USER MOD reduce.3.24.130724 H: found=0, std=0, add=622, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 620 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 11 THR OG1 : rot -26:sc= 0.193 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= -0.33 X(o=-0.33,f=-0.42) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 HIS : no HE2:sc= -0.733 K(o=-0.73,f=-2.9!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot -60:sc= 1.26 USER MOD Single : A 59 CYS SG : rot 89:sc= 0.381 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=-0.0042) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 MET CE :methyl 155:sc= -1.7 (180deg=-2.79!) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 86 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0135) USER MOD Single : A 89 LYS NZ :NH3+ 171:sc= -0.0269 (180deg=-0.155) USER MOD Single : A 94 SER OG : rot 180:sc= 0.0304 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 113 N THR A 11 -8.754 -11.114 -9.232 1.00 0.00 N ATOM 114 CA THR A 11 -8.555 -9.984 -8.342 1.00 0.00 C ATOM 115 C THR A 11 -9.198 -8.749 -8.975 1.00 0.00 C ATOM 116 O THR A 11 -9.521 -8.761 -10.170 1.00 0.00 O ATOM 117 CB THR A 11 -7.056 -9.780 -8.072 1.00 0.00 C ATOM 118 OG1 THR A 11 -6.278 -9.815 -9.257 1.00 0.00 O ATOM 119 CG2 THR A 11 -6.506 -10.838 -7.130 1.00 0.00 C ATOM 0 HA THR A 11 -9.029 -10.168 -7.378 1.00 0.00 H new ATOM 0 HB THR A 11 -6.981 -8.792 -7.619 1.00 0.00 H new ATOM 0 HG1 THR A 11 -6.738 -10.353 -9.935 1.00 0.00 H new ATOM 0 HG21 THR A 11 -5.444 -10.660 -6.963 1.00 0.00 H new ATOM 0 HG22 THR A 11 -7.036 -10.789 -6.179 1.00 0.00 H new ATOM 0 HG23 THR A 11 -6.644 -11.825 -7.571 1.00 0.00 H new ATOM 127 N SER A 12 -9.327 -7.670 -8.208 1.00 0.00 N ATOM 128 CA SER A 12 -9.667 -6.351 -8.707 1.00 0.00 C ATOM 129 C SER A 12 -8.555 -5.415 -8.285 1.00 0.00 C ATOM 130 O SER A 12 -7.929 -5.609 -7.238 1.00 0.00 O ATOM 131 CB SER A 12 -11.003 -5.877 -8.134 1.00 0.00 C ATOM 132 OG SER A 12 -12.069 -6.380 -8.923 1.00 0.00 O ATOM 0 H SER A 12 -9.194 -7.695 -7.197 1.00 0.00 H new ATOM 0 HA SER A 12 -9.771 -6.372 -9.792 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.109 -6.217 -7.104 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.035 -4.788 -8.115 1.00 0.00 H new ATOM 0 HG SER A 12 -12.923 -6.075 -8.551 1.00 0.00 H new ATOM 138 N ASP A 13 -8.357 -4.390 -9.100 1.00 0.00 N ATOM 139 CA ASP A 13 -7.522 -3.257 -8.758 1.00 0.00 C ATOM 140 C ASP A 13 -8.448 -2.246 -8.100 1.00 0.00 C ATOM 141 O ASP A 13 -9.598 -2.082 -8.527 1.00 0.00 O ATOM 142 CB ASP A 13 -6.926 -2.579 -9.999 1.00 0.00 C ATOM 143 CG ASP A 13 -6.330 -3.519 -11.039 1.00 0.00 C ATOM 144 OD1 ASP A 13 -5.375 -4.263 -10.740 1.00 0.00 O ATOM 145 OD2 ASP A 13 -6.843 -3.505 -12.185 1.00 0.00 O ATOM 0 H ASP A 13 -8.778 -4.324 -10.027 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.699 -3.592 -8.126 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.705 -1.985 -10.476 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.150 -1.885 -9.675 1.00 0.00 H new ATOM 150 N VAL A 14 -7.944 -1.483 -7.143 1.00 0.00 N ATOM 151 CA VAL A 14 -8.577 -0.253 -6.711 1.00 0.00 C ATOM 152 C VAL A 14 -7.455 0.774 -6.684 1.00 0.00 C ATOM 153 O VAL A 14 -6.605 0.745 -5.792 1.00 0.00 O ATOM 154 CB VAL A 14 -9.342 -0.439 -5.381 1.00 0.00 C ATOM 155 CG1 VAL A 14 -10.096 0.854 -5.044 1.00 0.00 C ATOM 156 CG2 VAL A 14 -10.376 -1.582 -5.465 1.00 0.00 C ATOM 0 H VAL A 14 -7.082 -1.702 -6.644 1.00 0.00 H new ATOM 0 HA VAL A 14 -9.364 0.088 -7.383 1.00 0.00 H new ATOM 0 HB VAL A 14 -8.607 -0.684 -4.614 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -10.637 0.726 -4.106 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -9.385 1.674 -4.944 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -10.803 1.082 -5.842 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -10.891 -1.678 -4.509 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -11.102 -1.359 -6.247 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.867 -2.517 -5.698 1.00 0.00 H new ATOM 166 N VAL A 15 -7.394 1.618 -7.718 1.00 0.00 N ATOM 167 CA VAL A 15 -6.574 2.810 -7.657 1.00 0.00 C ATOM 168 C VAL A 15 -7.255 3.793 -6.715 1.00 0.00 C ATOM 169 O VAL A 15 -8.483 3.939 -6.741 1.00 0.00 O ATOM 170 CB VAL A 15 -6.312 3.401 -9.055 1.00 0.00 C ATOM 171 CG1 VAL A 15 -7.519 4.069 -9.733 1.00 0.00 C ATOM 172 CG2 VAL A 15 -5.188 4.436 -8.970 1.00 0.00 C ATOM 0 H VAL A 15 -7.900 1.492 -8.594 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.585 2.568 -7.269 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.051 2.541 -9.672 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -7.223 4.450 -10.710 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -8.318 3.338 -9.856 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.873 4.894 -9.115 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.003 4.854 -9.959 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.479 5.234 -8.287 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.280 3.958 -8.602 1.00 0.00 H new ATOM 182 N ILE A 16 -6.467 4.498 -5.911 1.00 0.00 N ATOM 183 CA ILE A 16 -6.912 5.614 -5.096 1.00 0.00 C ATOM 184 C ILE A 16 -5.862 6.692 -5.296 1.00 0.00 C ATOM 185 O ILE A 16 -4.665 6.406 -5.235 1.00 0.00 O ATOM 186 CB ILE A 16 -7.077 5.191 -3.619 1.00 0.00 C ATOM 187 CG1 ILE A 16 -8.046 3.988 -3.555 1.00 0.00 C ATOM 188 CG2 ILE A 16 -7.563 6.381 -2.758 1.00 0.00 C ATOM 189 CD1 ILE A 16 -8.315 3.447 -2.165 1.00 0.00 C ATOM 0 H ILE A 16 -5.472 4.300 -5.808 1.00 0.00 H new ATOM 0 HA ILE A 16 -7.896 5.981 -5.386 1.00 0.00 H new ATOM 0 HB ILE A 16 -6.115 4.886 -3.206 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -8.995 4.283 -4.002 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -7.641 3.183 -4.168 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -7.672 6.060 -1.722 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -6.835 7.191 -2.812 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -8.525 6.732 -3.132 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -9.006 2.606 -2.229 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -7.379 3.114 -1.717 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -8.754 4.231 -1.548 1.00 0.00 H new ATOM 201 N HIS A 17 -6.318 7.913 -5.544 1.00 0.00 N ATOM 202 CA HIS A 17 -5.503 9.113 -5.633 1.00 0.00 C ATOM 203 C HIS A 17 -5.731 9.938 -4.360 1.00 0.00 C ATOM 204 O HIS A 17 -6.806 9.845 -3.761 1.00 0.00 O ATOM 205 CB HIS A 17 -5.918 9.895 -6.882 1.00 0.00 C ATOM 206 CG HIS A 17 -5.650 9.168 -8.174 1.00 0.00 C ATOM 207 ND1 HIS A 17 -4.557 9.365 -8.983 1.00 0.00 N ATOM 208 CD2 HIS A 17 -6.425 8.193 -8.746 1.00 0.00 C ATOM 209 CE1 HIS A 17 -4.665 8.521 -10.020 1.00 0.00 C ATOM 210 NE2 HIS A 17 -5.777 7.781 -9.914 1.00 0.00 N ATOM 0 H HIS A 17 -7.309 8.100 -5.695 1.00 0.00 H new ATOM 0 HA HIS A 17 -4.443 8.872 -5.714 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -6.982 10.123 -6.819 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -5.388 10.847 -6.895 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -7.362 7.814 -8.365 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -3.953 8.448 -10.829 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -6.090 7.057 -10.561 1.00 0.00 H new ATOM 218 N ARG A 18 -4.774 10.772 -3.953 1.00 0.00 N ATOM 219 CA ARG A 18 -4.936 11.751 -2.870 1.00 0.00 C ATOM 220 C ARG A 18 -4.310 13.063 -3.321 1.00 0.00 C ATOM 221 O ARG A 18 -3.918 13.201 -4.483 1.00 0.00 O ATOM 222 CB ARG A 18 -4.367 11.228 -1.536 1.00 0.00 C ATOM 223 CG ARG A 18 -2.892 10.790 -1.600 1.00 0.00 C ATOM 224 CD ARG A 18 -2.322 10.274 -0.274 1.00 0.00 C ATOM 225 NE ARG A 18 -1.019 9.609 -0.468 1.00 0.00 N ATOM 226 CZ ARG A 18 -0.171 9.173 0.478 1.00 0.00 C ATOM 227 NH1 ARG A 18 -0.349 9.457 1.766 1.00 0.00 N ATOM 228 NH2 ARG A 18 0.867 8.429 0.120 1.00 0.00 N ATOM 0 H ARG A 18 -3.845 10.789 -4.373 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.994 11.922 -2.670 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.469 12.008 -0.781 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.970 10.383 -1.205 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.791 10.008 -2.353 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.290 11.635 -1.935 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.208 11.105 0.422 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.025 9.574 0.178 1.00 0.00 H new ATOM 0 HE ARG A 18 -0.728 9.463 -1.435 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -1.147 10.021 2.058 1.00 0.00 H new ATOM 0 HH12 ARG A 18 0.313 9.111 2.461 1.00 0.00 H new ATOM 0 HH21 ARG A 18 1.012 8.195 -0.862 1.00 0.00 H new ATOM 0 HH22 ARG A 18 1.520 8.090 0.827 1.00 0.00 H new ATOM 242 N LYS A 19 -4.206 14.033 -2.418 1.00 0.00 N ATOM 243 CA LYS A 19 -3.396 15.221 -2.615 1.00 0.00 C ATOM 244 C LYS A 19 -2.289 15.204 -1.575 1.00 0.00 C ATOM 245 O LYS A 19 -2.282 14.363 -0.675 1.00 0.00 O ATOM 246 CB LYS A 19 -4.254 16.478 -2.526 1.00 0.00 C ATOM 247 CG LYS A 19 -5.412 16.483 -3.534 1.00 0.00 C ATOM 248 CD LYS A 19 -6.707 15.857 -2.990 1.00 0.00 C ATOM 249 CE LYS A 19 -7.226 14.680 -3.827 1.00 0.00 C ATOM 250 NZ LYS A 19 -8.688 14.781 -4.038 1.00 0.00 N ATOM 0 H LYS A 19 -4.689 14.012 -1.520 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.952 15.227 -3.610 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -4.657 16.566 -1.517 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.627 17.353 -2.696 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -5.615 17.510 -3.836 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -5.105 15.942 -4.429 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.534 15.516 -1.969 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.479 16.625 -2.943 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.717 14.662 -4.790 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.992 13.741 -3.