USER MOD reduce.3.24.130724 H: found=0, std=0, add=464, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 463 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 69 THR OG1 : rot 15:sc= 0.635 USER MOD Set 1.2: A 70 ASN : amide:sc= 0.494 K(o=1.2,f=-2.9!) USER MOD Set 1.3: A 74 CYS SG : rot -160:sc= 0.0642 USER MOD Set 2.1: A 46 THR OG1 : rot 6:sc= 0.162 USER MOD Set 2.2: A 49 LYS NZ :NH3+ -125:sc= 0.25 (180deg=0.267) USER MOD Set 3.1: A 27 CYS SG : rot -140:sc= 0.975 USER MOD Set 3.2: A 38 HIS : no HD1:sc= -0.388 K(o=0.51,f=-2.8!) USER MOD Set 3.3: A 51 CYS SG : rot -119:sc= 0.00374 USER MOD Set 3.4: A 54 CYS SG : rot 13:sc= -0.0818 USER MOD Set 4.1: A 23 LYS NZ :NH3+ -122:sc= 1.13 (180deg=-0.124) USER MOD Set 4.2: A 60 TYR OH : rot 15:sc= 0.26 USER MOD Set 4.3: A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HE2:sc= -1.25! C(o=-1.3!,f=-4.4!) USER MOD Single : A 10 GLN : amide:sc= -0.0017 X(o=-0.0017,f=-0.38) USER MOD Single : A 15 TYR OH : rot 30:sc= -0.0119 USER MOD Single : A 16 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0936) USER MOD Single : A 26 MET CE :methyl -152:sc= 0 (180deg=-0.101) USER MOD Single : A 43 MET CE :methyl 155:sc= -1.54 (180deg=-2.86!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.767 USER MOD Single : A 58 TYR OH : rot -84:sc= 0.463 USER MOD Single : A 63 SER OG : rot -92:sc= 1.28 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 GLN : amide:sc= -0.153 K(o=-0.15,f=-1.8) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.0979 X(o=-0.098,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 77 N ILE A 6 -3.268 -8.313 -0.707 1.00 0.00 N ATOM 78 CA ILE A 6 -2.657 -7.436 0.280 1.00 0.00 C ATOM 79 C ILE A 6 -3.080 -5.986 0.055 1.00 0.00 C ATOM 80 O ILE A 6 -3.446 -5.611 -1.061 1.00 0.00 O ATOM 81 CB ILE A 6 -1.116 -7.553 0.258 1.00 0.00 C ATOM 82 CG1 ILE A 6 -0.577 -7.383 -1.167 1.00 0.00 C ATOM 83 CG2 ILE A 6 -0.685 -8.890 0.843 1.00 0.00 C ATOM 84 CD1 ILE A 6 0.927 -7.527 -1.269 1.00 0.00 C ATOM 0 HA ILE A 6 -3.008 -7.753 1.262 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.698 -6.754 0.871 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.049 -8.122 -1.815 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -0.865 -6.400 -1.540 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.402 -8.962 0.823 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -1.035 -8.966 1.873 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -1.114 -9.700 0.253 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.236 -7.394 -2.306 1.00 0.00 H new ATOM 0 HD12 ILE A 6 1.408 -6.771 -0.648 1.00 0.00 H new ATOM 0 HD13 ILE A 6 1.222 -8.519 -0.927 1.00 0.00 H new ATOM 96 N PRO A 7 -3.047 -5.163 1.120 1.00 0.00 N ATOM 97 CA PRO A 7 -3.503 -3.766 1.074 1.00 0.00 C ATOM 98 C PRO A 7 -2.835 -2.938 -0.024 1.00 0.00 C ATOM 99 O PRO A 7 -1.662 -3.139 -0.360 1.00 0.00 O ATOM 100 CB PRO A 7 -3.123 -3.218 2.453 1.00 0.00 C ATOM 101 CG PRO A 7 -3.061 -4.414 3.334 1.00 0.00 C ATOM 102 CD PRO A 7 -2.570 -5.535 2.467 1.00 0.00 C ATOM 0 HA PRO A 7 -4.567 -3.712 0.846 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -2.165 -2.700 2.422 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -3.862 -2.501 2.811 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -2.388 -4.246 4.175 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -4.041 -4.643 3.752 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -1.484 -5.621 2.499 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -2.975 -6.496 2.785 1.00 0.00 H new ATOM 110 N HIS A 8 -3.597 -2.009 -0.582 1.00 0.00 N ATOM 111 CA HIS A 8 -3.088 -1.103 -1.598 1.00 0.00 C ATOM 112 C HIS A 8 -3.332 0.339 -1.174 1.00 0.00 C ATOM 113 O HIS A 8 -4.372 0.657 -0.598 1.00 0.00 O ATOM 114 CB HIS A 8 -3.762 -1.352 -2.954 1.00 0.00 C ATOM 115 CG HIS A 8 -3.551 -2.726 -3.510 1.00 0.00 C ATOM 116 ND1 HIS A 8 -2.372 -3.129 -4.103 1.00 0.00 N ATOM 117 CD2 HIS A 8 -4.385 -3.791 -3.575 1.00 0.00 C ATOM 118 CE1 HIS A 8 -2.495 -4.380 -4.508 1.00 0.00 C ATOM 119 NE2 HIS A 8 -3.703 -4.804 -4.199 1.00 0.00 N ATOM 0 H HIS A 8 -4.578 -1.863 -0.345 1.00 0.00 H new ATOM 0 HA HIS A 8 -2.018 -1.285 -1.704 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -4.833 -1.176 -2.851 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -3.387 -0.622 -3.671 1.00 0.00 H new ATOM 0 HD1 HIS A 8 -1.538 -2.552 -4.211 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -5.398 -3.834 -3.204 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -1.733 -4.958 -5.009 1.00 0.00 H new ATOM 128 N PHE A 9 -2.372 1.202 -1.449 1.00 0.00 N ATOM 129 CA PHE A 9 -2.517 2.617 -1.154 1.00 0.00 C ATOM 130 C PHE A 9 -2.509 3.420 -2.445 1.00 0.00 C ATOM 131 O PHE A 9 -1.968 2.975 -3.457 1.00 0.00 O ATOM 132 CB PHE A 9 -1.415 3.090 -0.199 1.00 0.00 C ATOM 133 CG PHE A 9 -1.599 2.591 1.210 1.00 0.00 C ATOM 134 CD1 PHE A 9 -1.147 1.334 1.582 1.00 0.00 C ATOM 135 CD2 PHE A 9 -2.239 3.374 2.160 1.00 0.00 C ATOM 136 CE1 PHE A 9 -1.326 0.869 2.870 1.00 0.00 C ATOM 137 CE2 PHE A 9 -2.423 2.913 3.450 1.00 0.00 C ATOM 138 CZ PHE A 9 -1.966 1.658 3.806 1.00 0.00 C ATOM 0 H PHE A 9 -1.482 0.948 -1.877 1.00 0.00 H new ATOM 0 HA PHE A 9 -3.473 2.776 -0.656 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -0.449 2.753 -0.574 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -1.392 4.180 -0.192 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -0.648 0.710 0.855 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -2.598 4.356 1.888 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -0.966 -0.111 3.145 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -2.923 3.533 4.179 1.00 0.00 H new ATOM 0 HZ PHE A 9 -2.109 1.295 4.813 1.00 0.00 H new ATOM 148 N GLN A 10 -3.122 4.589 -2.406 1.00 0.00 N ATOM 149 CA GLN A 10 -3.304 5.398 -3.596 1.00 0.00 C ATOM 150 C GLN A 10 -2.585 6.733 -3.465 1.00 0.00 C ATOM 151 O GLN A 10 -2.782 7.468 -2.496 1.00 0.00 O ATOM 152 CB GLN A 10 -4.798 5.633 -3.861 1.00 0.00 C ATOM 153 CG GLN A 10 -5.553 6.225 -2.676 1.00 0.00 C ATOM 154 CD GLN A 10 -6.973 6.631 -3.019 1.00 0.00 C ATOM 155 OE1 GLN A 10 -7.616 6.042 -3.889 1.00 0.00 O ATOM 156 NE2 GLN A 10 -7.478 7.642 -2.328 1.00 0.00 N ATOM 0 H GLN A 10 -3.505 5.001 -1.555 1.00 0.00 H new ATOM 0 HA GLN A 10 -2.874 4.856 -4.438 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -4.904 6.300 -4.716 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -5.261 4.685 -4.137 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -5.575 5.496 -1.866 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -5.012 7.096 -2.306 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -6.914 8.105 -1.615 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -8.431 7.958 -2.509 1.00 0.00 H new ATOM 210 N GLY A 14 1.169 11.992 -4.681 1.00 0.00 N ATOM 211 CA GLY A 14 2.331 11.231 -4.274 1.00 0.00 C ATOM 212 C GLY A 14 3.127 11.928 -3.194 1.00 0.00 C ATOM 213 O GLY A 14 3.970 12.775 -3.488 1.00 0.00 O ATOM 0 HA2 GLY