USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=17 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 Set 1.1: A 24 LYS NZ :NH3+ 140:sc= -0.0166 (180deg=0) USER MOD Set 1.2: A 25 LYS NZ :NH3+ 152:sc= -0.558 (180deg=-1.01) USER MOD Single : A 2 LYS NZ :NH3+ -136:sc= 0.398 (180deg=-0.188) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.518 USER MOD Single : A 11 ASN : amide:sc=-0.00185 K(o=-0.0018,f=-0.8) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= 0.00838 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 MET CE :methyl -123:sc= -2.11 (180deg=-5.78!) USER MOD Single : A 44 GLN : amide:sc= -0.124 K(o=-0.12,f=-1.6!) USER MOD Single : A 47 ASN : amide:sc= -3.96! C(o=-4!,f=-9.5!) USER MOD Single : A 50 ASN : amide:sc= -0.0613 K(o=-0.061,f=-3.5!) USER MOD Single : A 51 THR OG1 : rot -35:sc= 0.126 USER MOD Single : A 54 GLN : amide:sc= -0.913 K(o=-0.91,f=-2!) USER MOD Single : A 60 TYR OH : rot 180:sc= -0.14 USER MOD Single : A 61 HIS : no HD1:sc= -0.0912 K(o=-0.091,f=-1.1) USER MOD Single : A 65 CYS SG : rot 180:sc= -0.0838 USER MOD Single : A 69 TYR OH : rot 179:sc= -1.57 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+ 180:sc= 0 (180deg=0) 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= -0.711 X(o=-0.71,f=-0.48) USER MOD ----------------------------------------------------------------- ATOM 57 N LYS A 2 15.080 7.148 -2.794 1.00 0.00 N ATOM 58 CA LYS A 2 15.835 8.174 -3.504 1.00 0.00 C ATOM 59 C LYS A 2 17.335 7.913 -3.404 1.00 0.00 C ATOM 60 O LYS A 2 17.770 7.014 -2.685 1.00 0.00 O ATOM 61 CB LYS A 2 15.509 9.558 -2.939 1.00 0.00 C ATOM 62 CG LYS A 2 14.184 10.118 -3.427 1.00 0.00 C ATOM 63 CD LYS A 2 14.384 11.151 -4.523 1.00 0.00 C ATOM 64 CE LYS A 2 14.313 10.519 -5.904 1.00 0.00 C ATOM 65 NZ LYS A 2 12.926 10.106 -6.255 1.00 0.00 N ATOM 0 HA LYS A 2 15.547 8.140 -4.555 1.00 0.00 H new ATOM 0 HB2 LYS A 2 15.491 9.502 -1.851 1.00 0.00 H new ATOM 0 HB3 LYS A 2 16.308 10.249 -3.210 1.00 0.00 H new ATOM 0 HG2 LYS A 2 13.561 9.306 -3.801 1.00 0.00 H new ATOM 0 HG3 LYS A 2 13.650 10.571 -2.592 1.00 0.00 H new ATOM 0 HD2 LYS A 2 13.623 11.926 -4.437 1.00 0.00 H new ATOM 0 HD3 LYS A 2 15.351 11.638 -4.394 1.00 0.00 H new ATOM 0 HE2 LYS A 2 14.680 11.227 -6.647 1.00 0.00 H new ATOM 0 HE3 LYS A 2 14.971 9.650 -5.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 12.944 9.160 -6.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 12.342 10.084 -5.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 12.522 10.786 -6.930 1.00 0.00 H new ATOM 79 N GLU A 3 18.118 8.705 -4.129 1.00 0.00 N ATOM 80 CA GLU A 3 19.569 8.558 -4.121 1.00 0.00 C ATOM 81 C GLU A 3 20.254 9.920 -4.194 1.00 0.00 C ATOM 82 O GLU A 3 19.748 10.848 -4.826 1.00 0.00 O ATOM 83 CB GLU A 3 20.022 7.683 -5.291 1.00 0.00 C ATOM 84 CG GLU A 3 19.892 8.362 -6.645 1.00 0.00 C ATOM 85 CD GLU A 3 19.906 7.375 -7.796 1.00 0.00 C ATOM 86 OE1 GLU A 3 18.867 6.725 -8.034 1.00 0.00 O ATOM 87 OE2 GLU A 3 20.958 7.253 -8.459 1.00 0.00 O ATOM 0 H GLU A 3 17.773 9.454 -4.729 1.00 0.00 H new ATOM 0 HA GLU A 3 19.855 8.077 -3.186 1.00 0.00 H new ATOM 0 HB2 GLU A 3 21.062 7.395 -5.137 1.00 0.00 H new ATOM 0 HB3 GLU A 3 19.434 6.765 -5.296 1.00 0.00 H new ATOM 0 HG2 GLU A 3 18.965 8.934 -6.673 1.00 0.00 H new ATOM 0 HG3 GLU A 3 20.709 9.073 -6.771 1.00 0.00 H new ATOM 94 N ILE A 4 21.407 10.031 -3.544 1.00 0.00 N ATOM 95 CA ILE A 4 22.162 11.278 -3.535 1.00 0.00 C ATOM 96 C ILE A 4 23.443 11.151 -4.353 1.00 0.00 C ATOM 97 O ILE A 4 24.149 10.146 -4.267 1.00 0.00 O ATOM 98 CB ILE A 4 22.522 11.709 -2.101 1.00 0.00 C ATOM 99 CG1 ILE A 4 22.903 13.190 -2.071 1.00 0.00 C ATOM 100 CG2 ILE A 4 23.658 10.853 -1.561 1.00 0.00 C ATOM 101 CD1 ILE A 4 24.368 13.443 -2.346 1.00 0.00 C ATOM 0 H ILE A 4 21.839 9.272 -3.016 1.00 0.00 H new ATOM 0 HA ILE A 4 21.521 12.038 -3.983 1.00 0.00 H new ATOM 0 HB ILE A 4 21.650 11.565 -1.464 1.00 0.00 H new ATOM 0 HG12 ILE A 4 22.306 13.725 -2.809 1.00 0.00 H new ATOM 0 HG13 ILE A 4 22.648 13.602 -1.095 1.00 0.00 H new ATOM 0 HG21 ILE A 4 23.901 11.169 -0.547 1.00 0.00 H new ATOM 0 HG22 ILE A 4 23.352 9.807 -1.551 1.00 0.00 H new ATOM 0 HG23 ILE A 4 24.535 10.969 -2.198 1.00 0.00 H new ATOM 0 HD11 ILE A 4 24.565 14.514 -2.309 1.00 0.00 H new ATOM 0 HD12 ILE A 4 24.972 12.936 -1.594 1.00 0.00 H new ATOM 0 HD13 ILE A 4 24.624 13.061 -3.334 1.00 0.00 H new ATOM 113 N ILE A 5 23.738 12.177 -5.144 1.00 0.00 N ATOM 114 CA ILE A 5 24.935 12.181 -5.975 1.00 0.00 C ATOM 115 C ILE A 5 25.727 13.471 -5.791 1.00 0.00 C ATOM 116 O ILE A 5 25.156 14.532 -5.536 1.00 0.00 O ATOM 117 CB ILE A 5 24.587 12.013 -7.465 1.00 0.00 C ATOM 118 CG1 ILE A 5 23.482 10.970 -7.639 1.00 0.00 C ATOM 119 CG2 ILE A 5 25.825 11.618 -8.257 1.00 0.00 C ATOM 120 CD1 ILE A 5 23.139 10.688 -9.085 1.00 0.00 C ATOM 0 H ILE A 5 23.164 13.016 -5.227 1.00 0.00 H new ATOM 0 HA ILE A 5 25.544 11.335 -5.656 1.00 0.00 H new ATOM 0 HB ILE A 5 24.224 12.967 -7.847 1.00 0.00 H new ATOM 0 HG12 ILE A 5 23.792 10.041 -7.160 1.00 0.00 H new ATOM 0 HG13 ILE A 5 22.586 11.312 -7.122 1.00 0.00 H new ATOM 0 HG21 ILE A 5 25.563 11.503 -9.309 1.00 0.00 H new ATOM 0 HG22 ILE A 5 26.585 12.393 -8.155 1.00 0.00 H new ATOM 0 HG23 ILE A 5 26.216 10.675 -7.875 1.00 0.00 H new ATOM 0 HD11 ILE A 5 22.348 9.939 -9.132 1.00 0.00 H new ATOM 0 HD12 ILE A 5 22.798 11.606 -9.564 1.00 0.00 H new ATOM 0 HD13 ILE A 5 24.023 10.315 -9.603 1.00 0.00 H new ATOM 132 N LEU A 6 27.045 13.374 -5.924 1.00 0.00 N ATOM 133 CA LEU A 6 27.917 14.534 -5.774 1.00 0.00 C ATOM 134 C LEU A 6 28.623 14.857 -7.087 1.00 0.00 C ATOM 135 O LEU A 6 29.067 13.959 -7.803 1.00 0.00 O ATOM 136 CB LEU A 6 28.951 14.282 -4.675 1.00 0.00 C ATOM 137 CG LEU A 6 28.487 13.414 -3.505 1.00 0.00 C ATOM 138 CD1 LEU A 6 29.666 13.034 -2.622 1.00 0.00 C ATOM 139 CD2 LEU A 6 27.422 14.136 -2.693 1.00 0.00 C ATOM 0 H LEU A 6 27.534 12.504 -6.135 1.00 0.00 H new ATOM 0 HA LEU A 6 27.300 15.388 -5.494 1.00 0.00 H new ATOM 0 HB2 LEU A 6 29.825 13.812 -5.126 1.00 0.00 H new ATOM 0 HB3 LEU A 6 29.275 15.245 -4.281 1.00 0.00 H new ATOM 0 HG LEU A 6 28.050 12.500 -3.907 1.00 0.00 H new ATOM 0 HD11 LEU A 6 29.317 12.416 -1.795 1.00 0.00 H new ATOM 0 HD12 LEU A 6 30.395 12.476 -3.209 1.00 0.00 H new ATOM 0 HD13 LEU A 6 30.132 13.937 -2.229 1.00 0.00 H new ATOM 0 HD21 LEU A 6 27.104 13.503 -1.865 1.00 0.00 H new ATOM 0 HD22 LEU A 6 27.832 15.067 -2.301 1.00 0.00 H new ATOM 0 HD23 LEU A 6 26.566 14.357 -3.330 1.00 0.00 H new ATOM 151 N TYR A 7 28.725 16.145 -7.397 1.00 0.00 N ATOM 152 CA TYR A 7 29.377 16.587 -8.624 1.00 0.00 C ATOM 153 C TYR A 7 30.519 17.550 -8.317 1.00 0.00 C ATOM 154 O TYR A 7 30.294 18.706 -7.956 1.00 0.00 O ATOM 155 CB TYR A 7 28.363 17.259 -9.551 1.00 0.00 C ATOM 156 CG TYR A 7 27.371 16.297 -10.164 1.00 0.00 C ATOM 157 CD1 TYR A 7 27.764 15.396 -11.146 1.00 0.00 C ATOM 158 CD2 TYR A 7 26.042 16.287 -9.760 1.00 0.00 C ATOM 159 CE1 TYR A 7 26.861 14.515 -11.709 1.00 0.00 C ATOM 160 CE2 TYR A 7 25.132 15.409 -10.316 1.00 0.00 C ATOM 161 CZ TYR A 7 25.547 14.525 -11.291 1.00 0.00 C ATOM 162 OH TYR A 7 24.644 13.648 -11.849 1.00 0.00 O ATOM 0 H TYR A 7 28.364 16.901 -6.815 1.00 0.00 H new ATOM 0 HA TYR A 7 29.790 15.710 -9.123 1.00 0.00 H new ATOM 0 HB2 TYR A 7 27.820 18.020 -8.990 1.00 0.00 H new ATOM 0 HB3 TYR A 7 28.898 17.773 -10.349 1.00 0.00 H new ATOM 0 HD1 TYR A 7 28.793 15.384 -11.475 1.00 0.00 H new ATOM 0 HD2 TYR A 7 25.714 16.978 -8.997 1.00 0.00 H new ATOM 0 HE1 TYR A 7 27.183 13.822 -12.472 1.00 0.00 H new ATOM 0 HE2 TYR A 7 24.102 15.414 -9.990 1.00 0.00 H new ATOM 0 HH TYR A 7 23.762 13.784 -11.443 1.00 0.00 H new ATOM 172 N THR A 8 31.749 17.066 -8.463 1.00 0.00 N ATOM 173 CA THR A 8 32.928 17.881 -8.202 1.00 0.00 C ATOM 174 C THR A 8 34.207 17.119 -8.527 1.00 0.00 C ATOM 175 O THR A 8 34.161 15.976 -8.982 1.00 0.00 O ATOM 176 CB THR A 8 32.978 18.342 -6.733 1.00 0.00 C ATOM 177 OG1 THR A 8 31.991 17.643 -5.966 1.00 0.00 O ATOM 178 CG2 THR A 8 32.741 19.841 -6.627 1.00 0.00 C ATOM 0 H THR A 8 31.954 16.112 -8.761 1.00 0.00 H new ATOM 0 HA THR A 8 32.856 18.756 -8.848 1.00 0.00 H new ATOM 0 HB THR A 8 33.969 18.118 -6.339 1.00 0.00 H new ATOM 0 HG1 THR A 8 32.030 17.941 -5.033 1.00 0.00 H new ATOM 0 HG21 THR A 8 32.781 20.143 -5.580 1.00 0.00 H new ATOM 0 HG22 THR A 8 33.511 20.372 -7.187 1.00 0.00 H new ATOM 0 HG23 THR A 8 31.761 20.084 -7.037 1.00 0.00 H new ATOM 186 N ARG A 9 35.348 17.758 -8.291 1.00 0.00 N ATOM 187 CA ARG A 9 36.640 17.139 -8.560 1.00 0.00 C ATOM 188 C ARG A 9 37.104 16.308 -7.367 1.00 0.00 C ATOM 189 O ARG A 9 36.687 16.524 -6.229 1.00 0.00 O ATOM 190 CB ARG A 9 37.684 18.209 -8.886 1.00 0.00 C ATOM 191 CG ARG A 9 37.748 19.330 -7.861 1.00 0.00 C ATOM 192 CD ARG A 9 38.996 20.179 -8.041 1.00 0.00 C ATOM 193 NE ARG A 9 38.673 21.584 -8.277 1.00 0.00 N ATOM 194 CZ ARG A 9 38.282 22.061 -9.453 1.00 0.00 C ATOM 195 NH1 ARG A 9 38.165 21.250 -10.495 1.00 0.00 N ATOM 196 NH2 ARG A 9 38.005 23.351 -9.589 1.00 0.00 N ATOM 0 H ARG A 9 35.404 18.704 -7.914 1.00 0.00 H new ATOM 0 HA ARG A 9 36.526 16.478 -9.419 1.00 0.00 H new ATOM 0 HB2 ARG A 9 38.664 17.738 -8.958 1.00 0.00 H new ATOM 0 HB3 ARG A 9 37.462 18.635 -9.864 1.00 0.00 H new ATOM 0 HG2 ARG A 9 36.863 19.959 -7.952 1.00 0.00 H new ATOM 0 HG3 ARG A 9 37.736 18.907 -6.856 1.00 0.00 H new ATOM 0 HD2 ARG A 9 39.623 20.095 -7.153 1.00 0.00 H new ATOM 0 HD3 ARG A 9 39.578 19.795 -8.879 1.00 0.00 H new ATOM 0 HE ARG A 9 38.752 22.235 -7.495 1.00 0.00 H new ATOM 0 HH11 ARG A 9 38.375 20.257 -10.395 1.00 0.00 