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -9.013 13.973 -4.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -9.173 14.774 -3.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -8.906 15.666 -4.538 1.00 0.00 H new ATOM 264 N GLU A 20 -1.325 16.106 -1.714 1.00 0.00 N ATOM 265 CA GLU A 20 -0.107 16.006 -0.925 1.00 0.00 C ATOM 266 C GLU A 20 -0.263 16.542 0.498 1.00 0.00 C ATOM 267 O GLU A 20 0.449 16.073 1.385 1.00 0.00 O ATOM 268 CB GLU A 20 1.080 16.613 -1.669 1.00 0.00 C ATOM 269 CG GLU A 20 0.901 18.052 -2.155 1.00 0.00 C ATOM 270 CD GLU A 20 2.072 18.376 -3.074 1.00 0.00 C ATOM 271 OE1 GLU A 20 3.117 18.839 -2.568 1.00 0.00 O ATOM 272 OE2 GLU A 20 2.014 17.996 -4.265 1.00 0.00 O ATOM 0 H GLU A 20 -1.362 16.900 -2.353 1.00 0.00 H new ATOM 0 HA GLU A 20 0.103 14.944 -0.797 1.00 0.00 H new ATOM 0 HB2 GLU A 20 1.951 16.577 -1.014 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.303 15.984 -2.531 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -0.045 18.162 -2.686 1.00 0.00 H new ATOM 0 HG3 GLU A 20 0.875 18.741 -1.311 1.00 0.00 H new ATOM 279 N ASN A 21 -1.222 17.438 0.766 1.00 0.00 N ATOM 280 CA ASN A 21 -1.486 17.946 2.122 1.00 0.00 C ATOM 281 C ASN A 21 -2.101 16.890 3.044 1.00 0.00 C ATOM 282 O ASN A 21 -2.227 17.130 4.247 1.00 0.00 O ATOM 283 CB ASN A 21 -2.409 19.182 2.090 1.00 0.00 C ATOM 284 CG ASN A 21 -1.625 20.469 1.892 1.00 0.00 C ATOM 285 OD1 ASN A 21 -1.559 20.987 0.782 1.00 0.00 O ATOM 286 ND2 ASN A 21 -1.031 21.019 2.939 1.00 0.00 N ATOM 0 H ASN A 21 -1.836 17.831 0.053 1.00 0.00 H new ATOM 0 HA ASN A 21 -0.512 18.224 2.525 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.136 19.072 1.285 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -2.972 19.239 3.022 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -0.508 21.888 2.830 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -1.097 20.574 3.855 1.00 0.00 H new ATOM 293 N GLU A 22 -2.516 15.741 2.516 1.00 0.00 N ATOM 294 CA GLU A 22 -3.447 14.829 3.165 1.00 0.00 C ATOM 295 C GLU A 22 -2.986 13.379 3.004 1.00 0.00 C ATOM 296 O GLU A 22 -2.017 13.086 2.286 1.00 0.00 O ATOM 297 CB GLU A 22 -4.867 15.090 2.625 1.00 0.00 C ATOM 298 CG GLU A 22 -4.988 15.111 1.093 1.00 0.00 C ATOM 299 CD GLU A 22 -6.349 15.638 0.632 1.00 0.00 C ATOM 300 OE1 GLU A 22 -7.295 14.823 0.543 1.00 0.00 O ATOM 301 OE2 GLU A 22 -6.427 16.830 0.247 1.00 0.00 O ATOM 0 H GLU A 22 -2.205 15.413 1.602 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.470 15.010 4.240 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.535 14.322 3.016 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.217 16.046 3.015 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.198 15.735 0.676 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.839 14.104 0.704 1.00 0.00 H new ATOM 308 N GLY A 23 -3.631 12.475 3.737 1.00 0.00 N ATOM 309 CA GLY A 23 -3.337 11.057 3.702 1.00 0.00 C ATOM 310 C GLY A 23 -4.162 10.363 2.627 1.00 0.00 C ATOM 311 O GLY A 23 -4.945 10.983 1.905 1.00 0.00 O ATOM 0 H GLY A 23 -4.384 12.718 4.381 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.275 10.905 3.507 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.549 10.612 4.674 1.00 0.00 H new ATOM 315 N PHE A 24 -3.994 9.048 2.526 1.00 0.00 N ATOM 316 CA PHE A 24 -5.133 8.197 2.224 1.00 0.00 C ATOM 317 C PHE A 24 -5.885 8.010 3.552 1.00 0.00 C ATOM 318 O PHE A 24 -5.356 8.360 4.613 1.00 0.00 O ATOM 319 CB PHE A 24 -4.648 6.858 1.674 1.00 0.00 C ATOM 320 CG PHE A 24 -3.807 6.907 0.411 1.00 0.00 C ATOM 321 CD1 PHE A 24 -4.387 7.276 -0.821 1.00 0.00 C ATOM 322 CD2 PHE A 24 -2.453 6.524 0.457 1.00 0.00 C ATOM 323 CE1 PHE A 24 -3.596 7.310 -1.986 1.00 0.00 C ATOM 324 CE2 PHE A 24 -1.673 6.540 -0.711 1.00 0.00 C ATOM 325 CZ PHE A 24 -2.236 6.963 -1.925 1.00 0.00 C ATOM 0 H PHE A 24 -3.105 8.562 2.645 1.00 0.00 H new ATOM 0 HA PHE A 24 -5.784 8.636 1.468 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -4.067 6.361 2.451 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -5.520 6.234 1.479 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.435 7.532 -0.871 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.012 6.217 1.394 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -4.036 7.603 -2.928 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -0.640 6.227 -0.675 1.00 0.00 H new ATOM 0 HZ PHE A 24 -1.624 7.022 -2.813 1.00 0.00 H new ATOM 335 N GLY A 25 -7.084 7.427 3.530 1.00 0.00 N ATOM 336 CA GLY A 25 -7.939 7.350 4.710 1.00 0.00 C ATOM 337 C GLY A 25 -8.446 5.941 4.976 1.00 0.00 C ATOM 338 O GLY A 25 -9.649 5.766 5.127 1.00 0.00 O ATOM 0 H GLY A 25 -7.486 6.997 2.697 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -7.384 7.702 5.579 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -8.789 8.020 4.582 1.00 0.00 H new ATOM 342 N PHE A 26 -7.550 4.956 5.039 1.00 0.00 N ATOM 343 CA PHE A 26 -7.850 3.542 5.232 1.00 0.00 C ATOM 344 C PHE A 26 -6.886 2.919 6.233 1.00 0.00 C ATOM 345 O PHE A 26 -5.688 3.210 6.202 1.00 0.00 O ATOM 346 CB PHE A 26 -7.767 2.805 3.887 1.00 0.00 C ATOM 347 CG PHE A 26 -6.379 2.594 3.284 1.00 0.00 C ATOM 348 CD1 PHE A 26 -5.600 3.698 2.885 1.00 0.00 C ATOM 349 CD2 PHE A 26 -5.918 1.295 2.978 1.00 0.00 C ATOM 350 CE1 PHE A 26 -4.344 3.499 2.280 1.00 0.00 C ATOM 351 CE2 PHE A 26 -4.676 1.106 2.341 1.00 0.00 C ATOM 352 CZ PHE A 26 -3.870 2.209 2.016 1.00 0.00 C ATOM 0 H PHE A 26 -6.549 5.133 4.953 1.00 0.00 H new ATOM 0 HA PHE A 26 -8.861 3.451 5.629 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.233 1.827 4.010 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.368 3.356 3.164 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -5.968 4.701 3.044 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -6.523 0.438 3.235 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -3.738 4.353 2.016 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.342 0.107 2.101 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.898 2.064 1.569 1.00 0.00 H new ATOM 362 N VAL A 27 -7.376 2.017 7.077 1.00 0.00 N ATOM 363 CA VAL A 27 -6.582 1.293 8.060 1.00 0.00 C ATOM 364 C VAL A 27 -6.878 -0.189 7.868 1.00 0.00 C ATOM 365 O VAL A 27 -8.034 -0.578 7.678 1.00 0.00 O ATOM 366 CB VAL A 27 -6.908 1.789 9.481 1.00 0.00 C ATOM 367 CG1 VAL A 27 -6.000 1.138 10.534 1.00 0.00 C ATOM 368 CG2 VAL A 27 -6.750 3.313 9.595 1.00 0.00 C ATOM 0 H VAL A 27 -8.364 1.763 7.096 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.514 1.465 7.923 1.00 0.00 H new ATOM 0 HB VAL A 27 -7.945 1.508 9.667 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -6.262 1.514 11.523 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -6.133 0.056 10.510 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -4.960 1.381 10.317 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -6.988 3.628 10.611 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -5.723 3.591 9.360 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -7.427 3.802 8.895 1.00 0.00 H new ATOM 378 N ILE A 28 -5.833 -1.013 7.897 1.00 0.00 N ATOM 379 CA ILE A 28 -5.853 -2.420 7.561 1.00 0.00 C ATOM 380 C ILE A 28 -5.693 -3.171 8.882 1.00 0.00 C ATOM 381 O ILE A 28 -4.705 -3.000 9.598 1.00 0.00 O ATOM 382 CB ILE A 28 -4.727 -2.729 6.552 1.00 0.00 C ATOM 383 CG1 ILE A 28 -4.796 -1.810 5.306 1.00 0.00 C ATOM 384 CG2 ILE A 28 -4.787 -4.209 6.138 1.00 0.00 C ATOM 385 CD1 ILE A 28 -3.536 -1.899 4.445 1.00 0.00 C ATOM 0 H ILE A 28 -4.904 -0.692 8.171 1.00 0.00 H new ATOM 0 HA ILE A 28 -6.780 -2.727 7.077 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.774 -2.531 7.043 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.663 -2.082 4.705 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -4.942 -0.778 5.627 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -3.989 -4.420 5.426 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -4.663 -4.839 7.019 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.751 -4.419 5.675 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.635 -1.236 3.585 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.670 -1.600 5.036 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.403 -2.924 4.099 1.00 0.00 H new ATOM 397 N ILE A 29 -6.678 -3.989 9.211 1.00 0.00 N ATOM 398 CA ILE A 29 -6.775 -4.777 10.424 1.00 0.00 C ATOM 399 C ILE A 29 -6.617 -6.258 10.063 1.00 0.00 C ATOM 400 O ILE A 29 -6.259 -6.586 8.924 1.00 0.00 O ATOM 