A 14 2.013 10.253 -3.913 1.00 0.00 H new ATOM 0 HA3 GLY A 14 2.971 11.059 -5.140 1.00 0.00 H new ATOM 217 N TYR A 15 2.853 11.585 -1.943 1.00 0.00 N ATOM 218 CA TYR A 15 3.592 12.157 -0.827 1.00 0.00 C ATOM 219 C TYR A 15 4.896 11.398 -0.647 1.00 0.00 C ATOM 220 O TYR A 15 4.932 10.173 -0.766 1.00 0.00 O ATOM 221 CB TYR A 15 2.771 12.121 0.465 1.00 0.00 C ATOM 222 CG TYR A 15 1.402 12.755 0.341 1.00 0.00 C ATOM 223 CD1 TYR A 15 1.146 13.736 -0.610 1.00 0.00 C ATOM 224 CD2 TYR A 15 0.361 12.358 1.166 1.00 0.00 C ATOM 225 CE1 TYR A 15 -0.108 14.296 -0.735 1.00 0.00 C ATOM 226 CE2 TYR A 15 -0.895 12.919 1.050 1.00 0.00 C ATOM 227 CZ TYR A 15 -1.125 13.883 0.096 1.00 0.00 C ATOM 228 OH TYR A 15 -2.378 14.429 -0.035 1.00 0.00 O ATOM 0 H TYR A 15 2.129 10.918 -1.677 1.00 0.00 H new ATOM 0 HA TYR A 15 3.804 13.203 -1.050 1.00 0.00 H new ATOM 0 HB2 TYR A 15 2.653 11.084 0.780 1.00 0.00 H new ATOM 0 HB3 TYR A 15 3.327 12.632 1.251 1.00 0.00 H new ATOM 0 HD1 TYR A 15 1.942 14.065 -1.262 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.536 11.597 1.912 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -0.291 15.055 -1.481 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -1.693 12.603 1.705 1.00 0.00 H new ATOM 0 HH TYR A 15 -2.526 14.688 -0.968 1.00 0.00 H new ATOM 238 N LYS A 16 5.954 12.133 -0.358 1.00 0.00 N ATOM 239 CA LYS A 16 7.301 11.580 -0.352 1.00 0.00 C ATOM 240 C LYS A 16 7.512 10.609 0.804 1.00 0.00 C ATOM 241 O LYS A 16 8.298 9.663 0.689 1.00 0.00 O ATOM 242 CB LYS A 16 8.318 12.722 -0.303 1.00 0.00 C ATOM 243 CG LYS A 16 8.033 13.792 -1.345 1.00 0.00 C ATOM 244 CD LYS A 16 9.017 14.945 -1.282 1.00 0.00 C ATOM 245 CE LYS A 16 8.479 16.159 -2.027 1.00 0.00 C ATOM 246 NZ LYS A 16 8.087 15.828 -3.423 1.00 0.00 N ATOM 0 H LYS A 16 5.908 13.124 -0.122 1.00 0.00 H new ATOM 0 HA LYS A 16 7.443 11.009 -1.270 1.00 0.00 H new ATOM 0 HB2 LYS A 16 8.308 13.172 0.690 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.319 12.321 -0.461 1.00 0.00 H new ATOM 0 HG2 LYS A 16 8.067 13.345 -2.338 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.022 14.174 -1.201 1.00 0.00 H new ATOM 0 HD2 LYS A 16 9.210 15.208 -0.242 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.969 14.640 -1.715 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.617 16.559 -1.494 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.237 16.942 -2.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 7.872 16.704 -3.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.869 15.331 -3.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.246 15.217 -3.412 1.00 0.00 H new ATOM 260 N ILE A 17 6.820 10.832 1.909 1.00 0.00 N ATOM 261 CA ILE A 17 6.877 9.917 3.039 1.00 0.00 C ATOM 262 C ILE A 17 5.469 9.515 3.462 1.00 0.00 C ATOM 263 O ILE A 17 4.709 10.339 3.973 1.00 0.00 O ATOM 264 CB ILE A 17 7.612 10.543 4.246 1.00 0.00 C ATOM 265 CG1 ILE A 17 9.010 11.023 3.841 1.00 0.00 C ATOM 266 CG2 ILE A 17 7.704 9.542 5.392 1.00 0.00 C ATOM 267 CD1 ILE A 17 9.746 11.757 4.941 1.00 0.00 C ATOM 0 H ILE A 17 6.212 11.639 2.049 1.00 0.00 H new ATOM 0 HA ILE A 17 7.434 9.037 2.717 1.00 0.00 H new ATOM 0 HB ILE A 17 7.039 11.406 4.584 1.00 0.00 H new ATOM 0 HG12 ILE A 17 9.603 10.163 3.531 1.00 0.00 H new ATOM 0 HG13 ILE A 17 8.922 11.679 2.975 1.00 0.00 H new ATOM 0 HG21 ILE A 17 8.224 9.999 6.234 1.00 0.00 H new ATOM 0 HG22 ILE A 17 6.700 9.250 5.701 1.00 0.00 H new ATOM 0 HG23 ILE A 17 8.253 8.660 5.062 1.00 0.00 H new ATOM 0 HD11 ILE A 17 10.727 12.065 4.579 1.00 0.00 H new ATOM 0 HD12 ILE A 17 9.175 12.637 5.236 1.00 0.00 H new ATOM 0 HD13 ILE A 17 9.867 11.098 5.801 1.00 0.00 H new ATOM 279 N ILE A 18 5.108 8.261 3.231 1.00 0.00 N ATOM 280 CA ILE A 18 3.793 7.769 3.649 1.00 0.00 C ATOM 281 C ILE A 18 3.869 6.857 4.877 1.00 0.00 C ATOM 282 O ILE A 18 4.649 5.910 4.922 1.00 0.00 O ATOM 283 CB ILE A 18 3.068 7.035 2.499 1.00 0.00 C ATOM 284 CG1 ILE A 18 2.650 8.036 1.422 1.00 0.00 C ATOM 285 CG2 ILE A 18 1.852 6.273 3.017 1.00 0.00 C ATOM 286 CD1 ILE A 18 1.653 9.064 1.906 1.00 0.00 C ATOM 0 H ILE A 18 5.694 7.570 2.763 1.00 0.00 H new ATOM 0 HA ILE A 18 3.218 8.653 3.923 1.00 0.00 H new ATOM 0 HB ILE A 18 3.758 6.312 2.064 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.537 8.549 1.051 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.220 7.493 0.580 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.360 5.765 2.187 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.171 5.537 3.755 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.155 6.972 3.480 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.402 9.741 1.089 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.750 8.561 2.251 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.087 9.633 2.728 1.00 0.00 H new ATOM 298 N GLU A 19 3.028 7.146 5.863 1.00 0.00 N ATOM 299 CA GLU A 19 2.936 6.338 7.078 1.00 0.00 C ATOM 300 C GLU A 19 1.869 5.255 6.902 1.00 0.00 C ATOM 301 O GLU A 19 0.703 5.564 6.647 1.00 0.00 O ATOM 302 CB GLU A 19 2.535 7.209 8.276 1.00 0.00 C ATOM 303 CG GLU A 19 3.244 8.551 8.357 1.00 0.00 C ATOM 304 CD GLU A 19 4.727 8.425 8.609 1.00 0.00 C ATOM 305 OE1 GLU A 19 5.118 7.620 9.475 1.00 0.00 O ATOM 306 OE2 GLU A 19 5.507 9.148 7.954 1.00 0.00 O ATOM 0 H GLU A 19 2.392 7.943 5.845 1.00 0.00 H new ATOM 0 HA GLU A 19 3.912 5.888 7.258 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.460 7.384 8.236 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.733 6.654 9.193 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.085 9.096 7.426 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.796 9.144 9.154 1.00 0.00 H new ATOM 313 N ILE A 20 2.252 3.993 7.038 1.00 0.00 N ATOM 314 CA ILE A 20 1.292 2.901 6.907 1.00 0.00 C ATOM 315 C ILE A 20 1.354 1.971 8.113 1.00 0.00 C ATOM 316 O ILE A 20 2.410 1.795 8.720 1.00 0.00 O ATOM 317 CB ILE A 20 1.495 2.084 5.609 1.00 0.00 C ATOM 318 CG1 ILE A 20 2.876 1.425 5.582 1.00 0.00 C ATOM 319 CG2 ILE A 20 1.301 2.971 4.385 1.00 0.00 C ATOM 320 CD1 ILE A 20 3.073 0.497 4.402 1.00 0.00 C ATOM 0 H ILE A 20 3.209 3.700 7.237 1.00 0.00 H new ATOM 0 HA ILE A 20 0.307 3.365 6.857 1.00 0.00 H new ATOM 0 HB ILE A 20 0.745 1.293 5.588 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.641 2.201 5.557 1.00 0.00 H new ATOM 0 HG13 ILE A 20 3.021 0.864 6.505 1.00 0.00 H new ATOM 0 HG21 ILE A 20 1.447 2.380 3.481 1.00 0.00 H new ATOM 0 HG22 ILE A 20 0.292 3.382 4.390 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.025 3.786 4.407 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.072 0.063 4.443 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.330 -0.300 4.438 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.959 1.058 3.475 1.00 0.00 H new ATOM 332 N GLY A 21 0.213 1.387 8.458 1.00 0.00 N ATOM 333 CA GLY A 21 0.140 0.518 9.616 1.00 0.00 C ATOM 334 C GLY A 21 0.141 -0.951 9.243 1.00 0.00 C ATOM 335 O GLY A 21 -0.177 -1.808 10.066 1.00 0.00 O ATOM 0 H GLY A 21 -0.666 1.501 