H new ATOM 0 HH12 ARG A 9 37.864 21.619 -11.397 1.00 0.00 H new ATOM 0 HH21 ARG A 9 38.092 23.978 -8.790 1.00 0.00 H new ATOM 0 HH22 ARG A 9 37.705 23.716 -10.493 1.00 0.00 H new ATOM 210 N PRO A 10 37.986 15.333 -7.632 1.00 0.00 N ATOM 211 CA PRO A 10 38.525 14.450 -6.594 1.00 0.00 C ATOM 212 C PRO A 10 39.468 15.179 -5.644 1.00 0.00 C ATOM 213 O PRO A 10 39.900 14.624 -4.635 1.00 0.00 O ATOM 214 CB PRO A 10 39.286 13.388 -7.392 1.00 0.00 C ATOM 215 CG PRO A 10 39.647 14.061 -8.671 1.00 0.00 C ATOM 216 CD PRO A 10 38.526 15.019 -8.966 1.00 0.00 C ATOM 0 HA PRO A 10 37.739 14.043 -5.957 1.00 0.00 H new ATOM 0 HB2 PRO A 10 40.174 13.052 -6.857 1.00 0.00 H new ATOM 0 HB3 PRO A 10 38.668 12.508 -7.569 1.00 0.00 H new ATOM 0 HG2 PRO A 10 40.597 14.588 -8.580 1.00 0.00 H new ATOM 0 HG3 PRO A 10 39.761 13.334 -9.475 1.00 0.00 H new ATOM 0 HD2 PRO A 10 38.885 15.913 -9.475 1.00 0.00 H new ATOM 0 HD3 PRO A 10 37.771 14.568 -9.609 1.00 0.00 H new ATOM 224 N ASN A 11 39.784 16.427 -5.975 1.00 0.00 N ATOM 225 CA ASN A 11 40.677 17.234 -5.150 1.00 0.00 C ATOM 226 C ASN A 11 39.884 18.129 -4.203 1.00 0.00 C ATOM 227 O ASN A 11 40.147 19.327 -4.097 1.00 0.00 O ATOM 228 CB ASN A 11 41.589 18.088 -6.033 1.00 0.00 C ATOM 229 CG ASN A 11 42.889 18.451 -5.342 1.00 0.00 C ATOM 230 OD1 ASN A 11 42.912 18.721 -4.142 1.00 0.00 O ATOM 231 ND2 ASN A 11 43.980 18.458 -6.100 1.00 0.00 N ATOM 0 H ASN A 11 39.435 16.901 -6.808 1.00 0.00 H new ATOM 0 HA ASN A 11 41.289 16.557 -4.554 1.00 0.00 H new ATOM 0 HB2 ASN A 11 41.809 17.547 -6.954 1.00 0.00 H new ATOM 0 HB3 ASN A 11 41.065 19.000 -6.317 1.00 0.00 H new ATOM 0 HD21 ASN A 11 44.884 18.694 -5.691 1.00 0.00 H new ATOM 0 HD22 ASN A 11 43.914 18.227 -7.091 1.00 0.00 H new ATOM 238 N CYS A 12 38.910 17.539 -3.517 1.00 0.00 N ATOM 239 CA CYS A 12 38.077 18.281 -2.579 1.00 0.00 C ATOM 240 C CYS A 12 38.307 17.800 -1.149 1.00 0.00 C ATOM 241 O CYS A 12 37.705 16.829 -0.690 1.00 0.00 O ATOM 242 CB CYS A 12 36.600 18.133 -2.948 1.00 0.00 C ATOM 243 SG CYS A 12 36.068 16.410 -3.207 1.00 0.00 S ATOM 0 H CYS A 12 38.679 16.549 -3.594 1.00 0.00 H new ATOM 0 HA CYS A 12 38.355 19.333 -2.639 1.00 0.00 H new ATOM 0 HB2 CYS A 12 35.993 18.575 -2.158 1.00 0.00 H new ATOM 0 HB3 CYS A 12 36.404 18.703 -3.856 1.00 0.00 H new ATOM 248 N PRO A 13 39.199 18.495 -0.427 1.00 0.00 N ATOM 249 CA PRO A 13 39.528 18.158 0.961 1.00 0.00 C ATOM 250 C PRO A 13 38.378 18.452 1.918 1.00 0.00 C ATOM 251 O PRO A 13 38.432 18.099 3.096 1.00 0.00 O ATOM 252 CB PRO A 13 40.725 19.060 1.271 1.00 0.00 C ATOM 253 CG PRO A 13 40.579 20.215 0.341 1.00 0.00 C ATOM 254 CD PRO A 13 39.954 19.663 -0.910 1.00 0.00 C ATOM 0 HA PRO A 13 39.735 17.095 1.084 1.00 0.00 H new ATOM 0 HB2 PRO A 13 40.717 19.386 2.311 1.00 0.00 H new ATOM 0 HB3 PRO A 13 41.667 18.537 1.108 1.00 0.00 H new ATOM 0 HG2 PRO A 13 39.953 20.992 0.780 1.00 0.00 H new ATOM 0 HG3 PRO A 13 41.547 20.668 0.126 1.00 0.00 H new ATOM 0 HD2 PRO A 13 39.302 20.393 -1.389 1.00 0.00 H new ATOM 0 HD3 PRO A 13 40.708 19.379 -1.644 1.00 0.00 H new ATOM 262 N TYR A 14 37.338 19.099 1.404 1.00 0.00 N ATOM 263 CA TYR A 14 36.175 19.442 2.213 1.00 0.00 C ATOM 264 C TYR A 14 35.045 18.439 1.997 1.00 0.00 C ATOM 265 O TYR A 14 34.060 18.426 2.736 1.00 0.00 O ATOM 266 CB TYR A 14 35.690 20.853 1.876 1.00 0.00 C ATOM 267 CG TYR A 14 36.210 21.913 2.821 1.00 0.00 C ATOM 268 CD1 TYR A 14 35.752 21.989 4.130 1.00 0.00 C ATOM 269 CD2 TYR A 14 37.159 22.838 2.404 1.00 0.00 C ATOM 270 CE1 TYR A 14 36.223 22.957 4.996 1.00 0.00 C ATOM 271 CE2 TYR A 14 37.637 23.808 3.263 1.00 0.00 C ATOM 272 CZ TYR A 14 37.166 23.864 4.558 1.00 0.00 C ATOM 273 OH TYR A 14 37.638 24.828 5.419 1.00 0.00 O ATOM 0 H TYR A 14 37.277 19.397 0.430 1.00 0.00 H new ATOM 0 HA TYR A 14 36.472 19.408 3.261 1.00 0.00 H new ATOM 0 HB2 TYR A 14 35.998 21.101 0.860 1.00 0.00 H new ATOM 0 HB3 TYR A 14 34.600 20.867 1.891 1.00 0.00 H new ATOM 0 HD1 TYR A 14 35.015 21.279 4.477 1.00 0.00 H new ATOM 0 HD2 TYR A 14 37.529 22.798 1.390 1.00 0.00 H new ATOM 0 HE1 TYR A 14 35.855 23.003 6.010 1.00 0.00 H new ATOM 0 HE2 TYR A 14 38.375 24.519 2.923 1.00 0.00 H new ATOM 0 HH TYR A 14 38.297 25.386 4.956 1.00 0.00 H new ATOM 283 N CYS A 15 35.196 17.600 0.977 1.00 0.00 N ATOM 284 CA CYS A 15 34.190 16.592 0.661 1.00 0.00 C ATOM 285 C CYS A 15 33.894 15.719 1.877 1.00 0.00 C ATOM 286 O CYS A 15 32.807 15.153 2.000 1.00 0.00 O ATOM 287 CB CYS A 15 34.661 15.721 -0.505 1.00 0.00 C ATOM 288 SG CYS A 15 34.234 16.382 -2.147 1.00 0.00 S ATOM 0 H CYS A 15 36.005 17.598 0.356 1.00 0.00 H new ATOM 0 HA CYS A 15 33.273 17.106 0.374 1.00 0.00 H new ATOM 0 HB2 CYS A 15 35.743 15.603 -0.443 1.00 0.00 H new ATOM 0 HB3 CYS A 15 34.226 14.727 -0.401 1.00 0.00 H new ATOM 293 N LYS A 16 34.869 15.613 2.774 1.00 0.00 N ATOM 294 CA LYS A 16 34.714 14.811 3.981 1.00 0.00 C ATOM 295 C LYS A 16 33.417 15.160 4.704 1.00 0.00 C ATOM 296 O LYS A 16 32.766 14.291 5.284 1.00 0.00 O ATOM 297 CB LYS A 16 35.906 15.026 4.917 1.00 0.00 C ATOM 298 CG LYS A 16 37.235 14.605 4.315 1.00 0.00 C ATOM 299 CD LYS A 16 38.394 15.369 4.935 1.00 0.00 C ATOM 300 CE LYS A 16 38.987 14.619 6.118 1.00 0.00 C ATOM 301 NZ LYS A 16 40.061 13.678 5.696 1.00 0.00 N ATOM 0 H LYS A 16 35.775 16.073 2.687 1.00 0.00 H new ATOM 0 HA LYS A 16 34.674 13.762 3.688 1.00 0.00 H new ATOM 0 HB2 LYS A 16 35.958 16.080 5.190 1.00 0.00 H new ATOM 0 HB3 LYS A 16 35.740 14.466 5.838 1.00 0.00 H new ATOM 0 HG2 LYS A 16 37.381 13.535 4.465 1.00 0.00 H new ATOM 0 HG3 LYS A 16 37.219 14.777 3.239 1.00 0.00 H new ATOM 0 HD2 LYS A 16 39.166 15.534 4.183 1.00 0.00 H new ATOM 0 HD3 LYS A 16 38.051 16.351 5.260 1.00 0.00 H new ATOM 0 HE2 LYS A 16 39.391 15.333 6.835 1.00 0.00 H new ATOM 0 HE3 LYS A 16 38.199 14.065 6.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 40.439 13.186 6.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 39.670 12.980 5.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 40.825 14.209 5.231 1.00 0.00 H new ATOM 315 N ARG A 17 33.048 16.436 4.664 1.00 0.00 N ATOM 316 CA ARG A 17 31.828 16.899 5.316 1.00 0.00 C ATOM 317 C ARG A 17 30.596 16.265 4.676 1.00 0.00 C ATOM 318 O ARG A 17 29.733 15.726 5.368 1.00 0.00 O ATOM 319 CB ARG A 17 31.730 18.423 5.237 1.00 0.00 C ATOM 320 CG ARG A 17 32.725 19.145 6.132 1.00 0.00 C ATOM 321 CD ARG A 17 32.168 19.352 7.531 1.00 0.00 C ATOM 322 NE ARG A 17 33.171 19.888 8.446 1.00 0.00 N ATOM 323 CZ ARG A 17 34.202 19.184 8.901 1.00 0.00 C ATOM 324 NH1 ARG A 17 34.364 17.922 8.527 1.00 0.00 N ATOM 325 NH2 ARG A 17 35.074 19.742 9.731 1.00 0.00 N ATOM 0 H ARG A 17 33.576 17.167 4.187 1.00 0.00 H new ATOM 0 HA ARG A 17 31.868 16.598 6.363 1.00 0.00 H new ATOM 0 HB2 ARG A 17 31.889 18.736 4.205 1.00 0.00 H new ATOM 0 HB3 ARG A 17 30.720 18.728 5.511 1.00 0.00 H new ATOM 0 HG2 ARG A 17 33.649 18.570 6.189 1.00 0.00 H new ATOM 0 HG3 ARG A 17 32.977 20.110 5.693 1.00 0.00 H new ATOM 0 HD2 ARG A 17 31.318 20.033 7.486 1.00 0.00 H new ATOM 0 HD3 ARG A 17 31.796 18.403 7.917 1.00 0.00 H new ATOM 0 HE ARG A 17 33.075 20.856 8.753 1.00 0.00 H new ATOM 0 HH11 ARG A 17 33.696 17.490 7.889 1.00 0.00 H new ATOM 0 HH12 ARG A 17 35.156 17.384 8.878 1.00 0.00 H new ATOM 0 HH21 ARG A 17 34.953 20.713 10.021 1.00 0.00 H new ATOM 0 HH22 ARG A 17 35.865 19.200 10.079 1.00 0.00 H new ATOM 339 N ALA A 18 30.521 16.336 3.351 1.00 0.00 N ATOM 340 CA ALA A 18 29.396 15.769 2.618 1.00 0.00 C ATOM 341 C ALA A 18 29.261 14.275 2.891 1.00 0.00 C ATOM 342 O ALA A 18 28.198 13.802 3.295 1.00 0.00 O ATOM 343 CB ALA A 18 29.556 16.023 1.126 1.00 0.00 C ATOM 0 H ALA A 18 31.226 16.781 2.763 1.00 0.00 H new ATOM 0 HA ALA A 18 28.485 16.259 2.963 1.00 0.00 H new ATOM 0 HB1 ALA A 18 28.709 15.594 0.591 1.00 0.00 H new ATOM 0 HB2 ALA A 18 29.596 17.097 0.942 1.00 0.00 H new ATOM 0 HB3 ALA A 18 30.478 15.560 0.775 1.00 0.00 H new ATOM 349 N ARG A 19 30.343 13.537 2.666 1.00 0.00 N ATOM 350 CA ARG A 19 30.343 12.095 2.887 1.00 0.00 C ATOM 351 C ARG A 19 30.064 11.769 4.351 1.00 0.00 C ATOM 352 O ARG A 19 29.481 10.731 4.666 1.00 0.00 O ATOM 353 CB ARG A 19 31.686 11.494 2.466 1.00 0.00 C ATOM 354 CG ARG A 19 32.844 11.903 3.361 1.00 0.00 C ATOM 355 CD ARG A 19 34.169 11.377 2.833 1.00 0.00 C ATOM 356 NE ARG A 19 35.179 11.285 3.884 1.00 0.00 N ATOM 357 CZ ARG A 19 36.471 11.089 3.646 1.00 0.00 C ATOM 358 NH1 ARG A 19 36.908 10.965 2.400 1.00 0.00 N ATOM 359 NH2 ARG A 19 37.329 11.016 4.655 1.00 0.00 N ATOM 0 H ARG A 19 31.230 13.913 2.331 1.00 0.00 H new ATOM 0 HA ARG A 19 29.550 11.659 2.279 1.00 0.00 H new ATOM 0 HB2 ARG A 19 31.604 10.407 2.466 1.00 0.00 H new ATOM 0 HB3 ARG A 19 31.905 11.797 1.442 1.00 0.00 H new ATOM 0 HG2 ARG A 19 32.885 12.990 3.431 1.00 0.00 H new ATOM 0 HG3 ARG A 19 32.677 11.525 4.370 1.00 0.00 H new ATOM 0 HD2 ARG A 19 34.017 10.393 2.389 1.00 0.00 H new ATOM 0 HD3 ARG A 19 34.529 12.033 2.040 1.00 0.00 H new ATOM 0 HE ARG A 19 34.876 11.376 4.854 1.00 0.00 H new ATOM 0 HH11 ARG A 19 36.251 11.020 1.621 1.00 0.00 H new ATOM 0 HH12 ARG A 19 37.901 10.815 2.220 1.00 0.00 H new ATOM 0 HH21 ARG A 19 36.997 11.110 5.615 1.00 0.00 H new ATOM 0 HH22 ARG A 19 38.321 10.865 4.471 1.00 0.00 H new ATOM 373 N ASP A 20 30.485 12.661 5.241 1.00 0.00 N ATOM 374 CA ASP A 20 30.280 12.468 6.672 1.00 0.00 C ATOM 375 C ASP A 20 28.795 12.513 7.019 1.00 0.00 C ATOM 376 O ASP A 20 28.281 11.630 7.707 1.00 0.00 O ATOM 377 CB ASP A 20 31.034 13.537 7.465 1.00 0.00 C ATOM 378 CG ASP A 20 30.715 13.491 8.946 1.00 0.00 C ATOM 379 OD1 ASP A 20 29.736 14.145 