401 CB ILE A 29 -8.094 -4.431 11.141 1.00 0.00 C ATOM 402 CG1 ILE A 29 -9.332 -4.923 10.360 1.00 0.00 C ATOM 403 CG2 ILE A 29 -8.151 -2.920 11.427 1.00 0.00 C ATOM 404 CD1 ILE A 29 -10.610 -4.881 11.194 1.00 0.00 C ATOM 0 H ILE A 29 -7.481 -4.128 8.598 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.977 -4.546 11.130 1.00 0.00 H new ATOM 0 HB ILE A 29 -8.115 -4.962 12.092 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -9.463 -4.307 9.470 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -9.159 -5.944 10.019 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -9.086 -2.681 11.934 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -7.311 -2.638 12.062 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -8.097 -2.370 10.488 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -11.448 -5.238 10.595 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -10.494 -5.518 12.070 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -10.803 -3.857 11.513 1.00 0.00 H new ATOM 616 N PRO A 44 -4.815 -12.039 6.635 1.00 0.00 N ATOM 617 CA PRO A 44 -4.004 -11.239 7.550 1.00 0.00 C ATOM 618 C PRO A 44 -4.093 -9.730 7.303 1.00 0.00 C ATOM 619 O PRO A 44 -3.576 -8.970 8.116 1.00 0.00 O ATOM 620 CB PRO A 44 -2.568 -11.729 7.351 1.00 0.00 C ATOM 621 CG PRO A 44 -2.557 -12.219 5.910 1.00 0.00 C ATOM 622 CD PRO A 44 -3.959 -12.787 5.726 1.00 0.00 C ATOM 0 HA PRO A 44 -4.366 -11.370 8.570 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -1.845 -10.928 7.508 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -2.316 -12.528 8.049 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -2.356 -11.408 5.210 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -1.791 -12.977 5.748 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -4.293 -12.676 4.694 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -3.982 -13.852 5.955 1.00 0.00 H new ATOM 630 N HIS A 45 -4.710 -9.282 6.209 1.00 0.00 N ATOM 631 CA HIS A 45 -4.883 -7.878 5.865 1.00 0.00 C ATOM 632 C HIS A 45 -6.282 -7.708 5.296 1.00 0.00 C ATOM 633 O HIS A 45 -6.623 -8.339 4.294 1.00 0.00 O ATOM 634 CB HIS A 45 -3.870 -7.446 4.797 1.00 0.00 C ATOM 635 CG HIS A 45 -2.511 -7.037 5.296 1.00 0.00 C ATOM 636 ND1 HIS A 45 -1.788 -7.567 6.345 1.00 0.00 N ATOM 637 CD2 HIS A 45 -1.766 -6.034 4.746 1.00 0.00 C ATOM 638 CE1 HIS A 45 -0.607 -6.926 6.382 1.00 0.00 C ATOM 639 NE2 HIS A 45 -0.560 -5.968 5.441 1.00 0.00 N ATOM 0 H HIS A 45 -5.116 -9.912 5.517 1.00 0.00 H new ATOM 0 HA HIS A 45 -4.732 -7.268 6.756 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -3.743 -8.268 4.093 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -4.295 -6.612 4.239 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -2.093 -8.308 6.976 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -2.059 -5.404 3.919 1.00 0.00 H new ATOM 0 HE1 HIS A 45 0.193 -7.150 7.072 1.00 0.00 H new ATOM 647 N LYS A 46 -7.084 -6.841 5.907 1.00 0.00 N ATOM 648 CA LYS A 46 -8.355 -6.370 5.362 1.00 0.00 C ATOM 649 C LYS A 46 -8.629 -4.971 5.897 1.00 0.00 C ATOM 650 O LYS A 46 -8.171 -4.652 6.988 1.00 0.00 O ATOM 651 CB LYS A 46 -9.503 -7.317 5.749 1.00 0.00 C ATOM 652 CG LYS A 46 -9.453 -7.717 7.233 1.00 0.00 C ATOM 653 CD LYS A 46 -10.823 -8.044 7.811 1.00 0.00 C ATOM 654 CE LYS A 46 -11.589 -6.749 8.088 1.00 0.00 C ATOM 655 NZ LYS A 46 -12.825 -7.017 8.836 1.00 0.00 N ATOM 0 H LYS A 46 -6.864 -6.436 6.817 1.00 0.00 H new ATOM 0 HA LYS A 46 -8.292 -6.348 4.274 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -10.457 -6.834 5.537 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -9.455 -8.214 5.131 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.801 -8.583 7.348 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -9.008 -6.904 7.807 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -11.383 -8.667 7.114 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -10.712 -8.616 8.732 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -10.959 -6.064 8.654 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.830 -6.256 7.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -13.326 -6.122 9.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -13.435 -7.653 8.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -12.591 -7.466 9.744 1.00 0.00 H new ATOM 669 N ILE A 47 -9.396 -4.145 5.190 1.00 0.00 N ATOM 670 CA ILE A 47 -9.766 -2.820 5.698 1.00 0.00 C ATOM 671 C ILE A 47 -10.598 -2.974 6.986 1.00 0.00 C ATOM 672 O ILE A 47 -11.410 -3.900 7.073 1.00 0.00 O ATOM 673 CB ILE A 47 -10.537 -2.038 4.616 1.00 0.00 C ATOM 674 CG1 ILE A 47 -9.871 -2.008 3.228 1.00 0.00 C ATOM 675 CG2 ILE A 47 -10.830 -0.595 5.062 1.00 0.00 C ATOM 676 CD1 ILE A 47 -8.500 -1.344 3.188 1.00 0.00 C ATOM 0 H ILE A 47 -9.773 -4.365 4.268 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.867 -2.254 5.941 1.00 0.00 H new ATOM 0 HB ILE A 47 -11.464 -2.600 4.503 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -9.774 -3.031 2.866 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -10.532 -1.486 2.535 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -11.374 -0.074 4.274 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -11.432 -0.610 5.970 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -9.891 -0.077 5.258 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -8.112 -1.371 2.170 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -8.588 -0.308 3.515 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -7.818 -1.877 3.851 1.00 0.00 H new ATOM 688 N GLY A 48 -10.431 -2.062 7.951 1.00 0.00 N ATOM 689 CA GLY A 48 -11.130 -2.020 9.237 1.00 0.00 C ATOM 690 C GLY A 48 -11.772 -0.666 9.528 1.00 0.00 C ATOM 691 O GLY A 48 -12.969 -0.597 9.824 1.00 0.00 O ATOM 0 H GLY A 48 -9.769 -1.293 7.848 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.901 -2.791 9.250 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -10.426 -2.260 10.034 1.00 0.00 H new ATOM 695 N ARG A 49 -11.007 0.422 9.399 1.00 0.00 N ATOM 696 CA ARG A 49 -11.521 1.788 9.476 1.00 0.00 C ATOM 697 C ARG A 49 -11.215 2.461 8.158 1.00 0.00 C ATOM 698 O ARG A 49 -10.119 2.309 7.620 1.00 0.00 O ATOM 699 CB ARG A 49 -10.923 2.553 10.686 1.00 0.00 C ATOM 700 CG ARG A 49 -11.318 4.047 10.691 1.00 0.00 C ATOM 701 CD ARG A 49 -11.213 4.772 12.049 1.00 0.00 C ATOM 702 NE ARG A 49 -12.533 5.225 12.539 1.00 0.00 N ATOM 703 CZ ARG A 49 -12.835 5.596 13.791 1.00 0.00 C ATOM 704 NH1 ARG A 49 -11.874 5.829 14.680 1.00 0.00 N ATOM 705 NH2 ARG A 49 -14.104 5.719 14.157 1.00 0.00 N ATOM 0 H ARG A 49 -10.001 0.376 9.236 1.00 0.00 H new ATOM 0 HA ARG A 49 -12.598 1.784 9.642 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -11.263 2.087 11.611 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.837 2.467 10.666 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -10.688 4.571 9.973 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -12.345 4.132 10.335 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -10.764 4.103 12.783 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.548 5.630 11.951 1.00 0.00 H new ATOM 0 HE ARG A 49 -13.289 5.258 11.855 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -10.895 5.726 14.412 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -12.116 6.111 15.630 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -14.849 5.531 13.486 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -14.335 6.001 15.110 1.00 0.00 H new ATOM 719 N ILE A 50 -12.180 3.239 7.696 1.00 0.00 N ATOM 720 CA ILE A 50 -12.010 4.291 6.723 1.00 0.00 C ATOM 721 C ILE A 50 -12.461 5.573 7.422 1.00 0.00 C ATOM 722 O ILE A 50 -13.295 5.526 8.333 1.00 0.00 O ATOM 723 CB ILE A 50 -12.813 3.918 5.462 1.00 0.00 C ATOM 724 CG1 ILE A 50 -11.956 2.964 4.603 1.00 0.00 C ATOM 725 CG2 ILE A 50 -13.277 5.131 4.642 1.00 0.00 C ATOM 726 CD1 ILE A 50 -12.746 2.394 3.416 1.00 0.00 C ATOM 0 H ILE A 50 -13.147 3.145 8.008 1.00 0.00 H new ATOM 0 HA ILE A 50 -10.986 4.436 6.380 1.00 0.00 H new ATOM 0 HB ILE A 50 -13.731 3.427 5.785 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -11.080 3.497 4.233 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -11.592 2.145 5.224 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -13.835 4.789 3.771 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -13.917 5.763 5.258 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -12.409 5.703 4.315 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -12.105 1.728 2.838 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -13.608 1.838 3.786 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -13.087 3.211 2.780 1.00 0.00 H new ATOM 738 N ILE A 51 -11.857 6.691 7.027 1.00 0.00 N ATOM 739 CA ILE A 51 -12.132 8.029 7.492 1.00 0.00 C ATOM 740 C ILE A 51 -13.254 8.611 6.629 1.00 0.00 C ATOM 741 O ILE A 51 -13.157 8.614 5.397 1.00 0.00 O ATOM 742 CB ILE A 51 -10.807 8.816 7.385 1.00 0.00 C ATOM 743 CG1 ILE A 51 -9.818 8.406 8.495 1.00 0.00 C ATOM 744 CG2 ILE A 51 -11.002 10.329 7.512 1.00 0.00 C ATOM 745 CD1 ILE A 51 -9.131 7.052 8.358 1.00 0.00 C ATOM 0 H ILE A 51 -11.115 6.674 6.327 1.00 0.00 H new ATOM 0 HA ILE A 51 -12.473 8.070 8.526 1.00 0.00 H new ATOM 0 