USER MOD reduce.3.24.130724 H: found=0, std=0, add=622, rem=0, adj=13 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 Set 1.1: A 75 SER OG : rot 42:sc= 0.867 USER MOD Set 1.2: A 78 ASN : amide:sc= 0.496 X(o=1.4,f=1.1) USER MOD Single : A 11 THR OG1 : rot -26:sc= 0.15 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= -0.887 X(o=-0.89,f=-1.1) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.0221 X(o=-0.022,f=-0.022) USER MOD Single : A 45 HIS : no HE2:sc= -2.94! K(o=-2.9!,f=-2.2) USER MOD Single : A 46 LYS NZ :NH3+ 173:sc= 0.883 (180deg=0.843) USER MOD Single : A 54 SER OG : rot -83:sc= 1.65 USER MOD Single : A 59 CYS SG : rot 88:sc= 0.174 USER MOD Single : A 61 LYS NZ :NH3+ -168:sc= 0.825 (180deg=0.62) 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) USER MOD Single : A 74 GLN : amide:sc= 1.26 K(o=1.3,f=-0.014) USER MOD Single : A 79 MET CE :methyl -143:sc= -0.899 (180deg=-2.68!) USER MOD Single : A 81 HIS : no HE2:sc= 0.012 X(o=0.012,f=-0.1) USER MOD Single : A 86 LYS NZ :NH3+ 164:sc=-0.00702 (180deg=-0.102) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0.0198 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 113 N THR A 11 -9.496 -11.178 -9.263 1.00 0.00 N ATOM 114 CA THR A 11 -9.222 -10.073 -8.362 1.00 0.00 C ATOM 115 C THR A 11 -9.734 -8.783 -8.999 1.00 0.00 C ATOM 116 O THR A 11 -10.066 -8.757 -10.191 1.00 0.00 O ATOM 117 CB THR A 11 -7.725 -10.049 -8.010 1.00 0.00 C ATOM 118 OG1 THR A 11 -6.909 -10.060 -9.172 1.00 0.00 O ATOM 119 CG2 THR A 11 -7.343 -11.265 -7.155 1.00 0.00 C ATOM 0 HA THR A 11 -9.748 -10.189 -7.415 1.00 0.00 H new ATOM 0 HB THR A 11 -7.556 -9.126 -7.455 1.00 0.00 H new ATOM 0 HG1 THR A 11 -7.393 -10.490 -9.908 1.00 0.00 H new ATOM 0 HG21 THR A 11 -6.279 -11.225 -6.920 1.00 0.00 H new ATOM 0 HG22 THR A 11 -7.920 -11.255 -6.230 1.00 0.00 H new ATOM 0 HG23 THR A 11 -7.558 -12.180 -7.707 1.00 0.00 H new ATOM 127 N SER A 12 -9.807 -7.722 -8.210 1.00 0.00 N ATOM 128 CA SER A 12 -10.092 -6.372 -8.644 1.00 0.00 C ATOM 129 C SER A 12 -8.882 -5.550 -8.235 1.00 0.00 C ATOM 130 O SER A 12 -8.254 -5.830 -7.206 1.00 0.00 O ATOM 131 CB SER A 12 -11.351 -5.857 -7.941 1.00 0.00 C ATOM 132 OG SER A 12 -12.538 -6.436 -8.459 1.00 0.00 O ATOM 0 H SER A 12 -9.661 -7.787 -7.203 1.00 0.00 H new ATOM 0 HA SER A 12 -10.271 -6.314 -9.718 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.281 -6.072 -6.875 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.404 -4.773 -8.045 1.00 0.00 H new ATOM 0 HG SER A 12 -13.313 -6.078 -7.978 1.00 0.00 H new ATOM 138 N ASP A 13 -8.595 -4.524 -9.020 1.00 0.00 N ATOM 139 CA ASP A 13 -7.644 -3.490 -8.640 1.00 0.00 C ATOM 140 C ASP A 13 -8.437 -2.329 -8.053 1.00 0.00 C ATOM 141 O ASP A 13 -9.625 -2.132 -8.365 1.00 0.00 O ATOM 142 CB ASP A 13 -6.797 -3.000 -9.822 1.00 0.00 C ATOM 143 CG ASP A 13 -5.456 -3.695 -10.047 1.00 0.00 C ATOM 144 OD1 ASP A 13 -5.146 -4.695 -9.338 1.00 0.00 O ATOM 145 OD2 ASP A 13 -4.670 -3.184 -10.866 1.00 0.00 O ATOM 0 H ASP A 13 -9.015 -4.384 -9.939 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.945 -3.907 -7.914 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.390 -3.105 -10.731 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.608 -1.935 -9.686 1.00 0.00 H new ATOM 150 N VAL A 14 -7.769 -1.544 -7.214 1.00 0.00 N ATOM 151 CA VAL A 14 -8.326 -0.360 -6.591 1.00 0.00 C ATOM 152 C VAL A 14 -7.247 0.701 -6.660 