9.363 1.00 0.00 O ATOM 380 OD2 ASP A 20 31.444 12.800 9.689 1.00 0.00 O ATOM 0 H ASP A 20 30.970 13.524 4.997 1.00 0.00 H new ATOM 0 HA ASP A 20 30.668 11.485 6.941 1.00 0.00 H new ATOM 0 HB2 ASP A 20 32.106 13.402 7.323 1.00 0.00 H new ATOM 0 HB3 ASP A 20 30.782 14.522 7.072 1.00 0.00 H new ATOM 385 N LEU A 21 28.112 13.546 6.540 1.00 0.00 N ATOM 386 CA LEU A 21 26.686 13.707 6.800 1.00 0.00 C ATOM 387 C LEU A 21 25.891 12.542 6.220 1.00 0.00 C ATOM 388 O LEU A 21 25.113 11.895 6.923 1.00 0.00 O ATOM 389 CB LEU A 21 26.184 15.026 6.208 1.00 0.00 C ATOM 390 CG LEU A 21 25.102 15.752 7.007 1.00 0.00 C ATOM 391 CD1 LEU A 21 25.694 16.939 7.751 1.00 0.00 C ATOM 392 CD2 LEU A 21 23.974 16.203 6.091 1.00 0.00 C ATOM 0 H LEU A 21 28.523 14.285 5.969 1.00 0.00 H new ATOM 0 HA LEU A 21 26.539 13.721 7.880 1.00 0.00 H new ATOM 0 HB2 LEU A 21 27.035 15.697 6.094 1.00 0.00 H new ATOM 0 HB3 LEU A 21 25.798 14.829 5.208 1.00 0.00 H new ATOM 0 HG LEU A 21 24.692 15.058 7.740 1.00 0.00 H new ATOM 0 HD11 LEU A 21 24.909 17.444 8.314 1.00 0.00 H new ATOM 0 HD12 LEU A 21 26.466 16.590 8.437 1.00 0.00 H new ATOM 0 HD13 LEU A 21 26.132 17.635 7.036 1.00 0.00 H new ATOM 0 HD21 LEU A 21 23.213 16.718 6.677 1.00 0.00 H new ATOM 0 HD22 LEU A 21 24.369 16.881 5.334 1.00 0.00 H new ATOM 0 HD23 LEU A 21 23.531 15.334 5.604 1.00 0.00 H new ATOM 404 N LEU A 22 26.094 12.276 4.934 1.00 0.00 N ATOM 405 CA LEU A 22 25.398 11.186 4.259 1.00 0.00 C ATOM 406 C LEU A 22 25.653 9.858 4.964 1.00 0.00 C ATOM 407 O LEU A 22 24.718 9.176 5.382 1.00 0.00 O ATOM 408 CB LEU A 22 25.846 11.097 2.799 1.00 0.00 C ATOM 409 CG LEU A 22 25.130 12.027 1.819 1.00 0.00 C ATOM 410 CD1 LEU A 22 24.626 13.270 2.535 1.00 0.00 C ATOM 411 CD2 LEU A 22 26.055 12.407 0.672 1.00 0.00 C ATOM 0 H LEU A 22 26.735 12.800 4.338 1.00 0.00 H new ATOM 0 HA LEU A 22 24.328 11.393 4.293 1.00 0.00 H new ATOM 0 HB2 LEU A 22 26.914 11.308 2.754 1.00 0.00 H new ATOM 0 HB3 LEU A 22 25.709 10.070 2.460 1.00 0.00 H new ATOM 0 HG LEU A 22 24.271 11.498 1.406 1.00 0.00 H new ATOM 0 HD11 LEU A 22 24.119 13.920 1.822 1.00 0.00 H new ATOM 0 HD12 LEU A 22 23.929 12.980 3.321 1.00 0.00 H new ATOM 0 HD13 LEU A 22 25.469 13.802 2.976 1.00 0.00 H new ATOM 0 HD21 LEU A 22 25.529 13.069 -0.016 1.00 0.00 H new ATOM 0 HD22 LEU A 22 26.933 12.918 1.067 1.00 0.00 H new ATOM 0 HD23 LEU A 22 26.366 11.507 0.142 1.00 0.00 H new ATOM 423 N ASP A 23 26.925 9.498 5.093 1.00 0.00 N ATOM 424 CA ASP A 23 27.305 8.253 5.751 1.00 0.00 C ATOM 425 C ASP A 23 26.737 8.191 7.165 1.00 0.00 C ATOM 426 O ASP A 23 26.208 7.163 7.589 1.00 0.00 O ATOM 427 CB ASP A 23 28.827 8.116 5.793 1.00 0.00 C ATOM 428 CG ASP A 23 29.273 6.766 6.317 1.00 0.00 C ATOM 429 OD1 ASP A 23 29.287 5.797 5.529 1.00 0.00 O ATOM 430 OD2 ASP A 23 29.610 6.677 7.517 1.00 0.00 O ATOM 0 H ASP A 23 27.711 10.051 4.751 1.00 0.00 H new ATOM 0 HA ASP A 23 26.890 7.426 5.175 1.00 0.00 H new ATOM 0 HB2 ASP A 23 29.230 8.265 4.791 1.00 0.00 H new ATOM 0 HB3 ASP A 23 29.242 8.902 6.423 1.00 0.00 H new ATOM 435 N LYS A 24 26.852 9.297 7.893 1.00 0.00 N ATOM 436 CA LYS A 24 26.350 9.370 9.260 1.00 0.00 C ATOM 437 C LYS A 24 24.870 9.005 9.317 1.00 0.00 C ATOM 438 O LYS A 24 24.427 8.304 10.226 1.00 0.00 O ATOM 439 CB LYS A 24 26.563 10.774 9.829 1.00 0.00 C ATOM 440 CG LYS A 24 26.059 10.936 11.253 1.00 0.00 C ATOM 441 CD LYS A 24 24.639 11.477 11.283 1.00 0.00 C ATOM 442 CE LYS A 24 24.278 12.016 12.659 1.00 0.00 C ATOM 443 NZ LYS A 24 22.840 11.800 12.979 1.00 0.00 N ATOM 0 H LYS A 24 27.289 10.156 7.558 1.00 0.00 H new ATOM 0 HA LYS A 24 26.906 8.652 9.863 1.00 0.00 H new ATOM 0 HB2 LYS A 24 27.626 11.011 9.800 1.00 0.00 H new ATOM 0 HB3 LYS A 24 26.057 11.497 9.189 1.00 0.00 H new ATOM 0 HG2 LYS A 24 26.094 9.974 11.764 1.00 0.00 H new ATOM 0 HG3 LYS A 24 26.718 11.611 11.799 1.00 0.00 H new ATOM 0 HD2 LYS A 24 24.534 12.269 10.542 1.00 0.00 H new ATOM 0 HD3 LYS A 24 23.941 10.687 11.006 1.00 0.00 H new ATOM 0 HE2 LYS A 24 24.895 11.528 13.414 1.00 0.00 H new ATOM 0 HE3 LYS A 24 24.504 13.081 12.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 22.744 11.522 13.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 22.311 12.680 12.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 22.458 11.047 12.371 1.00 0.00 H new ATOM 457 N LYS A 25 24.109 9.486 8.339 1.00 0.00 N ATOM 458 CA LYS A 25 22.679 9.209 8.275 1.00 0.00 C ATOM 459 C LYS A 25 22.423 7.754 7.897 1.00 0.00 C ATOM 460 O LYS A 25 21.447 7.150 8.341 1.00 0.00 O ATOM 461 CB LYS A 25 22.004 10.137 7.263 1.00 0.00 C ATOM 462 CG LYS A 25 21.434 11.401 7.882 1.00 0.00 C ATOM 463 CD LYS A 25 22.516 12.232 8.550 1.00 0.00 C ATOM 464 CE LYS A 25 21.921 13.314 9.438 1.00 0.00 C ATOM 465 NZ LYS A 25 21.102 12.738 10.540 1.00 0.00 N ATOM 0 H LYS A 25 24.459 10.070 7.580 1.00 0.00 H new ATOM 0 HA LYS A 25 22.255 9.389 9.263 1.00 0.00 H new ATOM 0 HB2 LYS A 25 22.728 10.413 6.496 1.00 0.00 H new ATOM 0 HB3 LYS A 25 21.202 9.594 6.763 1.00 0.00 H new ATOM 0 HG2 LYS A 25 20.942 11.995 7.111 1.00 0.00 H new ATOM 0 HG3 LYS A 25 20.672 11.136 8.616 1.00 0.00 H new ATOM 0 HD2 LYS A 25 23.158 11.583 9.146 1.00 0.00 H new ATOM 0 HD3 LYS A 25 23.146 12.691 7.788 1.00 0.00 H new ATOM 0 HE2 LYS A 25 22.723 13.920 9.860 1.00 0.00 H new ATOM 0 HE3 LYS A 25 21.303 13.979 8.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 21.110 13.386 11.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 20.124 12.605 10.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 21.499 11.820 10.824 1.00 0.00 H new ATOM 479 N GLY A 26 23.307 7.196 7.075 1.00 0.00 N ATOM 480 CA GLY A 26 23.158 5.816 6.652 1.00 0.00 C ATOM 481 C GLY A 26 22.595 5.696 5.250 1.00 0.00 C ATOM 482 O GLY A 26 21.605 4.998 5.028 1.00 0.00 O ATOM 0 H GLY A 26 24.123 7.675 6.695 1.00 0.00 H new ATOM 0 HA2 GLY A 26 24.128 5.320 6.694 1.00 0.00 H new ATOM 0 HA3 GLY A 26 22.502 5.294 7.349 1.00 0.00 H new ATOM 486 N VAL A 27 23.225 6.380 4.300 1.00 0.00 N ATOM 487 CA VAL A 27 22.780 6.348 2.912 1.00 0.00 C ATOM 488 C VAL A 27 23.936 6.026 1.972 1.00 0.00 C ATOM 489 O VAL A 27 25.056 5.766 2.413 1.00 0.00 O ATOM 490 CB VAL A 27 22.151 7.690 2.493 1.00 0.00 C ATOM 491 CG1 VAL A 27 21.094 8.121 3.498 1.00 0.00 C ATOM 492 CG2 VAL A 27 23.224 8.758 2.345 1.00 0.00 C ATOM 0 H VAL A 27 24.045 6.963 4.466 1.00 0.00 H new ATOM 0 HA VAL A 27 22.027 5.564 2.839 1.00 0.00 H new ATOM 0 HB VAL A 27 21.666 7.558 1.526 1.00 0.00 H new ATOM 0 HG11 VAL A 27 20.661 9.071 3.185 1.00 0.00 H new ATOM 0 HG12 VAL A 27 20.311 7.364 3.549 1.00 0.00 H new ATOM 0 HG13 VAL A 27 21.552 8.237 4.480 1.00 0.00 H new ATOM 0 HG21 VAL A 27 22.762 9.700 2.049 1.00 0.00 H new ATOM 0 HG22 VAL A 27 23.739 8.890 3.296 1.00 0.00 H new ATOM 0 HG23 VAL A 27 23.941 8.450 1.584 1.00 0.00 H new ATOM 502 N LYS A 28 23.658 6.044 0.673 1.00 0.00 N ATOM 503 CA LYS A 28 24.674 5.756 -0.332 1.00 0.00 C ATOM 504 C LYS A 28 24.824 6.922 -1.304 1.00 0.00 C ATOM 505 O LYS A 28 23.936 7.184 -2.116 1.00 0.00 O ATOM 506 CB LYS A 28 24.316 4.481 -1.099 1.00 0.00 C ATOM 507 CG LYS A 28 25.087 3.257 -0.639 1.00 0.00 C ATOM 508 CD LYS A 28 26.499 3.243 -1.202 1.00 0.00 C ATOM 509 CE LYS A 28 26.580 2.426 -2.482 1.00 0.00 C ATOM 510 NZ LYS A 28 27.782 2.777 -3.289 1.00 0.00 N ATOM 0 H LYS A 28 22.736 6.255 0.291 1.00 0.00 H new ATOM 0 HA LYS A 28 25.625 5.609 0.181 1.00 0.00 H new ATOM 0 HB2 LYS A 28 23.248 4.289 -0.990 1.00 0.00 H new ATOM 0 HB3 LYS A 28 24.505 4.641 -2.161 1.00 0.00 H new ATOM 0 HG2 LYS A 28 25.128 3.240 0.450 1.00 0.00 H new ATOM 0 HG3 LYS A 28 24.561 2.355 -0.952 1.00 0.00 H new ATOM 0 HD2 LYS A 28 26.823 4.265 -1.400 1.00 0.00 H new ATOM 0 HD3 LYS A 28 27.183 2.829 -0.461 1.00 0.00 H new ATOM 0 HE2 LYS A 28 26.606 1.365 -2.234 1.00 0.00 H new ATOM 0 HE3 LYS A 28 25.682 2.593 -3.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 27.801 2.199 -4.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 27.745 3.784 -3.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 28.640 2.594 -2.731 1.00 0.00 H new ATOM 524 N TYR A 29 25.953 7.617 -1.217 1.00 0.00 N ATOM 525 CA TYR A 29 26.218 8.756 -2.089 1.00 0.00 C ATOM 526 C TYR A 29 27.144 8.360 -3.235 1.00 0.00 C ATOM 527 O TYR A 29 28.080 7.581 -3.053 1.00 0.00 O ATOM 528 CB TYR A 29 26.839 9.903 -1.290 1.00 0.00 C ATOM 529 CG TYR A 29 28.276 9.654 -0.891 1.00 0.00 C ATOM 530 CD1 TYR A 29 29.321 9.978 -1.747 1.00 0.00 C ATOM 531 CD2 TYR A 29 28.589 9.095 0.342 1.00 0.00 C ATOM 532 CE1 TYR A 29 30.636 9.752 -1.387 1.00 0.00 C ATOM 533 CE2 TYR A 29 29.900 8.867 0.711 1.00 0.00 C ATOM 534 CZ TYR A 29 30.920 9.197 -0.157 1.00 0.00 C ATOM 535 OH TYR A 29 32.228 8.970 0.206 1.00 0.00 O ATOM 0 H TYR A 29 26.699 7.412 -0.552 1.00 0.00 H new ATOM 0 HA TYR A 29 25.269 9.088 -2.510 1.00 0.00 H new ATOM 0 HB2 TYR A 29 26.788 10.817 -1.882 1.00 0.00 H new ATOM 0 HB3 TYR A 29 26.245 10.072 -0.392 1.00 0.00 H new ATOM 0 HD1 TYR A 29 29.102 10.414 -2.710 1.00 0.00 H new ATOM 0 HD2 TYR A 29 27.793 8.834 1.024 1.00 0.00 H new ATOM 0 HE1 TYR A 29 31.437 10.009 -2.065 1.00 0.00 H new ATOM 0 HE2 TYR A 29 30.125 8.433 1.674 1.00 0.00 H new ATOM 0 HH TYR A 29 32.255 8.576 1.103 1.00 0.00 H new ATOM 545 N THR A 30 26.875 8.903 -4.419 1.00 0.00 N ATOM 546 CA THR A 30 27.682 8.608 -5.596 1.00 0.00 C ATOM 547 C THR A 30 28.498 9.823 -6.022 1.00 0.00 C ATOM 548 O THR A 30 27.948 10.816 -6.497 1.00 0.00 O ATOM 549 CB THR A 30 26.805 8.152 -6.778 1.00 0.00 C ATOM 550 OG1 THR A 30 26.165 6.911 -6.463 1.00 0.00 O ATOM 551 CG2 THR A 30 27.639 7.993 -8.040 1.00 0.00 C