HB ILE A 51 -10.417 8.574 6.396 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -9.044 9.171 8.556 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -10.354 8.417 9.444 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -10.037 10.828 7.429 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -11.661 10.679 6.717 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -11.447 10.558 8.480 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -8.465 6.894 9.206 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -9.883 6.263 8.336 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -8.553 7.029 7.434 1.00 0.00 H new ATOM 757 N ASP A 52 -14.287 9.152 7.269 1.00 0.00 N ATOM 758 CA ASP A 52 -15.299 9.976 6.618 1.00 0.00 C ATOM 759 C ASP A 52 -14.633 11.219 6.031 1.00 0.00 C ATOM 760 O ASP A 52 -13.944 11.947 6.751 1.00 0.00 O ATOM 761 CB ASP A 52 -16.376 10.368 7.636 1.00 0.00 C ATOM 762 CG ASP A 52 -17.352 11.406 7.076 1.00 0.00 C ATOM 763 OD1 ASP A 52 -17.857 11.223 5.945 1.00 0.00 O ATOM 764 OD2 ASP A 52 -17.643 12.391 7.796 1.00 0.00 O ATOM 0 H ASP A 52 -14.446 9.028 8.269 1.00 0.00 H new ATOM 0 HA ASP A 52 -15.773 9.416 5.812 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -16.929 9.478 7.938 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -15.899 10.766 8.531 1.00 0.00 H new ATOM 769 N GLY A 53 -14.805 11.459 4.731 1.00 0.00 N ATOM 770 CA GLY A 53 -14.242 12.625 4.071 1.00 0.00 C ATOM 771 C GLY A 53 -12.895 12.340 3.418 1.00 0.00 C ATOM 772 O GLY A 53 -12.165 13.300 3.165 1.00 0.00 O ATOM 0 H GLY A 53 -15.338 10.849 4.112 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -14.940 12.981 3.313 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -14.125 13.428 4.799 1.00 0.00 H new ATOM 776 N SER A 54 -12.540 11.067 3.188 1.00 0.00 N ATOM 777 CA SER A 54 -11.273 10.681 2.574 1.00 0.00 C ATOM 778 C SER A 54 -11.428 10.195 1.131 1.00 0.00 C ATOM 779 O SER A 54 -12.513 9.748 0.724 1.00 0.00 O ATOM 780 CB SER A 54 -10.598 9.583 3.404 1.00 0.00 C ATOM 781 OG SER A 54 -11.374 8.399 3.488 1.00 0.00 O ATOM 0 H SER A 54 -13.134 10.273 3.427 1.00 0.00 H new ATOM 0 HA SER A 54 -10.656 11.579 2.552 1.00 0.00 H new ATOM 0 HB2 SER A 54 -9.629 9.346 2.964 1.00 0.00 H new ATOM 0 HB3 SER A 54 -10.408 9.959 4.409 1.00 0.00 H new ATOM 0 HG SER A 54 -12.233 8.600 3.914 1.00 0.00 H new ATOM 787 N PRO A 55 -10.304 10.143 0.387 1.00 0.00 N ATOM 788 CA PRO A 55 -10.247 9.497 -0.909 1.00 0.00 C ATOM 789 C PRO A 55 -10.506 7.989 -0.836 1.00 0.00 C ATOM 790 O PRO A 55 -10.927 7.429 -1.846 1.00 0.00 O ATOM 791 CB PRO A 55 -8.854 9.782 -1.478 1.00 0.00 C ATOM 792 CG PRO A 55 -8.014 10.295 -0.311 1.00 0.00 C ATOM 793 CD PRO A 55 -9.038 10.797 0.705 1.00 0.00 C ATOM 0 HA PRO A 55 -11.035 9.893 -1.550 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.416 8.880 -1.906 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -8.904 10.522 -2.277 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -7.393 9.504 0.109 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.343 11.094 -0.626 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.724 10.558 1.721 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -9.138 11.881 0.649 1.00 0.00 H new ATOM 801 N ALA A 56 -10.259 7.312 0.300 1.00 0.00 N ATOM 802 CA ALA A 56 -10.617 5.904 0.438 1.00 0.00 C ATOM 803 C ALA A 56 -12.118 5.729 0.240 1.00 0.00 C ATOM 804 O ALA A 56 -12.526 4.984 -0.642 1.00 0.00 O ATOM 805 CB ALA A 56 -10.181 5.334 1.792 1.00 0.00 C ATOM 0 H ALA A 56 -9.817 7.720 1.124 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.085 5.345 -0.332 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -10.467 4.284 1.854 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.099 5.422 1.893 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -10.667 5.890 2.594 1.00 0.00 H new ATOM 811 N ASP A 57 -12.920 6.446 1.027 1.00 0.00 N ATOM 812 CA ASP A 57 -14.371 6.315 1.023 1.00 0.00 C ATOM 813 C ASP A 57 -14.988 6.709 -0.323 1.00 0.00 C ATOM 814 O ASP A 57 -15.923 6.056 -0.785 1.00 0.00 O ATOM 815 CB ASP A 57 -14.937 7.199 2.128 1.00 0.00 C ATOM 816 CG ASP A 57 -16.459 7.104 2.196 1.00 0.00 C ATOM 817 OD1 ASP A 57 -16.996 5.988 2.344 1.00 0.00 O ATOM 818 OD2 ASP A 57 -17.117 8.168 2.268 1.00 0.00 O ATOM 0 H ASP A 57 -12.574 7.140 1.690 1.00 0.00 H new ATOM 0 HA ASP A 57 -14.622 5.268 1.193 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -14.510 6.904 3.086 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -14.643 8.234 1.954 1.00 0.00 H new ATOM 823 N ARG A 58 -14.453 7.743 -0.991 1.00 0.00 N ATOM 824 CA ARG A 58 -14.906 8.064 -2.351 1.00 0.00 C ATOM 825 C ARG A 58 -14.560 6.970 -3.363 1.00 0.00 C ATOM 826 O ARG A 58 -15.244 6.831 -4.380 1.00 0.00 O ATOM 827 CB ARG A 58 -14.423 9.449 -2.811 1.00 0.00 C ATOM 828 CG ARG A 58 -15.303 10.565 -2.214 1.00 0.00 C ATOM 829 CD ARG A 58 -15.481 11.746 -3.179 1.00 0.00 C ATOM 830 NE ARG A 58 -16.650 12.566 -2.810 1.00 0.00 N ATOM 831 CZ ARG A 58 -17.478 13.161 -3.681 1.00 0.00 C ATOM 832 NH1 ARG A 58 -17.118 13.345 -4.948 1.00 0.00 N ATOM 833 NH2 ARG A 58 -18.682 13.557 -3.286 1.00 0.00 N ATOM 0 H ARG A 58 -13.725 8.356 -0.623 1.00 0.00 H new ATOM 0 HA ARG A 58 -15.994 8.106 -2.306 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -13.386 9.596 -2.508 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -14.447 9.504 -3.899 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -16.281 10.156 -1.959 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -14.855 10.921 -1.286 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -14.583 12.364 -3.171 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -15.602 11.373 -4.196 1.00 0.00 H new ATOM 0 HE ARG A 58 -16.843 12.690 -1.816 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -16.202 13.032 -5.268 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -17.758 13.799 -5.599 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -18.976 13.409 -2.321 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -19.313 14.010 -3.948 1.00 0.00 H new ATOM 847 N CYS A 59 -13.557 6.134 -3.102 1.00 0.00 N ATOM 848 CA CYS A 59 -13.214 4.992 -3.941 1.00 0.00 C ATOM 849 C CYS A 59 -13.917 3.722 -3.447 1.00 0.00 C ATOM 850 O CYS A 59 -13.277 2.676 -3.342 1.00 0.00 O ATOM 851 CB CYS A 59 -11.690 4.827 -3.992 1.00 0.00 C ATOM 852 SG CYS A 59 -10.954 6.289 -4.771 1.00 0.00 S ATOM 0 H CYS A 59 -12.951 6.234 -2.288 1.00 0.00 H new ATOM 0 HA CYS A 59 -13.566 5.171 -4.957 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -11.293 4.699 -2.985 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -11.428 3.931 -4.554 1.00 0.00 H new ATOM 0 HG CYS A 59 -10.698 7.182 -3.862 1.00 0.00 H new ATOM 858 N ALA A 60 -15.239 3.783 -3.228 1.00 0.00 N ATOM 859 CA ALA A 60 -16.100 2.713 -2.703 1.00 0.00 C ATOM 860 C ALA A 60 -16.141 1.401 -3.521 1.00 0.00 C ATOM 861 O ALA A 60 -16.938 0.515 -3.218 1.00 0.00 O ATOM 862 CB ALA A 60 -17.515 3.268 -2.516 1.00 0.00 C ATOM 0 H ALA A 60 -15.768 4.633 -3.425 1.00 0.00 H new ATOM 0 HA ALA A 60 -15.648 2.414 -1.757 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -18.165 2.484 -2.127 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -17.489 4.101 -1.813 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -17.899 3.615 -3.475 1.00 0.00 H new ATOM 868 N LYS A 61 -15.277 1.233 -4.529 1.00 0.00 N ATOM 869 CA LYS A 61 -14.852 -0.093 -4.987 1.00 0.00 C ATOM 870 C LYS A 61 -14.120 -0.864 -3.878 1.00 0.00 C ATOM 871 O LYS A 61 -13.926 -2.071 -4.025 1.00 0.00 O ATOM 872 CB LYS A 61 -13.926 0.020 -6.212 1.00 0.00 C ATOM 873 CG LYS A 61 -14.578 0.725 -7.412 1.00 0.00 C ATOM 874 CD LYS A 61 -13.943 0.340 -8.748 1.00 0.00 C ATOM 875 CE LYS A 61 -12.465 0.711 -8.900 1.00 0.00 C ATOM 876 NZ LYS A 61 -11.877 0.052 -10.084 1.00 0.00 N ATOM 0 H LYS A 61 -14.857 2.005 -5.046 1.00 0.00 H new ATOM 0 HA LYS A 61 -15.755 -0.639 -5.261 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -13.025 0.564 -5.927 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -13.613 -0.979 -6.514 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -15.640 0.481 -7.437 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -14.502 1.804 -7.278 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -14.046 -0.737 -8.884 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -14.505 0.818 -9.550 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -12.365 1.792 -8.993 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -11.918 0.416 -8.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -10.875 0.318 -10.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -11.954 -0.980 -9.