USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 619 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 100 ASN : amide:sc= 0.543 K(o=0.091,f=-1.8) USER MOD Set 1.2: A 101 ASN : amide:sc= -0.452 K(o=0.091,f=-2.9) USER MOD Set 2.1: A 86 MET CE :methyl 147:sc= -0.22 (180deg=0) USER MOD Set 2.2: A 90 HIS : no HD1:sc= -1.4 K(o=-1.6,f=-3.6) USER MOD Single : A 20 HIS : no HD1:sc= -2! C(o=-2!,f=-4.7!) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot -89:sc= 1.2 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.088) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 37 HIS : no HD1:sc= -1.79! C(o=-1.8!,f=-6.3!) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 44 GLN : amide:sc= -0.117 X(o=-0.12,f=-0.12) USER MOD Single : A 45 HIS : no HD1:sc= -4.83! C(o=-4.8!,f=-9.7!) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 56 LYS NZ :NH3+ -159:sc= -0.123 (180deg=-0.685) USER MOD Single : A 57 CYS SG : rot 76:sc= 0.553 USER MOD Single : A 60 HIS : no HE2:sc= -0.157 K(o=-0.16,f=-0.77) USER MOD Single : A 71 LYS NZ :NH3+ -161:sc= -0.0714 (180deg=-0.597) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.232 X(o=-0.23,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 MET CE :methyl 159:sc= -0.426 (180deg=-1.47) USER MOD Single : A 95 GLN : amide:sc= -0.145 X(o=-0.15,f=-0.15) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 108 N HIS A 20 12.577 -2.123 -8.258 1.00 0.00 N ATOM 109 CA HIS A 20 12.748 -1.406 -6.983 1.00 0.00 C ATOM 110 C HIS A 20 11.490 -0.594 -6.669 1.00 0.00 C ATOM 111 O HIS A 20 11.556 0.618 -6.449 1.00 0.00 O ATOM 112 CB HIS A 20 13.983 -0.475 -7.072 1.00 0.00 C ATOM 113 CG HIS A 20 13.873 0.402 -8.293 1.00 0.00 C ATOM 114 ND1 HIS A 20 12.649 0.751 -8.854 1.00 0.00 N ATOM 115 CD2 HIS A 20 14.823 0.995 -9.078 1.00 0.00 C ATOM 116 CE1 HIS A 20 12.898 1.519 -9.927 1.00 0.00 C ATOM 117 NE2 HIS A 20 14.209 1.700 -10.110 1.00 0.00 N ATOM 0 HA HIS A 20 12.906 -2.127 -6.181 1.00 0.00 H new ATOM 0 HB2 HIS A 20 14.051 0.141 -6.175 1.00 0.00 H new ATOM 0 HB3 HIS A 20 14.895 -1.069 -7.121 1.00 0.00 H new ATOM 0 HD2 HIS A 20 15.889 0.927 -8.921 1.00 0.00 H new ATOM 0 HE1 HIS A 20 12.133 1.939 -10.563 1.00 0.00 H new ATOM 0 HE2 HIS A 20 14.663 2.239 -10.848 1.00 0.00 H new ATOM 125 N MET A 21 10.342 -1.268 -6.650 1.00 0.00 N ATOM 126 CA MET A 21 9.060 -0.610 -6.364 1.00 0.00 C ATOM 127 C MET A 21 9.076 -0.021 -4.959 1.00 0.00 C ATOM 128 O MET A 21 8.356 0.933 -4.665 1.00 0.00 O ATOM 129 CB MET A 21 7.909 -1.627 -6.510 1.00 0.00 C ATOM 130 CG MET A 21 7.900 -2.240 -7.933 1.00 0.00 C ATOM 131 SD MET A 21 7.485 -0.956 -9.142 1.00 0.00 S ATOM 132 CE MET A 21 7.462 -2.024 -10.594 1.00 0.00 C ATOM 0 H MET A 21 10.269 -2.270 -6.829 1.00 0.00 H new ATOM 0 HA MET A 21 8.906 0.201 -7.076 1.00 0.00 H new ATOM 0 HB2 MET A 21 8.019 -2.418 -5.768 1.00 0.00 H new ATOM 0 HB3 MET A 21 6.956 -1.136 -6.314 1.00 0.00 H new ATOM 0 HG2 MET A 21 8.876 -2.668 -8.162 1.00 0.00 H new ATOM 0 HG3 MET A 21 7.175 -3.052 -7.986 1.00 0.00 H new ATOM 0 HE1 MET A 21 7.222 -1.432 -11.477 1.00 0.00 H new ATOM 0 HE2 MET A 21 8.441 -2.486 -10.722 1.00 0.00 H new ATOM 0 HE3 MET A 21 6.709 -2.801 -10.462 1.00 0.00 H new ATOM 142 N ALA A 22 9.897 -0.605 -4.089 1.00 0.00 N ATOM 143 CA ALA A 22 10.001 -0.141 -2.703 1.00 0.00 C ATOM 144 C ALA A 22 10.298 1.361 -2.664 1.00 0.00 C ATOM 145 O ALA A 22 9.788 2.084 -1.806 1.00 0.00 O ATOM 146 CB ALA A 22 11.119 -0.913 -1.973 1.00 0.00 C ATOM 0 H ALA A 22 10.498 -1.397 -4.315 1.00 0.00 H new ATOM 0 HA ALA A 22 9.051 -0.324 -2.202 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.190 -0.563 -0.943 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.889 -1.978 -1.979 1.00 0.00 H new ATOM 0 HB3 ALA A 22 12.069 -0.744 -2.480 1.00 0.00 H new ATOM 152 N SER A 23 11.125 1.821 -3.613 1.00 0.00 N ATOM 153 CA SER A 23 11.488 3.237 -3.696 1.00 0.00 C ATOM 154 C SER A 23 10.263 4.075 -4.009 1.00 0.00 C ATOM 155 O SER A 23 10.083 5.156 -3.456 1.00 0.00 O ATOM 156 CB SER A 23 12.543 3.448 -4.798 1.00 0.00 C ATOM 157 OG SER A 23 11.970 3.139 -6.064 1.00 0.00 O ATOM 0 H SER A 23 11.552 1.234 -4.330 1.00 0.00 H new ATOM 0 HA SER A 23 11.900 3.545 -2.735 1.00 0.00 H new ATOM 0 HB2 SER A 23 12.895 4.480 -4.787 1.00 0.00 H new ATOM 0 HB3 SER A 23 13.410 2.813 -4.614 1.00 0.00 H new ATOM 0 HG SER A 23 12.091 2.185 -6.254 1.00 0.00 H new ATOM 163 N LYS A 24 9.413 3.572 -4.905 1.00 0.00 N ATOM 164 CA LYS A 24 8.206 4.303 -5.299 1.00 0.00 C ATOM 165 C LYS A 24 7.338 4.598 -4.078 1.00 0.00 C ATOM 166 O LYS A 24 6.805 5.703 -3.920 1.00 0.00 O ATOM 167 CB LYS A 24 7.403 3.475 -6.327 1.00 0.00 C ATOM 168 CG LYS A 24 6.233 4.315 -6.903 1.00 0.00 C ATOM 169 CD LYS A 24 5.451 3.507 -7.958 1.00 0.00 C ATOM 170 CE LYS A 24 4.289 4.354 -8.508 1.00 0.00 C ATOM 171 NZ LYS A 24 3.557 3.560 -9.514 1.00 0.00 N ATOM 0 H LYS A 24 9.535 2.671 -5.368 1.00 0.00 H new ATOM 0 HA LYS A 24 8.503 5.249 -5.752 1.00 0.00 H new ATOM 0 HB2 LYS A 24 8.059 3.152 -7.135 1.00 0.00 H new ATOM 0 HB3 LYS A 24 7.013 2.574 -5.853 1.00 0.00 H new ATOM 0 HG2 LYS A 24 5.563 4.615 -6.097 1.00 0.00 H new ATOM 0 HG3 LYS A 24 6.621 5.229 -7.352 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.116 3.214 -8.771 1.00 0.00 H new ATOM 0 HD3 LYS A 24 5.066 2.589 -7.514 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.620 4.648 -7.699 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.670 5.272 -8.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.769 4.122 -9.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.202 3.301 -10.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 3.184 2.696 -9.070 1.00 0.00 H new ATOM 185 N ARG A 25 7.195 3.594 -3.219 1.00 0.00 N ATOM 186 CA ARG A 25 6.395 3.744 -2.008 1.00 0.00 C ATOM 187 C ARG A 25 7.036 4.775 -1.087 1.00 0.00 C ATOM 188 O ARG A 25 6.341 5.559 -0.439 1.00 0.00 O ATOM 189 CB ARG A 25 6.263 2.390 -1.284 1.00 0.00 C ATOM 190 CG ARG A 25 5.317 2.523 -0.050 1.00 0.00 C ATOM 191 CD ARG A 25 5.149 1.169 0.637 1.00 0.00 C ATOM 192 NE ARG A 25 6.453 0.698 1.122 1.00 0.00 N ATOM 193 CZ ARG A 25 6.595 -0.503 1.686 1.00 0.00 C ATOM 194 NH1 ARG A 25 5.556 -1.285 1.807 1.00 0.00 N ATOM 195 NH2 ARG A 25 7.762 -0.895 2.109 1.00 0.00 N ATOM 0 H ARG A 25 7.619 2.674 -3.337 1.00 0.00 H new ATOM 0 HA ARG A 25 5.398 4.088 -2.284 1.00 0.00 H new ATOM 0 HB2 ARG A 25 5.872 1.640 -1.971 1.00 0.00 H new ATOM 0 HB3 ARG A 25 7.246 2.045 -0.962 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.726 3.248 0.654 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.345 2.901 -0.367 1.00 0.00 H new ATOM 0 HD2 ARG A 25 4.450 1.256 1.469 1.00 0.00 H new ATOM 0 HD3 ARG A 25 4.726 0.446 -0.060 1.00 0.00 H new ATOM 0 HE ARG A 25 7.269 1.303 1.025 1.00 0.00 H new ATOM 0 HH11 ARG A 25 4.644 -0.976 1.471 1.00 0.00 H new ATOM 0 HH12 ARG A 25 5.657 -2.204 2.237 1.00 0.00 H new ATOM 0 HH21 ARG A 25 8.572 -0.283 2.010 1.00 0.00 H new ATOM 0 HH22 ARG A 25 7.866 -1.814 2.540 1.00 0.00 H new ATOM 209 N ASP A 26 8.371 4.746 -1.022 1.00 0.00 N ATOM 210 CA ASP A 26 9.115 5.664 -0.158 1.00 0.00 C ATOM 211 C ASP A 26 8.890 7.101 -0.604 1.00 0.00 C ATOM 212 O ASP A 26 8.795 8.009 0.222 1.00 0.00 O ATOM 213 CB ASP A 26 10.626 5.327 -0.193 1.00 0.00 C ATOM 214 CG ASP A 26 11.397 6.228 0.782 1.00 0.00 C ATOM 215 OD1 ASP A 26 11.256 6.019 1.975 1.00 0.00 O ATOM 216 OD2 ASP A 26 12.095 7.118 0.324 1.00 0.00 O ATOM 0 H ASP A 26 8.954 4.100 -1.554 1.00 0.00 H new ATOM 0 HA ASP A 26 8.754 5.551 0.864 1.00 0.00 H new ATOM 0 HB2 ASP A 26 10.778 4.280 0.071 1.00 0.00 H new ATOM 0 HB3 ASP A 26 11.012 5.460 -1.204 1.00 0.00 H new ATOM 221 N LYS A 27 8.815 7.298 -1.924 1.00 0.00 N ATOM 222 CA LYS A 27 8.618 8.643 -2.483 1.00 0.00 C ATOM 223 C LYS A 27 7.338 9.254 -1.947 1.00 0.00 C ATOM 224 O LYS A 27 7.334 10.376 -1.453 1.00 0.00 O ATOM 225 CB LYS A 27 8.559 8.579 -4.060 1.00 0.00 C ATOM 226 CG LYS A 27 9.907 9.019 -4.688 1.00 0.00 C ATOM 227 CD LYS A 27 11.006 7.962 -4.397 1.00 0.00 C ATOM 228 CE LYS A 27 12.355 8.433 -4.953 1.00 0.00 C ATOM 229 NZ LYS A 27 13.378 7.403 -4.661 1.00 0.00 N ATOM 0 H LYS A 27 8.886 6.555 -2.619 1.00 0.00 H new ATOM 0 HA LYS A 27 9.461 9.266 -2.185 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.321 7.564 -4.377 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.758 9.223 -4.423 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.791 9.146 -5.764 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.206 9.986 -4.284 1.00 0.00 H new ATOM 0 HD2 LYS A 27 11.085 7.796 -3.323 1.00 0.00 H new ATOM 0 HD3 LYS A 27 10.732 7.008 -4.848 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.283 8.599 -6.028 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.638 9.384 -4.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 14.324 7.786 -4.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 13.321 7.132 -3.