ATOM 0 H THR A 30 26.104 9.549 -4.587 1.00 0.00 H new ATOM 0 HA THR A 30 28.358 7.798 -5.321 1.00 0.00 H new ATOM 0 HB THR A 30 26.048 8.915 -6.956 1.00 0.00 H new ATOM 0 HG1 THR A 30 25.608 6.629 -7.219 1.00 0.00 H new ATOM 0 HG21 THR A 30 26.999 7.670 -8.861 1.00 0.00 H new ATOM 0 HG22 THR A 30 28.101 8.947 -8.293 1.00 0.00 H new ATOM 0 HG23 THR A 30 28.416 7.247 -7.871 1.00 0.00 H new ATOM 559 N ASP A 31 29.812 9.737 -5.849 1.00 0.00 N ATOM 560 CA ASP A 31 30.705 10.829 -6.218 1.00 0.00 C ATOM 561 C ASP A 31 30.940 10.854 -7.725 1.00 0.00 C ATOM 562 O ASP A 31 31.143 9.812 -8.349 1.00 0.00 O ATOM 563 CB ASP A 31 32.040 10.695 -5.484 1.00 0.00 C ATOM 564 CG ASP A 31 33.146 11.495 -6.143 1.00 0.00 C ATOM 565 OD1 ASP A 31 33.177 12.730 -5.959 1.00 0.00 O ATOM 566 OD2 ASP A 31 33.982 10.886 -6.843 1.00 0.00 O ATOM 0 H ASP A 31 30.283 8.922 -5.455 1.00 0.00 H new ATOM 0 HA ASP A 31 30.231 11.766 -5.927 1.00 0.00 H new ATOM 0 HB2 ASP A 31 31.919 11.028 -4.453 1.00 0.00 H new ATOM 0 HB3 ASP A 31 32.328 9.644 -5.448 1.00 0.00 H new ATOM 571 N ILE A 32 30.909 12.050 -8.304 1.00 0.00 N ATOM 572 CA ILE A 32 31.119 12.209 -9.738 1.00 0.00 C ATOM 573 C ILE A 32 32.309 13.119 -10.021 1.00 0.00 C ATOM 574 O ILE A 32 32.331 14.278 -9.606 1.00 0.00 O ATOM 575 CB ILE A 32 29.869 12.787 -10.428 1.00 0.00 C ATOM 576 CG1 ILE A 32 28.656 11.892 -10.168 1.00 0.00 C ATOM 577 CG2 ILE A 32 30.112 12.939 -11.922 1.00 0.00 C ATOM 578 CD1 ILE A 32 28.768 10.523 -10.801 1.00 0.00 C ATOM 0 H ILE A 32 30.741 12.922 -7.803 1.00 0.00 H new ATOM 0 HA ILE A 32 31.320 11.216 -10.141 1.00 0.00 H new ATOM 0 HB ILE A 32 29.665 13.773 -10.011 1.00 0.00 H new ATOM 0 HG12 ILE A 32 28.524 11.776 -9.092 1.00 0.00 H new ATOM 0 HG13 ILE A 32 27.762 12.387 -10.547 1.00 0.00 H new ATOM 0 HG21 ILE A 32 29.220 13.348 -12.396 1.00 0.00 H new ATOM 0 HG22 ILE A 32 30.953 13.613 -12.087 1.00 0.00 H new ATOM 0 HG23 ILE A 32 30.338 11.964 -12.355 1.00 0.00 H new ATOM 0 HD11 ILE A 32 27.873 9.943 -10.575 1.00 0.00 H new ATOM 0 HD12 ILE A 32 28.869 10.629 -11.881 1.00 0.00 H new ATOM 0 HD13 ILE A 32 29.643 10.009 -10.403 1.00 0.00 H new ATOM 590 N ASP A 33 33.297 12.587 -10.732 1.00 0.00 N ATOM 591 CA ASP A 33 34.491 13.352 -11.075 1.00 0.00 C ATOM 592 C ASP A 33 34.124 14.611 -11.854 1.00 0.00 C ATOM 593 O ASP A 33 33.189 14.608 -12.653 1.00 0.00 O ATOM 594 CB ASP A 33 35.455 12.493 -11.894 1.00 0.00 C ATOM 595 CG ASP A 33 35.972 11.299 -11.115 1.00 0.00 C ATOM 596 OD1 ASP A 33 36.985 11.451 -10.402 1.00 0.00 O ATOM 597 OD2 ASP A 33 35.364 10.213 -11.220 1.00 0.00 O ATOM 0 H ASP A 33 33.295 11.629 -11.082 1.00 0.00 H new ATOM 0 HA ASP A 33 34.981 13.650 -10.148 1.00 0.00 H new ATOM 0 HB2 ASP A 33 34.950 12.144 -12.795 1.00 0.00 H new ATOM 0 HB3 ASP A 33 36.297 13.105 -12.217 1.00 0.00 H new ATOM 602 N ALA A 34 34.867 15.686 -11.614 1.00 0.00 N ATOM 603 CA ALA A 34 34.621 16.952 -12.293 1.00 0.00 C ATOM 604 C ALA A 34 35.141 16.916 -13.726 1.00 0.00 C ATOM 605 O ALA A 34 35.996 17.716 -14.106 1.00 0.00 O ATOM 606 CB ALA A 34 35.264 18.097 -11.525 1.00 0.00 C ATOM 0 H ALA A 34 35.645 15.705 -10.954 1.00 0.00 H new ATOM 0 HA ALA A 34 33.544 17.113 -12.329 1.00 0.00 H new ATOM 0 HB1 ALA A 34 35.072 19.036 -12.044 1.00 0.00 H new ATOM 0 HB2 ALA A 34 34.842 18.144 -10.521 1.00 0.00 H new ATOM 0 HB3 ALA A 34 36.339 17.932 -11.459 1.00 0.00 H new ATOM 612 N SER A 35 34.621 15.983 -14.517 1.00 0.00 N ATOM 613 CA SER A 35 35.037 15.841 -15.907 1.00 0.00 C ATOM 614 C SER A 35 33.829 15.854 -16.840 1.00 0.00 C ATOM 615 O SER A 35 33.082 14.878 -16.922 1.00 0.00 O ATOM 616 CB SER A 35 35.826 14.544 -16.095 1.00 0.00 C ATOM 617 OG SER A 35 36.707 14.321 -15.008 1.00 0.00 O ATOM 0 H SER A 35 33.911 15.314 -14.219 1.00 0.00 H new ATOM 0 HA SER A 35 35.677 16.687 -16.157 1.00 0.00 H new ATOM 0 HB2 SER A 35 35.136 13.705 -16.186 1.00 0.00 H new ATOM 0 HB3 SER A 35 36.394 14.592 -17.024 1.00 0.00 H new ATOM 0 HG SER A 35 37.198 13.485 -15.151 1.00 0.00 H new ATOM 623 N THR A 36 33.643 16.968 -17.541 1.00 0.00 N ATOM 624 CA THR A 36 32.526 17.110 -18.467 1.00 0.00 C ATOM 625 C THR A 36 32.397 15.886 -19.365 1.00 0.00 C ATOM 626 O THR A 36 31.302 15.545 -19.812 1.00 0.00 O ATOM 627 CB THR A 36 32.683 18.365 -19.346 1.00 0.00 C ATOM 628 OG1 THR A 36 34.060 18.555 -19.688 1.00 0.00 O ATOM 629 CG2 THR A 36 32.158 19.599 -18.628 1.00 0.00 C ATOM 0 H THR A 36 34.251 17.785 -17.485 1.00 0.00 H new ATOM 0 HA THR A 36 31.624 17.209 -17.863 1.00 0.00 H new ATOM 0 HB THR A 36 32.100 18.219 -20.256 1.00 0.00 H new ATOM 0 HG1 THR A 36 34.151 19.354 -20.248 1.00 0.00 H new ATOM 0 HG21 THR A 36 32.280 20.472 -19.269 1.00 0.00 H new ATOM 0 HG22 THR A 36 31.102 19.463 -18.396 1.00 0.00 H new ATOM 0 HG23 THR A 36 32.716 19.747 -17.703 1.00 0.00 H new ATOM 637 N SER A 37 33.522 15.228 -19.626 1.00 0.00 N ATOM 638 CA SER A 37 33.535 14.042 -20.475 1.00 0.00 C ATOM 639 C SER A 37 32.432 13.070 -20.067 1.00 0.00 C ATOM 640 O SER A 37 31.884 12.348 -20.901 1.00 0.00 O ATOM 641 CB SER A 37 34.896 13.349 -20.398 1.00 0.00 C ATOM 642 OG SER A 37 35.233 12.747 -21.637 1.00 0.00 O ATOM 0 H SER A 37 34.436 15.496 -19.262 1.00 0.00 H new ATOM 0 HA SER A 37 33.354 14.358 -21.502 1.00 0.00 H new ATOM 0 HB2 SER A 37 35.662 14.074 -20.122 1.00 0.00 H new ATOM 0 HB3 SER A 37 34.878 12.591 -19.615 1.00 0.00 H new ATOM 0 HG SER A 37 36.108 12.312 -21.562 1.00 0.00 H new ATOM 648 N LEU A 38 32.112 13.056 -18.777 1.00 0.00 N ATOM 649 CA LEU A 38 31.075 12.173 -18.256 1.00 0.00 C ATOM 650 C LEU A 38 30.080 12.948 -17.398 1.00 0.00 C ATOM 651 O LEU A 38 28.876 12.696 -17.445 1.00 0.00 O ATOM 652 CB LEU A 38 31.703 11.045 -17.436 1.00 0.00 C ATOM 653 CG LEU A 38 31.593 9.640 -18.031 1.00 0.00 C ATOM 654 CD1 LEU A 38 30.157 9.146 -17.969 1.00 0.00 C ATOM 655 CD2 LEU A 38 32.103 9.628 -19.465 1.00 0.00 C ATOM 0 H LEU A 38 32.556 13.646 -18.073 1.00 0.00 H new ATOM 0 HA LEU A 38 30.539 11.744 -19.102 1.00 0.00 H new ATOM 0 HB2 LEU A 38 32.759 11.274 -17.289 1.00 0.00 H new ATOM 0 HB3 LEU A 38 31.238 11.038 -16.450 1.00 0.00 H new ATOM 0 HG LEU A 38 32.213 8.965 -17.441 1.00 0.00 H new ATOM 0 HD11 LEU A 38 30.098 8.145 -18.397 1.00 0.00 H new ATOM 0 HD12 LEU A 38 29.827 9.117 -16.931 1.00 0.00 H new ATOM 0 HD13 LEU A 38 29.515 9.821 -18.535 1.00 0.00 H new ATOM 0 HD21 LEU A 38 32.018 8.621 -19.873 1.00 0.00 H new ATOM 0 HD22 LEU A 38 31.510 10.315 -20.068 1.00 0.00 H new ATOM 0 HD23 LEU A 38 33.148 9.939 -19.482 1.00 0.00 H new ATOM 667 N ARG A 39 30.592 13.893 -16.616 1.00 0.00 N ATOM 668 CA ARG A 39 29.749 14.706 -15.748 1.00 0.00 C ATOM 669 C ARG A 39 28.688 15.446 -16.558 1.00 0.00 C ATOM 670 O ARG A 39 27.576 15.671 -16.082 1.00 0.00 O ATOM 671 CB ARG A 39 30.600 15.708 -14.966 1.00 0.00 C ATOM 672 CG ARG A 39 29.975 16.144 -13.652 1.00 0.00 C ATOM 673 CD ARG A 39 30.395 17.556 -13.276 1.00 0.00 C ATOM 674 NE ARG A 39 29.479 18.561 -13.810 1.00 0.00 N ATOM 675 CZ ARG A 39 29.801 19.840 -13.966 1.00 0.00 C ATOM 676 NH1 ARG A 39 31.010 20.268 -13.632 1.00 0.00 N ATOM 677 NH2 ARG A 39 28.912 20.693 -14.458 1.00 0.00 N ATOM 0 H ARG A 39 31.586 14.114 -16.566 1.00 0.00 H new ATOM 0 HA ARG A 39 29.247 14.041 -15.045 1.00 0.00 H new ATOM 0 HB2 ARG A 39 31.575 15.264 -14.765 1.00 0.00 H new ATOM 0 HB3 ARG A 39 30.772 16.588 -15.586 1.00 0.00 H new ATOM 0 HG2 ARG A 39 28.889 16.095 -13.731 1.00 0.00 H new ATOM 0 HG3 ARG A 39 30.269 15.453 -12.861 1.00 0.00 H new ATOM 0 HD2 ARG A 39 30.437 17.645 -12.190 1.00 0.00 H new ATOM 0 HD3 ARG A 39 31.401 17.747 -13.651 1.00 0.00 H new ATOM 0 HE ARG A 39 28.541 18.264 -14.078 1.00 0.00 H new ATOM 0 HH11 ARG A 39 31.696 19.615 -13.254 1.00 0.00 H new ATOM 0 HH12 ARG A 39 31.255 21.251 -13.753 1.00 0.00 H new ATOM 0 HH21 ARG A 39 27.981 20.367 -14.717 1.00 0.00 H new ATOM 0 HH22 ARG A 39 29.160 21.675 -14.578 1.00 0.00 H new ATOM 691 N GLN A 40 29.042 15.822 -17.783 1.00 0.00 N ATOM 692 CA GLN A 40 28.121 16.537 -18.658 1.00 0.00 C ATOM 693 C GLN A 40 26.896 15.685 -18.972 1.00 0.00 C ATOM 694 O GLN A 40 25.766 16.173 -18.943 1.00 0.00 O ATOM 695 CB GLN A 40 28.825 16.938 -19.956 1.00 0.00 C ATOM 696 CG GLN A 40 28.044 17.943 -20.786 1.00 0.00 C ATOM 697 CD GLN A 40 28.903 18.633 -21.827 1.00 0.00 C ATOM 698 OE1 GLN A 40 29.352 18.011 -22.790 1.00 0.00 O ATOM 699 NE2 GLN A 40 29.136 19.927 -21.639 1.00 0.00 N ATOM 0 H GLN A 40 29.959 15.643 -18.191 1.00 0.00 H new ATOM 0 HA GLN A 40 27.791 17.437 -18.139 1.00 0.00 H new ATOM 0 HB2 GLN A 40 29.801 17.359 -19.715 1.00 0.00 H new ATOM 0 HB3 GLN A 40 29.002 16.044 -20.555 1.00 0.00 H new ATOM 0 HG2 GLN A 40 27.217 17.435 -21.282 1.00 0.00 H new ATOM 0 HG3 GLN A 40 27.607 18.693 -20.126 1.00 0.00 H new ATOM 0 HE21 GLN A 40 28.744 20.403 -20.827 1.00 0.00 H new ATOM 0 HE22 GLN A 40 29.707 20.445 -22.307 1.00 0.00 H new ATOM 708 N GLU A 41 27.128 14.411 -19.273 1.00 0.00 N ATOM 709 CA GLU A 41 26.042 13.493 -19.593 1.00 0.00 C ATOM 710 C GLU A 41 25.203 13.189 -18.355 1.00 0.00 C ATOM 711 O GLU A 41 23.974 13.193 -18.409 1.00 0.00 O ATOM 712 CB GLU A 41 26.599 12.193 -20.177 1.00 0.00 C ATOM 713 CG GLU A 41 27.753 12.405 -21.143 1.00 0.00 C ATOM 714 CD GLU A 41 28.018 11.190 -22.011 1.00 0.00 C ATOM 715 OE1 GLU A 41 28.357 10.126 -21.453 1.00 0.00 O ATOM 716 OE2 GLU A 41 27.886 11.304 -23.248 1.00 0.00 O ATOM 0 H GLU A 41 28.057 13.992 -19.302 1.00 0.00 H new ATOM 0 HA GLU A 41 25.403 13.972 -20.335 1.00 0.00 H new ATOM 0 HB2 GLU A 41 26.932 11.552 -19.361 1.00 0.00 H new ATOM 0 HB3 GLU A 41 25.798 11.663 -20.692 1.00 0.00 