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -12.387 0.354 -10.938 1.00 0.00 H new ATOM 890 N LEU A 62 -13.679 -0.176 -2.823 1.00 0.00 N ATOM 891 CA LEU A 62 -13.062 -0.705 -1.622 1.00 0.00 C ATOM 892 C LEU A 62 -13.994 -0.393 -0.457 1.00 0.00 C ATOM 893 O LEU A 62 -14.439 0.751 -0.359 1.00 0.00 O ATOM 894 CB LEU A 62 -11.735 0.047 -1.366 1.00 0.00 C ATOM 895 CG LEU A 62 -10.476 -0.821 -1.261 1.00 0.00 C ATOM 896 CD1 LEU A 62 -9.302 0.072 -0.821 1.00 0.00 C ATOM 897 CD2 LEU A 62 -10.695 -1.988 -0.302 1.00 0.00 C ATOM 0 H LEU A 62 -13.753 0.841 -2.791 1.00 0.00 H new ATOM 0 HA LEU A 62 -12.881 -1.775 -1.725 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -11.589 0.768 -2.171 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -11.837 0.617 -0.442 1.00 0.00 H new ATOM 0 HG LEU A 62 -10.244 -1.259 -2.232 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.397 -0.530 -0.741 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -9.149 0.861 -1.557 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -9.527 0.518 0.148 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.787 -2.588 -0.246 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -10.938 -1.604 0.689 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -11.517 -2.607 -0.663 1.00 0.00 H new ATOM 909 N LYS A 63 -14.215 -1.325 0.472 1.00 0.00 N ATOM 910 CA LYS A 63 -14.961 -1.062 1.705 1.00 0.00 C ATOM 911 C LYS A 63 -14.272 -1.688 2.907 1.00 0.00 C ATOM 912 O LYS A 63 -13.398 -2.549 2.781 1.00 0.00 O ATOM 913 CB LYS A 63 -16.393 -1.600 1.557 1.00 0.00 C ATOM 914 CG LYS A 63 -17.249 -0.667 0.692 1.00 0.00 C ATOM 915 CD LYS A 63 -18.519 -1.378 0.244 1.00 0.00 C ATOM 916 CE LYS A 63 -19.401 -0.444 -0.585 1.00 0.00 C ATOM 917 NZ LYS A 63 -20.479 -1.201 -1.251 1.00 0.00 N ATOM 0 H LYS A 63 -13.881 -2.285 0.391 1.00 0.00 H new ATOM 0 HA LYS A 63 -14.996 0.014 1.873 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -16.367 -2.593 1.109 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -16.848 -1.706 2.542 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -17.506 0.229 1.257 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -16.679 -0.343 -0.179 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -18.260 -2.258 -0.344 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -19.072 -1.729 1.116 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -19.832 0.323 0.058 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -18.795 0.069 -1.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -21.067 -0.550 -1.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -20.063 -1.917 -1.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -21.068 -1.671 -0.534 1.00 0.00 H new ATOM 931 N VAL A 64 -14.697 -1.283 4.103 1.00 0.00 N ATOM 932 CA VAL A 64 -14.328 -1.932 5.354 1.00 0.00 C ATOM 933 C VAL A 64 -14.715 -3.409 5.255 1.00 0.00 C ATOM 934 O VAL A 64 -15.904 -3.736 5.216 1.00 0.00 O ATOM 935 CB VAL A 64 -14.983 -1.203 6.544 1.00 0.00 C ATOM 936 CG1 VAL A 64 -14.948 -2.054 7.821 1.00 0.00 C ATOM 937 CG2 VAL A 64 -14.279 0.136 6.820 1.00 0.00 C ATOM 0 H VAL A 64 -15.317 -0.483 4.229 1.00 0.00 H new ATOM 0 HA VAL A 64 -13.253 -1.878 5.529 1.00 0.00 H new ATOM 0 HB VAL A 64 -16.022 -1.023 6.269 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -15.419 -1.506 8.637 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -15.487 -2.986 7.652 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -13.913 -2.275 8.082 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -14.759 0.632 7.664 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -13.230 -0.046 7.054 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -14.348 0.772 5.938 1.00 0.00 H new ATOM 947 N GLY A 65 -13.726 -4.304 5.225 1.00 0.00 N ATOM 948 CA GLY A 65 -13.905 -5.733 5.176 1.00 0.00 C ATOM 949 C GLY A 65 -13.057 -6.311 4.061 1.00 0.00 C ATOM 950 O GLY A 65 -12.745 -7.501 4.123 1.00 0.00 O ATOM 0 H GLY A 65 -12.744 -4.029 5.235 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -13.623 -6.178 6.130 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -14.955 -5.973 5.010 1.00 0.00 H new ATOM 954 N ASP A 66 -12.671 -5.484 3.081 1.00 0.00 N ATOM 955 CA ASP A 66 -11.961 -5.944 1.905 1.00 0.00 C ATOM 956 C ASP A 66 -10.548 -6.352 2.257 1.00 0.00 C ATOM 957 O ASP A 66 -9.671 -5.541 2.557 1.00 0.00 O ATOM 958 CB ASP A 66 -11.982 -4.947 0.746 1.00 0.00 C ATOM 959 CG ASP A 66 -13.244 -5.132 -0.089 1.00 0.00 C ATOM 960 OD1 ASP A 66 -13.520 -6.294 -0.486 1.00 0.00 O ATOM 961 OD2 ASP A 66 -13.985 -4.139 -0.257 1.00 0.00 O ATOM 0 H ASP A 66 -12.847 -4.479 3.091 1.00 0.00 H new ATOM 0 HA ASP A 66 -12.500 -6.821 1.546 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -11.940 -3.929 1.133 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -11.100 -5.087 0.121 1.00 0.00 H new ATOM 966 N ARG A 67 -10.402 -7.665 2.254 1.00 0.00 N ATOM 967 CA ARG A 67 -9.203 -8.473 2.075 1.00 0.00 C ATOM 968 C ARG A 67 -8.264 -7.852 1.039 1.00 0.00 C ATOM 969 O ARG A 67 -8.718 -7.277 0.048 1.00 0.00 O ATOM 970 CB ARG A 67 -9.649 -9.875 1.623 1.00 0.00 C ATOM 971 CG ARG A 67 -10.639 -10.514 2.613 1.00 0.00 C ATOM 972 CD ARG A 67 -11.225 -11.812 2.069 1.00 0.00 C ATOM 973 NE ARG A 67 -12.471 -11.600 1.308 1.00 0.00 N ATOM 974 CZ ARG A 67 -13.386 -12.560 1.105 1.00 0.00 C ATOM 975 NH1 ARG A 67 -13.181 -13.798 1.533 1.00 0.00 N ATOM 976 NH2 ARG A 67 -14.512 -12.306 0.455 1.00 0.00 N ATOM 0 H ARG A 67 -11.216 -8.263 2.393 1.00 0.00 H new ATOM 0 HA ARG A 67 -8.651 -8.528 3.013 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -10.113 -9.808 0.639 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -8.775 -10.517 1.520 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -10.132 -10.712 3.557 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -11.445 -9.812 2.825 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -10.490 -12.296 1.426 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -11.422 -12.492 2.898 1.00 0.00 H new ATOM 0 HE ARG A 67 -12.646 -10.675 0.916 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -12.318 -14.031 2.024 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -13.886 -14.517 1.371 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -14.695 -11.368 0.099 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -15.196 -13.049 0.310 1.00 0.00 H new ATOM 990 N ILE A 68 -6.955 -7.961 1.267 1.00 0.00 N ATOM 991 CA ILE A 68 -5.925 -7.333 0.446 1.00 0.00 C ATOM 992 C ILE A 68 -4.882 -8.401 0.151 1.00 0.00 C ATOM 993 O ILE A 68 -4.436 -9.100 1.064 1.00 0.00 O ATOM 994 CB ILE A 68 -5.318 -6.103 1.159 1.00 0.00 C ATOM 995 CG1 ILE A 68 -6.430 -5.187 1.713 1.00 0.00 C ATOM 996 CG2 ILE A 68 -4.392 -5.333 0.197 1.00 0.00 C ATOM 997 CD1 ILE A 68 -5.933 -3.947 2.453 1.00 0.00 C ATOM 0 H ILE A 68 -6.575 -8.500 2.045 1.00 0.00 H new ATOM 0 HA ILE A 68 -6.343 -6.955 -0.487 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.722 -6.449 2.004 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -7.064 -4.869 0.886 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -7.057 -5.769 2.389 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.971 -4.469 0.711 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.585 -5.987 -0.133 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.964 -4.997 -0.668 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -6.786 -3.367 2.805 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -5.325 -4.251 3.305 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -5.333 -3.337 1.778 1.00 0.00 H new ATOM 1009 N LEU A 69 -4.524 -8.552 -1.127 1.00 0.00 N ATOM 1010 CA LEU A 69 -3.531 -9.517 -1.584 1.00 0.00 C ATOM 1011 C LEU A 69 -2.145 -8.902 -1.692 1.00 0.00 C ATOM 1012 O LEU A 69 -1.163 -9.587 -1.405 1.00 0.00 O ATOM 1013 CB LEU A 69 -3.912 -10.063 -2.971 1.00 0.00 C ATOM 1014 CG LEU A 69 -4.486 -11.482 -2.905 1.00 0.00 C ATOM 1015 CD1 LEU A 69 -5.065 -11.811 -4.274 1.00 0.00 C ATOM 1016 CD2 LEU A 69 -3.431 -12.531 -2.541 1.00 0.00 C ATOM 0 H LEU A 69 -4.925 -7.996 -1.882 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.512 -10.316 -0.843 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -4.644 -9.399 -3.431 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.032 -10.060 -3.614 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.244 -11.510 -2.123 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.483 -12.818 -4.260 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.850 -11.096 -4.518 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.277 -11.756 -5.025 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.894 -13.517 -2.509 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.639 -12.526 -3.290 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.007 -12.297 -1.564 1.00 0.00 H new ATOM 1028 N ALA A 70 -2.055 -7.664 -2.180 1.00 0.00 N ATOM 1029 CA ALA A 70 -0.807 -7.028 -2.569 1.00 0.00 C ATOM 1030 C ALA A 70 -0.971 -5.507 -2.541 1.00 0.00 C ATOM 1031 O ALA A 70 -2.098 -5.006 -2.456 1.00 0.00 O ATOM 1032 CB ALA A 70 -0.442 -7.507 -3.982 1.00 0.00 C ATOM 0 H ALA A 70 -2.870 -7.066 -2.317 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.010 -7.296 -1.875 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.493 -7.041 -4.294 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.324 -8.591 -3.980 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.235 -7.230 -4.676 1.00 0.00 H new ATOM 1038 N VAL A 71 0.153 -4.798 -2.653 1.00 0.00 N ATOM 1039 CA VAL A 71 0.209 -3.351 -2.878 1.00 0.00 C ATOM 1040 C VAL A 71 1.152 -3.143 -4.065 1.00 0.00 C ATOM 1041 O VAL A 71 2.243 -3.705 -4.054 1.00 0.00 O ATOM 1042 CB VAL A 