7.954 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.985 0.723 10.273 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.765 0.745 10.180 1.00 0.00 H new ATOM 339 N VAL A 22 0.497 -1.243 8.002 1.00 0.00 N ATOM 340 CA VAL A 22 0.561 -2.617 7.526 1.00 0.00 C ATOM 341 C VAL A 22 1.963 -2.933 7.026 1.00 0.00 C ATOM 342 O VAL A 22 2.654 -2.057 6.510 1.00 0.00 O ATOM 343 CB VAL A 22 -0.464 -2.893 6.402 1.00 0.00 C ATOM 344 CG1 VAL A 22 -1.882 -2.794 6.939 1.00 0.00 C ATOM 345 CG2 VAL A 22 -0.269 -1.934 5.235 1.00 0.00 C ATOM 0 H VAL A 22 0.747 -0.544 7.303 1.00 0.00 H new ATOM 0 HA VAL A 22 0.313 -3.262 8.369 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.299 -3.907 6.037 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.590 -2.991 6.134 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.022 -3.527 7.734 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.052 -1.793 7.335 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.003 -2.151 4.459 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.399 -0.909 5.581 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.735 -2.055 4.828 1.00 0.00 H new ATOM 355 N LYS A 23 2.385 -4.178 7.189 1.00 0.00 N ATOM 356 CA LYS A 23 3.727 -4.576 6.790 1.00 0.00 C ATOM 357 C LYS A 23 3.704 -5.328 5.462 1.00 0.00 C ATOM 358 O LYS A 23 4.747 -5.752 4.955 1.00 0.00 O ATOM 359 CB LYS A 23 4.382 -5.426 7.882 1.00 0.00 C ATOM 360 CG LYS A 23 4.451 -4.729 9.235 1.00 0.00 C ATOM 361 CD LYS A 23 5.279 -5.520 10.234 1.00 0.00 C ATOM 362 CE LYS A 23 5.259 -4.879 11.615 1.00 0.00 C ATOM 363 NZ LYS A 23 3.918 -4.977 12.259 1.00 0.00 N ATOM 0 H LYS A 23 1.821 -4.926 7.592 1.00 0.00 H new ATOM 0 HA LYS A 23 4.321 -3.672 6.653 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.825 -6.357 7.990 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.391 -5.693 7.568 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.882 -3.736 9.111 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.443 -4.592 9.626 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.895 -6.538 10.300 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.308 -5.590 9.880 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.002 -5.363 12.250 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.545 -3.831 11.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 3.571 -4.023 12.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.253 -5.441 11.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 3.993 -5.535 13.133 1.00 0.00 H new ATOM 377 N GLU A 24 2.510 -5.494 4.907 1.00 0.00 N ATOM 378 CA GLU A 24 2.348 -6.101 3.593 1.00 0.00 C ATOM 379 C GLU A 24 1.737 -5.078 2.644 1.00 0.00 C ATOM 380 O GLU A 24 0.671 -4.529 2.926 1.00 0.00 O ATOM 381 CB GLU A 24 1.446 -7.345 3.649 1.00 0.00 C ATOM 382 CG GLU A 24 1.885 -8.415 4.639 1.00 0.00 C ATOM 383 CD GLU A 24 1.358 -8.171 6.039 1.00 0.00 C ATOM 384 OE1 GLU A 24 0.162 -8.443 6.282 1.00 0.00 O ATOM 385 OE2 GLU A 24 2.133 -7.715 6.903 1.00 0.00 O ATOM 0 H GLU A 24 1.635 -5.215 5.350 1.00 0.00 H new ATOM 0 HA GLU A 24 3.330 -6.414 3.239 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.434 -7.030 3.903 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.402 -7.788 2.654 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.541 -9.389 4.291 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.974 -8.453 4.667 1.00 0.00 H new ATOM 392 N PHE A 25 2.404 -4.815 1.530 1.00 0.00 N ATOM 393 CA PHE A 25 1.929 -3.804 0.598 1.00 0.00 C ATOM 394 C PHE A 25 2.262 -4.169 -0.845 1.00 0.00 C ATOM 395 O PHE A 25 3.279 -4.803 -1.125 1.00 0.00 O ATOM 396 CB PHE A 25 2.538 -2.442 0.952 1.00 0.00 C ATOM 397 CG PHE A 25 2.208 -1.362 -0.036 1.00 0.00 C ATOM 398 CD1 PHE A 25 0.923 -0.856 -0.126 1.00 0.00 C ATOM 399 CD2 PHE A 25 3.180 -0.867 -0.887 1.00 0.00 C ATOM 400 CE1 PHE A 25 0.617 0.127 -1.044 1.00 0.00 C ATOM 401 CE2 PHE A 25 2.878 0.114 -1.808 1.00 0.00 C ATOM 402 CZ PHE A 25 1.594 0.613 -1.886 1.00 0.00 C ATOM 0 H PHE A 25 3.267 -5.282 1.251 1.00 0.00 H new ATOM 0 HA PHE A 25 0.844 -3.751 0.684 1.00 0.00 H new ATOM 0 HB2 PHE A 25 2.185 -2.141 1.938 1.00 0.00 H new ATOM 0 HB3 PHE A 25 3.621 -2.544 1.018 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.152 -1.235 0.529 1.00 0.00 H new ATOM 0 HD2 PHE A 25 4.187 -1.253 -0.829 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.389 0.516 -1.103 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.646 0.491 -2.467 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.355 1.383 -2.605 1.00 0.00 H new ATOM 412 N MET A 26 1.387 -3.776 -1.758 1.00 0.00 N ATOM 413 CA MET A 26 1.645 -3.939 -3.177 1.00 0.00 C ATOM 414 C MET A 26 1.364 -2.627 -3.897 1.00 0.00 C ATOM 415 O MET A 26 0.227 -2.145 -3.906 1.00 0.00 O ATOM 416 CB MET A 26 0.783 -5.055 -3.761 1.00 0.00 C ATOM 417 CG MET A 26 1.241 -5.506 -5.135 1.00 0.00 C ATOM 418 SD MET A 26 2.868 -6.276 -5.092 1.00 0.00 S ATOM 419 CE MET A 26 3.104 -6.671 -6.821 1.00 0.00 C ATOM 0 H MET A 26 0.491 -3.341 -1.539 1.00 0.00 H new ATOM 0 HA MET A 26 2.691 -4.213 -3.315 1.00 0.00 H new ATOM 0 HB2 MET A 26 0.796 -5.908 -3.083 1.00 0.00 H new ATOM 0 HB3 MET A 26 -0.250 -4.713 -3.823 1.00 0.00 H new ATOM 0 HG2 MET A 26 0.518 -6.212 -5.543 1.00 0.00 H new ATOM 0 HG3 MET A 26 1.265 -4.649 -5.808 1.00 0.00 H new ATOM 0 HE1 MET A 26 3.758 -7.538 -6.910 1.00 0.00 H new ATOM 0 HE2 MET A 26 2.140 -6.895 -7.278 1.00 0.00 H new ATOM 0 HE3 MET A 26 3.558 -5.821 -7.330 1.00 0.00 H new ATOM 429 N CYS A 27 2.400 -2.049 -4.488 1.00 0.00 N ATOM 430 CA CYS A 27 2.290 -0.741 -5.119 1.00 0.00 C ATOM 431 C CYS A 27 1.425 -0.798 -6.372 1.00 0.00 C ATOM 432 O CYS A 27 1.512 -1.742 -7.155 1.00 0.00 O ATOM 433 CB CYS A 27 3.678 -0.201 -5.468 1.00 0.00 C ATOM 434 SG CYS A 27 3.671 1.451 -6.220 1.00 0.00 S ATOM 0 H CYS A 27 3.329 -2.466 -4.544 1.00 0.00 H new ATOM 0 HA CYS A 27 1.811 -0.069 -4.407 1.00 0.00 H new ATOM 0 HB2 CYS A 27 4.282 -0.172 -4.561 1.00 0.00 H new ATOM 0 HB3 CYS A 27 4.164 -0.897 -6.152 1.00 0.00 H new ATOM 0 HG CYS A 27 4.560 1.500 -7.167 1.00 0.00 H new ATOM 439 N VAL A 28 0.601 0.226 -6.546 1.00 0.00 N ATOM 440 CA VAL A 28 -0.280 0.328 -7.700 1.00 0.00 C ATOM 441 C VAL A 28 0.465 0.987 -8.867 1.00 0.00 C ATOM 442 O VAL A 28 1.546 1.552 -8.682 1.00 0.00 O ATOM 443 CB VAL A 28 -1.554 1.145 -7.350 1.00 0.00 C ATOM 444 CG1 VAL A 28 -2.616 1.018 -8.437 1.00 0.00 C ATOM 445 CG2 VAL A 28 -2.114 0.708 -6.002 1.00 0.00 C ATOM 0 H VAL A 28 0.525 1.006 -5.894 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.587 -0.676 -7.992 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.268 2.195 -7.287 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.493 1.602 -8.159 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.217 1.390 -9.381 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.898 -0.029 -8.549 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.006 1.291 -5.773 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.372 -0.350 -6.041 