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 13.209 6.567 -5.256 1.00 0.00 H new ATOM 243 N ILE A 28 6.254 8.503 -2.040 1.00 0.00 N ATOM 244 CA ILE A 28 4.962 8.994 -1.564 1.00 0.00 C ATOM 245 C ILE A 28 5.041 9.280 -0.069 1.00 0.00 C ATOM 246 O ILE A 28 4.614 10.326 0.391 1.00 0.00 O ATOM 247 CB ILE A 28 3.858 7.952 -1.851 1.00 0.00 C ATOM 248 CG1 ILE A 28 3.847 7.609 -3.380 1.00 0.00 C ATOM 249 CG2 ILE A 28 2.462 8.514 -1.417 1.00 0.00 C ATOM 250 CD1 ILE A 28 2.917 6.424 -3.657 1.00 0.00 C ATOM 0 H ILE A 28 6.236 7.563 -2.434 1.00 0.00 H new ATOM 0 HA ILE A 28 4.714 9.916 -2.090 1.00 0.00 H new ATOM 0 HB ILE A 28 4.062 7.046 -1.280 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.519 8.478 -3.951 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.857 7.372 -3.713 1.00 0.00 H new ATOM 0 HG21 ILE A 28 1.691 7.772 -1.624 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.475 8.736 -0.350 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.247 9.425 -1.975 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.922 6.200 -4.724 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.263 5.552 -3.101 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.904 6.676 -3.343 1.00 0.00 H new ATOM 262 N ALA A 29 5.580 8.317 0.679 1.00 0.00 N ATOM 263 CA ALA A 29 5.698 8.454 2.133 1.00 0.00 C ATOM 264 C ALA A 29 6.489 9.714 2.486 1.00 0.00 C ATOM 265 O ALA A 29 6.260 10.333 3.524 1.00 0.00 O ATOM 266 CB ALA A 29 6.399 7.213 2.722 1.00 0.00 C ATOM 0 H ALA A 29 5.940 7.438 0.306 1.00 0.00 H new ATOM 0 HA ALA A 29 4.698 8.537 2.559 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.483 7.322 3.803 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.815 6.322 2.491 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.394 7.117 2.288 1.00 0.00 H new ATOM 272 N ASP A 30 7.429 10.076 1.607 1.00 0.00 N ATOM 273 CA ASP A 30 8.281 11.254 1.822 1.00 0.00 C ATOM 274 C ASP A 30 7.601 12.517 1.311 1.00 0.00 C ATOM 275 O ASP A 30 7.779 13.592 1.880 1.00 0.00 O ATOM 276 CB ASP A 30 9.626 11.047 1.081 1.00 0.00 C ATOM 277 CG ASP A 30 10.389 9.851 1.669 1.00 0.00 C ATOM 278 OD1 ASP A 30 9.797 9.086 2.419 1.00 0.00 O ATOM 279 OD2 ASP A 30 11.558 9.715 1.350 1.00 0.00 O ATOM 0 H ASP A 30 7.620 9.572 0.741 1.00 0.00 H new ATOM 0 HA ASP A 30 8.457 11.372 2.891 1.00 0.00 H new ATOM 0 HB2 ASP A 30 9.441 10.881 0.020 1.00 0.00 H new ATOM 0 HB3 ASP A 30 10.234 11.948 1.161 1.00 0.00 H new ATOM 284 N ILE A 31 6.827 12.385 0.242 1.00 0.00 N ATOM 285 CA ILE A 31 6.136 13.536 -0.353 1.00 0.00 C ATOM 286 C ILE A 31 4.858 13.843 0.395 1.00 0.00 C ATOM 287 O ILE A 31 4.462 15.008 0.504 1.00 0.00 O ATOM 288 CB ILE A 31 5.817 13.235 -1.843 1.00 0.00 C ATOM 289 CG1 ILE A 31 7.156 13.150 -2.670 1.00 0.00 C ATOM 290 CG2 ILE A 31 4.880 14.352 -2.450 1.00 0.00 C ATOM 291 CD1 ILE A 31 6.911 12.474 -4.030 1.00 0.00 C ATOM 0 H ILE A 31 6.658 11.499 -0.234 1.00 0.00 H new ATOM 0 HA ILE A 31 6.788 14.407 -0.286 1.00 0.00 H new ATOM 0 HB ILE A 31 5.296 12.279 -1.900 1.00 0.00 H new ATOM 0 HG12 ILE A 31 7.559 14.151 -2.823 1.00 0.00 H new ATOM 0 HG13 ILE A 31 7.902 12.588 -2.108 1.00 0.00 H new ATOM 0 HG21 ILE A 31 4.669 14.122 -3.494 1.00 0.00 H new ATOM 0 HG22 ILE A 31 3.945 14.387 -1.890 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.378 15.319 -2.385 1.00 0.00 H new ATOM 0 HD11 ILE A 31 7.847 12.425 -4.586 1.00 0.00 H new ATOM 0 HD12 ILE A 31 6.530 11.465 -3.871 1.00 0.00 H new ATOM 0 HD13 ILE A 31 6.182 13.052 -4.598 1.00 0.00 H new ATOM 303 N GLN A 32 4.186 12.803 0.870 1.00 0.00 N ATOM 304 CA GLN A 32 2.917 12.978 1.559 1.00 0.00 C ATOM 305 C GLN A 32 3.118 13.805 2.814 1.00 0.00 C ATOM 306 O GLN A 32 2.492 14.848 2.984 1.00 0.00 O ATOM 307 CB GLN A 32 2.311 11.604 1.922 1.00 0.00 C ATOM 308 CG GLN A 32 0.874 11.774 2.492 1.00 0.00 C ATOM 309 CD GLN A 32 0.263 10.417 2.815 1.00 0.00 C ATOM 310 OE1 GLN A 32 0.945 9.540 3.345 1.00 0.00 O ATOM 311 NE2 GLN A 32 -0.985 10.198 2.528 1.00 0.00 N ATOM 0 H GLN A 32 4.497 11.835 0.791 1.00 0.00 H new ATOM 0 HA GLN A 32 2.227 13.501 0.896 1.00 0.00 H new ATOM 0 HB2 GLN A 32 2.285 10.967 1.038 1.00 0.00 H new ATOM 0 HB3 GLN A 32 2.943 11.104 2.656 1.00 0.00 H new ATOM 0 HG2 GLN A 32 0.904 12.389 3.391 1.00 0.00 H new ATOM 0 HG3 GLN A 32 0.249 12.298 1.768 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -1.543 10.930 2.089 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -1.406 9.294 2.742 1.00 0.00 H new ATOM 320 N GLU A 33 4.004 13.316 3.689 1.00 0.00 N ATOM 321 CA GLU A 33 4.285 13.996 4.947 1.00 0.00 C ATOM 322 C GLU A 33 4.858 15.374 4.688 1.00 0.00 C ATOM 323 O GLU A 33 4.322 16.359 5.165 1.00 0.00 O ATOM 324 CB GLU A 33 5.279 13.181 5.797 1.00 0.00 C ATOM 325 CG GLU A 33 5.429 13.811 7.218 1.00 0.00 C ATOM 326 CD GLU A 33 6.387 12.988 8.070 1.00 0.00 C ATOM 327 OE1 GLU A 33 6.180 11.793 8.151 1.00 0.00 O ATOM 328 OE2 GLU A 33 7.309 13.564 8.630 1.00 0.00 O ATOM 0 H GLU A 33 4.534 12.456 3.545 1.00 0.00 H new ATOM 0 HA GLU A 33 3.346 14.093 5.492 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.933 12.151 5.884 1.00 0.00 H new ATOM 0 HB3 GLU A 33 6.250 13.150 5.302 1.00 0.00 H new ATOM 0 HG2 GLU A 33 5.797 14.833 7.132 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.455 13.863 7.704 1.00 0.00 H new ATOM 335 N ALA A 34 5.999 15.414 3.976 1.00 0.00 N ATOM 336 CA ALA A 34 6.708 16.674 3.741 1.00 0.00 C ATOM 337 C ALA A 34 5.721 17.762 3.387 1.00 0.00 C ATOM 338 O ALA A 34 5.694 18.760 4.064 1.00 0.00 O ATOM 339 CB ALA A 34 7.686 16.504 2.561 1.00 0.00 C ATOM 0 H ALA A 34 6.442 14.595 3.560 1.00 0.00 H new ATOM 0 HA ALA A 34 7.251 16.944 4.647 1.00 0.00 H new ATOM 0 HB1 ALA A 34 8.213 17.442 2.387 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.407 15.721 2.796 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.130 16.228 1.665 1.00 0.00 H new ATOM 345 N LEU A 35 4.901 17.529 2.372 1.00 0.00 N ATOM 346 CA LEU A 35 3.895 18.510 1.973 1.00 0.00 C ATOM 347 C LEU A 35 2.801 18.661 3.050 1.00 0.00 C ATOM 348 O LEU A 35 2.553 19.758 3.542 1.00 0.00 O ATOM 349 CB LEU A 35 3.258 18.044 0.662 1.00 0.00 C ATOM 350 CG LEU A 35 2.275 19.156 0.080 1.00 0.00 C ATOM 351 CD1 LEU A 35 2.975 19.945 -1.043 1.00 0.00 C ATOM 352 CD2 LEU A 35 0.955 18.506 -0.417 1.00 0.00 C ATOM 0 H LEU A 35 4.910 16.677 1.812 1.00 0.00 H new ATOM 0 HA LEU A 35 4.377 19.479 1.846 1.00 0.00 H new ATOM 0 HB2 LEU A 35 4.037 17.824 -0.068 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.708 17.118 0.829 1.00 0.00 H new ATOM 0 HG LEU A 35 2.018 19.857 0.874 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.295 20.702 -1.434 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.867 20.429 -0.646 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.258 19.263 -1.845 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.295 19.279 -0.811 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.178 17.784 -1.202 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.464 17.999 0.413 1.00 0.00 H new ATOM 364 N ALA A 36 2.102 17.564 3.355 1.00 0.00 N ATOM 365 CA ALA A 36 0.996 17.605 4.334 1.00 0.00 C ATOM 366 C ALA A 36 1.442 18.356 5.603 1.00 0.00 C ATOM 367 O ALA A 36 0.854 19.365 5.996 1.00 0.00 O ATOM 368 CB ALA A 36 0.586 16.164 4.689 1.00 0.00 C ATOM 0 H ALA A 36 2.274 16.645 2.948 1.00 0.00 H new ATOM 0 HA ALA A 36 0.144 18.130 3.902 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.230 16.185 5.411 1.00 0.00 H new ATOM 0 HB2 ALA A 36 0.259 15.646 3.787 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.438 15.639 5.120 1.00 0.00 H new ATOM 374 N HIS A 37 2.521 17.858 6.181 1.00 0.00 N ATOM 375 CA HIS A 37 3.142 18.442 7.378 1.00 0.00 C ATOM 376 C HIS A 37 3.970 19.654 6.999 1.00 0.00 C ATOM 377 O HIS A 37 4.930 19.987 7.707 1.00 0.00 O ATOM 378 CB HIS A 37 4.044 17.401 8.089 1.00 0.00 C ATOM 379 CG HIS A 37 3.219 16.204 8.448 1.00 0.00 C ATOM 380 ND1 HIS A 37 2.367 15.596 7.541 1.00 0.00 N ATOM 381 CD2 HIS A 37 3.093 15.499 9.614 1.00 0.00 C ATOM 382 CE1 HIS A 37 1.769 14.573 8.173 1.00 0.00 C ATOM 383 NE2 HIS A 37 2.178 14.470 9.441 1.00 0.00 N ATOM 0 H HIS A 37 3.003 17.028 5.836 1.00 0.00 H new ATOM 0 HA HIS A 37 2.348 18.745 8.060 1.00 0.00 H new ATOM 0 HB2 HIS A 37 4.867 17.109 7.437 1.00 0.00 H new ATOM 0 HB3 HIS A 37 4.486 17.836 8.985 1.00 0.00 H new ATOM 0 HD2 HIS A 37 3.625 15.711 10.530 1.00 0.00 H new ATOM 0 HE1 HIS A 37 1.047 13.915 7.713 1.00 0.00 H new ATOM 0 HE2 HIS A 37 1.881 13.782 10.133 1.00 0.00 H new ATOM 391 N ALA A 38 3.605 20.339 5.896 1.00 0.00 N ATOM 392 CA ALA A 38 4.347 21.535 5.460 1.00 0.00 C ATOM 393 C ALA A 38 3.510 22.777 5.559 1.00 0.00 C ATOM 394 O ALA A 38 3.938 23.709 6.232 1.00 0.00 O ATOM 395 CB ALA A 38 4.792 21.405 3.983 1.00 0.00 C ATOM 0 H ALA A 38 2.815 20.089 5.301 1.00 0.00 H new ATOM 0 HA ALA A 38 5.210 21.611 6.121 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.337 22.301 3.687 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.438 20.534 3.873 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.914 21.288 3.347 1.00 0.00 H new ATOM 401 N ASP A 39 2.320 22.766 4.878 1.00 0.00 N ATOM 402 CA ASP A 39 1.381 23.941 4.822 1.00 0.00 C ATOM 403 C ASP A 39 2.026 25.180 5.480 1.00 0.00 C ATOM 404 O ASP A 39 1.469 25.784 6.396 1.00 0.00 O ATOM 405 CB ASP A 39 0.041 23.603 5.518 1.00 0.00 C ATOM 406 CG ASP A 39 0.301 23.182 6.971 1.00 0.00 C ATOM 407 OD1 ASP A 39 1.136 22.314 7.167 1.00 0.00 O ATOM 408 OD2 ASP A 39 -0.321 23.744 7.858 1.00 0.00 O ATOM 0 H ASP A 39 1.986 21.954 4.358 1.00 0.00 H new ATOM 0 HA ASP A 39 1.180 24.167 3.775 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.620 24.469 5.494 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.465 22.800 4.982 1.00 0.00 H new ATOM 413 N ALA A 40 3.259 25.488 5.041 1.00 0.00 N ATOM 414 CA ALA A 40 4.042 26.564 5.633 1.00 0.00 C ATOM 415 C ALA A 40 3.313 27.875 5.501 1.00 0.00 C ATOM 416 O ALA A 40 3.111 28.592 6.486 1.00 0.00 O ATOM 417 CB ALA A 40 5.427 26.652 4.950 1.00 0.00 C ATOM 0 H ALA A 40 3.727 25.001 4.277 1.00 0.00 H new ATOM 0 HA ALA A 40 4.185 26.350 6.692 1.00 0.00 H new ATOM 0 HB1 ALA A 40 6.004 27.460 5.400 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.958 