71 0.679 -2.600 -1.612 1.00 0.00 C ATOM 1043 CG1 VAL A 71 0.709 -1.080 -1.842 1.00 0.00 C ATOM 1044 CG2 VAL A 71 -0.237 -2.847 -0.403 1.00 0.00 C ATOM 0 H VAL A 71 1.077 -5.226 -2.588 1.00 0.00 H new ATOM 0 HA VAL A 71 -0.777 -2.942 -3.098 1.00 0.00 H new ATOM 0 HB VAL A 71 1.677 -2.987 -1.406 1.00 0.00 H new ATOM 0 HG11 VAL A 71 1.044 -0.581 -0.933 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.395 -0.849 -2.657 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -0.291 -0.731 -2.100 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.140 -2.295 0.458 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.247 -2.509 -0.636 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.255 -3.912 -0.172 1.00 0.00 H new ATOM 1054 N ASN A 72 0.730 -2.418 -5.112 1.00 0.00 N ATOM 1055 CA ASN A 72 1.387 -2.390 -6.430 1.00 0.00 C ATOM 1056 C ASN A 72 1.796 -3.794 -6.905 1.00 0.00 C ATOM 1057 O ASN A 72 2.829 -3.989 -7.548 1.00 0.00 O ATOM 1058 CB ASN A 72 2.531 -1.357 -6.469 1.00 0.00 C ATOM 1059 CG ASN A 72 2.006 0.024 -6.815 1.00 0.00 C ATOM 1060 OD1 ASN A 72 1.661 0.292 -7.963 1.00 0.00 O ATOM 1061 ND2 ASN A 72 1.873 0.922 -5.859 1.00 0.00 N ATOM 0 H ASN A 72 -0.096 -1.821 -5.066 1.00 0.00 H new ATOM 0 HA ASN A 72 0.654 -2.048 -7.161 1.00 0.00 H new ATOM 0 HB2 ASN A 72 3.032 -1.327 -5.501 1.00 0.00 H new ATOM 0 HB3 ASN A 72 3.276 -1.662 -7.204 1.00 0.00 H new ATOM 0 HD21 ASN A 72 1.483 1.840 -6.072 1.00 0.00 H new ATOM 0 HD22 ASN A 72 2.160 0.699 -4.906 1.00 0.00 H new ATOM 1068 N GLY A 73 0.990 -4.808 -6.578 1.00 0.00 N ATOM 1069 CA GLY A 73 1.227 -6.190 -6.967 1.00 0.00 C ATOM 1070 C GLY A 73 2.376 -6.849 -6.197 1.00 0.00 C ATOM 1071 O GLY A 73 2.585 -8.050 -6.373 1.00 0.00 O ATOM 0 H GLY A 73 0.141 -4.683 -6.026 1.00 0.00 H new ATOM 0 HA2 GLY A 73 0.315 -6.766 -6.808 1.00 0.00 H new ATOM 0 HA3 GLY A 73 1.446 -6.227 -8.034 1.00 0.00 H new ATOM 1075 N GLN A 74 3.088 -6.124 -5.329 1.00 0.00 N ATOM 1076 CA GLN A 74 4.118 -6.627 -4.454 1.00 0.00 C ATOM 1077 C GLN A 74 3.420 -7.384 -3.331 1.00 0.00 C ATOM 1078 O GLN A 74 2.412 -6.915 -2.791 1.00 0.00 O ATOM 1079 CB GLN A 74 4.877 -5.421 -3.885 1.00 0.00 C ATOM 1080 CG GLN A 74 6.200 -5.820 -3.239 1.00 0.00 C ATOM 1081 CD GLN A 74 7.369 -5.625 -4.197 1.00 0.00 C ATOM 1082 OE1 GLN A 74 7.810 -4.508 -4.449 1.00 0.00 O ATOM 1083 NE2 GLN A 74 7.877 -6.695 -4.775 1.00 0.00 N ATOM 0 H GLN A 74 2.944 -5.120 -5.223 1.00 0.00 H new ATOM 0 HA GLN A 74 4.817 -7.285 -4.971 1.00 0.00 H new ATOM 0 HB2 GLN A 74 5.067 -4.705 -4.684 1.00 0.00 H new ATOM 0 HB3 GLN A 74 4.253 -4.917 -3.147 1.00 0.00 H new ATOM 0 HG2 GLN A 74 6.361 -5.225 -2.340 1.00 0.00 H new ATOM 0 HG3 GLN A 74 6.154 -6.863 -2.927 1.00 0.00 H new ATOM 0 HE21 GLN A 74 7.502 -7.618 -4.558 1.00 0.00 H new ATOM 0 HE22 GLN A 74 8.645 -6.600 -5.440 1.00 0.00 H new ATOM 1092 N SER A 75 3.922 -8.568 -3.000 1.00 0.00 N ATOM 1093 CA SER A 75 3.293 -9.414 -2.006 1.00 0.00 C ATOM 1094 C SER A 75 3.503 -8.841 -0.609 1.00 0.00 C ATOM 1095 O SER A 75 4.620 -8.458 -0.261 1.00 0.00 O ATOM 1096 CB SER A 75 3.904 -10.811 -2.104 1.00 0.00 C ATOM 1097 OG SER A 75 3.772 -11.285 -3.429 1.00 0.00 O ATOM 0 H SER A 75 4.768 -8.961 -3.411 1.00 0.00 H new ATOM 0 HA SER A 75 2.220 -9.464 -2.190 1.00 0.00 H new ATOM 0 HB2 SER A 75 4.956 -10.782 -1.819 1.00 0.00 H new ATOM 0 HB3 SER A 75 3.405 -11.489 -1.411 1.00 0.00 H new ATOM 0 HG SER A 75 4.164 -12.180 -3.497 1.00 0.00 H new ATOM 1103 N ILE A 76 2.448 -8.854 0.203 1.00 0.00 N ATOM 1104 CA ILE A 76 2.398 -8.284 1.544 1.00 0.00 C ATOM 1105 C ILE A 76 2.180 -9.359 2.621 1.00 0.00 C ATOM 1106 O ILE A 76 2.322 -9.062 3.804 1.00 0.00 O ATOM 1107 CB ILE A 76 1.360 -7.140 1.601 1.00 0.00 C ATOM 1108 CG1 ILE A 76 -0.078 -7.662 1.384 1.00 0.00 C ATOM 1109 CG2 ILE A 76 1.738 -6.032 0.598 1.00 0.00 C ATOM 1110 CD1 ILE A 76 -1.142 -6.566 1.324 1.00 0.00 C ATOM 0 H ILE A 76 1.564 -9.283 -0.071 1.00 0.00 H new ATOM 0 HA ILE A 76 3.370 -7.847 1.772 1.00 0.00 H new ATOM 0 HB ILE A 76 1.377 -6.706 2.601 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.109 -8.233 0.456 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.328 -8.351 2.191 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.001 -5.231 0.646 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.722 -5.635 0.848 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.759 -6.446 -0.410 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.122 -7.018 1.170 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -1.143 -6.008 2.261 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.921 -5.889 0.499 1.00 0.00 H new ATOM 1122 N ILE A 77 1.897 -10.612 2.236 1.00 0.00 N ATOM 1123 CA ILE A 77 1.815 -11.747 3.155 1.00 0.00 C ATOM 1124 C ILE A 77 3.106 -11.860 3.981 1.00 0.00 C ATOM 1125 O ILE A 77 3.040 -11.950 5.205 1.00 0.00 O ATOM 1126 CB ILE A 77 1.502 -13.031 2.346 1.00 0.00 C ATOM 1127 CG1 ILE A 77 0.030 -13.088 1.881 1.00 0.00 C ATOM 1128 CG2 ILE A 77 1.879 -14.330 3.076 1.00 0.00 C ATOM 1129 CD1 ILE A 77 -0.987 -13.393 2.986 1.00 0.00 C ATOM 0 H ILE A 77 1.717 -10.864 1.264 1.00 0.00 H new ATOM 0 HA ILE A 77 1.005 -11.600 3.870 1.00 0.00 H new ATOM 0 HB ILE A 77 2.141 -12.963 1.466 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.228 -12.133 1.424 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.061 -13.848 1.105 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.631 -15.186 2.448 1.00 0.00 H new ATOM 0 HG22 ILE A 77 2.949 -14.332 3.286 1.00 0.00 H new ATOM 0 HG23 ILE A 77 1.326 -14.395 4.013 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.991 -13.412 2.562 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.762 -14.363 3.430 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -0.932 -12.621 3.754 1.00 0.00 H new ATOM 1141 N ASN A 78 4.268 -11.893 3.320 1.00 0.00 N ATOM 1142 CA ASN A 78 5.541 -12.129 4.000 1.00 0.00 C ATOM 1143 C ASN A 78 6.177 -10.825 4.477 1.00 0.00 C ATOM 1144 O ASN A 78 7.018 -10.840 5.380 1.00 0.00 O ATOM 1145 CB ASN A 78 6.537 -12.825 3.060 1.00 0.00 C ATOM 1146 CG ASN A 78 5.991 -14.090 2.427 1.00 0.00 C ATOM 1147 OD1 ASN A 78 5.483 -14.050 1.309 1.00 0.00 O ATOM 1148 ND2 ASN A 78 6.047 -15.208 3.124 1.00 0.00 N ATOM 0 H ASN A 78 4.351 -11.759 2.312 1.00 0.00 H new ATOM 0 HA ASN A 78 5.322 -12.762 4.860 1.00 0.00 H new ATOM 0 HB2 ASN A 78 6.827 -12.130 2.272 1.00 0.00 H new ATOM 0 HB3 ASN A 78 7.441 -13.069 3.618 1.00 0.00 H new ATOM 0 HD21 ASN A 78 5.662 -16.070 2.737 1.00 0.00 H new ATOM 0 HD22 ASN A 78 6.475 -15.211 4.050 1.00 0.00 H new ATOM 1155 N MET A 79 5.872 -9.713 3.814 1.00 0.00 N ATOM 1156 CA MET A 79 6.493 -8.421 3.964 1.00 0.00 C ATOM 1157 C MET A 79 6.182 -7.857 5.360 1.00 0.00 C ATOM 1158 O MET A 79 5.048 -7.994 5.822 1.00 0.00 O ATOM 1159 CB MET A 79 5.881 -7.581 2.844 1.00 0.00 C ATOM 1160 CG MET A 79 6.730 -6.419 2.394 1.00 0.00 C ATOM 1161 SD MET A 79 5.950 -5.493 1.041 1.00 0.00 S ATOM 1162 CE MET A 79 7.401 -4.709 0.301 1.00 0.00 C ATOM 0 H MET A 79 5.132 -9.701 3.112 1.00 0.00 H new ATOM 0 HA MET A 79 7.580 -8.442 3.889 1.00 0.00 H new ATOM 0 HB2 MET A 79 5.689 -8.227 1.987 1.00 0.00 H new ATOM 0 HB3 MET A 79 4.916 -7.201 3.179 1.00 0.00 H new ATOM 0 HG2 MET A 79 6.906 -5.751 3.237 1.00 0.00 H new ATOM 0 HG3 MET A 79 7.704 -6.785 2.069 1.00 0.00 H new ATOM 0 HE1 MET A 79 7.199 -4.485 -0.746 1.00 0.00 H new ATOM 0 HE2 MET A 79 7.626 -3.785 0.833 1.00 0.00 H new ATOM 0 HE3 MET A 79 8.254 -5.384 0.369 1.00 0.00 H new ATOM 1172 N PRO A 80 7.151 -7.248 6.055 1.00 0.00 N ATOM 1173 CA PRO A 80 6.903 -6.666 7.364 1.00 0.00 C ATOM 1174 C PRO A 80 6.128 -5.355 7.190 1.00 0.00 C ATOM 1175 O PRO A 80 6.346 -4.635 6.211 1.00 0.00 O ATOM 1176 CB PRO A 80 8.290 -6.470 7.978 1.00 0.00 C ATOM 1177 CG PRO A 80 9.200 -6.256 6.767 1.00 0.00 C ATOM 1178 CD PRO A 80 8.525 -7.037 5.636 1.00 0.00 C ATOM 0 HA PRO A 80 6.292 -7.289 8.018 1.00 0.00 H new ATOM 0 HB2 PRO A 80 8.312 -5.613 8.651 1.00 0.00 H new ATOM 0 HB3 PRO A 80 8.596 -7.340 8.560 1.00 0.00 H new ATOM 0 HG2 PRO A 80 9.290 -5.198 6.520 1.00 0.00 H new ATOM 0 HG3 PRO A 80 10.208 -6.625 6.958 1.00 0.00 H new ATOM 0 HD2 PRO A 80 8.566 -6.480 4.700 1.00 0.00 H new ATOM 0 HD3 PRO A 80 9.030 -7.987 5.464 1.00 0.00 H new ATOM 1186 N HIS A 81 5.266 -5.008 8.153 1.00 0.00 N ATOM 1187 CA HIS A 81 4.387 -3.843 8.049 1.00 0.00 C ATOM 1188 C HIS A 81 5.153 -2.550 7.749 1.00 0.00 C ATOM 1189 O HIS A 81 4.644 -1.719 7.006 1.00 0.00 O ATOM 1190 CB HIS A 81 3.517 -3.689 9.304 1.00 0.00 C ATOM 1191 CG HIS A 81 2.198 -4.429 9.253 1.00 0.00 C ATOM 1192 ND1 HIS A 81 0.963 -3.840 9.101 1.00 0.00 N ATOM 1193 CD2 HIS A 81 1.993 -5.775 9.411 1.00 0.00 C ATOM 1194 CE1 HIS A 81 0.028 -4.802 9.169 1.00 0.00 C ATOM 1195 NE2 HIS A 81 0.609 -6.003 9.357 1.00 0.00 N ATOM 0 H HIS A 81 5.160 -5.528 9.024 1.00 0.00 H new ATOM 0 HA HIS A 81 3.731 -4.025 7.198 1.00 0.00 H new ATOM 0 HB2 HIS A 81 4.082 -4.041 10.167 1.00 0.00 H new ATOM 0 HB3 HIS A 81 3.318 -2.629 9.464 1.00 0.00 H new ATOM 0 HD2 HIS A 81 2.758 -6.524 9.552 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -1.036 -4.637 9.085 1.00 0.00 H new ATOM 0 HE2 HIS A 81 