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.365 0.871 -5.227 1.00 0.00 H new ATOM 581 N HIS A 38 3.264 -2.577 -9.940 1.00 0.00 N ATOM 582 CA HIS A 38 4.433 -1.707 -9.934 1.00 0.00 C ATOM 583 C HIS A 38 5.610 -2.455 -9.345 1.00 0.00 C ATOM 584 O HIS A 38 6.486 -2.920 -10.061 1.00 0.00 O ATOM 585 CB HIS A 38 4.189 -0.407 -9.151 1.00 0.00 C ATOM 586 CG HIS A 38 5.232 0.646 -9.417 1.00 0.00 C ATOM 587 ND1 HIS A 38 5.899 1.361 -8.420 1.00 0.00 N ATOM 588 CD2 HIS A 38 5.718 1.108 -10.593 1.00 0.00 C ATOM 589 CE1 HIS A 38 6.747 2.207 -9.005 1.00 0.00 C ATOM 590 NE2 HIS A 38 6.653 2.071 -10.308 1.00 0.00 N ATOM 0 HA HIS A 38 4.645 -1.424 -10.965 1.00 0.00 H new ATOM 0 HB2 HIS A 38 3.207 -0.012 -9.411 1.00 0.00 H new ATOM 0 HB3 HIS A 38 4.170 -0.630 -8.084 1.00 0.00 H new ATOM 0 HD2 HIS A 38 5.423 0.778 -11.578 1.00 0.00 H new ATOM 0 HE1 HIS A 38 7.404 2.893 -8.491 1.00 0.00 H new ATOM 0 HE2 HIS A 38 7.189 2.597 -10.998 1.00 0.00 H new ATOM 598 N ILE A 39 5.629 -2.549 -8.032 1.00 0.00 N ATOM 599 CA ILE A 39 6.644 -3.318 -7.345 1.00 0.00 C ATOM 600 C ILE A 39 6.053 -3.911 -6.064 1.00 0.00 C ATOM 601 O ILE A 39 5.119 -3.340 -5.487 1.00 0.00 O ATOM 602 CB ILE A 39 7.893 -2.451 -7.039 1.00 0.00 C ATOM 603 CG1 ILE A 39 9.115 -3.334 -6.788 1.00 0.00 C ATOM 604 CG2 ILE A 39 7.653 -1.529 -5.856 1.00 0.00 C ATOM 605 CD1 ILE A 39 9.582 -4.079 -8.017 1.00 0.00 C ATOM 0 H ILE A 39 4.950 -2.100 -7.417 1.00 0.00 H new ATOM 0 HA ILE A 39 6.971 -4.132 -7.993 1.00 0.00 H new ATOM 0 HB ILE A 39 8.085 -1.830 -7.914 1.00 0.00 H new ATOM 0 HG12 ILE A 39 9.931 -2.714 -6.416 1.00 0.00 H new ATOM 0 HG13 ILE A 39 8.879 -4.054 -6.004 1.00 0.00 H new ATOM 0 HG21 ILE A 39 8.548 -0.936 -5.669 1.00 0.00 H new ATOM 0 HG22 ILE A 39 6.817 -0.865 -6.076 1.00 0.00 H new ATOM 0 HG23 ILE A 39 7.421 -2.124 -4.972 1.00 0.00 H new ATOM 0 HD11 ILE A 39 10.452 -4.686 -7.766 1.00 0.00 H new ATOM 0 HD12 ILE A 39 8.781 -4.725 -8.377 1.00 0.00 H new ATOM 0 HD13 ILE A 39 9.850 -3.365 -8.796 1.00 0.00 H new ATOM 617 N PHE A 40 6.572 -5.053 -5.638 1.00 0.00 N ATOM 618 CA PHE A 40 6.095 -5.704 -4.422 1.00 0.00 C ATOM 619 C PHE A 40 6.905 -5.239 -3.219 1.00 0.00 C ATOM 620 O PHE A 40 8.131 -5.160 -3.282 1.00 0.00 O ATOM 621 CB PHE A 40 6.149 -7.234 -4.563 1.00 0.00 C ATOM 622 CG PHE A 40 7.384 -7.755 -5.247 1.00 0.00 C ATOM 623 CD1 PHE A 40 8.540 -8.018 -4.530 1.00 0.00 C ATOM 624 CD2 PHE A 40 7.383 -7.987 -6.615 1.00 0.00 C ATOM 625 CE1 PHE A 40 9.671 -8.498 -5.161 1.00 0.00 C ATOM 626 CE2 PHE A 40 8.511 -8.468 -7.252 1.00 0.00 C ATOM 627 CZ PHE A 40 9.656 -8.724 -6.524 1.00 0.00 C ATOM 0 H PHE A 40 7.324 -5.550 -6.115 1.00 0.00 H new ATOM 0 HA PHE A 40 5.054 -5.420 -4.265 1.00 0.00 H new ATOM 0 HB2 PHE A 40 6.083 -7.680 -3.571 1.00 0.00 H new ATOM 0 HB3 PHE A 40 5.273 -7.566 -5.120 1.00 0.00 H new ATOM 0 HD1 PHE A 40 8.557 -7.845 -3.464 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.490 -7.789 -7.189 1.00 0.00 H new ATOM 0 HE1 PHE A 40 10.566 -8.696 -4.590 1.00 0.00 H new ATOM 0 HE2 PHE A 40 8.497 -8.643 -8.318 1.00 0.00 H new ATOM 0 HZ PHE A 40 10.539 -9.100 -7.019 1.00 0.00 H new ATOM 637 N ILE A 41 6.216 -4.912 -2.131 1.00 0.00 N ATOM 638 CA ILE A 41 6.881 -4.383 -0.945 1.00 0.00 C ATOM 639 C ILE A 41 6.493 -5.163 0.310 1.00 0.00 C ATOM 640 O ILE A 41 5.319 -5.463 0.534 1.00 0.00 O ATOM 641 CB ILE A 41 6.548 -2.885 -0.743 1.00 0.00 C ATOM 642 CG1 ILE A 41 6.974 -2.079 -1.973 1.00 0.00 C ATOM 643 CG2 ILE A 41 7.224 -2.343 0.512 1.00 0.00 C ATOM 644 CD1 ILE A 41 6.632 -0.608 -1.890 1.00 0.00 C ATOM 0 H ILE A 41 5.204 -5.003 -2.045 1.00 0.00 H new ATOM 0 HA ILE A 41 7.953 -4.493 -1.106 1.00 0.00 H new ATOM 0 HB ILE A 41 5.470 -2.786 -0.615 1.00 0.00 H new ATOM 0 HG12 ILE A 41 8.050 -2.185 -2.110 1.00 0.00 H new ATOM 0 HG13 ILE A 41 6.497 -2.504 -2.857 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.975 -1.289 0.633 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.876 -2.900 1.382 1.00 0.00 H new ATOM 0 HG23 ILE A 41 8.305 -2.453 0.419 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.965 -0.105 -2.798 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.553 -0.491 -1.785 1.00 0.00 H new ATOM 0 HD13 ILE A 41 7.130 -0.167 -1.027 1.00 0.00 H new ATOM 656 N ASP A 42 7.485 -5.504 1.117 1.00 0.00 N ATOM 657 CA ASP A 42 7.240 -6.145 2.400 1.00 0.00 C ATOM 658 C ASP A 42 8.086 -5.474 3.472 1.00 0.00 C ATOM 659 O ASP A 42 9.157 -4.933 3.181 1.00 0.00 O ATOM 660 CB ASP A 42 7.563 -7.644 2.342 1.00 0.00 C ATOM 661 CG ASP A 42 9.051 -7.929 2.424 1.00 0.00 C ATOM 662 OD1 ASP A 42 9.750 -7.772 1.402 1.00 0.00 O ATOM 663 OD2 ASP A 42 9.525 -8.311 3.516 1.00 0.00 O ATOM 0 H ASP A 42 8.470 -5.347 0.906 1.00 0.00 H new ATOM 0 HA ASP A 42 6.183 -6.037 2.643 1.00 0.00 H new ATOM 0 HB2 ASP A 42 7.055 -8.152 3.161 1.00 0.00 H new ATOM 0 HB3 ASP A 42 7.169 -8.060 1.415 1.00 0.00 H new ATOM 668 N MET A 43 7.599 -5.478 4.699 1.00 0.00 N ATOM 669 CA MET A 43 8.351 -4.912 5.807 1.00 0.00 C ATOM 670 C MET A 43 9.095 -5.995 6.573 1.00 0.00 C ATOM 671 O MET A 43 10.321 -6.083 6.492 1.00 0.00 O ATOM 672 CB MET A 43 7.441 -4.128 6.749 1.00 0.00 C ATOM 673 CG MET A 43 7.047 -2.766 6.211 1.00 0.00 C ATOM 674 SD MET A 43 6.047 -1.824 7.374 1.00 0.00 S ATOM 675 CE MET A 43 5.938 -0.256 6.515 1.00 0.00 C ATOM 0 H MET A 43 6.690 -5.865 4.954 1.00 0.00 H new ATOM 0 HA MET A 43 9.083 -4.223 5.386 1.00 0.00 H new ATOM 0 HB2 MET A 43 6.539 -4.710 6.939 1.00 0.00 H new ATOM 0 HB3 MET A 43 7.946 -4.000 7.707 1.00 0.00 H new ATOM 0 HG2 MET A 43 7.947 -2.200 5.971 1.00 0.00 H new ATOM 0 HG3 MET A 43 6.493 -2.893 5.281 1.00 0.00 H new ATOM 0 HE1 MET A 43 5.040 0.272 6.834 1.00 0.00 H new ATOM 0 HE2 MET A 43 6.816 0.348 6.747 1.00 0.00 H new ATOM 0 HE3 MET A 43 5.892 -0.432 5.440 1.00 0.00 H new ATOM 685 N GLY A 44 8.353 -6.822 7.301 1.00 0.00 N ATOM 686 CA GLY A 44 8.970 -7.869 8.095 1.00 0.00 C ATOM 687 C GLY A 44 9.815 -7.308 9.221 1.00 0.00 C ATOM 688 O GLY A 44 9.285 -6.789 10.204 1.00 0.00 O ATOM 0 H GLY A 44 7.335 -6.786 7.356 1.00 0.00 H new ATOM 0 HA2 GLY A 44 8.195 -8.513 8.510 1.00 0.00 H new ATOM 0 HA3 GLY A 44 9.591 -8.492 7.452 1.00 0.00 H new ATOM 692 N SER A 45 11.130 -7.391 9.067 1.00 0.00 N ATOM 693 CA SER A 45 12.051 -6.878 10.071 1.00 0.00 C ATOM 694 C SER A 45 12.449 -5.440 9.750 1.00 0.00 C ATOM 695 O SER A 45 13.054 -4.749 10.568 1.00 0.00 O ATOM 696 CB SER A 45 13.293 -7.768 10.148 1.00 0.00 C ATOM 697 OG SER A 45 12.939 -9.112 10.440 1.00 0.00 O ATOM 0 H SER A 45 11.583 -7.810 8.255 1.00 0.00 H new ATOM 0 HA SER A 45 11.550 -6.887 11.039 1.00 0.00 H new ATOM 0 HB2 SER A 45 13.833 -7.728 9.202 1.00 0.00 H new ATOM 0 HB3 SER A 45 13.968 -7.391 10.916 1.00 0.00 H new ATOM 0 HG SER A 45 13.749 -9.662 10.482 1.00 0.00 H new ATOM 703 N THR A 46 12.113 -4.998 8.550 1.00 0.00 N ATOM 704 CA THR A 46 12.382 -3.632 8.139 1.00 0.00 C ATOM 705 C THR A 46 11.087 -2.835 8.070 1.00 0.00 C ATOM 706 O THR A 46 10.332 -2.951 7.106 1.00 0.00 