25.709 5.082 1.00 0.00 H new ATOM 0 HB3 ALA A 40 5.296 26.849 3.886 1.00 0.00 H new ATOM 423 N ASN A 41 2.909 28.188 4.269 1.00 0.00 N ATOM 424 CA ASN A 41 2.204 29.433 3.989 1.00 0.00 C ATOM 425 C ASN A 41 0.731 29.303 4.340 1.00 0.00 C ATOM 426 O ASN A 41 0.029 30.309 4.419 1.00 0.00 O ATOM 427 CB ASN A 41 2.361 29.781 2.495 1.00 0.00 C ATOM 428 CG ASN A 41 3.844 29.854 2.134 1.00 0.00 C ATOM 429 OD1 ASN A 41 4.601 30.583 2.777 1.00 0.00 O ATOM 430 ND2 ASN A 41 4.308 29.132 1.153 1.00 0.00 N ATOM 0 H ASN A 41 3.059 27.596 3.452 1.00 0.00 H new ATOM 0 HA ASN A 41 2.632 30.229 4.598 1.00 0.00 H new ATOM 0 HB2 ASN A 41 1.865 29.028 1.883 1.00 0.00 H new ATOM 0 HB3 ASN A 41 1.878 30.734 2.281 1.00 0.00 H new ATOM 0 HD21 ASN A 41 5.299 29.170 0.916 1.00 0.00 H new ATOM 0 HD22 ASN A 41 3.680 28.529 0.622 1.00 0.00 H new ATOM 437 N ALA A 42 0.261 28.064 4.532 1.00 0.00 N ATOM 438 CA ALA A 42 -1.150 27.819 4.869 1.00 0.00 C ATOM 439 C ALA A 42 -2.083 28.502 3.857 1.00 0.00 C ATOM 440 O ALA A 42 -2.934 29.313 4.231 1.00 0.00 O ATOM 441 CB ALA A 42 -1.440 28.344 6.296 1.00 0.00 C ATOM 0 H ALA A 42 0.831 27.221 4.461 1.00 0.00 H new ATOM 0 HA ALA A 42 -1.336 26.746 4.830 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -2.485 28.162 6.545 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -0.801 27.826 7.011 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.238 29.414 6.338 1.00 0.00 H new ATOM 447 N ASP A 43 -1.916 28.167 2.571 1.00 0.00 N ATOM 448 CA ASP A 43 -2.741 28.745 1.491 1.00 0.00 C ATOM 449 C ASP A 43 -3.696 27.698 0.964 1.00 0.00 C ATOM 450 O ASP A 43 -4.662 28.027 0.277 1.00 0.00 O ATOM 451 CB ASP A 43 -1.821 29.246 0.357 1.00 0.00 C ATOM 452 CG ASP A 43 -0.911 28.120 -0.161 1.00 0.00 C ATOM 453 OD1 ASP A 43 -0.932 27.034 0.405 1.00 0.00 O ATOM 454 OD2 ASP A 43 -0.205 28.367 -1.122 1.00 0.00 O ATOM 0 H ASP A 43 -1.217 27.498 2.248 1.00 0.00 H new ATOM 0 HA ASP A 43 -3.319 29.584 1.880 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -2.427 29.633 -0.462 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -1.210 30.073 0.720 1.00 0.00 H new ATOM 459 N GLN A 44 -3.428 26.434 1.294 1.00 0.00 N ATOM 460 CA GLN A 44 -4.286 25.329 0.865 1.00 0.00 C ATOM 461 C GLN A 44 -4.263 25.180 -0.650 1.00 0.00 C ATOM 462 O GLN A 44 -5.043 24.408 -1.203 1.00 0.00 O ATOM 463 CB GLN A 44 -5.764 25.558 1.350 1.00 0.00 C ATOM 464 CG GLN A 44 -6.515 24.207 1.540 1.00 0.00 C ATOM 465 CD GLN A 44 -5.993 23.503 2.792 1.00 0.00 C ATOM 466 OE1 GLN A 44 -5.319 22.479 2.702 1.00 0.00 O ATOM 467 NE2 GLN A 44 -6.244 24.030 3.956 1.00 0.00 N ATOM 0 H GLN A 44 -2.625 26.150 1.856 1.00 0.00 H new ATOM 0 HA GLN A 44 -3.900 24.414 1.314 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -5.759 26.109 2.291 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -6.296 26.173 0.624 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -7.587 24.384 1.630 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -6.369 23.572 0.666 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -6.804 24.880 4.021 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -5.880 23.593 4.803 1.00 0.00 H new ATOM 476 N HIS A 45 -3.377 25.922 -1.318 1.00 0.00 N ATOM 477 CA HIS A 45 -3.253 25.878 -2.774 1.00 0.00 C ATOM 478 C HIS A 45 -1.821 25.507 -3.124 1.00 0.00 C ATOM 479 O HIS A 45 -0.878 26.002 -2.505 1.00 0.00 O ATOM 480 CB HIS A 45 -3.608 27.255 -3.379 1.00 0.00 C ATOM 481 CG HIS A 45 -3.619 27.163 -4.888 1.00 0.00 C ATOM 482 ND1 HIS A 45 -2.559 26.616 -5.597 1.00 0.00 N ATOM 483 CD2 HIS A 45 -4.558 27.497 -5.817 1.00 0.00 C ATOM 484 CE1 HIS A 45 -2.889 26.630 -6.894 1.00 0.00 C ATOM 485 NE2 HIS A 45 -4.100 27.159 -7.089 1.00 0.00 N ATOM 0 H HIS A 45 -2.729 26.567 -0.866 1.00 0.00 H new ATOM 0 HA HIS A 45 -3.940 25.137 -3.183 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -4.584 27.581 -3.018 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -2.883 28.002 -3.056 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -5.512 27.954 -5.601 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -2.254 26.259 -7.685 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -4.585 27.288 -7.977 1.00 0.00 H new ATOM 493 N LEU A 46 -1.678 24.615 -4.103 1.00 0.00 N ATOM 494 CA LEU A 46 -0.368 24.128 -4.536 1.00 0.00 C ATOM 495 C LEU A 46 0.181 24.945 -5.689 1.00 0.00 C ATOM 496 O LEU A 46 -0.233 24.764 -6.838 1.00 0.00 O ATOM 497 CB LEU A 46 -0.496 22.647 -4.981 1.00 0.00 C ATOM 498 CG LEU A 46 -1.226 21.803 -3.897 1.00 0.00 C ATOM 499 CD1 LEU A 46 -1.295 20.323 -4.350 1.00 0.00 C ATOM 500 CD2 LEU A 46 -0.512 21.915 -2.511 1.00 0.00 C ATOM 0 H LEU A 46 -2.462 24.211 -4.616 1.00 0.00 H new ATOM 0 HA LEU A 46 0.320 24.220 -3.696 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.045 22.592 -5.921 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.495 22.231 -5.165 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.237 22.194 -3.780 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.807 19.733 -3.589 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.842 20.255 -5.290 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.285 19.938 -4.489 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.047 21.314 -1.776 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.512 21.553 -2.599 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.502 22.957 -2.190 1.00 0.00 H new ATOM 512 N ASP A 47 1.124 25.828 -5.380 1.00 0.00 N ATOM 513 CA ASP A 47 1.794 26.646 -6.380 1.00 0.00 C ATOM 514 C ASP A 47 3.148 26.022 -6.621 1.00 0.00 C ATOM 515 O ASP A 47 3.766 25.518 -5.686 1.00 0.00 O ATOM 516 CB ASP A 47 1.939 28.092 -5.877 1.00 0.00 C ATOM 517 CG ASP A 47 0.546 28.677 -5.627 1.00 0.00 C ATOM 518 OD1 ASP A 47 -0.299 28.506 -6.493 1.00 0.00 O ATOM 519 OD2 ASP A 47 0.342 29.265 -4.582 1.00 0.00 O ATOM 0 H ASP A 47 1.445 25.996 -4.426 1.00 0.00 H new ATOM 0 HA ASP A 47 1.220 26.684 -7.306 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.526 28.114 -4.959 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.473 28.694 -6.612 1.00 0.00 H new ATOM 524 N PHE A 48 3.573 26.040 -7.882 1.00 0.00 N ATOM 525 CA PHE A 48 4.840 25.439 -8.300 1.00 0.00 C ATOM 526 C PHE A 48 5.935 25.662 -7.262 1.00 0.00 C ATOM 527 O PHE A 48 6.617 24.736 -6.893 1.00 0.00 O ATOM 528 CB PHE A 48 5.296 26.063 -9.654 1.00 0.00 C ATOM 529 CG PHE A 48 6.144 25.044 -10.424 1.00 0.00 C ATOM 530 CD1 PHE A 48 5.502 23.961 -11.056 1.00 0.00 C ATOM 531 CD2 PHE A 48 7.547 25.160 -10.497 1.00 0.00 C ATOM 532 CE1 PHE A 48 6.250 23.011 -11.759 1.00 0.00 C ATOM 533 CE2 PHE A 48 8.293 24.201 -11.202 1.00 0.00 C ATOM 534 CZ PHE A 48 7.642 23.131 -11.834 1.00 0.00 C ATOM 0 H PHE A 48 3.050 26.471 -8.644 1.00 0.00 H new ATOM 0 HA PHE A 48 4.678 24.367 -8.410 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.427 26.350 -10.246 1.00 0.00 H new ATOM 0 HB3 PHE A 48 5.873 26.970 -9.473 1.00 0.00 H new ATOM 0 HD1 PHE A 48 4.428 23.864 -10.997 1.00 0.00 H new ATOM 0 HD2 PHE A 48 8.048 25.985 -10.012 1.00 0.00 H new ATOM 0 HE1 PHE A 48 5.753 22.184 -12.244 1.00 0.00 H new ATOM 0 HE2 PHE A 48 9.368 24.287 -11.258 1.00 0.00 H new ATOM 0 HZ PHE A 48 8.217 22.398 -12.380 1.00 0.00 H new ATOM 544 N ASP A 49 6.066 26.909 -6.785 1.00 0.00 N ATOM 545 CA ASP A 49 7.087 27.253 -5.794 1.00 0.00 C ATOM 546 C ASP A 49 7.077 26.275 -4.625 1.00 0.00 C ATOM 547 O ASP A 49 8.104 25.682 -4.290 1.00 0.00 O ATOM 548 CB ASP A 49 6.813 28.682 -5.268 1.00 0.00 C ATOM 549 CG ASP A 49 6.800 29.683 -6.429 1.00 0.00 C ATOM 550 OD1 ASP A 49 7.579 29.502 -7.351 1.00 0.00 O ATOM 551 OD2 ASP A 49 6.016 30.616 -6.375 1.00 0.00 O ATOM 0 H ASP A 49 5.478 27.692 -7.071 1.00 0.00 H new ATOM 0 HA ASP A 49 8.065 27.201 -6.271 1.00 0.00 H new ATOM 0 HB2 ASP A 49 5.856 28.708 -4.746 1.00 0.00 H new ATOM 0 HB3 ASP A 49 7.578 28.964 -4.545 1.00 0.00 H new ATOM 556 N GLU A 50 5.905 26.112 -4.020 1.00 0.00 N ATOM 557 CA GLU A 50 5.764 25.205 -2.888 1.00 0.00 C ATOM 558 C GLU A 50 6.140 23.779 -3.291 1.00 0.00 C ATOM 559 O GLU A 50 6.949 23.145 -2.645 1.00 0.00 O ATOM 560 CB GLU A 50 4.307 25.221 -2.368 1.00 0.00 C ATOM 561 CG GLU A 50 4.180 24.406 -1.045 1.00 0.00 C ATOM 562 CD GLU A 50 2.755 24.458 -0.494 1.00 0.00 C ATOM 563 OE1 GLU A 50 1.843 24.727 -1.261 1.00 0.00 O ATOM 564 OE2 GLU A 50 2.597 24.203 0.687 1.00 0.00 O ATOM 0 H GLU A 50 5.047 26.591 -4.292 1.00 0.00 H new ATOM 0 HA GLU A 50 6.436 25.541 -2.098 1.00 0.00 H new ATOM 0 HB2 GLU A 50 3.988 26.249 -2.198 1.00 0.00 H new ATOM 0 HB3 GLU A 50 3.642 24.802 -3.123 1.00 0.00 H new ATOM 0 HG2 GLU A 50 4.465 23.369 -1.225 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.873 24.802 -0.303 1.00 0.00 H new ATOM 571 N TRP A 51 5.536 23.294 -4.368 1.00 0.00 N ATOM 572 CA TRP A 51 5.794 21.933 -4.835 1.00 0.00 C ATOM 573 C TRP A 51 7.208 21.799 -5.383 1.00 0.00 C ATOM 574 O TRP A 51 7.736 20.691 -5.494 1.00 0.00 O ATOM 575 CB TRP A 51 4.773 21.565 -5.938 1.00 0.00 C ATOM 576 CG TRP A 51 4.857 20.092 -6.234 1.00 0.00 C ATOM 577 CD1 TRP A 51 5.682 19.534 -7.131 1.00 0.00 C ATOM 578 CD2 TRP A 51 4.129 19.008 -5.608 1.00 0.00 C ATOM 579 NE1 TRP A 51 5.498 18.161 -7.115 1.00 0.00 N ATOM 580 CE2 TRP A 51 4.546 17.788 -6.191 1.00 0.00 C ATOM 581 CE3 TRP A 51 3.152 18.965 -4.609 1.00 0.00 C ATOM 582 CZ2 TRP A 51 4.014 16.564 -5.793 1.00 0.00 C ATOM 583 CZ3 TRP A 51 2.610 17.733 -4.203 1.00 0.00 C ATOM 584 CH2 TRP A 51 3.041 16.533 -4.793 1.00 0.00 C ATOM 0 H TRP A 51 4.867 23.817 -4.934 1.00 0.00 H new ATOM 0 HA