H new ATOM 0 HG2 GLU A 41 27.535 13.262 -21.781 1.00 0.00 H new ATOM 0 HG3 GLU A 41 28.654 12.648 -20.579 1.00 0.00 H new ATOM 723 N MET A 42 25.878 12.924 -17.241 1.00 0.00 N ATOM 724 CA MET A 42 25.196 12.618 -15.989 1.00 0.00 C ATOM 725 C MET A 42 24.374 13.811 -15.512 1.00 0.00 C ATOM 726 O MET A 42 23.182 13.684 -15.232 1.00 0.00 O ATOM 727 CB MET A 42 26.210 12.221 -14.914 1.00 0.00 C ATOM 728 CG MET A 42 25.859 10.928 -14.196 1.00 0.00 C ATOM 729 SD MET A 42 26.812 9.520 -14.795 1.00 0.00 S ATOM 730 CE MET A 42 28.466 9.993 -14.298 1.00 0.00 C ATOM 0 H MET A 42 26.896 12.915 -17.180 1.00 0.00 H new ATOM 0 HA MET A 42 24.521 11.781 -16.168 1.00 0.00 H new ATOM 0 HB2 MET A 42 27.193 12.116 -15.374 1.00 0.00 H new ATOM 0 HB3 MET A 42 26.285 13.025 -14.182 1.00 0.00 H new ATOM 0 HG2 MET A 42 26.034 11.052 -13.127 1.00 0.00 H new ATOM 0 HG3 MET A 42 24.796 10.723 -14.324 1.00 0.00 H new ATOM 0 HE1 MET A 42 29.117 10.014 -15.172 1.00 0.00 H new ATOM 0 HE2 MET A 42 28.440 10.983 -13.842 1.00 0.00 H new ATOM 0 HE3 MET A 42 28.850 9.271 -13.577 1.00 0.00 H new ATOM 740 N VAL A 43 25.018 14.971 -15.422 1.00 0.00 N ATOM 741 CA VAL A 43 24.346 16.187 -14.980 1.00 0.00 C ATOM 742 C VAL A 43 23.223 16.573 -15.937 1.00 0.00 C ATOM 743 O VAL A 43 22.205 17.125 -15.522 1.00 0.00 O ATOM 744 CB VAL A 43 25.333 17.363 -14.863 1.00 0.00 C ATOM 745 CG1 VAL A 43 25.715 17.879 -16.242 1.00 0.00 C ATOM 746 CG2 VAL A 43 24.737 18.476 -14.015 1.00 0.00 C ATOM 0 H VAL A 43 26.005 15.094 -15.650 1.00 0.00 H new ATOM 0 HA VAL A 43 23.925 15.977 -13.997 1.00 0.00 H new ATOM 0 HB VAL A 43 26.238 17.007 -14.371 1.00 0.00 H new ATOM 0 HG11 VAL A 43 26.413 18.710 -16.139 1.00 0.00 H new ATOM 0 HG12 VAL A 43 26.186 17.078 -16.813 1.00 0.00 H new ATOM 0 HG13 VAL A 43 24.821 18.219 -16.764 1.00 0.00 H new ATOM 0 HG21 VAL A 43 25.448 19.299 -13.943 1.00 0.00 H new ATOM 0 HG22 VAL A 43 23.816 18.832 -14.477 1.00 0.00 H new ATOM 0 HG23 VAL A 43 24.519 18.096 -13.017 1.00 0.00 H new ATOM 756 N GLN A 44 23.417 16.277 -17.218 1.00 0.00 N ATOM 757 CA GLN A 44 22.421 16.594 -18.234 1.00 0.00 C ATOM 758 C GLN A 44 21.146 15.785 -18.018 1.00 0.00 C ATOM 759 O GLN A 44 20.047 16.337 -17.979 1.00 0.00 O ATOM 760 CB GLN A 44 22.981 16.322 -19.631 1.00 0.00 C ATOM 761 CG GLN A 44 21.914 15.985 -20.660 1.00 0.00 C ATOM 762 CD GLN A 44 22.305 16.400 -22.064 1.00 0.00 C ATOM 763 OE1 GLN A 44 23.430 16.838 -22.304 1.00 0.00 O ATOM 764 NE2 GLN A 44 21.375 16.265 -23.002 1.00 0.00 N ATOM 0 H GLN A 44 24.254 15.818 -17.577 1.00 0.00 H new ATOM 0 HA GLN A 44 22.177 17.653 -18.148 1.00 0.00 H new ATOM 0 HB2 GLN A 44 23.535 17.198 -19.968 1.00 0.00 H new ATOM 0 HB3 GLN A 44 23.692 15.498 -19.574 1.00 0.00 H new ATOM 0 HG2 GLN A 44 21.724 14.912 -20.642 1.00 0.00 H new ATOM 0 HG3 GLN A 44 20.982 16.479 -20.386 1.00 0.00 H new ATOM 0 HE21 GLN A 44 20.455 15.897 -22.759 1.00 0.00 H new ATOM 0 HE22 GLN A 44 21.581 16.529 -23.966 1.00 0.00 H new ATOM 773 N ARG A 45 21.302 14.472 -17.878 1.00 0.00 N ATOM 774 CA ARG A 45 20.163 13.586 -17.667 1.00 0.00 C ATOM 775 C ARG A 45 19.696 13.637 -16.216 1.00 0.00 C ATOM 776 O ARG A 45 18.635 13.115 -15.876 1.00 0.00 O ATOM 777 CB ARG A 45 20.531 12.150 -18.046 1.00 0.00 C ATOM 778 CG ARG A 45 19.329 11.284 -18.386 1.00 0.00 C ATOM 779 CD ARG A 45 19.755 9.933 -18.940 1.00 0.00 C ATOM 780 NE ARG A 45 20.699 9.253 -18.058 1.00 0.00 N ATOM 781 CZ ARG A 45 21.497 8.267 -18.454 1.00 0.00 C ATOM 782 NH1 ARG A 45 21.464 7.849 -19.712 1.00 0.00 N ATOM 783 NH2 ARG A 45 22.329 7.697 -17.592 1.00 0.00 N ATOM 0 H ARG A 45 22.205 13.999 -17.907 1.00 0.00 H new ATOM 0 HA ARG A 45 19.347 13.925 -18.305 1.00 0.00 H new ATOM 0 HB2 ARG A 45 21.207 12.170 -18.901 1.00 0.00 H new ATOM 0 HB3 ARG A 45 21.076 11.693 -17.220 1.00 0.00 H new ATOM 0 HG2 ARG A 45 18.721 11.137 -17.493 1.00 0.00 H new ATOM 0 HG3 ARG A 45 18.704 11.798 -19.117 1.00 0.00 H new ATOM 0 HD2 ARG A 45 18.875 9.306 -19.082 1.00 0.00 H new ATOM 0 HD3 ARG A 45 20.210 10.071 -19.921 1.00 0.00 H new ATOM 0 HE ARG A 45 20.749 9.551 -17.084 1.00 0.00 H new ATOM 0 HH11 ARG A 45 20.825 8.284 -20.378 1.00 0.00 H new ATOM 0 HH12 ARG A 45 22.077 7.092 -20.014 1.00 0.00 H new ATOM 0 HH21 ARG A 45 22.357 8.015 -16.623 1.00 0.00 H new ATOM 0 HH22 ARG A 45 22.941 6.940 -17.898 1.00 0.00 H new ATOM 797 N ALA A 46 20.496 14.270 -15.364 1.00 0.00 N ATOM 798 CA ALA A 46 20.164 14.391 -13.950 1.00 0.00 C ATOM 799 C ALA A 46 19.231 15.572 -13.704 1.00 0.00 C ATOM 800 O ALA A 46 18.283 15.475 -12.926 1.00 0.00 O ATOM 801 CB ALA A 46 21.431 14.535 -13.120 1.00 0.00 C ATOM 0 H ALA A 46 21.379 14.707 -15.629 1.00 0.00 H new ATOM 0 HA ALA A 46 19.645 13.482 -13.645 1.00 0.00 H new ATOM 0 HB1 ALA A 46 21.167 14.624 -12.066 1.00 0.00 H new ATOM 0 HB2 ALA A 46 22.061 13.657 -13.263 1.00 0.00 H new ATOM 0 HB3 ALA A 46 21.973 15.427 -13.435 1.00 0.00 H new ATOM 807 N ASN A 47 19.507 16.687 -14.372 1.00 0.00 N ATOM 808 CA ASN A 47 18.693 17.888 -14.225 1.00 0.00 C ATOM 809 C ASN A 47 18.334 18.472 -15.588 1.00 0.00 C ATOM 810 O ASN A 47 17.232 18.984 -15.785 1.00 0.00 O ATOM 811 CB ASN A 47 19.434 18.933 -13.388 1.00 0.00 C ATOM 812 CG ASN A 47 20.811 19.246 -13.942 1.00 0.00 C ATOM 813 OD1 ASN A 47 21.812 18.678 -13.505 1.00 0.00 O ATOM 814 ND2 ASN A 47 20.867 20.154 -14.910 1.00 0.00 N ATOM 0 H ASN A 47 20.288 16.784 -15.021 1.00 0.00 H new ATOM 0 HA ASN A 47 17.771 17.611 -13.714 1.00 0.00 H new ATOM 0 HB2 ASN A 47 18.844 19.849 -13.349 1.00 0.00 H new ATOM 0 HB3 ASN A 47 19.531 18.573 -12.364 1.00 0.00 H new ATOM 0 HD21 ASN A 47 21.766 20.406 -15.322 1.00 0.00 H new ATOM 0 HD22 ASN A 47 20.011 20.600 -15.241 1.00 0.00 H new ATOM 821 N GLY A 48 19.273 18.392 -16.526 1.00 0.00 N ATOM 822 CA GLY A 48 19.036 18.916 -17.858 1.00 0.00 C ATOM 823 C GLY A 48 20.306 19.413 -18.519 1.00 0.00 C ATOM 824 O GLY A 48 20.655 18.977 -19.617 1.00 0.00 O ATOM 0 H GLY A 48 20.193 17.974 -16.387 1.00 0.00 H new ATOM 0 HA2 GLY A 48 18.588 18.138 -18.477 1.00 0.00 H new ATOM 0 HA3 GLY A 48 18.316 19.732 -17.801 1.00 0.00 H new ATOM 828 N ARG A 49 20.999 20.330 -17.852 1.00 0.00 N ATOM 829 CA ARG A 49 22.236 20.890 -18.383 1.00 0.00 C ATOM 830 C ARG A 49 22.911 21.792 -17.354 1.00 0.00 C ATOM 831 O ARG A 49 22.305 22.738 -16.852 1.00 0.00 O ATOM 832 CB ARG A 49 21.956 21.679 -19.663 1.00 0.00 C ATOM 833 CG ARG A 49 23.186 22.359 -20.241 1.00 0.00 C ATOM 834 CD ARG A 49 22.811 23.372 -21.312 1.00 0.00 C ATOM 835 NE ARG A 49 22.111 22.750 -22.432 1.00 0.00 N ATOM 836 CZ ARG A 49 21.703 23.418 -23.506 1.00 0.00 C ATOM 837 NH1 ARG A 49 21.925 24.721 -23.604 1.00 0.00 N ATOM 838 NH2 ARG A 49 21.072 22.781 -24.484 1.00 0.00 N ATOM 0 H ARG A 49 20.725 20.701 -16.942 1.00 0.00 H new ATOM 0 HA ARG A 49 22.909 20.064 -18.613 1.00 0.00 H new ATOM 0 HB2 ARG A 49 21.539 21.005 -20.411 1.00 0.00 H new ATOM 0 HB3 ARG A 49 21.198 22.434 -19.456 1.00 0.00 H new ATOM 0 HG2 ARG A 49 23.736 22.858 -19.443 1.00 0.00 H new ATOM 0 HG3 ARG A 49 23.852 21.608 -20.666 1.00 0.00 H new ATOM 0 HD2 ARG A 49 22.180 24.145 -20.874 1.00 0.00 H new ATOM 0 HD3 ARG A 49 23.712 23.865 -21.676 1.00 0.00 H new ATOM 0 HE ARG A 49 21.925 21.748 -22.388 1.00 0.00 H new ATOM 0 HH11 ARG A 49 22.410 25.214 -22.854 1.00 0.00 H new ATOM 0 HH12 ARG A 49 21.611 25.231 -24.429 1.00 0.00 H new ATOM 0 HH21 ARG A 49 20.900 21.778 -24.412 1.00 0.00 H new ATOM 0 HH22 ARG A 49 20.759 23.294 -25.308 1.00 0.00 H new ATOM 852 N ASN A 50 24.168 21.492 -17.045 1.00 0.00 N ATOM 853 CA ASN A 50 24.925 22.275 -16.075 1.00 0.00 C ATOM 854 C ASN A 50 26.366 22.468 -16.538 1.00 0.00 C ATOM 855 O ASN A 50 26.794 21.886 -17.535 1.00 0.00 O ATOM 856 CB ASN A 50 24.904 21.589 -14.707 1.00 0.00 C ATOM 857 CG ASN A 50 24.972 22.581 -13.562 1.00 0.00 C ATOM 858 OD1 ASN A 50 24.973 23.794 -13.776 1.00 0.00 O ATOM 859 ND2 ASN A 50 25.030 22.069 -12.339 1.00 0.00 N ATOM 0 H ASN A 50 24.684 20.712 -17.452 1.00 0.00 H new ATOM 0 HA ASN A 50 24.455 23.255 -15.990 1.00 0.00 H new ATOM 0 HB2 ASN A 50 23.995 20.994 -14.616 1.00 0.00 H new ATOM 0 HB3 ASN A 50 25.745 20.899 -14.637 1.00 0.00 H new ATOM 0 HD21 ASN A 50 25.078 22.687 -11.529 1.00 0.00 H new ATOM 0 HD22 ASN A 50 25.027 21.057 -12.209 1.00 0.00 H new ATOM 866 N THR A 51 27.112 23.290 -15.805 1.00 0.00 N ATOM 867 CA THR A 51 28.504 23.561 -16.140 1.00 0.00 C ATOM 868 C THR A 51 29.273 24.066 -14.924 1.00 0.00 C ATOM 869 O THR A 51 30.218 24.845 -15.054 1.00 0.00 O ATOM 870 CB THR A 51 28.618 24.598 -17.273 1.00 0.00 C ATOM 871 OG1 THR A 51 27.632 24.337 -18.277 1.00 0.00 O ATOM 872 CG2 THR A 51 30.005 24.567 -17.897 1.00 0.00 C ATOM 0 H THR A 51 26.775 23.779 -14.976 1.00 0.00 H new ATOM 0 HA THR A 51 28.938 22.619 -16.476 1.00 0.00 H new ATOM 0 HB THR A 51 28.450 25.588 -16.848 1.00 0.00 H new ATOM 0 HG1 THR A 51 27.503 23.370 -18.365 1.00 0.00 H new ATOM 0 HG21 THR A 51 30.062 25.308 -18.695 1.00 0.00 H new ATOM 0 HG22 THR A 51 30.751 24.795 -17.136 1.00 0.00 H new ATOM 0 HG23 THR A 51 30.197 23.576 -18.308 1.00 0.00 H new ATOM 880 N PHE A 52 28.864 23.617 -13.742 1.00 0.00 N ATOM 881 CA PHE A 52 29.515 24.024 -12.503 1.00 0.00 C ATOM 882 C PHE A 52 29.386 22.938 -11.439 1.00 0.00 C ATOM 883 O PHE A 52 28.434 22.158 -11.424 1.00 0.00 O ATOM 884 CB PHE A 52 28.909 25.331 -11.989 1.00 0.00 C ATOM 885 CG PHE A 52 29.401 26.548 -12.719 1.00 0.00 C ATOM 886 CD1 PHE A 52 28.742 27.008 -13.848 1.00 0.00 C ATOM 887 CD2 PHE A 52 30.522 27.232 -12.277 1.00 0.00 C ATOM 888 CE1 PHE A 52 29.192 28.127 -14.523 1.00 0.00 C ATOM 889 CE2 PHE