O ATOM 707 CB THR A 46 13.096 -3.587 6.773 1.00 0.00 C ATOM 708 OG1 THR A 46 12.434 -4.459 5.844 1.00 0.00 O ATOM 709 CG2 THR A 46 14.556 -3.994 6.903 1.00 0.00 C ATOM 0 H THR A 46 11.652 -5.568 7.841 1.00 0.00 H new ATOM 0 HA THR A 46 13.041 -3.186 8.884 1.00 0.00 H new ATOM 0 HB THR A 46 13.056 -2.562 6.405 1.00 0.00 H new ATOM 0 HG1 THR A 46 11.619 -4.817 6.255 1.00 0.00 H new ATOM 0 HG21 THR A 46 15.034 -3.953 5.924 1.00 0.00 H new ATOM 0 HG22 THR A 46 15.065 -3.312 7.584 1.00 0.00 H new ATOM 0 HG23 THR A 46 14.617 -5.010 7.294 1.00 0.00 H new ATOM 717 N ASP A 47 10.829 -2.041 9.101 1.00 0.00 N ATOM 718 CA ASP A 47 9.596 -1.262 9.185 1.00 0.00 C ATOM 719 C ASP A 47 9.719 0.019 8.368 1.00 0.00 C ATOM 720 O ASP A 47 8.785 0.819 8.289 1.00 0.00 O ATOM 721 CB ASP A 47 9.265 -0.920 10.643 1.00 0.00 C ATOM 722 CG ASP A 47 9.039 -2.149 11.506 1.00 0.00 C ATOM 723 OD1 ASP A 47 7.955 -2.764 11.420 1.00 0.00 O ATOM 724 OD2 ASP A 47 9.949 -2.506 12.288 1.00 0.00 O ATOM 0 H ASP A 47 11.458 -1.918 9.894 1.00 0.00 H new ATOM 0 HA ASP A 47 8.786 -1.867 8.777 1.00 0.00 H new ATOM 0 HB2 ASP A 47 10.079 -0.331 11.066 1.00 0.00 H new ATOM 0 HB3 ASP A 47 8.372 -0.295 10.670 1.00 0.00 H new ATOM 729 N GLU A 48 10.887 0.219 7.780 1.00 0.00 N ATOM 730 CA GLU A 48 11.126 1.359 6.916 1.00 0.00 C ATOM 731 C GLU A 48 11.401 0.892 5.485 1.00 0.00 C ATOM 732 O GLU A 48 12.441 0.298 5.198 1.00 0.00 O ATOM 733 CB GLU A 48 12.286 2.225 7.451 1.00 0.00 C ATOM 734 CG GLU A 48 13.614 1.490 7.657 1.00 0.00 C ATOM 735 CD GLU A 48 13.623 0.562 8.861 1.00 0.00 C ATOM 736 OE1 GLU A 48 13.866 1.046 9.988 1.00 0.00 O ATOM 737 OE2 GLU A 48 13.396 -0.654 8.687 1.00 0.00 O ATOM 0 H GLU A 48 11.690 -0.401 7.888 1.00 0.00 H new ATOM 0 HA GLU A 48 10.230 1.979 6.908 1.00 0.00 H new ATOM 0 HB2 GLU A 48 12.451 3.050 6.758 1.00 0.00 H new ATOM 0 HB3 GLU A 48 11.981 2.663 8.401 1.00 0.00 H new ATOM 0 HG2 GLU A 48 13.840 0.910 6.762 1.00 0.00 H new ATOM 0 HG3 GLU A 48 14.411 2.225 7.771 1.00 0.00 H new ATOM 744 N LYS A 49 10.451 1.137 4.590 1.00 0.00 N ATOM 745 CA LYS A 49 10.587 0.717 3.202 1.00 0.00 C ATOM 746 C LYS A 49 10.030 1.764 2.247 1.00 0.00 C ATOM 747 O LYS A 49 8.838 2.063 2.264 1.00 0.00 O ATOM 748 CB LYS A 49 9.871 -0.619 2.968 1.00 0.00 C ATOM 749 CG LYS A 49 10.657 -1.841 3.420 1.00 0.00 C ATOM 750 CD LYS A 49 11.901 -2.047 2.569 1.00 0.00 C ATOM 751 CE LYS A 49 12.669 -3.287 2.994 1.00 0.00 C ATOM 752 NZ LYS A 49 11.844 -4.519 2.879 1.00 0.00 N ATOM 0 H LYS A 49 9.580 1.624 4.801 1.00 0.00 H new ATOM 0 HA LYS A 49 11.652 0.596 3.003 1.00 0.00 H new ATOM 0 HB2 LYS A 49 8.916 -0.602 3.493 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.649 -0.717 1.905 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.944 -1.724 4.465 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.023 -2.726 3.360 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.615 -2.137 1.521 1.00 0.00 H new ATOM 0 HD3 LYS A 49 12.547 -1.173 2.650 1.00 0.00 H new ATOM 0 HE2 LYS A 49 13.562 -3.390 2.377 1.00 0.00 H new ATOM 0 HE3 LYS A 49 13.005 -3.170 4.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 11.828 -5.013 3.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 10.873 -4.263 2.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 12.253 -5.144 2.155 1.00 0.00 H new ATOM 766 N ILE A 50 10.892 2.322 1.415 1.00 0.00 N ATOM 767 CA ILE A 50 10.451 3.236 0.376 1.00 0.00 C ATOM 768 C ILE A 50 10.147 2.443 -0.888 1.00 0.00 C ATOM 769 O ILE A 50 10.689 1.358 -1.087 1.00 0.00 O ATOM 770 CB ILE A 50 11.508 4.333 0.079 1.00 0.00 C ATOM 771 CG1 ILE A 50 10.907 5.445 -0.791 1.00 0.00 C ATOM 772 CG2 ILE A 50 12.736 3.736 -0.599 1.00 0.00 C ATOM 773 CD1 ILE A 50 11.860 6.589 -1.063 1.00 0.00 C ATOM 0 H ILE A 50 11.899 2.159 1.438 1.00 0.00 H new ATOM 0 HA ILE A 50 9.552 3.743 0.726 1.00 0.00 H new ATOM 0 HB ILE A 50 11.818 4.766 1.030 1.00 0.00 H new ATOM 0 HG12 ILE A 50 10.587 5.017 -1.741 1.00 0.00 H new ATOM 0 HG13 ILE A 50 10.015 5.836 -0.301 1.00 0.00 H new ATOM 0 HG21 ILE A 50 13.462 4.525 -0.797 1.00 0.00 H new ATOM 0 HG22 ILE A 50 13.183 2.986 0.053 1.00 0.00 H new ATOM 0 HG23 ILE A 50 12.442 3.270 -1.539 1.00 0.00 H new ATOM 0 HD11 ILE A 50 11.365 7.336 -1.684 1.00 0.00 H new ATOM 0 HD12 ILE A 50 12.161 7.044 -0.119 1.00 0.00 H new ATOM 0 HD13 ILE A 50 12.741 6.213 -1.582 1.00 0.00 H new ATOM 785 N CYS A 51 9.270 2.965 -1.727 1.00 0.00 N ATOM 786 CA CYS A 51 8.936 2.290 -2.963 1.00 0.00 C ATOM 787 C CYS A 51 9.800 2.802 -4.099 1.00 0.00 C ATOM 788 O CYS A 51 9.809 4.004 -4.387 1.00 0.00 O ATOM 789 CB CYS A 51 7.462 2.485 -3.314 1.00 0.00 C ATOM 790 SG CYS A 51 6.966 1.666 -4.850 1.00 0.00 S ATOM 0 H CYS A 51 8.781 3.847 -1.575 1.00 0.00 H new ATOM 0 HA CYS A 51 9.124 1.226 -2.820 1.00 0.00 H new ATOM 0 HB2 CYS A 51 6.850 2.106 -2.496 1.00 0.00 H new ATOM 0 HB3 CYS A 51 7.256 3.552 -3.398 1.00 0.00 H new ATOM 0 HG CYS A 51 6.537 2.554 -5.696 1.00 0.00 H new ATOM 795 N PRO A 52 10.552 1.898 -4.743 1.00 0.00 N ATOM 796 CA PRO A 52 11.374 2.231 -5.903 1.00 0.00 C ATOM 797 C PRO A 52 10.563 2.938 -6.983 1.00 0.00 C ATOM 798 O PRO A 52 9.482 2.469 -7.370 1.00 0.00 O ATOM 799 CB PRO A 52 11.861 0.867 -6.403 1.00 0.00 C ATOM 800 CG PRO A 52 11.826 -0.008 -5.199 1.00 0.00 C ATOM 801 CD PRO A 52 10.666 0.472 -4.374 1.00 0.00 C ATOM 0 HA PRO A 52 12.185 2.914 -5.652 1.00 0.00 H new ATOM 0 HB2 PRO A 52 11.216 0.481 -7.193 1.00 0.00 H new ATOM 0 HB3 PRO A 52 12.867 0.932 -6.817 1.00 0.00 H new ATOM 0 HG2 PRO A 52 11.699 -1.054 -5.480 1.00 0.00 H new ATOM 0 HG3 PRO A 52 12.759 0.061 -4.639 1.00 0.00 H new ATOM 0 HD2 PRO A 52 9.753 -0.077 -4.605 1.00 0.00 H new ATOM 0 HD3 PRO A 52 10.852 0.346 -3.307 1.00 0.00 H new ATOM 809 N TYR A 53 11.077 4.080 -7.434 1.00 0.00 N ATOM 810 CA TYR A 53 10.459 4.852 -8.507 1.00 0.00 C ATOM 811 C TYR A 53 9.055 5.306 -8.115 1.00 0.00 C ATOM 812 O TYR A 53 8.078 5.011 -8.803 1.00 0.00 O ATOM 813 CB TYR A 53 10.420 4.029 -9.799 1.00 0.00 C ATOM 814 CG TYR A 53 11.786 3.570 -10.267 1.00 0.00 C ATOM 815 CD1 TYR A 53 12.580 4.392 -11.055 1.00 0.00 C ATOM 816 CD2 TYR A 53 12.279 2.318 -9.920 1.00 0.00 C ATOM 817 CE1 TYR A 53 13.827 3.980 -11.485 1.00 0.00 C ATOM 818 CE2 TYR A 53 13.526 1.900 -10.345 1.00 0.00 C ATOM 819 CZ TYR A 53 14.295 2.736 -11.127 1.00 0.00 C ATOM 820 OH TYR A 53 15.539 2.326 -11.557 1.00 0.00 O ATOM 0 H TYR A 53 11.933 4.495 -7.066 1.00 0.00 H new ATOM 0 HA TYR A 53 11.063 5.743 -8.680 1.00 0.00 H new ATOM 0 HB2 TYR A 53 9.786 3.156 -9.645 1.00 0.00 H new ATOM 0 HB3 TYR A 53 9.957 4.625 -10.586 1.00 0.00 H new ATOM 0 HD1 TYR A 53 12.217 5.369 -11.337 1.00 0.00 H new ATOM 0 HD2 TYR A 53 11.678 1.661 -9.308 1.00 0.00 H new ATOM 0 HE1 TYR A 53 14.432 4.631 -12.099 1.00 0.00 H new ATOM 0 HE2 TYR A 53 13.896 0.924 -10.066 1.00 0.00 H new ATOM 0 HH TYR A 53 15.722 1.425 -11.218 1.00 0.00 H new ATOM 830 N CYS A 54 8.969 6.012 -6.993 1.00 0.00 N ATOM 831 CA CYS A 54 7.702 6.550 -6.505 1.00 0.00 