0.136 -6.902 9.443 1.00 0.00 H new ATOM 1203 N ALA A 82 6.371 -2.359 8.270 1.00 0.00 N ATOM 1204 CA ALA A 82 7.157 -1.164 7.965 1.00 0.00 C ATOM 1205 C ALA A 82 7.427 -0.996 6.474 1.00 0.00 C ATOM 1206 O ALA A 82 7.320 0.121 5.970 1.00 0.00 O ATOM 1207 CB ALA A 82 8.490 -1.201 8.718 1.00 0.00 C ATOM 0 H ALA A 82 6.830 -3.015 8.902 1.00 0.00 H new ATOM 0 HA ALA A 82 6.562 -0.311 8.289 1.00 0.00 H new ATOM 0 HB1 ALA A 82 9.066 -0.306 8.483 1.00 0.00 H new ATOM 0 HB2 ALA A 82 8.301 -1.239 9.791 1.00 0.00 H new ATOM 0 HB3 ALA A 82 9.053 -2.084 8.417 1.00 0.00 H new ATOM 1213 N ASP A 83 7.774 -2.086 5.797 1.00 0.00 N ATOM 1214 CA ASP A 83 8.105 -2.125 4.378 1.00 0.00 C ATOM 1215 C ASP A 83 6.832 -1.866 3.562 1.00 0.00 C ATOM 1216 O ASP A 83 6.847 -1.075 2.626 1.00 0.00 O ATOM 1217 CB ASP A 83 8.759 -3.488 4.090 1.00 0.00 C ATOM 1218 CG ASP A 83 9.511 -3.608 2.762 1.00 0.00 C ATOM 1219 OD1 ASP A 83 9.861 -2.576 2.143 1.00 0.00 O ATOM 1220 OD2 ASP A 83 9.804 -4.762 2.364 1.00 0.00 O ATOM 0 H ASP A 83 7.835 -3.003 6.240 1.00 0.00 H new ATOM 0 HA ASP A 83 8.815 -1.349 4.092 1.00 0.00 H new ATOM 0 HB2 ASP A 83 9.454 -3.713 4.899 1.00 0.00 H new ATOM 0 HB3 ASP A 83 7.983 -4.253 4.115 1.00 0.00 H new ATOM 1225 N ILE A 84 5.694 -2.425 3.990 1.00 0.00 N ATOM 1226 CA ILE A 84 4.378 -2.194 3.389 1.00 0.00 C ATOM 1227 C ILE A 84 3.933 -0.722 3.583 1.00 0.00 C ATOM 1228 O ILE A 84 3.376 -0.117 2.667 1.00 0.00 O ATOM 1229 CB ILE A 84 3.356 -3.197 3.982 1.00 0.00 C ATOM 1230 CG1 ILE A 84 3.780 -4.674 3.803 1.00 0.00 C ATOM 1231 CG2 ILE A 84 1.984 -3.025 3.305 1.00 0.00 C ATOM 1232 CD1 ILE A 84 3.095 -5.629 4.790 1.00 0.00 C ATOM 0 H ILE A 84 5.663 -3.066 4.783 1.00 0.00 H new ATOM 0 HA ILE A 84 4.435 -2.364 2.314 1.00 0.00 H new ATOM 0 HB ILE A 84 3.308 -2.974 5.048 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.550 -4.989 2.785 1.00 0.00 H new ATOM 0 HG13 ILE A 84 4.860 -4.751 3.925 1.00 0.00 H new ATOM 0 HG21 ILE A 84 1.276 -3.736 3.731 1.00 0.00 H new ATOM 0 HG22 ILE A 84 1.622 -2.010 3.469 1.00 0.00 H new ATOM 0 HG23 ILE A 84 2.081 -3.207 2.235 1.00 0.00 H new ATOM 0 HD11 ILE A 84 3.438 -6.648 4.608 1.00 0.00 H new ATOM 0 HD12 ILE A 84 3.345 -5.338 5.810 1.00 0.00 H new ATOM 0 HD13 ILE A 84 2.015 -5.580 4.653 1.00 0.00 H new ATOM 1244 N VAL A 85 4.163 -0.084 4.736 1.00 0.00 N ATOM 1245 CA VAL A 85 3.881 1.335 4.916 1.00 0.00 C ATOM 1246 C VAL A 85 4.807 2.159 4.023 1.00 0.00 C ATOM 1247 O VAL A 85 4.351 3.141 3.420 1.00 0.00 O ATOM 1248 CB VAL A 85 3.991 1.696 6.398 1.00 0.00 C ATOM 1249 CG1 VAL A 85 3.902 3.198 6.637 1.00 0.00 C ATOM 1250 CG2 VAL A 85 2.893 1.058 7.250 1.00 0.00 C ATOM 0 H VAL A 85 4.548 -0.539 5.564 1.00 0.00 H new ATOM 0 HA VAL A 85 2.861 1.567 4.610 1.00 0.00 H new ATOM 0 HB VAL A 85 4.968 1.313 6.692 1.00 0.00 H new ATOM 0 HG11 VAL A 85 3.985 3.402 7.704 1.00 0.00 H new ATOM 0 HG12 VAL A 85 4.712 3.699 6.107 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.945 3.569 6.270 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.024 1.351 8.292 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.918 1.395 6.898 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.953 -0.027 7.168 1.00 0.00 H new ATOM 1260 N LYS A 86 6.088 1.781 3.929 1.00 0.00 N ATOM 1261 CA LYS A 86 7.008 2.381 2.977 1.00 0.00 C ATOM 1262 C LYS A 86 6.404 2.327 1.583 1.00 0.00 C ATOM 1263 O LYS A 86 6.273 3.385 0.983 1.00 0.00 O ATOM 1264 CB LYS A 86 8.372 1.656 3.004 1.00 0.00 C ATOM 1265 CG LYS A 86 9.555 2.617 3.131 1.00 0.00 C ATOM 1266 CD LYS A 86 10.005 2.789 4.590 1.00 0.00 C ATOM 1267 CE LYS A 86 11.079 3.877 4.734 1.00 0.00 C ATOM 1268 NZ LYS A 86 12.303 3.587 3.956 1.00 0.00 N ATOM 0 H LYS A 86 6.506 1.055 4.510 1.00 0.00 H new ATOM 0 HA LYS A 86 7.175 3.422 3.254 1.00 0.00 H new ATOM 0 HB2 LYS A 86 8.389 0.955 3.839 1.00 0.00 H new ATOM 0 HB3 LYS A 86 8.484 1.069 2.092 1.00 0.00 H new ATOM 0 HG2 LYS A 86 10.389 2.245 2.536 1.00 0.00 H new ATOM 0 HG3 LYS A 86 9.279 3.588 2.720 1.00 0.00 H new ATOM 0 HD2 LYS A 86 9.144 3.045 5.208 1.00 0.00 H new ATOM 0 HD3 LYS A 86 10.395 1.842 4.964 1.00 0.00 H new ATOM 0 HE2 LYS A 86 10.666 4.832 4.409 1.00 0.00 H new ATOM 0 HE3 LYS A 86 11.341 3.984 5.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 13.010 4.329 4.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 12.688 2.666 4.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 12.072 3.562 2.942 1.00 0.00 H new ATOM 1282 N LEU A 87 5.972 1.159 1.110 1.00 0.00 N ATOM 1283 CA LEU A 87 5.393 0.914 -0.190 1.00 0.00 C ATOM 1284 C LEU A 87 4.215 1.841 -0.484 1.00 0.00 C ATOM 1285 O LEU A 87 4.049 2.261 -1.623 1.00 0.00 O ATOM 1286 CB LEU A 87 4.949 -0.556 -0.178 1.00 0.00 C ATOM 1287 CG LEU A 87 5.914 -1.641 -0.694 1.00 0.00 C ATOM 1288 CD1 LEU A 87 5.370 -2.215 -1.999 1.00 0.00 C ATOM 1289 CD2 LEU A 87 7.386 -1.232 -0.836 1.00 0.00 C ATOM 0 H LEU A 87 6.025 0.308 1.670 1.00 0.00 H new ATOM 0 HA LEU A 87 6.119 1.113 -0.978 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.689 -0.811 0.849 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.033 -0.626 -0.765 1.00 0.00 H new ATOM 0 HG LEU A 87 5.944 -2.400 0.088 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.049 -2.983 -2.369 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.388 -2.653 -1.822 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.285 -1.419 -2.739 1.00 0.00 H new ATOM 0 HD21 LEU A 87 7.965 -2.078 -1.207 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.467 -0.402 -1.538 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.774 -0.925 0.135 1.00 0.00 H new ATOM 1301 N ILE A 88 3.393 2.196 0.502 1.00 0.00 N ATOM 1302 CA ILE A 88 2.239 3.066 0.273 1.00 0.00 C ATOM 1303 C ILE A 88 2.716 4.523 0.166 1.00 0.00 C ATOM 1304 O ILE A 88 2.186 5.295 -0.635 1.00 0.00 O ATOM 1305 CB ILE A 88 1.238 2.848 1.419 1.00 0.00 C ATOM 1306 CG1 ILE A 88 0.664 1.409 1.397 1.00 0.00 C ATOM 1307 CG2 ILE A 88 0.081 3.860 1.389 1.00 0.00 C ATOM 1308 CD1 ILE A 88 0.012 0.975 2.716 1.00 0.00 C ATOM 0 H ILE A 88 3.505 1.894 1.470 1.00 0.00 H new ATOM 0 HA ILE A 88 1.735 2.828 -0.664 1.00 0.00 H new ATOM 0 HB ILE A 88 1.797 3.000 2.342 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.074 1.336 0.598 1.00 0.00 H new ATOM 0 HG13 ILE A 88 1.467 0.713 1.154 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.597 3.662 2.219 1.00 0.00 H new ATOM 0 HG22 ILE A 88 0.479 4.871 1.479 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.461 3.766 0.448 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.364 -0.043 2.618 1.00 0.00 H new ATOM 0 HD12 ILE A 88 0.750 1.013 3.517 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -0.814 1.646 2.952 1.00 0.00 H new ATOM 1320 N LYS A 89 3.720 4.920 0.955 1.00 0.00 N ATOM 1321 CA LYS A 89 4.344 6.231 0.798 1.00 0.00 C ATOM 1322 C LYS A 89 5.061 6.321 -0.544 1.00 0.00 C ATOM 1323 O LYS A 89 5.100 7.385 -1.160 1.00 0.00 O ATOM 1324 CB LYS A 89 5.332 6.476 1.945 1.00 0.00 C ATOM 1325 CG LYS A 89 5.540 7.979 2.100 1.00 0.00 C ATOM 1326 CD LYS A 89 6.525 8.295 3.227 1.00 0.00 C ATOM 1327 CE LYS A 89 6.792 9.811 3.334 1.00 0.00 C ATOM 1328 NZ LYS A 89 5.553 10.623 3.393 1.00 0.00 N ATOM 0 H LYS A 89 4.114 4.352 1.705 1.00 0.00 H new ATOM 0 HA LYS A 89 3.569 6.997 0.826 1.00 0.00 H new ATOM 0 HB2 LYS A 89 4.948 6.050 2.872 1.00 0.00 H new ATOM 0 HB3 LYS A 89 6.282 5.983 1.737 1.00 0.00 H new ATOM 0 HG2 LYS A 89 5.912 8.395 1.163 1.00 0.00 H new ATOM 0 HG3 LYS A 89 4.584 8.461 2.305 1.00 0.00 H new ATOM 0 HD2 LYS A 89 6.128 7.926 4.173 1.00 0.00 H new ATOM 0 HD3 LYS A 89 7.464 7.770 3.049 1.00 0.00 H new ATOM 0 HE2 LYS A 89 7.388 10.006 4.225 1.00 0.00 H new ATOM 0 HE3 LYS A 89 7.386 10.129 2.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 5.795 11.610 3.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 5.069 10.585 2.