A 52 30.976 28.352 -12.947 1.00 0.00 C ATOM 890 CZ PHE A 52 30.311 28.800 -14.072 1.00 0.00 C ATOM 0 H PHE A 52 28.085 22.971 -13.616 1.00 0.00 H new ATOM 0 HA PHE A 52 30.573 24.180 -12.712 1.00 0.00 H new ATOM 0 HB2 PHE A 52 27.824 25.278 -12.077 1.00 0.00 H new ATOM 0 HB3 PHE A 52 29.138 25.436 -10.929 1.00 0.00 H new ATOM 0 HD1 PHE A 52 27.866 26.486 -14.205 1.00 0.00 H new ATOM 0 HD2 PHE A 52 31.047 26.886 -11.399 1.00 0.00 H new ATOM 0 HE1 PHE A 52 28.670 28.475 -15.402 1.00 0.00 H new ATOM 0 HE2 PHE A 52 31.850 28.877 -12.591 1.00 0.00 H new ATOM 0 HZ PHE A 52 30.665 29.674 -14.598 1.00 0.00 H new ATOM 900 N PRO A 53 30.368 22.884 -10.527 1.00 0.00 N ATOM 901 CA PRO A 53 30.389 21.899 -9.442 1.00 0.00 C ATOM 902 C PRO A 53 29.304 22.158 -8.402 1.00 0.00 C ATOM 903 O PRO A 53 28.988 23.308 -8.096 1.00 0.00 O ATOM 904 CB PRO A 53 31.777 22.080 -8.823 1.00 0.00 C ATOM 905 CG PRO A 53 32.155 23.485 -9.147 1.00 0.00 C ATOM 906 CD PRO A 53 31.534 23.783 -10.484 1.00 0.00 C ATOM 0 HA PRO A 53 30.199 20.889 -9.806 1.00 0.00 H new ATOM 0 HB2 PRO A 53 31.755 21.914 -7.746 1.00 0.00 H new ATOM 0 HB3 PRO A 53 32.492 21.371 -9.240 1.00 0.00 H new ATOM 0 HG2 PRO A 53 31.789 24.173 -8.385 1.00 0.00 H new ATOM 0 HG3 PRO A 53 33.238 23.599 -9.186 1.00 0.00 H new ATOM 0 HD2 PRO A 53 31.238 24.829 -10.565 1.00 0.00 H new ATOM 0 HD3 PRO A 53 32.226 23.583 -11.302 1.00 0.00 H new ATOM 914 N GLN A 54 28.737 21.083 -7.863 1.00 0.00 N ATOM 915 CA GLN A 54 27.687 21.197 -6.858 1.00 0.00 C ATOM 916 C GLN A 54 27.244 19.819 -6.377 1.00 0.00 C ATOM 917 O GLN A 54 27.735 18.796 -6.854 1.00 0.00 O ATOM 918 CB GLN A 54 26.490 21.962 -7.424 1.00 0.00 C ATOM 919 CG GLN A 54 25.933 21.360 -8.704 1.00 0.00 C ATOM 920 CD GLN A 54 24.693 20.522 -8.464 1.00 0.00 C ATOM 921 OE1 GLN A 54 23.669 21.026 -8.002 1.00 0.00 O ATOM 922 NE2 GLN A 54 24.779 19.234 -8.777 1.00 0.00 N ATOM 0 H GLN A 54 28.987 20.124 -8.105 1.00 0.00 H new ATOM 0 HA GLN A 54 28.090 21.747 -6.008 1.00 0.00 H new ATOM 0 HB2 GLN A 54 25.701 21.992 -6.673 1.00 0.00 H new ATOM 0 HB3 GLN A 54 26.786 22.993 -7.616 1.00 0.00 H new ATOM 0 HG2 GLN A 54 25.696 22.161 -9.404 1.00 0.00 H new ATOM 0 HG3 GLN A 54 26.699 20.743 -9.174 1.00 0.00 H new ATOM 0 HE21 GLN A 54 25.648 18.859 -9.157 1.00 0.00 H new ATOM 0 HE22 GLN A 54 23.976 18.620 -8.637 1.00 0.00 H new ATOM 931 N ILE A 55 26.313 19.801 -5.429 1.00 0.00 N ATOM 932 CA ILE A 55 25.803 18.549 -4.884 1.00 0.00 C ATOM 933 C ILE A 55 24.392 18.264 -5.388 1.00 0.00 C ATOM 934 O ILE A 55 23.521 19.133 -5.352 1.00 0.00 O ATOM 935 CB ILE A 55 25.792 18.568 -3.344 1.00 0.00 C ATOM 936 CG1 ILE A 55 27.193 18.864 -2.805 1.00 0.00 C ATOM 937 CG2 ILE A 55 25.278 17.243 -2.801 1.00 0.00 C ATOM 938 CD1 ILE A 55 27.475 20.340 -2.631 1.00 0.00 C ATOM 0 H ILE A 55 25.897 20.639 -5.023 1.00 0.00 H new ATOM 0 HA ILE A 55 26.474 17.760 -5.225 1.00 0.00 H new ATOM 0 HB ILE A 55 25.121 19.359 -3.010 1.00 0.00 H new ATOM 0 HG12 ILE A 55 27.317 18.363 -1.845 1.00 0.00 H new ATOM 0 HG13 ILE A 55 27.932 18.439 -3.484 1.00 0.00 H new ATOM 0 HG21 ILE A 55 25.276 17.272 -1.711 1.00 0.00 H new ATOM 0 HG22 ILE A 55 24.264 17.071 -3.161 1.00 0.00 H new ATOM 0 HG23 ILE A 55 25.925 16.435 -3.141 1.00 0.00 H new ATOM 0 HD11 ILE A 55 28.486 20.474 -2.246 1.00 0.00 H new ATOM 0 HD12 ILE A 55 27.383 20.844 -3.593 1.00 0.00 H new ATOM 0 HD13 ILE A 55 26.759 20.767 -1.928 1.00 0.00 H new ATOM 950 N PHE A 56 24.173 17.039 -5.856 1.00 0.00 N ATOM 951 CA PHE A 56 22.868 16.638 -6.366 1.00 0.00 C ATOM 952 C PHE A 56 22.126 15.777 -5.348 1.00 0.00 C ATOM 953 O PHE A 56 22.706 14.874 -4.744 1.00 0.00 O ATOM 954 CB PHE A 56 23.024 15.873 -7.682 1.00 0.00 C ATOM 955 CG PHE A 56 21.908 16.120 -8.656 1.00 0.00 C ATOM 956 CD1 PHE A 56 20.688 15.479 -8.510 1.00 0.00 C ATOM 957 CD2 PHE A 56 22.078 16.995 -9.717 1.00 0.00 C ATOM 958 CE1 PHE A 56 19.660 15.705 -9.406 1.00 0.00 C ATOM 959 CE2 PHE A 56 21.053 17.225 -10.616 1.00 0.00 C ATOM 960 CZ PHE A 56 19.843 16.580 -10.459 1.00 0.00 C ATOM 0 H PHE A 56 24.883 16.307 -5.892 1.00 0.00 H new ATOM 0 HA PHE A 56 22.284 17.540 -6.546 1.00 0.00 H new ATOM 0 HB2 PHE A 56 23.969 16.154 -8.146 1.00 0.00 H new ATOM 0 HB3 PHE A 56 23.079 14.806 -7.468 1.00 0.00 H new ATOM 0 HD1 PHE A 56 20.539 14.795 -7.687 1.00 0.00 H new ATOM 0 HD2 PHE A 56 23.022 17.503 -9.843 1.00 0.00 H new ATOM 0 HE1 PHE A 56 18.714 15.198 -9.283 1.00 0.00 H new ATOM 0 HE2 PHE A 56 21.199 17.908 -11.440 1.00 0.00 H new ATOM 0 HZ PHE A 56 19.040 16.759 -11.159 1.00 0.00 H new ATOM 970 N ILE A 57 20.842 16.063 -5.164 1.00 0.00 N ATOM 971 CA ILE A 57 20.021 15.314 -4.220 1.00 0.00 C ATOM 972 C ILE A 57 18.800 14.715 -4.908 1.00 0.00 C ATOM 973 O ILE A 57 17.817 15.408 -5.166 1.00 0.00 O ATOM 974 CB ILE A 57 19.554 16.203 -3.052 1.00 0.00 C ATOM 975 CG1 ILE A 57 20.686 17.127 -2.601 1.00 0.00 C ATOM 976 CG2 ILE A 57 19.071 15.344 -1.893 1.00 0.00 C ATOM 977 CD1 ILE A 57 21.916 16.388 -2.123 1.00 0.00 C ATOM 0 H ILE A 57 20.347 16.807 -5.656 1.00 0.00 H new ATOM 0 HA ILE A 57 20.644 14.510 -3.828 1.00 0.00 H new ATOM 0 HB ILE A 57 18.722 16.819 -3.394 1.00 0.00 H new ATOM 0 HG12 ILE A 57 20.963 17.779 -3.429 1.00 0.00 H new ATOM 0 HG13 ILE A 57 20.322 17.768 -1.798 1.00 0.00 H new ATOM 0 HG21 ILE A 57 18.744 15.987 -1.075 1.00 0.00 H new ATOM 0 HG22 ILE A 57 18.237 14.724 -2.222 1.00 0.00 H new ATOM 0 HG23 ILE A 57 19.885 14.705 -1.550 1.00 0.00 H new ATOM 0 HD11 ILE A 57 22.677 17.107 -1.819 1.00 0.00 H new ATOM 0 HD12 ILE A 57 21.654 15.756 -1.274 1.00 0.00 H new ATOM 0 HD13 ILE A 57 22.305 15.768 -2.931 1.00 0.00 H new ATOM 989 N GLY A 58 18.869 13.420 -5.202 1.00 0.00 N ATOM 990 CA GLY A 58 17.762 12.748 -5.857 1.00 0.00 C ATOM 991 C GLY A 58 17.316 13.459 -7.119 1.00 0.00 C ATOM 992 O GLY A 58 17.955 13.342 -8.164 1.00 0.00 O ATOM 0 H GLY A 58 19.672 12.825 -4.998 1.00 0.00 H new ATOM 0 HA2 GLY A 58 18.055 11.727 -6.103 1.00 0.00 H new ATOM 0 HA3 GLY A 58 16.922 12.680 -5.166 1.00 0.00 H new ATOM 996 N ASP A 59 16.215 14.197 -7.022 1.00 0.00 N ATOM 997 CA ASP A 59 15.684 14.930 -8.166 1.00 0.00 C ATOM 998 C ASP A 59 15.758 16.435 -7.928 1.00 0.00 C ATOM 999 O ASP A 59 14.863 17.182 -8.326 1.00 0.00 O ATOM 1000 CB ASP A 59 14.237 14.515 -8.436 1.00 0.00 C ATOM 1001 CG ASP A 59 14.046 13.012 -8.381 1.00 0.00 C ATOM 1002 OD1 ASP A 59 14.911 12.284 -8.910 1.00 0.00 O ATOM 1003 OD2 ASP A 59 13.030 12.564 -7.809 1.00 0.00 O ATOM 0 H ASP A 59 15.674 14.303 -6.164 1.00 0.00 H new ATOM 0 HA ASP A 59 16.293 14.687 -9.037 1.00 0.00 H new ATOM 0 HB2 ASP A 59 13.584 14.988 -7.703 1.00 0.00 H new ATOM 0 HB3 ASP A 59 13.934 14.881 -9.417 1.00 0.00 H new ATOM 1008 N TYR A 60 16.830 16.874 -7.277 1.00 0.00 N ATOM 1009 CA TYR A 60 17.019 18.290 -6.984 1.00 0.00 C ATOM 1010 C TYR A 60 18.502 18.647 -6.961 1.00 0.00 C ATOM 1011 O TYR A 60 19.344 17.832 -6.582 1.00 0.00 O ATOM 1012 CB TYR A 60 16.377 18.644 -5.642 1.00 0.00 C ATOM 1013 CG TYR A 60 16.959 19.884 -5.001 1.00 0.00 C ATOM 1014 CD1 TYR A 60 16.600 21.152 -5.443 1.00 0.00 C ATOM 1015 CD2 TYR A 60 17.868 19.788 -3.955 1.00 0.00 C ATOM 1016 CE1 TYR A 60 17.129 22.287 -4.861 1.00 0.00 C ATOM 1017 CE2 TYR A 60 18.401 20.919 -3.366 1.00 0.00 C ATOM 1018 CZ TYR A 60 18.029 22.166 -3.823 1.00 0.00 C ATOM 1019 OH TYR A 60 18.559 23.294 -3.240 1.00 0.00 O ATOM 0 H TYR A 60 17.581 16.270 -6.942 1.00 0.00 H new ATOM 0 HA TYR A 60 16.537 18.867 -7.773 1.00 0.00 H new ATOM 0 HB2 TYR A 60 15.307 18.789 -5.788 1.00 0.00 H new ATOM 0 HB3 TYR A 60 16.495 17.803 -4.959 1.00 0.00 H new ATOM 0 HD1 TYR A 60 15.895 21.251 -6.255 1.00 0.00 H new ATOM 0 HD2 TYR A 60 18.163 18.813 -3.596 1.00 0.00 H new ATOM 0 HE1 TYR A 60 16.839 23.265 -5.217 1.00 0.00 H new ATOM 0 HE2 TYR A 60 19.105 20.827 -2.552 1.00 0.00 H new ATOM 0 HH TYR A 60 19.175 23.033 -2.524 1.00 0.00 H new ATOM 1029 N HIS A 61 18.815 19.873 -7.370 1.00 0.00 N ATOM 1030 CA HIS A 61 20.196 20.341 -7.396 1.00 0.00 C ATOM 1031 C HIS A 61 20.432 21.398 -6.321 1.00 0.00 C ATOM 1032 O HIS A 61 19.805 22.457 -6.329 1.00 0.00 O ATOM 1033 CB HIS A 61 20.537 20.913 -8.773 1.00 0.00 C ATOM 1034 CG HIS A 61 19.551 21.929 -9.260 1.00 0.00 C ATOM 1035 ND1 HIS A 61 18.337 21.592 -9.820 1.00 0.00 N ATOM 1036 CD2 HIS A 61 19.604 23.282 -9.268 1.00 0.00 C ATOM 1037 CE1 HIS A 61 17.687 22.693 -10.153 1.00 0.00 C ATOM 1038 NE2 HIS A 61 18.434 23.732 -9.828 1.00 0.00 N ATOM 0 H HIS A 61 18.131 20.560 -7.688 1.00 0.00 H new ATOM 0 HA HIS A 61 20.846 19.490 -7.193 1.00 0.00 H new ATOM 0 HB2 HIS A 61 21.526 21.369 -8.733 1.00 0.00 H new ATOM 0 HB3 HIS A 61 20.591 20.097 -9.493 1.00 0.00 H new ATOM 0 HD2 HIS A 61 20.416 23.893 -8.902 1.00 0.00 H new ATOM 0 HE1 HIS A 61 16.711 22.736 -10.613 1.00 0.00 H new ATOM 0 HE2 HIS A 61 18.183 24.710 -9.970 1.00 0.00 H new ATOM 1046 N VAL A 62 21.340 21.102 -5.396 1.00 0.00 N ATOM 1047 CA VAL A 62 21.659 22.026 -4.315 1.00 0.00 C ATOM 1048 C VAL A 62 22.459 23.218 -4.828 1.00 0.00 C ATOM 1049 O VAL A 62 21.932 24.322 -4.962 1.00 0.00 O ATOM 1050 CB VAL A 62 22.457 21.329 -3.197 1.00 0.00 C ATOM 1051 CG1 VAL A 62 22.840 22.324 -2.113 1.00 0.00 C ATOM 1052 CG2 VAL A 62 21.658 20.173 -2.614 1.00 0.00 C ATOM 0 H VAL A 62 21.867 20.229 -5.374 1.00 0.00 H new ATOM 0 HA VAL A 62 20.710 22.377 -3.909 1.00 0.00 H new ATOM 0 HB VAL A 62 23.375 20.927 -3.626 1.00 0.00 H new ATOM 0 HG11 VAL A 62 23.403 21.813 -1.332 1.00 0.00 H new ATOM 0 HG12 VAL A 62 23.454 23.114 -2.545 1.00 0.00 H new ATOM 0 HG13 VAL A 62 21.938 22.760 -1.684 1.00 0.00 H new ATOM 0 HG21 VAL