C ATOM 832 C CYS A 54 7.928 7.725 -5.560 1.00 0.00 C ATOM 833 O CYS A 54 7.279 8.761 -5.698 1.00 0.00 O ATOM 834 CB CYS A 54 6.875 5.477 -5.781 1.00 0.00 C ATOM 835 SG CYS A 54 5.877 4.415 -6.862 1.00 0.00 S ATOM 0 H CYS A 54 9.769 6.227 -6.399 1.00 0.00 H new ATOM 0 HA CYS A 54 7.150 6.893 -7.380 1.00 0.00 H new ATOM 0 HB2 CYS A 54 7.552 4.847 -5.203 1.00 0.00 H new ATOM 0 HB3 CYS A 54 6.212 5.970 -5.069 1.00 0.00 H new ATOM 0 HG CYS A 54 6.253 4.577 -8.096 1.00 0.00 H new ATOM 840 N SER A 55 8.860 7.560 -4.613 1.00 0.00 N ATOM 841 CA SER A 55 9.051 8.529 -3.533 1.00 0.00 C ATOM 842 C SER A 55 7.773 8.619 -2.702 1.00 0.00 C ATOM 843 O SER A 55 6.914 9.467 -2.935 1.00 0.00 O ATOM 844 CB SER A 55 9.448 9.903 -4.084 1.00 0.00 C ATOM 845 OG SER A 55 10.611 9.806 -4.893 1.00 0.00 O ATOM 0 H SER A 55 9.494 6.762 -4.575 1.00 0.00 H new ATOM 0 HA SER A 55 9.868 8.191 -2.895 1.00 0.00 H new ATOM 0 HB2 SER A 55 8.626 10.316 -4.669 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.630 10.592 -3.259 1.00 0.00 H new ATOM 0 HG SER A 55 10.846 10.694 -5.236 1.00 0.00 H new ATOM 851 N THR A 56 7.661 7.714 -1.741 1.00 0.00 N ATOM 852 CA THR A 56 6.435 7.462 -1.017 1.00 0.00 C ATOM 853 C THR A 56 6.817 6.570 0.159 1.00 0.00 C ATOM 854 O THR A 56 6.196 5.543 0.407 1.00 0.00 O ATOM 855 CB THR A 56 5.384 6.738 -1.910 1.00 0.00 C ATOM 856 OG1 THR A 56 5.297 7.359 -3.201 1.00 0.00 O ATOM 857 CG2 THR A 56 4.006 6.760 -1.274 1.00 0.00 C ATOM 0 H THR A 56 8.438 7.125 -1.441 1.00 0.00 H new ATOM 0 HA THR A 56 5.982 8.399 -0.693 1.00 0.00 H new ATOM 0 HB THR A 56 5.717 5.705 -2.015 1.00 0.00 H new ATOM 0 HG1 THR A 56 4.633 6.888 -3.746 1.00 0.00 H new ATOM 0 HG21 THR A 56 3.297 6.246 -1.924 1.00 0.00 H new ATOM 0 HG22 THR A 56 4.043 6.257 -0.308 1.00 0.00 H new ATOM 0 HG23 THR A 56 3.687 7.793 -1.133 1.00 0.00 H new ATOM 865 N LEU A 57 7.884 6.979 0.852 1.00 0.00 N ATOM 866 CA LEU A 57 8.550 6.145 1.851 1.00 0.00 C ATOM 867 C LEU A 57 7.557 5.630 2.877 1.00 0.00 C ATOM 868 O LEU A 57 7.087 6.382 3.722 1.00 0.00 O ATOM 869 CB LEU A 57 9.670 6.946 2.535 1.00 0.00 C ATOM 870 CG LEU A 57 10.803 6.123 3.170 1.00 0.00 C ATOM 871 CD1 LEU A 57 11.950 7.035 3.573 1.00 0.00 C ATOM 872 CD2 LEU A 57 10.315 5.339 4.381 1.00 0.00 C ATOM 0 H LEU A 57 8.309 7.899 0.734 1.00 0.00 H new ATOM 0 HA LEU A 57 8.987 5.282 1.349 1.00 0.00 H new ATOM 0 HB2 LEU A 57 10.108 7.620 1.799 1.00 0.00 H new ATOM 0 HB3 LEU A 57 9.222 7.568 3.310 1.00 0.00 H new ATOM 0 HG LEU A 57 11.151 5.408 2.424 1.00 0.00 H new ATOM 0 HD11 LEU A 57 12.747 6.441 4.022 1.00 0.00 H new ATOM 0 HD12 LEU A 57 12.333 7.549 2.691 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.594 7.770 4.295 1.00 0.00 H new ATOM 0 HD21 LEU A 57 11.143 4.769 4.803 1.00 0.00 H new ATOM 0 HD22 LEU A 57 9.930 6.030 5.131 1.00 0.00 H new ATOM 0 HD23 LEU A 57 9.522 4.655 4.077 1.00 0.00 H new ATOM 884 N TYR A 58 7.249 4.345 2.788 1.00 0.00 N ATOM 885 CA TYR A 58 6.285 3.731 3.676 1.00 0.00 C ATOM 886 C TYR A 58 6.943 3.430 5.007 1.00 0.00 C ATOM 887 O TYR A 58 7.747 2.503 5.129 1.00 0.00 O ATOM 888 CB TYR A 58 5.713 2.459 3.050 1.00 0.00 C ATOM 889 CG TYR A 58 5.110 2.688 1.682 1.00 0.00 C ATOM 890 CD1 TYR A 58 3.839 3.237 1.535 1.00 0.00 C ATOM 891 CD2 TYR A 58 5.820 2.365 0.533 1.00 0.00 C ATOM 892 CE1 TYR A 58 3.299 3.458 0.281 1.00 0.00 C ATOM 893 CE2 TYR A 58 5.285 2.582 -0.721 1.00 0.00 C ATOM 894 CZ TYR A 58 4.027 3.129 -0.843 1.00 0.00 C ATOM 895 OH TYR A 58 3.496 3.352 -2.097 1.00 0.00 O ATOM 0 H TYR A 58 7.658 3.708 2.104 1.00 0.00 H new ATOM 0 HA TYR A 58 5.458 4.422 3.841 1.00 0.00 H new ATOM 0 HB2 TYR A 58 6.504 1.713 2.971 1.00 0.00 H new ATOM 0 HB3 TYR A 58 4.951 2.047 3.712 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.266 3.494 2.414 1.00 0.00 H new ATOM 0 HD2 TYR A 58 6.807 1.937 0.622 1.00 0.00 H new ATOM 0 HE1 TYR A 58 2.312 3.886 0.183 1.00 0.00 H new ATOM 0 HE2 TYR A 58 5.851 2.324 -1.604 1.00 0.00 H new ATOM 0 HH TYR A 58 2.916 2.602 -2.345 1.00 0.00 H new ATOM 905 N ARG A 59 6.627 4.247 5.989 1.00 0.00 N ATOM 906 CA ARG A 59 7.240 4.138 7.293 1.00 0.00 C ATOM 907 C ARG A 59 6.248 3.575 8.300 1.00 0.00 C ATOM 908 O ARG A 59 5.118 4.053 8.413 1.00 0.00 O ATOM 909 CB ARG A 59 7.734 5.510 7.751 1.00 0.00 C ATOM 910 CG ARG A 59 8.634 5.460 8.971 1.00 0.00 C ATOM 911 CD ARG A 59 8.939 6.855 9.487 1.00 0.00 C ATOM 912 NE ARG A 59 7.742 7.511 10.001 1.00 0.00 N ATOM 913 CZ ARG A 59 7.720 8.282 11.079 1.00 0.00 C ATOM 914 NH1 ARG A 59 8.850 8.598 11.700 1.00 0.00 N ATOM 915 NH2 ARG A 59 6.561 8.757 11.512 1.00 0.00 N ATOM 0 H ARG A 59 5.943 4.999 5.906 1.00 0.00 H new ATOM 0 HA ARG A 59 8.089 3.458 7.226 1.00 0.00 H new ATOM 0 HB2 ARG A 59 8.274 5.984 6.931 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.873 6.141 7.972 1.00 0.00 H new ATOM 0 HG2 ARG A 59 8.154 4.876 9.756 1.00 0.00 H new ATOM 0 HG3 ARG A 59 9.564 4.951 8.719 1.00 0.00 H new ATOM 0 HD2 ARG A 59 9.689 6.796 10.276 1.00 0.00 H new ATOM 0 HD3 ARG A 59 9.367 7.455 8.684 1.00 0.00 H new ATOM 0 HE ARG A 59 6.866 7.367 9.499 1.00 0.00 H new ATOM 0 HH11 ARG A 59 9.741 8.247 11.348 1.00 0.00 H new ATOM 0 HH12 ARG A 59 8.827 9.192 12.529 1.00 0.00 H new ATOM 0 HH21 ARG A 59 5.699 8.528 11.017 1.00 0.00 H new ATOM 0 HH22 ARG A 59 6.531 9.351 12.340 1.00 0.00 H new ATOM 929 N TYR A 60 6.670 2.543 9.002 1.00 0.00 N ATOM 930 CA TYR A 60 5.873 1.958 10.063 1.00 0.00 C ATOM 931 C TYR A 60 6.303 2.556 11.396 1.00 0.00 C ATOM 932 O TYR A 60 7.481 2.502 11.755 1.00 0.00 O ATOM 933 CB TYR A 60 6.067 0.441 10.066 1.00 0.00 C ATOM 934 CG TYR A 60 5.089 -0.326 10.925 1.00 0.00 C ATOM 935 CD1 TYR A 60 3.875 -0.752 10.404 1.00 0.00 C ATOM 936 CD2 TYR A 60 5.389 -0.647 12.242 1.00 0.00 C ATOM 937 CE1 TYR A 60 2.986 -1.477 11.172 1.00 0.00 C ATOM 938 CE2 TYR A 60 4.502 -1.368 13.018 1.00 0.00 C ATOM 939 CZ TYR A 60 3.303 -1.781 12.477 1.00 0.00 C ATOM 940 OH TYR A 60 2.426 -2.517 13.239 1.00 0.00 O ATOM 0 H TYR A 60 7.571 2.087 8.855 1.00 0.00 H new ATOM 0 HA TYR A 60 4.817 2.174 9.903 1.00 0.00 H new ATOM 0 HB2 TYR A 60 5.990 0.078 9.041 1.00 0.00 H new ATOM 0 HB3 TYR A 60 7.078 0.220 10.407 1.00 0.00 H new ATOM 0 HD1 TYR A 60 3.622 -0.513 9.382 1.00 0.00 H new ATOM 0 HD2 TYR A 60 6.330 -0.328 12.666 1.00 0.00 H new ATOM 0 HE1 TYR A 60 2.047 -1.804 10.751 1.00 0.00 H new ATOM 0 HE2 TYR A 60 4.746 -1.607 14.043 1.00 0.00 H new ATOM 0 HH TYR A 60 1.759 -2.936 12.656 1.00 0.00 H new ATOM 950 N ASP A 61 5.369 3.153 12.116 1.00 0.00 N ATOM 951 CA ASP A 61 5.693 3.775 13.391 1.00 0.00 C ATOM 952 C ASP A 61 4.844 3.177 14.501 1.00 0.00 C ATOM 953 O ASP A 61 3.638 3.021 14.341 1.00 0.00 O ATOM 954 CB ASP A 61 5.483 5.289 13.327 1.00 0.00 C ATOM 955 CG ASP A 61 6.032 5.998 14.549 1.00 0.00 C ATOM 956 OD1 ASP A 61 5.361 5.997 15.599 1.00 0.00 O ATOM 957 OD2 ASP A 61 7.148 6.548 14.468 1.00 0.00 O ATOM 0 H ASP A 61 4.388 3.221 11.844 1.00 0.00 H new ATOM 0 HA ASP A 61 6.744 3.582 13.606 1.00 0.00 H new