TRP A 51 5.690 21.253 -3.989 1.00 0.00 H new ATOM 0 HB2 TRP A 51 3.765 21.824 -5.615 1.00 0.00 H new ATOM 0 HB3 TRP A 51 4.976 22.140 -6.842 1.00 0.00 H new ATOM 0 HD1 TRP A 51 6.377 20.068 -7.763 1.00 0.00 H new ATOM 0 HE1 TRP A 51 6.004 17.508 -7.713 1.00 0.00 H new ATOM 0 HE3 TRP A 51 2.813 19.881 -4.148 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 4.351 15.647 -6.254 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 1.856 17.709 -3.431 1.00 0.00 H new ATOM 0 HH2 TRP A 51 2.621 15.590 -4.474 1.00 0.00 H new ATOM 595 N ARG A 52 7.803 22.927 -5.741 1.00 0.00 N ATOM 596 CA ARG A 52 9.146 22.926 -6.313 1.00 0.00 C ATOM 597 C ARG A 52 10.230 22.833 -5.256 1.00 0.00 C ATOM 598 O ARG A 52 11.012 21.902 -5.241 1.00 0.00 O ATOM 599 CB ARG A 52 9.360 24.227 -7.134 1.00 0.00 C ATOM 600 CG ARG A 52 10.798 24.305 -7.712 1.00 0.00 C ATOM 601 CD ARG A 52 10.995 25.597 -8.518 1.00 0.00 C ATOM 602 NE ARG A 52 12.385 25.671 -8.968 1.00 0.00 N ATOM 603 CZ ARG A 52 13.385 25.984 -8.131 1.00 0.00 C ATOM 604 NH1 ARG A 52 13.137 26.227 -6.865 1.00 0.00 N ATOM 605 NH2 ARG A 52 14.603 26.037 -8.573 1.00 0.00 N ATOM 0 H ARG A 52 7.382 23.851 -5.647 1.00 0.00 H new ATOM 0 HA ARG A 52 9.223 22.044 -6.949 1.00 0.00 H new ATOM 0 HB2 ARG A 52 8.637 24.268 -7.948 1.00 0.00 H new ATOM 0 HB3 ARG A 52 9.174 25.094 -6.499 1.00 0.00 H new ATOM 0 HG2 ARG A 52 11.524 24.264 -6.900 1.00 0.00 H new ATOM 0 HG3 ARG A 52 10.985 23.441 -8.350 1.00 0.00 H new ATOM 0 HD2 ARG A 52 10.321 25.613 -9.374 1.00 0.00 H new ATOM 0 HD3 ARG A 52 10.751 26.464 -7.904 1.00 0.00 H new ATOM 0 HE ARG A 52 12.600 25.479 -9.946 1.00 0.00 H new ATOM 0 HH11 ARG A 52 12.180 26.178 -6.514 1.00 0.00 H new ATOM 0 HH12 ARG A 52 13.901 26.465 -6.232 1.00 0.00 H new ATOM 0 HH21 ARG A 52 14.798 25.841 -9.555 1.00 0.00 H new ATOM 0 HH22 ARG A 52 15.366 26.275 -7.939 1.00 0.00 H new ATOM 619 N GLN A 53 10.278 23.850 -4.398 1.00 0.00 N ATOM 620 CA GLN A 53 11.343 23.944 -3.397 1.00 0.00 C ATOM 621 C GLN A 53 11.201 22.900 -2.322 1.00 0.00 C ATOM 622 O GLN A 53 12.201 22.369 -1.824 1.00 0.00 O ATOM 623 CB GLN A 53 11.341 25.352 -2.744 1.00 0.00 C ATOM 624 CG GLN A 53 12.598 25.536 -1.839 1.00 0.00 C ATOM 625 CD GLN A 53 12.614 26.924 -1.212 1.00 0.00 C ATOM 626 OE1 GLN A 53 11.577 27.414 -0.772 1.00 0.00 O ATOM 627 NE2 GLN A 53 13.738 27.575 -1.138 1.00 0.00 N ATOM 0 H GLN A 53 9.602 24.613 -4.373 1.00 0.00 H new ATOM 0 HA GLN A 53 12.287 23.773 -3.915 1.00 0.00 H new ATOM 0 HB2 GLN A 53 11.328 26.119 -3.519 1.00 0.00 H new ATOM 0 HB3 GLN A 53 10.436 25.483 -2.151 1.00 0.00 H new ATOM 0 HG2 GLN A 53 12.602 24.778 -1.056 1.00 0.00 H new ATOM 0 HG3 GLN A 53 13.502 25.388 -2.430 1.00 0.00 H new ATOM 0 HE21 GLN A 53 14.593 27.159 -1.506 1.00 0.00 H new ATOM 0 HE22 GLN A 53 13.764 28.501 -0.712 1.00 0.00 H new ATOM 636 N GLU A 54 9.963 22.637 -1.944 1.00 0.00 N ATOM 637 CA GLU A 54 9.694 21.709 -0.854 1.00 0.00 C ATOM 638 C GLU A 54 10.242 20.312 -1.130 1.00 0.00 C ATOM 639 O GLU A 54 10.996 19.764 -0.330 1.00 0.00 O ATOM 640 CB GLU A 54 8.168 21.617 -0.599 1.00 0.00 C ATOM 641 CG GLU A 54 7.861 20.805 0.699 1.00 0.00 C ATOM 642 CD GLU A 54 8.360 21.568 1.939 1.00 0.00 C ATOM 643 OE1 GLU A 54 8.343 22.792 1.909 1.00 0.00 O ATOM 644 OE2 GLU A 54 8.790 20.923 2.880 1.00 0.00 O ATOM 0 H GLU A 54 9.132 23.048 -2.370 1.00 0.00 H new ATOM 0 HA GLU A 54 10.202 22.099 0.028 1.00 0.00 H new ATOM 0 HB2 GLU A 54 7.750 22.620 -0.511 1.00 0.00 H new ATOM 0 HB3 GLU A 54 7.682 21.143 -1.452 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.788 20.628 0.780 1.00 0.00 H new ATOM 0 HG3 GLU A 54 8.342 19.828 0.647 1.00 0.00 H new ATOM 651 N LEU A 55 9.825 19.738 -2.249 1.00 0.00 N ATOM 652 CA LEU A 55 10.218 18.382 -2.612 1.00 0.00 C ATOM 653 C LEU A 55 11.663 18.327 -3.004 1.00 0.00 C ATOM 654 O LEU A 55 12.317 17.315 -2.821 1.00 0.00 O ATOM 655 CB LEU A 55 9.337 17.870 -3.781 1.00 0.00 C ATOM 656 CG LEU A 55 7.974 17.328 -3.269 1.00 0.00 C ATOM 657 CD1 LEU A 55 7.171 18.443 -2.533 1.00 0.00 C ATOM 658 CD2 LEU A 55 7.169 16.766 -4.459 1.00 0.00 C ATOM 0 H LEU A 55 9.211 20.192 -2.925 1.00 0.00 H new ATOM 0 HA LEU A 55 10.074 17.742 -1.741 1.00 0.00 H new ATOM 0 HB2 LEU A 55 9.165 18.679 -4.490 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.865 17.082 -4.318 1.00 0.00 H new ATOM 0 HG LEU A 55 8.156 16.529 -2.551 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.221 18.038 -2.185 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.746 18.803 -1.680 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.983 19.269 -3.219 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.212 16.385 -4.103 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.996 17.558 -5.188 1.00 0.00 H new ATOM 0 HD23 LEU A 55 7.730 15.958 -4.928 1.00 0.00 H new ATOM 670 N LYS A 56 12.155 19.389 -3.609 1.00 0.00 N ATOM 671 CA LYS A 56 13.527 19.389 -4.085 1.00 0.00 C ATOM 672 C LYS A 56 14.523 19.022 -2.982 1.00 0.00 C ATOM 673 O LYS A 56 15.405 18.188 -3.198 1.00 0.00 O ATOM 674 CB LYS A 56 13.881 20.781 -4.630 1.00 0.00 C ATOM 675 CG LYS A 56 15.291 20.774 -5.270 1.00 0.00 C ATOM 676 CD LYS A 56 15.642 22.171 -5.826 1.00 0.00 C ATOM 677 CE LYS A 56 17.041 22.128 -6.481 1.00 0.00 C ATOM 678 NZ LYS A 56 18.036 21.705 -5.453 1.00 0.00 N ATOM 0 H LYS A 56 11.637 20.251 -3.782 1.00 0.00 H new ATOM 0 HA LYS A 56 13.599 18.635 -4.869 1.00 0.00 H new ATOM 0 HB2 LYS A 56 13.141 21.086 -5.370 1.00 0.00 H new ATOM 0 HB3 LYS A 56 13.846 21.513 -3.823 1.00 0.00 H new ATOM 0 HG2 LYS A 56 16.032 20.475 -4.528 1.00 0.00 H new ATOM 0 HG3 LYS A 56 15.328 20.037 -6.072 1.00 0.00 H new ATOM 0 HD2 LYS A 56 14.896 22.481 -6.557 1.00 0.00 H new ATOM 0 HD3 LYS A 56 15.627 22.908 -5.023 1.00 0.00 H new ATOM 0 HE2 LYS A 56 17.045 21.432 -7.320 1.00 0.00 H new ATOM 0 HE3 LYS A 56 17.302 23.108 -6.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 18.988 22.003 -5.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 17.802 22.146 -4.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 18.013 20.670 -5.353 1.00 0.00 H new ATOM 692 N CYS A 57 14.384 19.662 -1.821 1.00 0.00 N ATOM 693 CA CYS A 57 15.310 19.432 -0.707 1.00 0.00 C ATOM 694 C CYS A 57 15.303 17.968 -0.273 1.00 0.00 C ATOM 695 O CYS A 57 16.131 17.559 0.537 1.00 0.00 O ATOM 696 CB CYS A 57 14.907 20.331 0.475 1.00 0.00 C ATOM 697 SG CYS A 57 14.948 22.061 -0.049 1.00 0.00 S ATOM 0 H CYS A 57 13.646 20.339 -1.626 1.00 0.00 H new ATOM 0 HA CYS A 57 16.320 19.677 -1.036 1.00 0.00 H new ATOM 0 HB2 CYS A 57 13.908 20.068 0.823 1.00 0.00 H new ATOM 0 HB3 CYS A 57 15.587 20.177 1.313 1.00 0.00 H new ATOM 0 HG CYS A 57 13.900 22.320 -0.774 1.00 0.00 H new ATOM 703 N ARG A 58 14.351 17.195 -0.795 1.00 0.00 N ATOM 704 CA ARG A 58 14.199 15.778 -0.438 1.00 0.00 C ATOM 705 C ARG A 58 15.075 14.905 -1.311 1.00 0.00 C ATOM 706 O ARG A 58 14.838 13.702 -1.428 1.00 0.00 O ATOM 707 CB ARG A 58 12.711 15.363 -0.575 1.00 0.00 C ATOM 708 CG ARG A 58 11.797 16.341 0.221 1.00 0.00 C ATOM 709 CD ARG A 58 12.066 16.232 1.737 1.00 0.00 C ATOM 710 NE ARG A 58 11.003 16.897 2.486 1.00 0.00 N ATOM 711 CZ ARG A 58 10.929 16.802 3.815 1.00 0.00 C ATOM 712 NH1 ARG A 58 11.827 16.097 4.468 1.00 0.00 N ATOM 713 NH2 ARG A 58 9.975 17.397 4.454 1.00 0.00 N ATOM 0 H ARG A 58 13.666 17.527 -1.473 1.00 0.00 H new ATOM 0 HA ARG A 58 14.515 15.641 0.596 1.00 0.00 H new ATOM 0 HB2 ARG A 58 12.423 15.361 -1.626 1.00 0.00 H new ATOM 0 HB3 ARG A 58 12.575 14.347 -0.205 1.00 0.00 H new ATOM 0 HG2 ARG A 58 11.974 17.364 -0.112 1.00 0.00 H new ATOM 0 HG3 ARG A 58 10.750 16.116 0.016 1.00 0.00 H new ATOM 0 HD2 ARG A 58 12.126 15.183 2.029 1.00 0.00 H new ATOM 0 HD3 ARG A 58 13.028 16.685 1.977 1.00 0.00 H new ATOM 0 HE ARG A 58 10.304 17.444 1.984 1.00 0.00 H new ATOM 0 HH11 ARG A 58 12.575 15.626 3.959 1.00 0.00 H new ATOM 0 HH12 ARG A 58 11.775 16.021 5.484 1.00 0.00 H new ATOM 0 HH21 ARG A 58 9.279 17.939 3.942 1.00 0.00 H new ATOM 0 HH22 ARG A 58 9.919 17.324 5.470 1.00 0.00 H new ATOM 727 N GLY A 59 16.095 15.510 -1.911 1.00 0.00 N ATOM 728 CA GLY A 59 17.031 14.775 -2.761 1.00 0.00 C ATOM 729 C GLY A 59 16.485 14.620 -4.168 1.00 0.00 C ATOM 730 O GLY A 59 17.022 13.839 -4.949 1.00 0.00 O ATOM 0 H GLY A 59 16.296 16.506 -1.826 1.00 0.00 H new ATOM 0 HA2 GLY A 59 17.986 15.299 -2.794 1.00 0.00 H new ATOM 0 HA3 GLY A 59 17.222 13.792 -2.331 1.00 0.00 H new ATOM 734 N HIS A 60 15.420 15.369 -4.494 1.00 0.00 N ATOM 735 CA HIS A 60 14.800 15.320 -5.833 1.00 0.00 C ATOM 736 C HIS A 60 15.236 16.543 -6.623 1.00 0.00 C ATOM 737 O HIS A 60 15.551 17.579 -6.045 1.00 0.00 O ATOM 738 CB HIS A 60 13.250 15.296 -5.697 1.00 0.00 C ATOM 739 CG HIS A 60 12.787 13.908 -5.350 1.00 0.00 C ATOM 740 ND1 HIS A 60 12.353 13.024 -6.319 1.00 0.00 N ATOM 741 CD2 HIS A 60 12.721 13.235 -4.165 1.00 0.00 C ATOM 742 CE1 HIS A 60 12.043 11.875 -5.705 1.00 0.00 C ATOM 743 NE2 HIS A 60 12.248 11.947 -4.388 1.00 0.00 N ATOM 0 H HIS A 60 14.968 16.017 -3.850 1.00 0.00 H new ATOM 0 HA HIS A 60 15.118 14.417 -6.354 1.00 0.00 H new ATOM 0 HB2 HIS A 60 12.933 15.998 -4.925 1.00 0.00 H new ATOM 0 HB3 HIS A 60 12.789 15.619 -6.630 1.00 0.00 H new ATOM 0 HD1 HIS A 60 12.282 13.212 -7.319 1.00 0.00 H new ATOM 0 HD2 HIS A 60 12.994 13.641 -3.202 1.00 0.00 H new ATOM 0 HE1 HIS A 60 11.672 10.997 -6.213 1.00 0.00 H new ATOM 751 N ALA A 61 15.262 16.407 -7.954 1.00 0.00 N ATOM 752 CA ALA A 61 15.663 17.495 -8.848 1.00 0.00 C ATOM 753 C ALA A 61 14.444 18.344 -9.188 1.00 0.00 C ATOM 754 O ALA A 