A 62 22.237 19.692 -1.826 1.00 0.00 H new ATOM 0 HG22 VAL A 62 20.723 20.550 -2.199 1.00 0.00 H new ATOM 0 HG23 VAL A 62 21.441 19.448 -3.399 1.00 0.00 H new ATOM 1062 N GLY A 63 23.736 22.987 -5.115 1.00 0.00 N ATOM 1063 CA GLY A 63 24.589 24.051 -5.612 1.00 0.00 C ATOM 1064 C GLY A 63 25.868 24.191 -4.809 1.00 0.00 C ATOM 1065 O GLY A 63 26.957 24.279 -5.373 1.00 0.00 O ATOM 0 H GLY A 63 24.195 22.082 -5.012 1.00 0.00 H new ATOM 0 HA2 GLY A 63 24.838 23.856 -6.655 1.00 0.00 H new ATOM 0 HA3 GLY A 63 24.042 24.993 -5.586 1.00 0.00 H new ATOM 1069 N GLY A 64 25.734 24.215 -3.486 1.00 0.00 N ATOM 1070 CA GLY A 64 26.896 24.348 -2.626 1.00 0.00 C ATOM 1071 C GLY A 64 26.862 23.387 -1.454 1.00 0.00 C ATOM 1072 O GLY A 64 25.796 23.094 -0.913 1.00 0.00 O ATOM 0 H GLY A 64 24.843 24.145 -2.995 1.00 0.00 H new ATOM 0 HA2 GLY A 64 27.799 24.172 -3.210 1.00 0.00 H new ATOM 0 HA3 GLY A 64 26.953 25.370 -2.252 1.00 0.00 H new ATOM 1076 N CYS A 65 28.032 22.894 -1.063 1.00 0.00 N ATOM 1077 CA CYS A 65 28.133 21.957 0.051 1.00 0.00 C ATOM 1078 C CYS A 65 27.715 22.621 1.359 1.00 0.00 C ATOM 1079 O CYS A 65 27.096 21.991 2.217 1.00 0.00 O ATOM 1080 CB CYS A 65 29.561 21.424 0.169 1.00 0.00 C ATOM 1081 SG CYS A 65 30.821 22.714 0.310 1.00 0.00 S ATOM 0 H CYS A 65 28.924 23.127 -1.500 1.00 0.00 H new ATOM 0 HA CYS A 65 27.458 21.124 -0.145 1.00 0.00 H new ATOM 0 HB2 CYS A 65 29.624 20.773 1.041 1.00 0.00 H new ATOM 0 HB3 CYS A 65 29.781 20.810 -0.704 1.00 0.00 H new ATOM 0 HG CYS A 65 31.995 22.165 0.407 1.00 0.00 H new ATOM 1087 N ASP A 66 28.059 23.896 1.505 1.00 0.00 N ATOM 1088 CA ASP A 66 27.721 24.646 2.709 1.00 0.00 C ATOM 1089 C ASP A 66 26.214 24.864 2.808 1.00 0.00 C ATOM 1090 O ASP A 66 25.670 25.027 3.901 1.00 0.00 O ATOM 1091 CB ASP A 66 28.445 25.993 2.718 1.00 0.00 C ATOM 1092 CG ASP A 66 28.129 26.813 3.953 1.00 0.00 C ATOM 1093 OD1 ASP A 66 28.094 26.231 5.057 1.00 0.00 O ATOM 1094 OD2 ASP A 66 27.915 28.036 3.815 1.00 0.00 O ATOM 0 H ASP A 66 28.572 24.432 0.805 1.00 0.00 H new ATOM 0 HA ASP A 66 28.044 24.064 3.572 1.00 0.00 H new ATOM 0 HB2 ASP A 66 29.520 25.824 2.663 1.00 0.00 H new ATOM 0 HB3 ASP A 66 28.165 26.558 1.829 1.00 0.00 H new ATOM 1099 N ASP A 67 25.546 24.867 1.660 1.00 0.00 N ATOM 1100 CA ASP A 67 24.101 25.065 1.617 1.00 0.00 C ATOM 1101 C ASP A 67 23.370 23.862 2.203 1.00 0.00 C ATOM 1102 O ASP A 67 22.341 24.009 2.863 1.00 0.00 O ATOM 1103 CB ASP A 67 23.641 25.307 0.178 1.00 0.00 C ATOM 1104 CG ASP A 67 23.475 26.780 -0.137 1.00 0.00 C ATOM 1105 OD1 ASP A 67 24.461 27.408 -0.577 1.00 0.00 O ATOM 1106 OD2 ASP A 67 22.359 27.305 0.055 1.00 0.00 O ATOM 0 H ASP A 67 25.981 24.735 0.747 1.00 0.00 H new ATOM 0 HA ASP A 67 23.861 25.941 2.219 1.00 0.00 H new ATOM 0 HB2 ASP A 67 24.365 24.871 -0.510 1.00 0.00 H new ATOM 0 HB3 ASP A 67 22.694 24.794 0.011 1.00 0.00 H new ATOM 1111 N LEU A 68 23.907 22.672 1.956 1.00 0.00 N ATOM 1112 CA LEU A 68 23.305 21.442 2.459 1.00 0.00 C ATOM 1113 C LEU A 68 23.458 21.340 3.973 1.00 0.00 C ATOM 1114 O LEU A 68 22.570 20.841 4.665 1.00 0.00 O ATOM 1115 CB LEU A 68 23.945 20.226 1.787 1.00 0.00 C ATOM 1116 CG LEU A 68 25.145 19.615 2.509 1.00 0.00 C ATOM 1117 CD1 LEU A 68 24.686 18.594 3.539 1.00 0.00 C ATOM 1118 CD2 LEU A 68 26.100 18.976 1.511 1.00 0.00 C ATOM 0 H LEU A 68 24.758 22.533 1.411 1.00 0.00 H new ATOM 0 HA LEU A 68 22.242 21.463 2.221 1.00 0.00 H new ATOM 0 HB2 LEU A 68 23.183 19.455 1.675 1.00 0.00 H new ATOM 0 HB3 LEU A 68 24.258 20.513 0.783 1.00 0.00 H new ATOM 0 HG LEU A 68 25.675 20.412 3.030 1.00 0.00 H new ATOM 0 HD11 LEU A 68 25.554 18.170 4.043 1.00 0.00 H new ATOM 0 HD12 LEU A 68 24.043 19.081 4.272 1.00 0.00 H new ATOM 0 HD13 LEU A 68 24.131 17.799 3.041 1.00 0.00 H new ATOM 0 HD21 LEU A 68 26.948 18.546 2.043 1.00 0.00 H new ATOM 0 HD22 LEU A 68 25.581 18.191 0.962 1.00 0.00 H new ATOM 0 HD23 LEU A 68 26.456 19.733 0.812 1.00 0.00 H new ATOM 1130 N TYR A 69 24.588 21.818 4.481 1.00 0.00 N ATOM 1131 CA TYR A 69 24.858 21.780 5.914 1.00 0.00 C ATOM 1132 C TYR A 69 23.980 22.780 6.660 1.00 0.00 C ATOM 1133 O TYR A 69 23.284 22.423 7.610 1.00 0.00 O ATOM 1134 CB TYR A 69 26.334 22.079 6.184 1.00 0.00 C ATOM 1135 CG TYR A 69 27.283 21.244 5.354 1.00 0.00 C ATOM 1136 CD1 TYR A 69 27.047 19.891 5.144 1.00 0.00 C ATOM 1137 CD2 TYR A 69 28.415 21.808 4.780 1.00 0.00 C ATOM 1138 CE1 TYR A 69 27.911 19.124 4.387 1.00 0.00 C ATOM 1139 CE2 TYR A 69 29.284 21.050 4.020 1.00 0.00 C ATOM 1140 CZ TYR A 69 29.028 19.708 3.827 1.00 0.00 C ATOM 1141 OH TYR A 69 29.892 18.949 3.071 1.00 0.00 O ATOM 0 H TYR A 69 25.332 22.236 3.922 1.00 0.00 H new ATOM 0 HA TYR A 69 24.625 20.779 6.276 1.00 0.00 H new ATOM 0 HB2 TYR A 69 26.524 23.134 5.987 1.00 0.00 H new ATOM 0 HB3 TYR A 69 26.543 21.909 7.240 1.00 0.00 H new ATOM 0 HD1 TYR A 69 26.173 19.431 5.580 1.00 0.00 H new ATOM 0 HD2 TYR A 69 28.619 22.858 4.931 1.00 0.00 H new ATOM 0 HE1 TYR A 69 27.713 18.073 4.235 1.00 0.00 H new ATOM 0 HE2 TYR A 69 30.159 21.505 3.579 1.00 0.00 H new ATOM 0 HH TYR A 69 30.618 19.516 2.736 1.00 0.00 H new ATOM 1151 N ALA A 70 24.019 24.034 6.222 1.00 0.00 N ATOM 1152 CA ALA A 70 23.226 25.086 6.846 1.00 0.00 C ATOM 1153 C ALA A 70 21.736 24.769 6.769 1.00 0.00 C ATOM 1154 O ALA A 70 21.011 24.901 7.755 1.00 0.00 O ATOM 1155 CB ALA A 70 23.517 26.426 6.188 1.00 0.00 C ATOM 0 H ALA A 70 24.591 24.346 5.437 1.00 0.00 H new ATOM 0 HA ALA A 70 23.505 25.142 7.898 1.00 0.00 H new ATOM 0 HB1 ALA A 70 22.918 27.203 6.664 1.00 0.00 H new ATOM 0 HB2 ALA A 70 24.575 26.664 6.300 1.00 0.00 H new ATOM 0 HB3 ALA A 70 23.267 26.373 5.128 1.00 0.00 H new ATOM 1161 N LEU A 71 21.285 24.351 5.591 1.00 0.00 N ATOM 1162 CA LEU A 71 19.881 24.015 5.385 1.00 0.00 C ATOM 1163 C LEU A 71 19.449 22.885 6.314 1.00 0.00 C ATOM 1164 O LEU A 71 18.424 22.982 6.988 1.00 0.00 O ATOM 1165 CB LEU A 71 19.640 23.613 3.929 1.00 0.00 C ATOM 1166 CG LEU A 71 19.551 24.760 2.922 1.00 0.00 C ATOM 1167 CD1 LEU A 71 19.410 24.220 1.508 1.00 0.00 C ATOM 1168 CD2 LEU A 71 18.386 25.679 3.262 1.00 0.00 C ATOM 0 H LEU A 71 21.872 24.237 4.764 1.00 0.00 H new ATOM 0 HA LEU A 71 19.285 24.898 5.615 1.00 0.00 H new ATOM 0 HB2 LEU A 71 20.444 22.946 3.619 1.00 0.00 H new ATOM 0 HB3 LEU A 71 18.714 23.040 3.880 1.00 0.00 H new ATOM 0 HG LEU A 71 20.473 25.338 2.978 1.00 0.00 H new ATOM 0 HD11 LEU A 71 19.348 25.051 0.806 1.00 0.00 H new ATOM 0 HD12 LEU A 71 20.276 23.604 1.266 1.00 0.00 H new ATOM 0 HD13 LEU A 71 18.505 23.617 1.437 1.00 0.00 H new ATOM 0 HD21 LEU A 71 18.338 26.490 2.535 1.00 0.00 H new ATOM 0 HD22 LEU A 71 17.455 25.112 3.235 1.00 0.00 H new ATOM 0 HD23 LEU A 71 18.529 26.094 4.259 1.00 0.00 H new ATOM 1180 N GLU A 72 20.239 21.817 6.345 1.00 0.00 N ATOM 1181 CA GLU A 72 19.937 20.669 7.194 1.00 0.00 C ATOM 1182 C GLU A 72 19.793 21.094 8.652 1.00 0.00 C ATOM 1183 O GLU A 72 18.896 20.634 9.358 1.00 0.00 O ATOM 1184 CB GLU A 72 21.035 19.611 7.066 1.00 0.00 C ATOM 1185 CG GLU A 72 20.821 18.402 7.961 1.00 0.00 C ATOM 1186 CD GLU A 72 22.094 17.608 8.183 1.00 0.00 C ATOM 1187 OE1 GLU A 72 23.167 18.233 8.317 1.00 0.00 O ATOM 1188 OE2 GLU A 72 22.018 16.362 8.222 1.00 0.00 O ATOM 0 H GLU A 72 21.092 21.722 5.793 1.00 0.00 H new ATOM 0 HA GLU A 72 18.990 20.243 6.863 1.00 0.00 H new ATOM 0 HB2 GLU A 72 21.090 19.280 6.029 1.00 0.00 H new ATOM 0 HB3 GLU A 72 21.996 20.066 7.307 1.00 0.00 H new ATOM 0 HG2 GLU A 72 20.430 18.732 8.924 1.00 0.00 H new ATOM 0 HG3 GLU A 72 20.066 17.754 7.516 1.00 0.00 H new ATOM 1195 N ASN A 73 20.684 21.975 9.097 1.00 0.00 N ATOM 1196 CA ASN A 73 20.657 22.462 10.471 1.00 0.00 C ATOM 1197 C ASN A 73 19.566 23.513 10.655 1.00 0.00 C ATOM 1198 O ASN A 73 19.121 23.774 11.773 1.00 0.00 O ATOM 1199 CB ASN A 73 22.017 23.050 10.853 1.00 0.00 C ATOM 1200 CG ASN A 73 22.167 23.235 12.350 1.00 0.00 C ATOM 1201 OD1 ASN A 73 21.992 24.336 12.872 1.00 0.00 O ATOM 1202 ND2 ASN A 73 22.493 22.154 13.050 1.00 0.00 N ATOM 0 H ASN A 73 21.433 22.366 8.526 1.00 0.00 H new ATOM 0 HA ASN A 73 20.437 21.618 11.125 1.00 0.00 H new ATOM 0 HB2 ASN A 73 22.808 22.394 10.490 1.00 0.00 H new ATOM 0 HB3 ASN A 73 22.147 24.011 10.356 1.00 0.00 H new ATOM 0 HD21 ASN A 73 22.608 22.217 14.062 1.00 0.00 H new ATOM 0 HD22 ASN A 73 22.628 21.261 12.576 1.00 0.00 H new ATOM 1209 N LYS A 74 19.139 24.114 9.549 1.00 0.00 N ATOM 1210 CA LYS A 74 18.099 25.136 9.586 1.00 0.00 C ATOM 1211 C LYS A 74 16.716 24.501 9.692 1.00 0.00 C ATOM 1212 O LYS A 74 15.766 25.134 10.149 1.00 0.00 O ATOM 1213 CB LYS A 74 18.175 26.014 8.335 1.00 0.00 C ATOM 1214 CG LYS A 74 18.702 27.413 8.605 1.00 0.00 C ATOM 1215 CD LYS A 74 20.048 27.376 9.308 1.00 0.00 C ATOM 1216 CE LYS A 74 21.103 28.150 8.533 1.00 0.00 C ATOM 1217 NZ LYS A 74 22.402 28.198 9.260 1.00 0.00 N ATOM 0 H LYS A 74 19.497 23.911 8.616 1.00 0.00 H new ATOM 0 HA LYS A 74 18.263 25.755 10.468 1.00 0.00 H new ATOM 0 HB2 LYS A 74 18.816 25.529 7.599 1.00 0.00 H new ATOM 0 HB3 LYS A 74 17.182 26.088 7.892 1.00 0.00 H new ATOM 0 HG2 LYS A 74 18.797 27.955 7.664 1.00 0.00 H new ATOM 0 HG3 LYS A 74 17.986 27.961 9.217 1.00 0.00 H new ATOM 0 HD2 LYS A 74 19.949 27.796 10.309 1.00 0.00 H new ATOM 0 HD3 LYS A 74 20.369 26.341 9.427 1.00 0.00 H new ATOM 0 HE2 LYS A 74 21.250 27.686 7.557 1.00 0.00 H new ATOM 0 HE3 LYS A 74 20.750 29.165 8.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 23.094 28.734 8.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 22.268 28.663 10.