ATOM 0 HB2 ASP A 61 5.967 5.683 12.433 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.418 5.502 13.234 1.00 0.00 H new ATOM 962 N PRO A 62 5.469 2.832 15.637 1.00 0.00 N ATOM 963 CA PRO A 62 4.786 2.196 16.775 1.00 0.00 C ATOM 964 C PRO A 62 3.550 2.959 17.266 1.00 0.00 C ATOM 965 O PRO A 62 2.634 2.362 17.834 1.00 0.00 O ATOM 966 CB PRO A 62 5.859 2.182 17.865 1.00 0.00 C ATOM 967 CG PRO A 62 7.148 2.181 17.122 1.00 0.00 C ATOM 968 CD PRO A 62 6.911 3.013 15.897 1.00 0.00 C ATOM 0 HA PRO A 62 4.403 1.214 16.498 1.00 0.00 H new ATOM 0 HB2 PRO A 62 5.776 3.054 18.514 1.00 0.00 H new ATOM 0 HB3 PRO A 62 5.767 1.301 18.501 1.00 0.00 H new ATOM 0 HG2 PRO A 62 7.951 2.599 17.730 1.00 0.00 H new ATOM 0 HG3 PRO A 62 7.445 1.167 16.855 1.00 0.00 H new ATOM 0 HD2 PRO A 62 7.161 4.060 16.068 1.00 0.00 H new ATOM 0 HD3 PRO A 62 7.517 2.674 15.057 1.00 0.00 H new ATOM 976 N SER A 63 3.515 4.271 17.042 1.00 0.00 N ATOM 977 CA SER A 63 2.402 5.084 17.527 1.00 0.00 C ATOM 978 C SER A 63 1.154 4.882 16.669 1.00 0.00 C ATOM 979 O SER A 63 0.043 5.212 17.087 1.00 0.00 O ATOM 980 CB SER A 63 2.787 6.567 17.578 1.00 0.00 C ATOM 981 OG SER A 63 3.182 7.057 16.304 1.00 0.00 O ATOM 0 H SER A 63 4.233 4.788 16.535 1.00 0.00 H new ATOM 0 HA SER A 63 2.171 4.756 18.540 1.00 0.00 H new ATOM 0 HB2 SER A 63 1.941 7.149 17.944 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.602 6.706 18.289 1.00 0.00 H new ATOM 0 HG SER A 63 4.153 6.965 16.205 1.00 0.00 H new ATOM 987 N LEU A 64 1.335 4.334 15.476 1.00 0.00 N ATOM 988 CA LEU A 64 0.214 4.049 14.598 1.00 0.00 C ATOM 989 C LEU A 64 0.138 2.550 14.328 1.00 0.00 C ATOM 990 O LEU A 64 1.159 1.866 14.261 1.00 0.00 O ATOM 991 CB LEU A 64 0.314 4.859 13.293 1.00 0.00 C ATOM 992 CG LEU A 64 1.592 4.665 12.471 1.00 0.00 C ATOM 993 CD1 LEU A 64 1.328 3.769 11.271 1.00 0.00 C ATOM 994 CD2 LEU A 64 2.142 6.011 12.021 1.00 0.00 C ATOM 0 H LEU A 64 2.247 4.079 15.096 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.709 4.354 15.091 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.539 4.603 12.665 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.222 5.917 13.539 1.00 0.00 H new ATOM 0 HG LEU A 64 2.336 4.179 13.102 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.248 3.644 10.701 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.979 2.795 11.614 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.567 4.225 10.637 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.050 5.857 11.438 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.399 6.521 11.407 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.371 6.621 12.895 1.00 0.00 H new ATOM 1006 N SER A 65 -1.071 2.038 14.208 1.00 0.00 N ATOM 1007 CA SER A 65 -1.273 0.609 14.053 1.00 0.00 C ATOM 1008 C SER A 65 -2.045 0.299 12.773 1.00 0.00 C ATOM 1009 O SER A 65 -2.247 1.180 11.938 1.00 0.00 O ATOM 1010 CB SER A 65 -2.009 0.072 15.278 1.00 0.00 C ATOM 1011 OG SER A 65 -1.268 0.319 16.464 1.00 0.00 O ATOM 0 H SER A 65 -1.929 2.589 14.215 1.00 0.00 H new ATOM 0 HA SER A 65 -0.303 0.118 13.972 1.00 0.00 H new ATOM 0 HB2 SER A 65 -2.990 0.542 15.353 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.177 -0.999 15.166 1.00 0.00 H new ATOM 0 HG SER A 65 -1.759 -0.032 17.236 1.00 0.00 H new ATOM 1017 N TYR A 66 -2.492 -0.949 12.637 1.00 0.00 N ATOM 1018 CA TYR A 66 -3.175 -1.411 11.426 1.00 0.00 C ATOM 1019 C TYR A 66 -4.464 -0.630 11.180 1.00 0.00 C ATOM 1020 O TYR A 66 -4.959 -0.559 10.057 1.00 0.00 O ATOM 1021 CB TYR A 66 -3.498 -2.905 11.536 1.00 0.00 C ATOM 1022 CG TYR A 66 -2.285 -3.811 11.588 1.00 0.00 C ATOM 1023 CD1 TYR A 66 -1.436 -3.811 12.687 1.00 0.00 C ATOM 1024 CD2 TYR A 66 -1.997 -4.674 10.539 1.00 0.00 C ATOM 1025 CE1 TYR A 66 -0.337 -4.642 12.741 1.00 0.00 C ATOM 1026 CE2 TYR A 66 -0.900 -5.512 10.587 1.00 0.00 C ATOM 1027 CZ TYR A 66 -0.075 -5.491 11.690 1.00 0.00 C ATOM 1028 OH TYR A 66 1.016 -6.325 11.742 1.00 0.00 O ATOM 0 H TYR A 66 -2.393 -1.665 13.357 1.00 0.00 H new ATOM 0 HA TYR A 66 -2.503 -1.242 10.585 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -4.096 -3.069 12.432 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -4.114 -3.194 10.685 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -1.640 -3.148 13.515 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -2.641 -4.690 9.672 1.00 0.00 H new ATOM 0 HE1 TYR A 66 0.314 -4.627 13.603 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -0.690 -6.180 9.765 1.00 0.00 H new ATOM 0 HH TYR A 66 1.058 -6.860 10.922 1.00 0.00 H new ATOM 1038 N ASN A 67 -4.999 -0.042 12.241 1.00 0.00 N ATOM 1039 CA ASN A 67 -6.248 0.705 12.156 1.00 0.00 C ATOM 1040 C ASN A 67 -5.995 2.181 11.871 1.00 0.00 C ATOM 1041 O ASN A 67 -6.921 2.992 11.890 1.00 0.00 O ATOM 1042 CB ASN A 67 -7.042 0.551 13.456 1.00 0.00 C ATOM 1043 CG ASN A 67 -7.586 -0.852 13.646 1.00 0.00 C ATOM 1044 OD1 ASN A 67 -6.921 -1.719 14.218 1.00 0.00 O ATOM 1045 ND2 ASN A 67 -8.802 -1.085 13.176 1.00 0.00 N ATOM 0 H ASN A 67 -4.587 -0.068 13.174 1.00 0.00 H new ATOM 0 HA ASN A 67 -6.827 0.297 11.328 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -6.402 0.806 14.301 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -7.869 1.261 13.458 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -9.221 -2.009 13.281 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -9.319 -0.340 12.709 1.00 0.00 H new ATOM 1052 N GLN A 68 -4.744 2.528 11.601 1.00 0.00 N ATOM 1053 CA GLN A 68 -4.384 3.906 11.298 1.00 0.00 C ATOM 1054 C GLN A 68 -3.499 3.984 10.063 1.00 0.00 C ATOM 1055 O GLN A 68 -3.112 2.963 9.495 1.00 0.00 O ATOM 1056 CB GLN A 68 -3.675 4.567 12.479 1.00 0.00 C ATOM 1057 CG GLN A 68 -4.617 5.066 13.560 1.00 0.00 C ATOM 1058 CD GLN A 68 -3.907 5.917 14.592 1.00 0.00 C ATOM 1059 OE1 GLN A 68 -2.735 5.705 14.890 1.00 0.00 O ATOM 1060 NE2 GLN A 68 -4.612 6.892 15.143 1.00 0.00 N ATOM 0 H GLN A 68 -3.961 1.874 11.586 1.00 0.00 H new ATOM 0 HA GLN A 68 -5.312 4.443 11.101 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -2.979 3.853 12.919 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -3.082 5.405 12.112 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -5.417 5.647 13.102 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -5.084 4.214 14.054 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -5.584 7.036 14.869 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -4.184 7.499 15.842 1.00 0.00 H new ATOM 1069 N THR A 69 -3.182 5.204 9.662 1.00 0.00 N ATOM 1070 CA THR A 69 -2.362 5.444 8.493 1.00 0.00 C ATOM 1071 C THR A 69 -1.807 6.874 8.547 1.00 0.00 C ATOM 1072 O THR A 69 -1.581 7.412 9.634 1.00 0.00 O ATOM 1073 CB THR A 69 -3.172 5.191 7.191 1.00 0.00 C ATOM 1074 OG1 THR A 69 -2.330 5.305 6.031 1.00 0.00 O ATOM 1075 CG2 THR A 69 -4.351 6.151 7.067 1.00 0.00 C ATOM 0 H THR A 69 -3.487 6.053 10.139 1.00 0.00 H new ATOM 0 HA THR A 69 -1.524 4.747 8.488 1.00 0.00 H new ATOM 0 HB THR A 69 -3.561 4.175 7.250 1.00 0.00 H new ATOM 0 