61 13.322 17.855 -9.190 1.00 0.00 O ATOM 755 CB ALA A 61 16.270 16.901 -10.136 1.00 0.00 C ATOM 0 H ALA A 61 15.007 15.546 -8.437 1.00 0.00 H new ATOM 0 HA ALA A 61 16.409 18.121 -8.358 1.00 0.00 H new ATOM 0 HB1 ALA A 61 16.569 17.709 -10.803 1.00 0.00 H new ATOM 0 HB2 ALA A 61 17.142 16.298 -9.883 1.00 0.00 H new ATOM 0 HB3 ALA A 61 15.528 16.276 -10.633 1.00 0.00 H new ATOM 761 N ASP A 62 14.682 19.616 -9.483 1.00 0.00 N ATOM 762 CA ASP A 62 13.609 20.556 -9.822 1.00 0.00 C ATOM 763 C ASP A 62 12.924 20.175 -11.131 1.00 0.00 C ATOM 764 O ASP A 62 11.727 20.408 -11.299 1.00 0.00 O ATOM 765 CB ASP A 62 14.197 21.981 -9.958 1.00 0.00 C ATOM 766 CG ASP A 62 15.319 21.994 -11.012 1.00 0.00 C ATOM 767 OD1 ASP A 62 16.224 21.188 -10.887 1.00 0.00 O ATOM 768 OD2 ASP A 62 15.246 22.802 -11.927 1.00 0.00 O ATOM 0 H ASP A 62 15.615 20.027 -9.495 1.00 0.00 H new ATOM 0 HA ASP A 62 12.868 20.522 -9.023 1.00 0.00 H new ATOM 0 HB2 ASP A 62 13.412 22.681 -10.244 1.00 0.00 H new ATOM 0 HB3 ASP A 62 14.587 22.315 -8.997 1.00 0.00 H new ATOM 773 N ALA A 63 13.691 19.591 -12.055 1.00 0.00 N ATOM 774 CA ALA A 63 13.165 19.197 -13.365 1.00 0.00 C ATOM 775 C ALA A 63 12.367 17.904 -13.278 1.00 0.00 C ATOM 776 O ALA A 63 11.287 17.798 -13.840 1.00 0.00 O ATOM 777 CB ALA A 63 14.330 19.012 -14.358 1.00 0.00 C ATOM 0 H ALA A 63 14.680 19.380 -11.920 1.00 0.00 H new ATOM 0 HA ALA A 63 12.499 19.988 -13.711 1.00 0.00 H new ATOM 0 HB1 ALA A 63 13.936 18.719 -15.331 1.00 0.00 H new ATOM 0 HB2 ALA A 63 14.877 19.950 -14.456 1.00 0.00 H new ATOM 0 HB3 ALA A 63 15.002 18.236 -13.990 1.00 0.00 H new ATOM 783 N ASP A 64 12.925 16.907 -12.589 1.00 0.00 N ATOM 784 CA ASP A 64 12.274 15.597 -12.476 1.00 0.00 C ATOM 785 C ASP A 64 10.883 15.719 -11.869 1.00 0.00 C ATOM 786 O ASP A 64 9.948 15.039 -12.298 1.00 0.00 O ATOM 787 CB ASP A 64 13.139 14.653 -11.612 1.00 0.00 C ATOM 788 CG ASP A 64 12.535 13.240 -11.590 1.00 0.00 C ATOM 789 OD1 ASP A 64 12.681 12.545 -12.581 1.00 0.00 O ATOM 790 OD2 ASP A 64 11.917 12.887 -10.596 1.00 0.00 O ATOM 0 H ASP A 64 13.819 16.978 -12.104 1.00 0.00 H new ATOM 0 HA ASP A 64 12.171 15.185 -13.480 1.00 0.00 H new ATOM 0 HB2 ASP A 64 14.154 14.615 -12.008 1.00 0.00 H new ATOM 0 HB3 ASP A 64 13.208 15.041 -10.596 1.00 0.00 H new ATOM 795 N ILE A 65 10.756 16.583 -10.866 1.00 0.00 N ATOM 796 CA ILE A 65 9.476 16.777 -10.189 1.00 0.00 C ATOM 797 C ILE A 65 8.432 17.308 -11.156 1.00 0.00 C ATOM 798 O ILE A 65 7.232 17.177 -10.908 1.00 0.00 O ATOM 799 CB ILE A 65 9.670 17.776 -9.013 1.00 0.00 C ATOM 800 CG1 ILE A 65 10.600 17.145 -7.921 1.00 0.00 C ATOM 801 CG2 ILE A 65 8.289 18.146 -8.372 1.00 0.00 C ATOM 802 CD1 ILE A 65 11.122 18.232 -6.962 1.00 0.00 C ATOM 0 H ILE A 65 11.518 17.157 -10.505 1.00 0.00 H new ATOM 0 HA ILE A 65 9.126 15.819 -9.805 1.00 0.00 H new ATOM 0 HB ILE A 65 10.132 18.682 -9.405 1.00 0.00 H new ATOM 0 HG12 ILE A 65 10.050 16.390 -7.359 1.00 0.00 H new ATOM 0 HG13 ILE A 65 11.439 16.639 -8.398 1.00 0.00 H new ATOM 0 HG21 ILE A 65 8.445 18.846 -7.551 1.00 0.00 H new ATOM 0 HG22 ILE A 65 7.650 18.607 -9.125 1.00 0.00 H new ATOM 0 HG23 ILE A 65 7.810 17.243 -7.993 1.00 0.00 H new ATOM 0 HD11 ILE A 65 11.766 17.775 -6.210 1.00 0.00 H new ATOM 0 HD12 ILE A 65 11.690 18.972 -7.526 1.00 0.00 H new ATOM 0 HD13 ILE A 65 10.280 18.719 -6.471 1.00 0.00 H new ATOM 814 N GLU A 66 8.882 17.936 -12.230 1.00 0.00 N ATOM 815 CA GLU A 66 7.961 18.530 -13.193 1.00 0.00 C ATOM 816 C GLU A 66 7.095 17.459 -13.850 1.00 0.00 C ATOM 817 O GLU A 66 5.914 17.678 -14.093 1.00 0.00 O ATOM 818 CB GLU A 66 8.754 19.286 -14.277 1.00 0.00 C ATOM 819 CG GLU A 66 7.808 20.161 -15.146 1.00 0.00 C ATOM 820 CD GLU A 66 8.590 20.925 -16.216 1.00 0.00 C ATOM 821 OE1 GLU A 66 9.704 20.527 -16.522 1.00 0.00 O ATOM 822 OE2 GLU A 66 8.049 21.891 -16.726 1.00 0.00 O ATOM 0 H GLU A 66 9.870 18.049 -12.458 1.00 0.00 H new ATOM 0 HA GLU A 66 7.311 19.225 -12.661 1.00 0.00 H new ATOM 0 HB2 GLU A 66 9.510 19.916 -13.808 1.00 0.00 H new ATOM 0 HB3 GLU A 66 9.282 18.573 -14.911 1.00 0.00 H new ATOM 0 HG2 GLU A 66 7.058 19.529 -15.622 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.273 20.866 -14.509 1.00 0.00 H new ATOM 829 N ALA A 67 7.706 16.309 -14.134 1.00 0.00 N ATOM 830 CA ALA A 67 6.997 15.207 -14.789 1.00 0.00 C ATOM 831 C ALA A 67 5.887 14.666 -13.899 1.00 0.00 C ATOM 832 O ALA A 67 4.761 14.455 -14.348 1.00 0.00 O ATOM 833 CB ALA A 67 7.991 14.075 -15.127 1.00 0.00 C ATOM 0 H ALA A 67 8.685 16.115 -13.923 1.00 0.00 H new ATOM 0 HA ALA A 67 6.547 15.587 -15.706 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.459 13.257 -15.614 1.00 0.00 H new ATOM 0 HB2 ALA A 67 8.762 14.456 -15.796 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.454 13.711 -14.210 1.00 0.00 H new ATOM 839 N VAL A 68 6.225 14.438 -12.627 1.00 0.00 N ATOM 840 CA VAL A 68 5.272 13.900 -11.662 1.00 0.00 C ATOM 841 C VAL A 68 4.193 14.921 -11.353 1.00 0.00 C ATOM 842 O VAL A 68 3.035 14.559 -11.137 1.00 0.00 O ATOM 843 CB VAL A 68 6.000 13.486 -10.350 1.00 0.00 C ATOM 844 CG1 VAL A 68 5.005 12.786 -9.371 1.00 0.00 C ATOM 845 CG2 VAL A 68 7.173 12.527 -10.689 1.00 0.00 C ATOM 0 H VAL A 68 7.153 14.619 -12.245 1.00 0.00 H new ATOM 0 HA VAL A 68 4.806 13.018 -12.100 1.00 0.00 H new ATOM 0 HB VAL A 68 6.391 14.380 -9.864 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.530 12.503 -8.459 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.194 13.471 -9.125 1.00 0.00 H new ATOM 0 HG13 VAL A 68 4.595 11.894 -9.845 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.683 12.237 -9.770 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.784 11.637 -11.185 1.00 0.00 H new ATOM 0 HG23 VAL A 68 7.877 13.032 -11.350 1.00 0.00 H new ATOM 855 N PHE A 69 4.587 16.197 -11.292 1.00 0.00 N ATOM 856 CA PHE A 69 3.658 17.261 -10.956 1.00 0.00 C ATOM 857 C PHE A 69 2.790 17.622 -12.163 1.00 0.00 C ATOM 858 O PHE A 69 1.566 17.544 -12.098 1.00 0.00 O ATOM 859 CB PHE A 69 4.439 18.497 -10.489 1.00 0.00 C ATOM 860 CG PHE A 69 3.443 19.628 -10.155 1.00 0.00 C ATOM 861 CD1 PHE A 69 2.759 19.619 -8.921 1.00 0.00 C ATOM 862 CD2 PHE A 69 3.181 20.654 -11.088 1.00 0.00 C ATOM 863 CE1 PHE A 69 1.837 20.629 -8.622 1.00 0.00 C ATOM 864 CE2 PHE A 69 2.256 21.662 -10.784 1.00 0.00 C ATOM 865 CZ PHE A 69 1.587 21.651 -9.551 1.00 0.00 C ATOM 0 H PHE A 69 5.541 16.509 -11.472 1.00 0.00 H new ATOM 0 HA PHE A 69 3.006 16.915 -10.153 1.00 0.00 H new ATOM 0 HB2 PHE A 69 5.039 18.253 -9.612 1.00 0.00 H new ATOM 0 HB3 PHE A 69 5.129 18.822 -11.267 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.947 18.832 -8.206 1.00 0.00 H new ATOM 0 HD2 PHE A 69 3.694 20.662 -12.038 1.00 0.00 H new ATOM 0 HE1 PHE A 69 1.317 20.622 -7.675 1.00 0.00 H new ATOM 0 HE2 PHE A 69 2.058 22.447 -11.499 1.00 0.00 H new ATOM 0 HZ PHE A 69 0.878 22.431 -9.316 1.00 0.00 H new ATOM 875 N ALA A 70 3.438 18.094 -13.248 1.00 0.00 N ATOM 876 CA ALA A 70 2.724 18.552 -14.463 1.00 0.00 C ATOM 877 C ALA A 70 1.542 17.647 -14.791 1.00 0.00 C ATOM 878 O ALA A 70 0.550 18.093 -15.350 1.00 0.00 O ATOM 879 CB ALA A 70 3.697 18.567 -15.654 1.00 0.00 C ATOM 0 H ALA A 70 4.453 18.169 -13.310 1.00 0.00 H new ATOM 0 HA ALA A 70 2.343 19.555 -14.272 1.00 0.00 H new ATOM 0 HB1 ALA A 70 3.172 18.904 -16.548 1.00 0.00 H new ATOM 0 HB2 ALA A 70 4.523 19.246 -15.441 1.00 0.00 H new ATOM 0 HB3 ALA A 70 4.086 17.562 -15.819 1.00 0.00 H new ATOM 885 N LYS A 71 1.663 16.392 -14.399 1.00 0.00 N ATOM 886 CA LYS A 71 0.616 15.395 -14.597 1.00 0.00 C ATOM 887 C LYS A 71 -0.725 15.863 -13.999 1.00 0.00 C ATOM 888 O LYS A 71 -1.762 15.259 -14.251 1.00 0.00 O ATOM 889 CB LYS A 71 1.019 14.054 -13.910 1.00 0.00 C ATOM 890 CG LYS A 71 0.143 12.900 -14.466 1.00 0.00 C ATOM 891 CD LYS A 71 0.431 11.581 -13.723 1.00 0.00 C ATOM 892 CE LYS A 71 -0.389 10.437 -14.364 1.00 0.00 C ATOM 893 NZ LYS A 71 -1.839 10.780 -14.290 1.00 0.00 N ATOM 0 H LYS A 71 2.494 16.029 -13.931 1.00 0.00 H new ATOM 0 HA LYS A 71 0.498 15.253 -15.671 1.00 0.00 H new ATOM 0 HB2 LYS A 71 2.073 13.843 -14.091 1.00 0.00 H new ATOM 0 HB3 LYS A 71 0.891 14.134 -12.831 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -0.911 13.157 -14.363 1.00 0.00 H new ATOM 0 HG3 LYS A 71 0.337 12.772 -15.531 1.00 0.00 H new ATOM 0 HD2 LYS A 71 1.495 11.350 -13.770 1.00 0.00 H new ATOM 0 HD3 LYS A 71 0.173 11.681 -12.669 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -0.088 10.294 -15.402 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -0.197 9.499 -13.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -2.407 9.917 -14.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -2.048 11.205 -13.