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 4.925 10.245 4.131 1.00 0.00 H new ATOM 1342 N ASP A 90 5.653 5.210 -0.964 1.00 0.00 N ATOM 1343 CA ASP A 90 6.378 5.039 -2.207 1.00 0.00 C ATOM 1344 C ASP A 90 5.424 5.130 -3.382 1.00 0.00 C ATOM 1345 O ASP A 90 5.771 5.757 -4.383 1.00 0.00 O ATOM 1346 CB ASP A 90 7.101 3.689 -2.184 1.00 0.00 C ATOM 1347 CG ASP A 90 8.222 3.565 -3.208 1.00 0.00 C ATOM 1348 OD1 ASP A 90 8.154 4.095 -4.340 1.00 0.00 O ATOM 1349 OD2 ASP A 90 9.213 2.885 -2.877 1.00 0.00 O ATOM 0 H ASP A 90 5.636 4.355 -0.408 1.00 0.00 H new ATOM 0 HA ASP A 90 7.118 5.831 -2.317 1.00 0.00 H new ATOM 0 HB2 ASP A 90 7.514 3.527 -1.188 1.00 0.00 H new ATOM 0 HB3 ASP A 90 6.374 2.897 -2.360 1.00 0.00 H new ATOM 1354 N ALA A 91 4.208 4.588 -3.230 1.00 0.00 N ATOM 1355 CA ALA A 91 3.206 4.581 -4.284 1.00 0.00 C ATOM 1356 C ALA A 91 2.901 6.007 -4.753 1.00 0.00 C ATOM 1357 O ALA A 91 2.864 6.271 -5.960 1.00 0.00 O ATOM 1358 CB ALA A 91 1.945 3.906 -3.746 1.00 0.00 C ATOM 0 H ALA A 91 3.899 4.142 -2.366 1.00 0.00 H new ATOM 0 HA ALA A 91 3.581 4.029 -5.146 1.00 0.00 H new ATOM 0 HB1 ALA A 91 1.181 3.891 -4.523 1.00 0.00 H new ATOM 0 HB2 ALA A 91 2.179 2.884 -3.447 1.00 0.00 H new ATOM 0 HB3 ALA A 91 1.575 4.461 -2.884 1.00 0.00 H new ATOM 1364 N GLY A 92 2.800 6.937 -3.799 1.00 0.00 N ATOM 1365 CA GLY A 92 2.701 8.362 -4.045 1.00 0.00 C ATOM 1366 C GLY A 92 1.311 8.875 -3.709 1.00 0.00 C ATOM 1367 O GLY A 92 0.719 8.479 -2.697 1.00 0.00 O ATOM 0 H GLY A 92 2.785 6.702 -2.806 1.00 0.00 H new ATOM 0 HA2 GLY A 92 3.443 8.891 -3.446 1.00 0.00 H new ATOM 0 HA3 GLY A 92 2.927 8.571 -5.091 1.00 0.00 H new ATOM 1371 N LEU A 93 0.809 9.799 -4.525 1.00 0.00 N ATOM 1372 CA LEU A 93 -0.583 10.232 -4.491 1.00 0.00 C ATOM 1373 C LEU A 93 -1.455 9.110 -5.010 1.00 0.00 C ATOM 1374 O LEU A 93 -2.519 8.882 -4.452 1.00 0.00 O ATOM 1375 CB LEU A 93 -0.832 11.483 -5.352 1.00 0.00 C ATOM 1376 CG LEU A 93 0.028 12.670 -4.926 1.00 0.00 C ATOM 1377 CD1 LEU A 93 -0.204 13.896 -5.811 1.00 0.00 C ATOM 1378 CD2 LEU A 93 -0.223 13.083 -3.472 1.00 0.00 C ATOM 0 H LEU A 93 1.365 10.273 -5.236 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.824 10.484 -3.458 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -0.627 11.247 -6.396 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.884 11.760 -5.288 1.00 0.00 H new ATOM 0 HG LEU A 93 1.057 12.327 -5.033 1.00 0.00 H new ATOM 0 HD11 LEU A 93 0.429 14.716 -5.471 1.00 0.00 H new ATOM 0 HD12 LEU A 93 0.044 13.651 -6.844 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.250 14.196 -5.750 1.00 0.00 H new ATOM 0 HD21 LEU A 93 0.413 13.931 -3.220 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.269 13.365 -3.349 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.008 12.247 -2.811 1.00 0.00 H new ATOM 1390 N SER A 94 -1.022 8.426 -6.062 1.00 0.00 N ATOM 1391 CA SER A 94 -1.727 7.269 -6.606 1.00 0.00 C ATOM 1392 C SER A 94 -1.150 5.984 -6.025 1.00 0.00 C ATOM 1393 O SER A 94 0.062 5.790 -6.061 1.00 0.00 O ATOM 1394 CB SER A 94 -1.650 7.238 -8.142 1.00 0.00 C ATOM 1395 OG SER A 94 -0.561 7.984 -8.670 1.00 0.00 O ATOM 0 H SER A 94 -0.166 8.659 -6.566 1.00 0.00 H new ATOM 0 HA SER A 94 -2.777 7.351 -6.324 1.00 0.00 H new ATOM 0 HB2 SER A 94 -1.565 6.203 -8.473 1.00 0.00 H new ATOM 0 HB3 SER A 94 -2.581 7.629 -8.553 1.00 0.00 H new ATOM 0 HG SER A 94 -0.567 7.923 -9.648 1.00 0.00 H new ATOM 1401 N VAL A 95 -2.005 5.083 -5.548 1.00 0.00 N ATOM 1402 CA VAL A 95 -1.652 3.742 -5.114 1.00 0.00 C ATOM 1403 C VAL A 95 -2.654 2.781 -5.733 1.00 0.00 C ATOM 1404 O VAL A 95 -3.847 3.094 -5.786 1.00 0.00 O ATOM 1405 CB VAL A 95 -1.599 3.709 -3.574 1.00 0.00 C ATOM 1406 CG1 VAL A 95 -2.947 4.057 -2.932 1.00 0.00 C ATOM 1407 CG2 VAL A 95 -1.124 2.364 -3.006 1.00 0.00 C ATOM 0 H VAL A 95 -3.001 5.279 -5.451 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.661 3.435 -5.449 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.864 4.472 -3.318 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.854 4.019 -1.847 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -3.246 5.060 -3.236 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.701 3.340 -3.257 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -1.111 2.413 -1.917 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.803 1.574 -3.326 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.120 2.149 -3.371 1.00 0.00 H new ATOM 1417 N THR A 96 -2.185 1.623 -6.191 1.00 0.00 N ATOM 1418 CA THR A 96 -3.016 0.577 -6.756 1.00 0.00 C ATOM 1419 C THR A 96 -3.036 -0.594 -5.767 1.00 0.00 C ATOM 1420 O THR A 96 -2.022 -1.275 -5.571 1.00 0.00 O ATOM 1421 CB THR A 96 -2.486 0.161 -8.141 1.00 0.00 C ATOM 1422 OG1 THR A 96 -1.797 1.193 -8.839 1.00 0.00 O ATOM 1423 CG2 THR A 96 -3.640 -0.339 -8.998 1.00 0.00 C ATOM 0 H THR A 96 -1.193 1.386 -6.177 1.00 0.00 H new ATOM 0 HA THR A 96 -4.036 0.930 -6.909 1.00 0.00 H new ATOM 0 HB THR A 96 -1.755 -0.627 -7.959 1.00 0.00 H new ATOM 0 HG1 THR A 96 -1.490 0.853 -9.706 1.00 0.00 H new ATOM 0 HG21 THR A 96 -3.265 -0.633 -9.978 1.00 0.00 H new ATOM 0 HG22 THR A 96 -4.106 -1.198 -8.515 1.00 0.00 H new ATOM 0 HG23 THR A 96 -4.377 0.456 -9.115 1.00 0.00 H new ATOM 1431 N LEU A 97 -4.171 -0.821 -5.108 1.00 0.00 N ATOM 1432 CA LEU A 97 -4.374 -1.969 -4.225 1.00 0.00 C ATOM 1433 C LEU A 97 -4.946 -3.113 -5.047 1.00 0.00 C ATOM 1434 O LEU A 97 -5.761 -2.865 -5.937 1.00 0.00 O ATOM 1435 CB LEU A 97 -5.377 -1.595 -3.122 1.00 0.00 C ATOM 1436 CG LEU A 97 -4.741 -0.683 -2.061 1.00 0.00 C ATOM 1437 CD1 LEU A 97 -5.822 0.143 -1.360 1.00 0.00 C ATOM 1438 CD2 LEU A 97 -3.952 -1.504 -1.037 1.00 0.00 C ATOM 0 H LEU A 97 -4.983 -0.208 -5.172 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.427 -2.262 -3.771 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -6.236 -1.092 -3.566 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -5.750 -2.502 -2.646 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.048 -0.007 -2.561 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -5.360 0.785 -0.610 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -6.343 0.758 -2.094 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -6.534 -0.525 -0.876 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.512 -0.836 -0.297 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.622 -2.206 -0.540 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -3.161 -2.055 -1.545 1.00 0.00 H new ATOM 1450 N ARG A 98 -4.578 -4.352 -4.715 1.00 0.00 N ATOM 1451 CA ARG A 98 -5.117 -5.558 -5.330 1.00 0.00 C ATOM 1452 C ARG A 98 -5.883 -6.300 -4.253 1.00 0.00 C ATOM 1453 O ARG A 98 -5.297 -6.769 -3.271 1.00 0.00 O ATOM 1454 CB ARG A 98 -3.994 -6.376 -5.980 1.00 0.00 C ATOM 1455 CG ARG A 98 -4.466 -7.710 -6.574 1.00 0.00 C ATOM 1456 CD ARG A 98 -3.337 -8.468 -7.292 1.00 0.00 C ATOM 1457 NE ARG A 98 -3.057 -7.909 -8.627 1.00 0.00 N ATOM 1458 CZ ARG A 98 -2.653 -8.585 -9.710 1.00 0.00 C ATOM 1459 NH1 ARG A 98 -2.387 -9.890 -9.669 1.00 0.00 N ATOM 1460 NH2 ARG A 98 -2.540 -7.926 -10.857 1.00 0.00 N ATOM 0 H ARG A 98 -3.882 -4.545 -3.995 1.00 0.00 H new ATOM 0 HA ARG A 98 -5.804 -5.333 -6.146 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -3.532 -5.781 -6.768 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -3.222 -6.573 -5.236 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -4.870 -8.336 -5.778 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -5.278 -7.524 -7.277 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -2.432 -8.429 -6.686 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -3.611 -9.519 -7.389 1.00 0.00 H new ATOM 0 HE ARG A 98 -3.184 -6.903 -8.737 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -2.489 -10.404 -8.794 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -2.081 -10.375 -10.513 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -2.759 -6.931 -10.897 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -2.234 -8.415 -11.698 1.00 0.00 H new ATOM 1474 N ILE A 99 -7.194 -6.389 -4.437 1.00 0.00 N ATOM 1475 CA ILE A 99 -8.124 -7.039 -3.523 1.00 0.00 C ATOM 1476 C ILE A 99 -8.736 -8.250 -4.219 1.00 0.00 C ATOM 1477 O ILE A 99 -8.727 -8.327 -5.453 1.00 0.00 O ATOM 1478 CB ILE A 99 -9.181 -6.022 -3.043 1.00 0.00 C ATOM 1479 CG1 ILE A 99 -10.074 -5.498 -4.200 1.00 0.00 C ATOM 1480 CG2 ILE A 99 -8.529 -4.860 -2.274 1.00 0.00 C ATOM 1481 CD1 ILE A 99 -11.520 -5.927 -3.981 1.00 0.00 C ATOM 0 H ILE A 99 -7.656 -5.996 -5.257 1.00 0.00 H new ATOM 0 HA ILE A 99 -7.608 -7.397 -2.632 1.00 0.00 H new ATOM 0 HB ILE A 99 -9.838 -6.557 -2.357 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -10.013 -4.411 -4.253 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -9.712 -5.884 -5.153 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -9.300 -4.161 -1.949 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -8.003 -5.250 -1.403 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -7.822 -4.345 -2.924 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -12.138 -5.554 -4.798 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -11.576 -7.015 -3.951 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -11.882 -5.519 -3.037 1.00 0.00 H new ATOM 1493 N ILE A 100 -9.296 -9.180 -3.444 1.00 0.00 N ATOM 1494 CA ILE A 100 -10.134 -10.234 -3.986 1.00 0.00 C ATOM 1495 C ILE A 100 -11.575 -9.733 -3.866 1.00 0.00 C ATOM 1496 O ILE A 100 -12.029 -9.473 -2.744 1.00 0.00 O ATOM 1497 CB ILE A 100 -9.903 -11.575 -3.287 1.00 0.00 C ATOM 1498 CG1 ILE A 100 -8.442 -11.998 -3.495 1.00 0.00 C ATOM 1499 CG2 ILE A 100 -10.809 -12.631 -3.936 1.00 0.00 C ATOM 1500 CD1 ILE A 100 -8.074 -13.176 -2.590 1.00 0.00 C ATOM 0 H ILE A 100 -9.179 -9.218 -2.431 1.00 0.00 H new ATOM 0 HA ILE A 100 -9.889 -10.437 -5.029 1.00 0.00 H new ATOM 0 HB ILE A 100 -10.124 -11.484 -2.223 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -8.285 -12.274 -4.538 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -7.783 -11.155 -3.286 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -10.655 -13.593 -3.447 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -11.852 -12.332 -3.828 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -10.565 -12.719 -4.995 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -7.034 -13.454 -2.759 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -8.208 -12.889 -1.547 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -8.718 -14.025 -2.818 1.00 0.00 H new