HG1 THR A 69 -1.390 5.287 6.306 1.00 0.00 H new ATOM 0 HG21 THR A 69 -4.893 5.944 6.145 1.00 0.00 H new ATOM 0 HG22 THR A 69 -5.019 6.019 7.918 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.984 7.177 7.049 1.00 0.00 H new ATOM 1083 N ASN A 70 -1.613 7.490 7.395 1.00 0.00 N ATOM 1084 CA ASN A 70 -0.965 8.786 7.322 1.00 0.00 C ATOM 1085 C ASN A 70 -1.993 9.906 7.156 1.00 0.00 C ATOM 1086 O ASN A 70 -3.173 9.643 6.918 1.00 0.00 O ATOM 1087 CB ASN A 70 0.016 8.791 6.148 1.00 0.00 C ATOM 1088 CG ASN A 70 -0.669 8.626 4.802 1.00 0.00 C ATOM 1089 OD1 ASN A 70 -0.867 7.509 4.328 1.00 0.00 O ATOM 1090 ND2 ASN A 70 -1.032 9.735 4.177 1.00 0.00 N ATOM 0 H ASN A 70 -1.897 7.110 6.492 1.00 0.00 H new ATOM 0 HA ASN A 70 -0.426 8.964 8.253 1.00 0.00 H new ATOM 0 HB2 ASN A 70 0.575 9.727 6.153 1.00 0.00 H new ATOM 0 HB3 ASN A 70 0.739 7.987 6.283 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -1.494 9.681 3.269 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -0.850 10.644 4.603 1.00 0.00 H new ATOM 1097 N PRO A 71 -1.560 11.171 7.323 1.00 0.00 N ATOM 1098 CA PRO A 71 -2.416 12.339 7.082 1.00 0.00 C ATOM 1099 C PRO A 71 -2.971 12.343 5.662 1.00 0.00 C ATOM 1100 O PRO A 71 -2.212 12.195 4.702 1.00 0.00 O ATOM 1101 CB PRO A 71 -1.474 13.529 7.284 1.00 0.00 C ATOM 1102 CG PRO A 71 -0.376 13.009 8.143 1.00 0.00 C ATOM 1103 CD PRO A 71 -0.212 11.563 7.774 1.00 0.00 C ATOM 0 HA PRO A 71 -3.283 12.355 7.742 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -1.090 13.895 6.332 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -1.988 14.363 7.762 1.00 0.00 H new ATOM 0 HG2 PRO A 71 0.548 13.562 7.973 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -0.623 13.117 9.199 1.00 0.00 H new ATOM 0 HD2 PRO A 71 0.530 11.431 6.986 1.00 0.00 H new ATOM 0 HD3 PRO A 71 0.117 10.966 8.625 1.00 0.00 H new ATOM 1111 N THR A 72 -4.285 12.537 5.547 1.00 0.00 N ATOM 1112 CA THR A 72 -4.999 12.432 4.273 1.00 0.00 C ATOM 1113 C THR A 72 -5.196 10.962 3.885 1.00 0.00 C ATOM 1114 O THR A 72 -4.298 10.137 4.053 1.00 0.00 O ATOM 1115 CB THR A 72 -4.275 13.197 3.137 1.00 0.00 C ATOM 1116 OG1 THR A 72 -4.074 14.564 3.526 1.00 0.00 O ATOM 1117 CG2 THR A 72 -5.074 13.152 1.841 1.00 0.00 C ATOM 0 H THR A 72 -4.886 12.772 6.337 1.00 0.00 H new ATOM 0 HA THR A 72 -5.975 12.897 4.410 1.00 0.00 H new ATOM 0 HB THR A 72 -3.314 12.713 2.964 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.614 15.045 2.806 1.00 0.00 H new ATOM 0 HG21 THR A 72 -4.539 13.698 1.064 1.00 0.00 H new ATOM 0 HG22 THR A 72 -5.206 12.115 1.531 1.00 0.00 H new ATOM 0 HG23 THR A 72 -6.050 13.610 1.999 1.00 0.00 H new ATOM 1125 N GLY A 73 -6.389 10.638 3.392 1.00 0.00 N ATOM 1126 CA GLY A 73 -6.710 9.266 3.040 1.00 0.00 C ATOM 1127 C GLY A 73 -5.984 8.788 1.797 1.00 0.00 C ATOM 1128 O GLY A 73 -6.539 8.804 0.699 1.00 0.00 O ATOM 0 H GLY A 73 -7.143 11.306 3.230 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -6.457 8.614 3.876 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -7.785 9.179 2.882 1.00 0.00 H new ATOM 1132 N CYS A 74 -4.743 8.357 1.972 1.00 0.00 N ATOM 1133 CA CYS A 74 -3.944 7.842 0.868 1.00 0.00 C ATOM 1134 C CYS A 74 -4.141 6.339 0.702 1.00 0.00 C ATOM 1135 O CYS A 74 -3.384 5.678 0.001 1.00 0.00 O ATOM 1136 CB CYS A 74 -2.467 8.153 1.101 1.00 0.00 C ATOM 1137 SG CYS A 74 -2.117 9.914 1.282 1.00 0.00 S ATOM 0 H CYS A 74 -4.265 8.354 2.873 1.00 0.00 H new ATOM 0 HA CYS A 74 -4.275 8.332 -0.048 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -2.132 7.631 1.997 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -1.886 7.760 0.267 1.00 0.00 H new ATOM 0 HG CYS A 74 -0.855 10.131 1.059 1.00 0.00 H new ATOM 1143 N LEU A 75 -5.164 5.804 1.346 1.00 0.00 N ATOM 1144 CA LEU A 75 -5.494 4.396 1.210 1.00 0.00 C ATOM 1145 C LEU A 75 -6.428 4.192 0.025 1.00 0.00 C ATOM 1146 O LEU A 75 -7.388 4.948 -0.152 1.00 0.00 O ATOM 1147 CB LEU A 75 -6.148 3.871 2.490 1.00 0.00 C ATOM 1148 CG LEU A 75 -7.393 4.639 2.939 1.00 0.00 C ATOM 1149 CD1 LEU A 75 -8.549 3.683 3.184 1.00 0.00 C ATOM 1150 CD2 LEU A 75 -7.094 5.449 4.193 1.00 0.00 C ATOM 0 H LEU A 75 -5.781 6.324 1.969 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.573 3.839 1.038 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.418 2.826 2.340 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.413 3.898 3.294 1.00 0.00 H new ATOM 0 HG LEU A 75 -7.680 5.327 2.144 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -9.426 4.247 3.503 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.778 3.145 2.264 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -8.273 2.971 3.962 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -7.990 5.989 4.499 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -6.783 4.778 4.994 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -6.295 6.160 3.985 1.00 0.00 H new ATOM 1162 N TYR A 76 -6.154 3.179 -0.782 1.00 0.00 N ATOM 1163 CA TYR A 76 -6.978 2.910 -1.947 1.00 0.00 C ATOM 1164 C TYR A 76 -8.220 2.142 -1.522 1.00 0.00 C ATOM 1165 O TYR A 76 -8.127 1.089 -0.893 1.00 0.00 O ATOM 1166 CB TYR A 76 -6.200 2.125 -3.008 1.00 0.00 C ATOM 1167 CG TYR A 76 -6.946 1.981 -4.316 1.00 0.00 C ATOM 1168 CD1 TYR A 76 -6.930 3.002 -5.259 1.00 0.00 C ATOM 1169 CD2 TYR A 76 -7.671 0.832 -4.605 1.00 0.00 C ATOM 1170 CE1 TYR A 76 -7.614 2.882 -6.453 1.00 0.00 C ATOM 1171 CE2 TYR A 76 -8.359 0.706 -5.798 1.00 0.00 C ATOM 1172 CZ TYR A 76 -8.328 1.731 -6.717 1.00 0.00 C ATOM 1173 OH TYR A 76 -9.011 1.608 -7.905 1.00 0.00 O ATOM 0 H TYR A 76 -5.374 2.535 -0.653 1.00 0.00 H new ATOM 0 HA TYR A 76 -7.273 3.860 -2.392 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -5.249 2.624 -3.194 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -5.969 1.133 -2.619 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -6.373 3.905 -5.055 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -7.698 0.025 -3.888 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -7.590 3.684 -7.176 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -8.919 -0.193 -6.008 1.00 0.00 H new ATOM 0 HH TYR A 76 -9.461 0.738 -7.935 1.00 0.00 H new ATOM 1183 N ASN A 77 -9.378 2.678 -1.862 1.00 0.00 N ATOM 1184 CA ASN A 77 -10.636 2.105 -1.417 1.00 0.00 C ATOM 1185 C ASN A 77 -11.438 1.537 -2.587 1.00 0.00 C ATOM 1186 O ASN A 77 -11.835 2.266 -3.501 1.00 0.00 O ATOM 1187 CB ASN A 77 -11.461 3.151 -0.649 1.00 0.00 C ATOM 1188 CG ASN A 77 -11.736 4.416 -1.448 1.00 0.00 C ATOM 1189 OD1 ASN A 77 -12.757 4.533 -2.128 1.00 0.00 O ATOM 1190 ND2 ASN A 77 -10.830 5.380 -1.363 1.00 0.00 N ATOM 0 H ASN A 77 -9.474 3.509 -2.445 1.00 0.00 H new ATOM 0 HA ASN A 77 -10.407 1.279 -0.744 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -12.410 2.706 -0.351 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -10.933 3.417 0.267 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -10.966 6.254 -1.871 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -9.997 5.248 -0.790 1.00 0.00 H new