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -2.074 11.457 -15.043 1.00 0.00 H new ATOM 907 N TYR A 72 -0.692 16.946 -13.227 1.00 0.00 N ATOM 908 CA TYR A 72 -1.896 17.499 -12.583 1.00 0.00 C ATOM 909 C TYR A 72 -2.279 18.842 -13.163 1.00 0.00 C ATOM 910 O TYR A 72 -3.322 19.382 -12.809 1.00 0.00 O ATOM 911 CB TYR A 72 -1.629 17.628 -11.070 1.00 0.00 C ATOM 912 CG TYR A 72 -1.392 16.225 -10.485 1.00 0.00 C ATOM 913 CD1 TYR A 72 -2.467 15.316 -10.412 1.00 0.00 C ATOM 914 CD2 TYR A 72 -0.121 15.823 -10.025 1.00 0.00 C ATOM 915 CE1 TYR A 72 -2.266 14.035 -9.886 1.00 0.00 C ATOM 916 CE2 TYR A 72 0.069 14.538 -9.503 1.00 0.00 C ATOM 917 CZ TYR A 72 -1.001 13.649 -9.436 1.00 0.00 C ATOM 918 OH TYR A 72 -0.818 12.394 -8.907 1.00 0.00 O ATOM 0 H TYR A 72 0.161 17.468 -13.027 1.00 0.00 H new ATOM 0 HA TYR A 72 -2.732 16.823 -12.765 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -0.760 18.262 -10.893 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -2.477 18.104 -10.577 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -3.446 15.608 -10.762 1.00 0.00 H new ATOM 0 HD2 TYR A 72 0.711 16.510 -10.076 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -3.092 13.342 -9.828 1.00 0.00 H new ATOM 0 HE2 TYR A 72 1.045 14.236 -9.152 1.00 0.00 H new ATOM 0 HH TYR A 72 0.119 12.284 -8.643 1.00 0.00 H new ATOM 928 N ASP A 73 -1.454 19.366 -14.067 1.00 0.00 N ATOM 929 CA ASP A 73 -1.746 20.650 -14.719 1.00 0.00 C ATOM 930 C ASP A 73 -2.543 20.389 -15.991 1.00 0.00 C ATOM 931 O ASP A 73 -2.119 20.746 -17.093 1.00 0.00 O ATOM 932 CB ASP A 73 -0.436 21.393 -15.061 1.00 0.00 C ATOM 933 CG ASP A 73 -0.738 22.804 -15.605 1.00 0.00 C ATOM 934 OD1 ASP A 73 -1.853 23.280 -15.422 1.00 0.00 O ATOM 935 OD2 ASP A 73 0.150 23.379 -16.207 1.00 0.00 O ATOM 0 H ASP A 73 -0.583 18.928 -14.366 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.326 21.275 -14.040 1.00 0.00 H new ATOM 0 HB2 ASP A 73 0.189 21.467 -14.171 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.128 20.825 -15.801 1.00 0.00 H new ATOM 940 N VAL A 74 -3.693 19.741 -15.836 1.00 0.00 N ATOM 941 CA VAL A 74 -4.523 19.383 -16.995 1.00 0.00 C ATOM 942 C VAL A 74 -4.869 20.617 -17.831 1.00 0.00 C ATOM 943 O VAL A 74 -4.777 20.583 -19.059 1.00 0.00 O ATOM 944 CB VAL A 74 -5.843 18.712 -16.517 1.00 0.00 C ATOM 945 CG1 VAL A 74 -6.692 18.241 -17.741 1.00 0.00 C ATOM 946 CG2 VAL A 74 -5.516 17.505 -15.599 1.00 0.00 C ATOM 0 H VAL A 74 -4.073 19.453 -14.934 1.00 0.00 H new ATOM 0 HA VAL A 74 -3.951 18.689 -17.611 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.424 19.443 -15.955 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -7.611 17.774 -17.388 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.938 19.100 -18.365 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -6.120 17.520 -18.325 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -6.444 17.039 -15.267 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -4.922 16.778 -16.152 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.952 17.850 -14.732 1.00 0.00 H new ATOM 956 N ASP A 75 -5.291 21.691 -17.164 1.00 0.00 N ATOM 957 CA ASP A 75 -5.697 22.910 -17.858 1.00 0.00 C ATOM 958 C ASP A 75 -4.481 23.589 -18.474 1.00 0.00 C ATOM 959 O ASP A 75 -4.634 24.484 -19.306 1.00 0.00 O ATOM 960 CB ASP A 75 -6.393 23.858 -16.859 1.00 0.00 C ATOM 961 CG ASP A 75 -7.640 23.183 -16.280 1.00 0.00 C ATOM 962 OD1 ASP A 75 -8.437 22.691 -17.064 1.00 0.00 O ATOM 963 OD2 ASP A 75 -7.785 23.165 -15.066 1.00 0.00 O ATOM 0 H ASP A 75 -5.360 21.741 -16.148 1.00 0.00 H new ATOM 0 HA ASP A 75 -6.394 22.659 -18.658 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -5.705 24.121 -16.055 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -6.670 24.786 -17.358 1.00 0.00 H new ATOM 968 N GLY A 76 -3.276 23.170 -18.065 1.00 0.00 N ATOM 969 CA GLY A 76 -2.046 23.758 -18.591 1.00 0.00 C ATOM 970 C GLY A 76 -1.858 25.159 -18.036 1.00 0.00 C ATOM 971 O GLY A 76 -1.031 25.921 -18.544 1.00 0.00 O ATOM 0 H GLY A 76 -3.131 22.431 -17.377 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -1.193 23.135 -18.323 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -2.087 23.792 -19.680 1.00 0.00 H new ATOM 975 N ASP A 77 -2.634 25.509 -16.994 1.00 0.00 N ATOM 976 CA ASP A 77 -2.545 26.850 -16.386 1.00 0.00 C ATOM 977 C ASP A 77 -1.393 26.920 -15.411 1.00 0.00 C ATOM 978 O ASP A 77 -1.010 28.011 -15.018 1.00 0.00 O ATOM 979 CB ASP A 77 -3.867 27.167 -15.657 1.00 0.00 C ATOM 980 CG ASP A 77 -4.223 26.055 -14.657 1.00 0.00 C ATOM 981 OD1 ASP A 77 -3.348 25.270 -14.304 1.00 0.00 O ATOM 982 OD2 ASP A 77 -5.372 26.009 -14.254 1.00 0.00 O ATOM 0 H ASP A 77 -3.321 24.892 -16.560 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.372 27.583 -17.174 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -3.779 28.118 -15.133 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -4.671 27.278 -16.385 1.00 0.00 H new ATOM 987 N ARG A 78 -0.859 25.747 -15.032 1.00 0.00 N ATOM 988 CA ARG A 78 0.279 25.644 -14.088 1.00 0.00 C ATOM 989 C ARG A 78 -0.149 25.917 -12.662 1.00 0.00 C ATOM 990 O ARG A 78 0.687 25.972 -11.761 1.00 0.00 O ATOM 991 CB ARG A 78 1.411 26.631 -14.497 1.00 0.00 C ATOM 992 CG ARG A 78 1.849 26.337 -15.952 1.00 0.00 C ATOM 993 CD ARG A 78 2.913 27.348 -16.398 1.00 0.00 C ATOM 994 NE ARG A 78 3.344 27.029 -17.757 1.00 0.00 N ATOM 995 CZ ARG A 78 4.149 25.991 -18.014 1.00 0.00 C ATOM 996 NH1 ARG A 78 4.560 25.218 -17.039 1.00 0.00 N ATOM 997 NH2 ARG A 78 4.518 25.748 -19.234 1.00 0.00 N ATOM 0 H ARG A 78 -1.198 24.845 -15.366 1.00 0.00 H new ATOM 0 HA ARG A 78 0.653 24.621 -14.137 1.00 0.00 H new ATOM 0 HB2 ARG A 78 1.060 27.659 -14.412 1.00 0.00 H new ATOM 0 HB3 ARG A 78 2.260 26.527 -13.822 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.246 25.324 -16.023 1.00 0.00 H new ATOM 0 HG3 ARG A 78 0.987 26.388 -16.617 1.00 0.00 H new ATOM 0 HD2 ARG A 78 2.508 28.359 -16.361 1.00 0.00 H new ATOM 0 HD3 ARG A 78 3.765 27.320 -15.718 1.00 0.00 H new ATOM 0 HE ARG A 78 3.023 27.612 -18.530 1.00 0.00 H new ATOM 0 HH11 ARG A 78 4.266 25.406 -16.080 1.00 0.00 H new ATOM 0 HH12 ARG A 78 5.173 24.428 -17.239 1.00 0.00 H new ATOM 0 HH21 ARG A 78 4.195 26.347 -19.994 1.00 0.00 H new ATOM 0 HH22 ARG A 78 5.131 24.958 -19.433 1.00 0.00 H new ATOM 1011 N VAL A 79 -1.455 26.087 -12.455 1.00 0.00 N ATOM 1012 CA VAL A 79 -2.009 26.359 -11.122 1.00 0.00 C ATOM 1013 C VAL A 79 -3.356 25.666 -10.988 1.00 0.00 C ATOM 1014 O VAL A 79 -4.182 25.718 -11.896 1.00 0.00 O ATOM 1015 CB VAL A 79 -2.176 27.897 -10.907 1.00 0.00 C ATOM 1016 CG1 VAL A 79 -0.783 28.587 -10.817 1.00 0.00 C ATOM 1017 CG2 VAL A 79 -2.995 28.523 -12.079 1.00 0.00 C ATOM 0 H VAL A 79 -2.155 26.041 -13.196 1.00 0.00 H new ATOM 0 HA VAL A 79 -1.325 25.977 -10.364 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.713 28.055 -9.972 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -0.917 29.658 -10.667 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.224 28.170 -9.979 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -0.232 28.416 -11.742 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.103 29.595 -11.915 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -2.473 28.350 -13.020 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -3.981 28.061 -12.121 1.00 0.00 H new ATOM 1027 N LEU A 80 -3.568 25.012 -9.859 1.00 0.00 N ATOM 1028 CA LEU A 80 -4.805 24.315 -9.574 1.00 0.00 C ATOM 1029 C LEU A 80 -5.152 24.473 -8.100 1.00 0.00 C ATOM 1030 O LEU A 80 -4.295 24.277 -7.234 1.00 0.00 O ATOM 1031 CB LEU A 80 -4.627 22.843 -9.932 1.00 0.00 C ATOM 1032 CG LEU A 80 -3.341 22.223 -9.211 1.00 0.00 C ATOM 1033 CD1 LEU A 80 -3.759 21.248 -8.088 1.00 0.00 C ATOM 1034 CD2 LEU A 80 -2.439 21.496 -10.244 1.00 0.00 C ATOM 0 H LEU A 80 -2.879 24.951 -9.110 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.621 24.732 -10.164 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.516 22.285 -9.639 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.527 22.738 -11.012 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.775 23.040 -8.764 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.868 20.838 -7.612 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -4.355 21.781 -7.347 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.349 20.436 -8.512 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.568 21.080 -9.737 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.003 20.692 -10.717 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.112 22.205 -11.004 1.00 0.00 H new ATOM 1046 N ASP A 81 -6.404 24.798 -7.813 1.00 0.00 N ATOM 1047 CA ASP A 81 -6.906 24.976 -6.453 1.00 0.00 C ATOM 1048 C ASP A 81 -7.616 23.709 -5.996 1.00 0.00 C ATOM 1049 O ASP A 81 -7.517 22.661 -6.632 1.00 0.00 O ATOM 1050 CB ASP A 81 -7.859 26.187 -6.421 1.00 0.00 C ATOM 1051 CG ASP A 81 -9.159 25.888 -7.172 1.00 0.00 C ATOM 1052 OD1 ASP A 81 -10.056 25.356 -6.545 1.00 0.00 O ATOM 1053 OD2 ASP A 81 -9.228 26.185 -8.352 1.00 0.00 O ATOM 0 H ASP A 81 -7.114 24.949 -8.529 1.00 0.00 H new ATOM 0 HA ASP A 81 -6.077 25.164 -5.770 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -8.085 26.448 -5.387 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -7.368 27.051 -6.868 1.00 0.00 H new ATOM 1058 N ALA A 82 -8.359 23.834 -4.893 1.00 0.00 N ATOM 1059 CA ALA A 82 -9.133 22.724 -4.320 1.00 0.00 C ATOM 1060 C ALA A 82 -9.951 21.979 -5.386 1.00 0.00 C ATOM 1061 O ALA A 82 -10.423 20.866 -5.149 1.00 0.00 O ATOM 1062 CB ALA A 82 -10.095 23.258 -3.229 1.00 0.00 C ATOM 0 H ALA A 82 -8.442 24.706 -4.371 1.00 0.00 H new ATOM 0 HA ALA A 82 -8.419 22.023 -3.887 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -10.665 22.429 -2.809 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -9.518 23.739 -2.439 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -10.780 23.982 -3.670 1.00 0.00 H new ATOM 1068 N GLU A 83 -10.103 22.612 -6.553 1.00 0.00 N ATOM 1069 CA GLU A 83 -10.891 22.023 -7.640 1.00 0.00 C ATOM 1070 C GLU A 83 -10.226 20.764 -8.180 1.00 0.00 C ATOM 1071 O GLU A 83 -10.794 19.675 -8.105 1.00 0.00 O ATOM 1072 CB GLU A 83 -11.057 23.086 -8.801 1.00 0.00 C ATOM 1073 CG GLU A 83 -12.438 23.782 -8.716 1.00 0.00 C ATOM 1074 CD GLU A 83 -12.569 24.541 -7.389 1.00 0.00 C ATOM 1075 OE1 GLU A 83 -12.808 23.894 -6.381 1.00 0.00 O ATOM 1076 OE2 GLU A 83 -12.404 25.751 -7.399 1.00 0.00 O ATOM 0 H GLU A 83 -9.696 23.522 -6.768 1.00 0.00 H new ATOM 0 HA GLU A 83 -11.870 21.745 -7.250 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -10.264 23.831 -8.734 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -10.951 22.594 -9.768 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -12.557 24.472 -9.551 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -13.233 23.041 -8.799 1.00 0.00 H new ATOM 1083 N GLU A 84 -9.024 20.919 -8.726 1.00 0.00 N ATOM 1084 CA GLU A 84 -8.276 19.784 -9.282 1.00 0.00 C ATOM 1085 C GLU A 84 -7.464 19.087 -8.219 1.00 0.00 C ATOM 1086 O GLU A 84 -7.091 17.925 -8.364 1.00 0.00 O ATOM 1087 CB GLU A 84 -7.345 20.264 -10.446 1.00 0.00 C ATOM 1088 CG GLU A 84 -7.143 19.158 -11.522 1.00 0.00 C ATOM 1089 CD GLU A 84 -6.302 18.015 -10.933 1.00 0.00 C ATOM 1090 OE1 GLU A 84 -5.201 18.296 -10.491 1.00 0.00 O ATOM 1091 OE2 GLU A 84 -6.783 16.898 -10.886 1.00 0.00 O ATOM 0 H GLU A 84 -8.543 21.816 -8.798 1.00 0.00 H new ATOM 0 HA GLU A 84 -8.998 19.069 -9.676 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.775 21.150 -10.913 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.377 20.556 -10.039 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.109 18.778 -11.854 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.646 19.575 -12.398 1.00 0.00 H new ATOM 1098 N GLN A 85 -7.175 19.811 -7.139 1.00 0.00 N ATOM 1099 CA GLN A 85 -6.344 19.266 -6.074 1.00 0.00 C ATOM 1100 C GLN A 85 -6.987 18.057 -5.433 1.00 0.00 C ATOM 1101 O GLN A 85 -6.307 17.091 -5.105 1.00 0.00 O ATOM 1102 CB GLN A 85 -6.098 20.335 -4.993 1.00 0.00 C ATOM 1103 CG GLN A 85 -4.978 19.893 -4.019 1.00 0.00 C ATOM 1104 CD GLN A 85 -4.745 20.958 -2.949 1.00 0.00 C ATOM 1105 OE1 GLN A 85 -4.543 20.630 -1.782 1.00 0.00 O ATOM 1106 NE2 GLN A 85 -4.765 22.217 -3.285 1.00 0.00 N ATOM 0 H GLN A 85 -7.501 20.765 -6.981 1.00 0.00 H new ATOM 0 HA GLN A 85 -5.397 18.962 -6.521 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -5.823 21.278 -5.465 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.018 20.514 -4.437 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -5.251 18.949 -3.547 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -4.055 19.718 -4.572 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -4.933 22.483 -4.255 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -4.612 22.936 -2.578 1.00 0.00 H new ATOM 1115 N MET A 86 -8.297 18.131 -5.212 1.00 0.00 N ATOM 1116 CA MET A 86 -9.007 17.042 -4.547 1.00 0.00 C ATOM 1117 C MET A 86 -8.704 15.693 -5.202 1.00 0.00 C ATOM 1118 O MET A 86 -8.419 14.707 -4.522 1.00 0.00 O ATOM 1119 CB MET A 86 -10.530 17.307 -4.587 1.00 0.00 C ATOM 1120 CG MET A 86 -11.267 16.332 -3.646 1.00 0.00 C ATOM 1121 SD MET A 86 -13.049 16.659 -3.699 1.00 0.00 S ATOM 1122 CE MET A 86 -13.411 16.339 -1.954 1.00 0.00 C ATOM 0 H MET A 86 -8.882 18.923 -5.480 1.00 0.00 H new ATOM 0 HA MET A 86 -8.665 17.002 -3.513 1.00 0.00 H new ATOM 0 HB2 MET A 86 -10.735 18.335 -4.290 1.00 0.00 H new ATOM 0 HB3 MET A 86 -10.900 17.190 -5.606 1.00 0.00 H new ATOM 0 HG2 MET A 86 -11.068 15.303 -3.945 1.00 0.00 H new ATOM 0 HG3 MET A 86 -10.897 16.446 -2.627 1.00 0.00 H new ATOM 0 HE1 MET A 86 -14.220 16.991 -1.625 1.00 0.00 H new ATOM 0 HE2 MET A 86 -13.710 15.298 -1.829 1.00 0.00 H new ATOM 0 HE3 MET A 86 -12.521 16.535 -1.356 1.00 0.00 H new ATOM 1132 N LYS A 87 -8.779 15.667 -6.528 1.00 0.00 N ATOM 1133 CA LYS A 87 -8.537 14.442 -7.284 1.00 0.00 C ATOM 1134 C LYS A 87 -7.127 13.932 -7.055 1.00 0.00 C ATOM 1135 O LYS A 87 -6.901 12.721 -7.025 1.00 0.00 O ATOM 1136 CB LYS A 87 -8.736 14.712 -8.784 1.00 0.00 C ATOM 1137 CG LYS A 87 -10.197 15.183 -9.067 1.00 0.00 C ATOM 1138 CD LYS A 87 -10.504 15.094 -10.585 1.00 0.00 C ATOM 1139 CE LYS A 87 -9.512 15.952 -11.409 1.00 0.00 C ATOM 1140 NZ LYS A 87 -10.089 16.223 -12.743 1.00 0.00 N ATOM 0 H LYS A 87 -9.005 16.479 -7.102 1.00 0.00 H new ATOM 0 HA LYS A 87 -9.244 13.686 -6.942 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -8.031 15.473 -9.119 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -8.523 13.807 -9.354 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -10.901 14.565 -8.509 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -10.330 16.208 -8.721 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -10.447 14.055 -10.910 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -11.523 15.431 -10.773 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -9.308 16.889 -10.892 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -8.560 15.430 -11.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -9.425 16.799 -13.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -10.263 15.324 -13.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -10.986 16.737 -12.635 1.00 0.00 H new ATOM 1154 N MET A 88 -6.185 14.858 -6.906 1.00 0.00 N ATOM 1155 CA MET A 88 -4.793 14.486 -6.689 1.00 0.00 C ATOM 1156 C MET A 88 -4.624 13.812 -5.328 1.00 0.00 C ATOM 1157 O MET A 88 -4.188 12.667 -5.249 1.00 0.00 O ATOM 1158 CB MET A 88 -3.892 15.739 -6.767 1.00 0.00 C ATOM 1159 CG MET A 88 -2.405 15.357 -6.536 1.00 0.00 C ATOM 1160 SD MET A 88 -1.329 16.740 -6.977 1.00 0.00 S ATOM 1161 CE MET A 88 0.208 16.009 -6.371 1.00 0.00 C ATOM 0 H MET A 88 -6.359 15.863 -6.931 1.00 0.00 H new ATOM 0 HA MET A 88 -4.498 13.782 -7.467 1.00 0.00 H new ATOM 0 HB2 MET A 88 -4.004 16.214 -7.742 1.00 0.00 H new ATOM 0 HB3 MET A 88 -4.207 16.467 -6.019 1.00 0.00 H new ATOM 0 HG2 MET A 88 -2.250 15.085 -5.492 1.00 0.00 H new ATOM 0 HG3 MET A 88 -2.149 14.483 -7.135 1.00 0.00 H new ATOM 0 HE1 MET A 88 1.057 16.495 -6.853 1.00 0.00 H new ATOM 0 HE2 MET A 88 0.276 16.147 -5.292 1.00 0.00 H new ATOM 0 HE3 MET A 88 0.220 14.944 -6.602 1.00 0.00 H new ATOM 1171 N ALA A 89 -4.976 14.536 -4.251 1.00 0.00 N ATOM 1172 CA ALA A 89 -4.841 14.005 -2.892 1.00 0.00 C ATOM 1173 C ALA A 89 -5.539 12.652 -2.756 1.00 0.00 C ATOM 1174 O ALA A 89 -5.035 11.749 -2.087 1.00 0.00 O ATOM 1175 CB ALA A 89 -5.443 15.011 -1.886 1.00 0.00 C ATOM 0 H ALA A 89 -5.353 15.483 -4.299 1.00 0.00 H new ATOM 0 HA ALA A 89 -3.782 13.860 -2.681 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -5.343 14.618 -0.874 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -4.913 15.961 -1.960 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -6.498 15.166 -2.113 1.00 0.00 H new ATOM 1181 N HIS A 90 -6.702 12.526 -3.402 1.00 0.00 N ATOM 1182 CA HIS A 90 -7.475 11.283 -3.351 1.00 0.00 C ATOM 1183 C HIS A 90 -6.713 10.151 -4.030 1.00 0.00 C ATOM 1184 O HIS A 90 -6.653 9.036 -3.501 1.00 0.00 O ATOM 1185 CB HIS A 90 -8.838 11.493 -4.056 1.00 0.00 C ATOM 1186 CG HIS A 90 -9.723 12.361 -3.206 1.00 0.00 C ATOM 1187 ND1 HIS A 90 -9.212 13.318 -2.344 1.00 0.00 N ATOM 1188 CD2 HIS A 90 -11.082 12.399 -3.051 1.00 0.00 C ATOM 1189 CE1 HIS A 90 -10.251 13.885 -1.713 1.00 0.00 C ATOM 1190 NE2 HIS A 90 -11.416 13.362 -2.108 1.00 0.00 N ATOM 0 H HIS A 90 -7.126 13.265 -3.963 1.00 0.00 H new ATOM 0 HA HIS A 90 -7.640 11.014 -2.308 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -8.686 11.957 -5.031 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -9.318 10.531 -4.233 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -11.787 11.776 -3.581 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -10.158 14.669 -0.976 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -12.350 13.616 -1.786 1.00 0.00 H new ATOM 1198 N ASP A 91 -6.149 10.424 -5.210 1.00 0.00 N ATOM 1199 CA ASP A 91 -5.422 9.401 -5.961 1.00 0.00 C ATOM 1200 C ASP A 91 -4.201 8.917 -5.182 1.00 0.00 C ATOM 1201 O ASP A 91 -3.876 7.737 -5.211 1.00 0.00 O ATOM 1202 CB ASP A 91 -4.978 9.980 -7.326 1.00 0.00 C ATOM 1203 CG ASP A 91 -4.278 8.899 -8.164 1.00 0.00 C ATOM 1204 OD1 ASP A 91 -4.880 7.855 -8.355 1.00 0.00 O ATOM 1205 OD2 ASP A 91 -3.150 9.119 -8.579 1.00 0.00 O ATOM 0 H ASP A 91 -6.182 11.338 -5.662 1.00 0.00 H new ATOM 0 HA ASP A 91 -6.085 8.550 -6.120 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -5.845 10.363 -7.865 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -4.303 10.821 -7.169 1.00 0.00 H new ATOM 1210 N LEU A 92 -3.539 9.842 -4.496 1.00 0.00 N ATOM 1211 CA LEU A 92 -2.338 9.517 -3.717 1.00 0.00 C ATOM 1212 C LEU A 92 -2.685 8.630 -2.550 1.00 0.00 C ATOM 1213 O LEU A 92 -1.889 7.762 -2.157 1.00 0.00 O ATOM 1214 CB LEU A 92 -1.674 10.822 -3.226 1.00 0.00 C ATOM 1215 CG LEU A 92 -1.111 11.645 -4.436 1.00 0.00 C ATOM 1216 CD1 LEU A 92 -0.656 13.042 -3.955 1.00 0.00 C ATOM 1217 CD2 LEU A 92 0.083 10.898 -5.132 1.00 0.00 C ATOM 0 H LEU A 92 -3.810 10.825 -4.460 1.00 0.00 H new ATOM 0 HA LEU A 92 -1.638 8.976 -4.353 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -2.401 11.422 -2.678 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -0.867 10.587 -2.532 1.00 0.00 H new ATOM 0 HG LEU A 92 -1.909 11.756 -5.170 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.266 13.609 -4.800 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -1.505 13.572 -3.523 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.124 12.931 -3.202 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.449 11.496 -5.966 1.00 0.00 H new ATOM 0 HD22 LEU A 92 0.888 10.748 -4.412 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -0.258 9.931 -5.501 1.00 0.00 H new ATOM 1229 N GLU A 93 -3.862 8.845 -1.983 1.00 0.00 N ATOM 1230 CA GLU A 93 -4.287 8.055 -0.841 1.00 0.00 C ATOM 1231 C GLU A 93 -4.544 6.609 -1.251 1.00 0.00 C ATOM 1232 O GLU A 93 -4.156 5.678 -0.546 1.00 0.00 O ATOM 1233 