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 22.752 27.230 9.409 1.00 0.00 H new ATOM 1231 N GLY A 75 16.612 23.245 9.267 1.00 0.00 N ATOM 1232 CA GLY A 75 15.342 22.546 9.324 1.00 0.00 C ATOM 1233 C GLY A 75 15.085 21.708 8.088 1.00 0.00 C ATOM 1234 O GLY A 75 14.118 20.948 8.032 1.00 0.00 O ATOM 0 H GLY A 75 17.385 22.700 8.885 1.00 0.00 H new ATOM 0 HA2 GLY A 75 15.324 21.904 10.205 1.00 0.00 H new ATOM 0 HA3 GLY A 75 14.537 23.271 9.441 1.00 0.00 H new ATOM 1238 N LYS A 76 15.953 21.846 7.091 1.00 0.00 N ATOM 1239 CA LYS A 76 15.817 21.096 5.848 1.00 0.00 C ATOM 1240 C LYS A 76 16.296 19.659 6.024 1.00 0.00 C ATOM 1241 O LYS A 76 16.235 18.855 5.093 1.00 0.00 O ATOM 1242 CB LYS A 76 16.609 21.776 4.729 1.00 0.00 C ATOM 1243 CG LYS A 76 16.192 23.215 4.476 1.00 0.00 C ATOM 1244 CD LYS A 76 14.713 23.317 4.147 1.00 0.00 C ATOM 1245 CE LYS A 76 14.419 24.524 3.268 1.00 0.00 C ATOM 1246 NZ LYS A 76 14.471 25.797 4.039 1.00 0.00 N ATOM 0 H LYS A 76 16.759 22.471 7.120 1.00 0.00 H new ATOM 0 HA LYS A 76 14.761 21.077 5.578 1.00 0.00 H new ATOM 0 HB2 LYS A 76 17.669 21.753 4.980 1.00 0.00 H new ATOM 0 HB3 LYS A 76 16.486 21.204 3.809 1.00 0.00 H new ATOM 0 HG2 LYS A 76 16.412 23.819 5.356 1.00 0.00 H new ATOM 0 HG3 LYS A 76 16.778 23.625 3.653 1.00 0.00 H new ATOM 0 HD2 LYS A 76 14.389 22.408 3.640 1.00 0.00 H new ATOM 0 HD3 LYS A 76 14.138 23.389 5.070 1.00 0.00 H new ATOM 0 HE2 LYS A 76 15.141 24.564 2.452 1.00 0.00 H new ATOM 0 HE3 LYS A 76 13.433 24.413 2.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 14.265 26.595 3.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 13.765 25.770 4.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 15.419 25.916 4.449 1.00 0.00 H new ATOM 1260 N LEU A 77 16.772 19.341 7.223 1.00 0.00 N ATOM 1261 CA LEU A 77 17.261 18.000 7.521 1.00 0.00 C ATOM 1262 C LEU A 77 16.238 16.944 7.112 1.00 0.00 C ATOM 1263 O LEU A 77 16.595 15.896 6.574 1.00 0.00 O ATOM 1264 CB LEU A 77 17.575 17.870 9.013 1.00 0.00 C ATOM 1265 CG LEU A 77 17.700 16.445 9.551 1.00 0.00 C ATOM 1266 CD1 LEU A 77 19.015 16.268 10.294 1.00 0.00 C ATOM 1267 CD2 LEU A 77 16.524 16.113 10.459 1.00 0.00 C ATOM 0 H LEU A 77 16.830 19.994 8.004 1.00 0.00 H new ATOM 0 HA LEU A 77 18.174 17.837 6.948 1.00 0.00 H new ATOM 0 HB2 LEU A 77 18.508 18.396 9.215 1.00 0.00 H new ATOM 0 HB3 LEU A 77 16.793 18.381 9.574 1.00 0.00 H new ATOM 0 HG LEU A 77 17.688 15.756 8.706 1.00 0.00 H new ATOM 0 HD11 LEU A 77 19.086 15.247 10.670 1.00 0.00 H new ATOM 0 HD12 LEU A 77 19.845 16.464 9.616 1.00 0.00 H new ATOM 0 HD13 LEU A 77 19.057 16.966 11.130 1.00 0.00 H new ATOM 0 HD21 LEU A 77 16.629 15.095 10.833 1.00 0.00 H new ATOM 0 HD22 LEU A 77 16.505 16.808 11.299 1.00 0.00 H new ATOM 0 HD23 LEU A 77 15.594 16.198 9.896 1.00 0.00 H new ATOM 1279 N ASP A 78 14.966 17.229 7.369 1.00 0.00 N ATOM 1280 CA ASP A 78 13.891 16.306 7.024 1.00 0.00 C ATOM 1281 C ASP A 78 13.939 15.946 5.542 1.00 0.00 C ATOM 1282 O ASP A 78 13.896 14.771 5.177 1.00 0.00 O ATOM 1283 CB ASP A 78 12.534 16.919 7.370 1.00 0.00 C ATOM 1284 CG ASP A 78 12.459 17.386 8.810 1.00 0.00 C ATOM 1285 OD1 ASP A 78 12.861 16.613 9.706 1.00 0.00 O ATOM 1286 OD2 ASP A 78 12.000 18.523 9.042 1.00 0.00 O ATOM 0 H ASP A 78 14.654 18.092 7.815 1.00 0.00 H new ATOM 0 HA ASP A 78 14.027 15.394 7.605 1.00 0.00 H new ATOM 0 HB2 ASP A 78 12.340 17.762 6.707 1.00 0.00 H new ATOM 0 HB3 ASP A 78 11.750 16.184 7.188 1.00 0.00 H new ATOM 1291 N SER A 79 14.025 16.965 4.693 1.00 0.00 N ATOM 1292 CA SER A 79 14.073 16.756 3.251 1.00 0.00 C ATOM 1293 C SER A 79 15.383 16.091 2.841 1.00 0.00 C ATOM 1294 O SER A 79 15.391 15.128 2.073 1.00 0.00 O ATOM 1295 CB SER A 79 13.912 18.088 2.516 1.00 0.00 C ATOM 1296 OG SER A 79 13.977 17.907 1.112 1.00 0.00 O ATOM 0 H SER A 79 14.063 17.943 4.979 1.00 0.00 H new ATOM 0 HA SER A 79 13.250 16.096 2.977 1.00 0.00 H new ATOM 0 HB2 SER A 79 12.958 18.541 2.784 1.00 0.00 H new ATOM 0 HB3 SER A 79 14.693 18.779 2.833 1.00 0.00 H new ATOM 0 HG SER A 79 13.870 18.773 0.665 1.00 0.00 H new ATOM 1302 N LEU A 80 16.490 16.611 3.360 1.00 0.00 N ATOM 1303 CA LEU A 80 17.809 16.068 3.049 1.00 0.00 C ATOM 1304 C LEU A 80 17.868 14.575 3.352 1.00 0.00 C ATOM 1305 O LEU A 80 18.262 13.773 2.503 1.00 0.00 O ATOM 1306 CB LEU A 80 18.886 16.805 3.847 1.00 0.00 C ATOM 1307 CG LEU A 80 19.610 17.935 3.113 1.00 0.00 C ATOM 1308 CD1 LEU A 80 20.524 17.372 2.036 1.00 0.00 C ATOM 1309 CD2 LEU A 80 18.607 18.907 2.509 1.00 0.00 C ATOM 0 H LEU A 80 16.501 17.407 3.998 1.00 0.00 H new ATOM 0 HA LEU A 80 17.992 16.211 1.984 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.426 17.218 4.745 1.00 0.00 H new ATOM 0 HB3 LEU A 80 19.628 16.078 4.175 1.00 0.00 H new ATOM 0 HG LEU A 80 20.222 18.477 3.834 1.00 0.00 H new ATOM 0 HD11 LEU A 80 21.031 18.190 1.524 1.00 0.00 H new ATOM 0 HD12 LEU A 80 21.265 16.716 2.494 1.00 0.00 H new ATOM 0 HD13 LEU A 80 19.933 16.805 1.317 1.00 0.00 H new ATOM 0 HD21 LEU A 80 19.140 19.704 1.991 1.00 0.00 H new ATOM 0 HD22 LEU A 80 17.968 18.378 1.802 1.00 0.00 H new ATOM 0 HD23 LEU A 80 17.994 19.336 3.301 1.00 0.00 H new ATOM 1321 N LEU A 81 17.472 14.206 4.565 1.00 0.00 N ATOM 1322 CA LEU A 81 17.478 12.807 4.980 1.00 0.00 C ATOM 1323 C LEU A 81 16.504 11.987 4.140 1.00 0.00 C ATOM 1324 O LEU A 81 16.843 10.905 3.661 1.00 0.00 O ATOM 1325 CB LEU A 81 17.115 12.692 6.461 1.00 0.00 C ATOM 1326 CG LEU A 81 18.280 12.451 7.421 1.00 0.00 C ATOM 1327 CD1 LEU A 81 18.991 13.757 7.737 1.00 0.00 C ATOM 1328 CD2 LEU A 81 17.789 11.787 8.699 1.00 0.00 C ATOM 0 H LEU A 81 17.143 14.856 5.279 1.00 0.00 H new ATOM 0 HA LEU A 81 18.482 12.412 4.828 1.00 0.00 H new ATOM 0 HB2 LEU A 81 16.606 13.608 6.762 1.00 0.00 H new ATOM 0 HB3 LEU A 81 16.400 11.877 6.577 1.00 0.00 H new ATOM 0 HG LEU A 81 18.991 11.782 6.937 1.00 0.00 H new ATOM 0 HD11 LEU A 81 19.817 13.565 8.422 1.00 0.00 H new ATOM 0 HD12 LEU A 81 19.377 14.193 6.816 1.00 0.00 H new ATOM 0 HD13 LEU A 81 18.289 14.450 8.200 1.00 0.00 H new ATOM 0 HD21 LEU A 81 18.632 11.623 9.371 1.00 0.00 H new ATOM 0 HD22 LEU A 81 17.057 12.431 9.186 1.00 0.00 H new ATOM 0 HD23 LEU A 81 17.326 10.830 8.457 1.00 0.00 H new ATOM 1340 N GLN A 82 15.295 12.510 3.966 1.00 0.00 N ATOM 1341 CA GLN A 82 14.273 11.826 3.183 1.00 0.00 C ATOM 1342 C GLN A 82 14.728 11.637 1.740 1.00 0.00 C ATOM 1343 O GLN A 82 14.266 10.731 1.046 1.00 0.00 O ATOM 1344 CB GLN A 82 12.961 12.613 3.218 1.00 0.00 C ATOM 1345 CG GLN A 82 11.891 12.053 2.295 1.00 0.00 C ATOM 1346 CD GLN A 82 10.522 12.648 2.560 1.00 0.00 C ATOM 1347 OE1 GLN A 82 9.759 12.139 3.382 1.00 0.00 O ATOM 1348 NE2 GLN A 82 10.204 13.733 1.865 1.00 0.00 N ATOM 0 H GLN A 82 14.999 13.405 4.356 1.00 0.00 H new ATOM 0 HA GLN A 82 14.110 10.843 3.625 1.00 0.00 H new ATOM 0 HB2 GLN A 82 12.580 12.622 4.239 1.00 0.00 H new ATOM 0 HB3 GLN A 82 13.161 13.649 2.943 1.00 0.00 H new ATOM 0 HG2 GLN A 82 12.172 12.246 1.260 1.00 0.00 H new ATOM 0 HG3 GLN A 82 11.842 10.971 2.416 1.00 0.00 H new ATOM 0 HE21 GLN A 82 10.867 14.121 1.194 1.00 0.00 H new ATOM 0 HE22 GLN A 82 9.297 14.179 2.002 1.00 0.00 H new ATOM 1357 N ASP A 83 15.635 12.499 1.293 1.00 0.00 N ATOM 1358 CA ASP A 83 16.153 12.427 -0.068 1.00 0.00 C ATOM 1359 C ASP A 83 17.343 11.475 -0.146 1.00 0.00 C ATOM 1360 O ASP A 83 17.293 10.457 -0.837 1.00 0.00 O ATOM 1361 CB ASP A 83 16.563 13.818 -0.554 1.00 0.00 C ATOM 1362 CG ASP A 83 15.378 14.751 -0.706 1.00 0.00 C ATOM 1363 OD1 ASP A 83 14.245 14.250 -0.867 1.00 0.00 O ATOM 1364 OD2 ASP A 83 15.583 15.982 -0.662 1.00 0.00 O ATOM 0 H ASP A 83 16.027 13.256 1.854 1.00 0.00 H new ATOM 0 HA ASP A 83 15.362 12.044 -0.713 1.00 0.00 H new ATOM 0 HB2 ASP A 83 17.274 14.250 0.150 1.00 0.00 H new ATOM 0 HB3 ASP A 83 17.076 13.728 -1.511 1.00 0.00 H new ATOM 1369 N VAL A 84 18.414 11.815 0.565 1.00 0.00 N ATOM 1370 CA VAL A 84 19.617 10.991 0.576 1.00 0.00 C ATOM 1371 C VAL A 84 19.287 9.541 0.912 1.00 0.00 C ATOM 1372 O VAL A 84 19.952 8.617 0.443 1.00 0.00 O ATOM 1373 CB VAL A 84 20.650 11.519 1.589 1.00 0.00 C ATOM 1374 CG1 VAL A 84 21.114 12.915 1.200 1.00 0.00 C ATOM 1375 CG2 VAL A 84 20.067 11.514 2.994 1.00 0.00 C ATOM 0 H VAL A 84 18.473 12.655 1.141 1.00 0.00 H new ATOM 0 HA VAL A 84 20.044 11.041 -0.426 1.00 0.00 H new ATOM 0 HB VAL A 84 21.517 10.858 1.577 1.00 0.00 H new ATOM 0 HG11 VAL A 84 21.843 13.272 1.927 1.00 0.00 H new ATOM 0 HG12 VAL A 84 21.572 12.884 0.212 1.00 0.00 H new ATOM 0 HG13 VAL A 84 20.259 13.591 1.182 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.810 11.890 3.698 1.00 0.00 H new ATOM 0 HG22 VAL A 84 19.184 12.152 3.024 1.00 0.00 H new ATOM 0 HG23 VAL A 84 19.789 10.497 3.269 1.00 0.00 H new ATOM 1385 N HIS A 85 18.255 9.348 1.727 1.00 0.00 N ATOM 1386 CA HIS A 85 17.835 8.009 2.126 1.00 0.00 C ATOM 1387 C HIS A 85 17.633 7.117 0.905 1.00 0.00 C ATOM 1388 O HIS A 85 17.181 7.578 -0.144 1.00 0.00 O ATOM 1389 CB HIS A 85 16.544 8.078 2.941 1.00 0.00 C ATOM 1390 CG HIS A 85 16.770 8.109 4.421 1.00 0.00 C ATOM 1391 ND1 HIS A 85 15.778 7.842 5.340 1.00 0.00 N ATOM 1392 CD2 HIS A 85 17.885 8.376 5.140 1.00 0.00 C ATOM 1393 CE1 HIS A 85 16.272 7.945 6.561 1.00 0.00 C ATOM 1394 NE2 HIS A 85 17.549 8.267 6.468 1.00 0.00 N ATOM 0 H HIS A 85 17.694 10.102 2.124 1.00 0.00 H new ATOM 0 HA HIS A 85 18.622 7.577 2.744 1.00 0.00 H new ATOM 0 HB2 HIS A 85 15.987 8.968 2.648 1.00 0.00 H new ATOM 0 HB3 HIS A 85 15.922 7.217 2.695 1.00 0.00 H new ATOM 0 HD2 HIS A 85 18.858 8.628 4.744 1.00 0.00 H new ATOM 0 HE1 HIS A 85 15.724 7.792 7.479 1.00 0.00 H new ATOM 0 HE2 HIS A 85 18.183 8.411 7.254 1.00 0.00 H new