CB GLU A 93 -5.573 8.668 -0.229 1.00 0.00 C ATOM 1234 CG GLU A 93 -5.882 8.030 1.160 1.00 0.00 C ATOM 1235 CD GLU A 93 -4.809 8.438 2.178 1.00 0.00 C ATOM 1236 OE1 GLU A 93 -4.884 9.554 2.664 1.00 0.00 O ATOM 1237 OE2 GLU A 93 -3.912 7.645 2.426 1.00 0.00 O ATOM 0 H GLU A 93 -4.531 9.551 -2.291 1.00 0.00 H new ATOM 0 HA GLU A 93 -3.491 8.065 -0.096 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -5.452 9.746 -0.121 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -6.414 8.508 -0.903 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -6.864 8.352 1.506 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -5.916 6.944 1.071 1.00 0.00 H new ATOM 1244 N GLY A 94 -5.212 6.431 -2.396 1.00 0.00 N ATOM 1245 CA GLY A 94 -5.536 5.095 -2.896 1.00 0.00 C ATOM 1246 C GLY A 94 -4.296 4.401 -3.400 1.00 0.00 C ATOM 1247 O GLY A 94 -4.200 3.175 -3.369 1.00 0.00 O ATOM 0 H GLY A 94 -5.537 7.194 -2.990 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -5.992 4.504 -2.102 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -6.269 5.169 -3.699 1.00 0.00 H new ATOM 1251 N GLN A 95 -3.338 5.201 -3.879 1.00 0.00 N ATOM 1252 CA GLN A 95 -2.087 4.658 -4.414 1.00 0.00 C ATOM 1253 C GLN A 95 -1.319 3.924 -3.329 1.00 0.00 C ATOM 1254 O GLN A 95 -0.774 2.846 -3.561 1.00 0.00 O ATOM 1255 CB GLN A 95 -1.194 5.791 -4.998 1.00 0.00 C ATOM 1256 CG GLN A 95 -0.066 5.199 -5.903 1.00 0.00 C ATOM 1257 CD GLN A 95 -0.667 4.681 -7.212 1.00 0.00 C ATOM 1258 OE1 GLN A 95 -0.788 3.472 -7.413 1.00 0.00 O ATOM 1259 NE2 GLN A 95 -1.081 5.540 -8.095 1.00 0.00 N ATOM 0 H GLN A 95 -3.404 6.218 -3.907 1.00 0.00 H new ATOM 0 HA GLN A 95 -2.343 3.961 -5.212 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -1.807 6.481 -5.578 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -0.750 6.366 -4.185 1.00 0.00 H new ATOM 0 HG2 GLN A 95 0.682 5.963 -6.113 1.00 0.00 H new ATOM 0 HG3 GLN A 95 0.444 4.389 -5.381 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -0.977 6.540 -7.922 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -1.510 5.214 -8.961 1.00 0.00 H new ATOM 1268 N LYS A 96 -1.272 4.521 -2.141 1.00 0.00 N ATOM 1269 CA LYS A 96 -0.550 3.919 -1.024 1.00 0.00 C ATOM 1270 C LYS A 96 -1.125 2.540 -0.696 1.00 0.00 C ATOM 1271 O LYS A 96 -0.384 1.580 -0.488 1.00 0.00 O ATOM 1272 CB LYS A 96 -0.657 4.836 0.200 1.00 0.00 C ATOM 1273 CG LYS A 96 0.251 4.320 1.359 1.00 0.00 C ATOM 1274 CD LYS A 96 0.201 5.282 2.573 1.00 0.00 C ATOM 1275 CE LYS A 96 -1.187 5.245 3.262 1.00 0.00 C ATOM 1276 NZ LYS A 96 -1.112 5.999 4.522 1.00 0.00 N ATOM 0 H LYS A 96 -1.720 5.412 -1.928 1.00 0.00 H new ATOM 0 HA LYS A 96 0.497 3.798 -1.300 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -0.365 5.850 -0.073 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -1.693 4.882 0.536 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -0.073 3.325 1.665 1.00 0.00 H new ATOM 0 HG3 LYS A 96 1.278 4.226 1.007 1.00 0.00 H new ATOM 0 HD2 LYS A 96 0.973 5.006 3.291 1.00 0.00 H new ATOM 0 HD3 LYS A 96 0.420 6.298 2.244 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -1.944 5.677 2.608 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -1.484 4.214 3.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -2.039 5.981 4.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -0.399 5.566 5.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -0.845 6.984 4.322 1.00 0.00 H new ATOM 1290 N SER A 97 -2.459 2.465 -0.646 1.00 0.00 N ATOM 1291 CA SER A 97 -3.146 1.210 -0.341 1.00 0.00 C ATOM 1292 C SER A 97 -2.866 0.170 -1.423 1.00 0.00 C ATOM 1293 O SER A 97 -2.601 -1.000 -1.131 1.00 0.00 O ATOM 1294 CB SER A 97 -4.659 1.451 -0.237 1.00 0.00 C ATOM 1295 OG SER A 97 -5.296 0.217 0.065 1.00 0.00 O ATOM 0 H SER A 97 -3.081 3.256 -0.812 1.00 0.00 H new ATOM 0 HA SER A 97 -2.773 0.836 0.612 1.00 0.00 H new ATOM 0 HB2 SER A 97 -4.872 2.186 0.539 1.00 0.00 H new ATOM 0 HB3 SER A 97 -5.043 1.855 -1.174 1.00 0.00 H new ATOM 0 HG SER A 97 -6.263 0.357 0.136 1.00 0.00 H new ATOM 1301 N ASP A 98 -2.924 0.613 -2.684 1.00 0.00 N ATOM 1302 CA ASP A 98 -2.686 -0.276 -3.825 1.00 0.00 C ATOM 1303 C ASP A 98 -1.270 -0.843 -3.775 1.00 0.00 C ATOM 1304 O ASP A 98 -1.059 -2.019 -4.047 1.00 0.00 O ATOM 1305 CB ASP A 98 -2.903 0.504 -5.146 1.00 0.00 C ATOM 1306 CG ASP A 98 -4.350 1.007 -5.247 1.00 0.00 C ATOM 1307 OD1 ASP A 98 -5.060 0.966 -4.252 1.00 0.00 O ATOM 1308 OD2 ASP A 98 -4.731 1.420 -6.330 1.00 0.00 O ATOM 0 H ASP A 98 -3.133 1.578 -2.939 1.00 0.00 H new ATOM 0 HA ASP A 98 -3.390 -1.107 -3.778 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -2.215 1.348 -5.193 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -2.676 -0.140 -5.996 1.00 0.00 H new ATOM 1313 N LEU A 99 -0.310 0.004 -3.417 1.00 0.00 N ATOM 1314 CA LEU A 99 1.092 -0.418 -3.331 1.00 0.00 C ATOM 1315 C LEU A 99 1.293 -1.435 -2.233 1.00 0.00 C ATOM 1316 O LEU A 99 1.993 -2.433 -2.419 1.00 0.00 O ATOM 1317 CB LEU A 99 1.984 0.814 -3.080 1.00 0.00 C ATOM 1318 CG LEU A 99 2.070 1.706 -4.371 1.00 0.00 C ATOM 1319 CD1 LEU A 99 2.538 3.124 -4.001 1.00 0.00 C ATOM 1320 CD2 LEU A 99 3.060 1.081 -5.405 1.00 0.00 C ATOM 0 H LEU A 99 -0.472 0.983 -3.182 1.00 0.00 H new ATOM 0 HA LEU A 99 1.369 -0.887 -4.275 1.00 0.00 H new ATOM 0 HB2 LEU A 99 1.581 1.399 -2.253 1.00 0.00 H new ATOM 0 HB3 LEU A 99 2.983 0.493 -2.786 1.00 0.00 H new ATOM 0 HG LEU A 99 1.078 1.758 -4.820 1.00 0.00 H new ATOM 0 HD11 LEU A 99 2.595 3.735 -4.902 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.829 3.571 -3.304 1.00 0.00 H new ATOM 0 HD13 LEU A 99 3.522 3.072 -3.535 1.00 0.00 H new ATOM 0 HD21 LEU A 99 3.106 1.713 -6.292 1.00 0.00 H new ATOM 0 HD22 LEU A 99 4.052 1.007 -4.960 1.00 0.00 H new ATOM 0 HD23 LEU A 99 2.713 0.086 -5.685 1.00 0.00 H new ATOM 1332 N ASN A 100 0.685 -1.176 -1.085 1.00 0.00 N ATOM 1333 CA ASN A 100 0.813 -2.072 0.066 1.00 0.00 C ATOM 1334 C ASN A 100 0.457 -3.510 -0.358 1.00 0.00 C ATOM 1335 O ASN A 100 1.138 -4.466 0.011 1.00 0.00 O ATOM 1336 CB ASN A 100 -0.127 -1.589 1.234 1.00 0.00 C ATOM 1337 CG ASN A 100 -1.228 -2.624 1.516 1.00 0.00 C ATOM 1338 OD1 ASN A 100 -0.966 -3.642 2.155 1.00 0.00 O ATOM 1339 ND2 ASN A 100 -2.420 -2.450 1.023 1.00 0.00 N ATOM 0 H ASN A 100 0.099 -0.357 -0.921 1.00 0.00 H new ATOM 0 HA ASN A 100 1.842 -2.056 0.425 1.00 0.00 H new ATOM 0 HB2 ASN A 100 0.462 -1.424 2.136 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -0.580 -0.633 0.970 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -3.140 -3.159 1.166 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -2.635 -1.605 0.494 1.00 0.00 H new ATOM 1346 N ASN A 101 -0.637 -3.629 -1.126 1.00 0.00 N ATOM 1347 CA ASN A 101 -1.106 -4.938 -1.595 1.00 0.00 C ATOM 1348 C ASN A 101 -0.115 -5.538 -2.586 1.00 0.00 C ATOM 1349 O ASN A 101 0.311 -6.681 -2.428 1.00 0.00 O ATOM 1350 CB ASN A 101 -2.491 -4.796 -2.259 1.00 0.00 C ATOM 1351 CG ASN A 101 -3.478 -4.184 -1.269 1.00 0.00 C ATOM 1352 OD1 ASN A 101 -3.547 -4.614 -0.118 1.00 0.00 O ATOM 1353 ND2 ASN A 101 -4.246 -3.203 -1.649 1.00 0.00 N ATOM 0 H ASN A 101 -1.208 -2.841 -1.432 1.00 0.00 H new ATOM 0 HA ASN A 101 -1.187 -5.604 -0.736 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -2.416 -4.168 -3.147 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -2.849 -5.772 -2.587 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -4.907 -2.789 -0.992 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -4.186 -2.849 -2.604 1.00 0.00 H new ATOM 1360 N GLN A 102 0.238 -4.748 -3.609 1.00 0.00 N ATOM 1361 CA GLN A 102 1.181 -5.201 -4.643 1.00 0.00 C ATOM 1362 C GLN A 102 2.428 -5.783 -3.987 1.00 0.00 C ATOM 1363 O GLN A 102 2.932 -6.824 -4.411 1.00 0.00 O ATOM 1364 CB GLN A 102 1.564 -4.016 -5.562 1.00 0.00 C ATOM 1365 CG GLN A 102 0.382 -3.646 -6.494 1.00 0.00 C ATOM 1366 CD GLN A 102 0.718 -2.400 -7.310 1.00 0.00 C ATOM 1367 OE1 GLN A 102 0.112 -1.345 -7.122 1.00 0.00 O ATOM 1368 NE2 GLN A 102 1.664 -2.465 -8.201 1.00 0.00 N ATOM 0 H GLN A 102 -0.111 -3.799 -3.743 1.00 0.00 H new ATOM 0 HA GLN A 102 0.706 -5.975 -5.246 1.00 0.00 H new ATOM 0 HB2 GLN A 102 1.841 -3.153 -4.956 1.00 0.00 H new ATOM 0 HB3 GLN A 102 2.437 -4.279 -6.159 1.00 0.00 H new ATOM 0 HG2 GLN A 102 0.163 -4.479 -7.163 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -0.515 -3.469 -5.901 1.00 0.00 H new ATOM 0 HE21 GLN A 102 2.163 -3.342 -8.352 1.00 0.00 H new ATOM 0 HE22 GLN A 102 1.907 -1.639 -8.748 1.00 0.00 H new ATOM 1377 N LEU A 103 2.912 -5.105 -2.944 1.00 0.00 N ATOM 1378 CA LEU A 103 4.105 -5.546 -2.208 1.00 0.00 C ATOM 1379 C LEU A 103 3.728 -6.454 -1.086 1.00 0.00 C ATOM 1380 O LEU A 103 4.609 -6.918 -0.366 1.00 0.00 O ATOM 1381 CB LEU A 103 4.882 -4.303 -1.679 1.00 0.00 C ATOM 1382 CG LEU A 103 5.792 -3.712 -2.803 1.00 0.00 C ATOM 1383 CD1 LEU A 103 6.952 -4.715 -3.186 1.00 0.00 C ATOM 1384 CD2 LEU A 103 4.935 -3.353 -4.066 1.00 0.00 C ATOM 0 H LEU A 103 2.496 -4.245 -2.587 1.00 0.00 H new ATOM 0 HA LEU A 103 4.752 -6.105 -2.884 1.00 0.00 H new ATOM 0 HB2 LEU A 103 4.178 -3.545 -1.336 1.00 0.00 H new ATOM 0 HB3 LEU A 103 5.491 -4.585 -0.820 1.00 0.00 H new ATOM 0 HG LEU A 103 6.252 -2.800 -2.421 1.00 0.00 H new ATOM 0 HD11 LEU A 103 7.568 -4.276 -3.971 1.00 0.00 H new ATOM 0 HD12 LEU A 103 7.568 -4.912 -2.308 1.00 0.00 H new ATOM 0 HD13 LEU A 103 6.521 -5.650 -3.544 1.00 0.00 H new ATOM 0 HD21 LEU A 103 5.583 -2.942 -4.841 1.00 0.00 H new ATOM 0 HD22 LEU A 103 4.446 -4.252 -4.441 1.00 0.00 H new ATOM 0 HD23 LEU A 103 4.180 -2.615 -3.796 1.00 0.00 H new