1.00 0.00 C ATOM 153 O VAL A 14 -6.272 0.610 -5.915 1.00 0.00 O ATOM 154 CB VAL A 14 -8.758 -0.661 -5.140 1.00 0.00 C ATOM 155 CG1 VAL A 14 -9.478 0.567 -4.581 1.00 0.00 C ATOM 156 CG2 VAL A 14 -9.607 -1.937 -5.024 1.00 0.00 C ATOM 0 H VAL A 14 -6.801 -1.723 -6.945 1.00 0.00 H new ATOM 0 HA VAL A 14 -9.225 -0.017 -7.103 1.00 0.00 H new ATOM 0 HB VAL A 14 -7.869 -0.862 -4.543 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -9.790 0.370 -3.555 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -8.803 1.423 -4.597 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -10.354 0.784 -5.192 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -9.881 -2.098 -3.981 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -10.510 -1.829 -5.624 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.032 -2.790 -5.384 1.00 0.00 H new ATOM 166 N VAL A 15 -7.389 1.654 -7.580 1.00 0.00 N ATOM 167 CA VAL A 15 -6.524 2.820 -7.631 1.00 0.00 C ATOM 168 C VAL A 15 -7.273 3.968 -6.945 1.00 0.00 C ATOM 169 O VAL A 15 -8.483 4.127 -7.132 1.00 0.00 O ATOM 170 CB VAL A 15 -6.063 3.068 -9.083 1.00 0.00 C ATOM 171 CG1 VAL A 15 -7.179 3.578 -9.997 1.00 0.00 C ATOM 172 CG2 VAL A 15 -4.843 3.994 -9.115 1.00 0.00 C ATOM 0 H VAL A 15 -8.105 1.635 -8.306 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.589 2.693 -7.086 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.774 2.097 -9.486 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.785 3.731 -11.002 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.985 2.845 -10.031 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.563 4.522 -9.610 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.535 4.155 -10.148 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.100 4.950 -8.660 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.024 3.536 -8.560 1.00 0.00 H new ATOM 182 N ILE A 16 -6.576 4.707 -6.083 1.00 0.00 N ATOM 183 CA ILE A 16 -7.062 5.844 -5.303 1.00 0.00 C ATOM 184 C ILE A 16 -5.886 6.822 -5.292 1.00 0.00 C ATOM 185 O ILE A 16 -4.766 6.371 -5.046 1.00 0.00 O ATOM 186 CB ILE A 16 -7.417 5.390 -3.861 1.00 0.00 C ATOM 187 CG1 ILE A 16 -8.555 4.339 -3.811 1.00 0.00 C ATOM 188 CG2 ILE A 16 -7.815 6.598 -2.984 1.00 0.00 C ATOM 189 CD1 ILE A 16 -8.532 3.490 -2.536 1.00 0.00 C ATOM 0 H ILE A 16 -5.591 4.514 -5.899 1.00 0.00 H new ATOM 0 HA ILE A 16 -7.965 6.290 -5.719 1.00 0.00 H new ATOM 0 HB ILE A 16 -6.513 4.921 -3.472 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -9.516 4.849 -3.884 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -8.475 3.684 -4.678 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -8.059 6.253 -1.979 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -6.984 7.301 -2.935 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -8.684 7.093 -3.419 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -9.353 2.774 -2.561 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -7.585 2.954 -2.473 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -8.642 4.137 -1.666 1.00 0.00 H new ATOM 201 N HIS A 17 -6.115 8.116 -5.542 1.00 0.00 N ATOM 202 CA HIS A 17 -5.089 9.159 -5.678 1.00 0.00 C ATOM 203 C HIS A 17 -5.207 10.173 -4.526 1.00 0.00 C ATOM 204 O HIS A 17 -6.288 10.298 -3.943 1.00 0.00 O ATOM 205 CB HIS A 17 -5.248 9.854 -7.045 1.00 0.00 C ATOM 206 CG HIS A 17 -5.072 8.952 -8.252 1.00 0.00 C ATOM 207 ND1 HIS A 17 -4.105 9.088 -9.227 1.00 0.00 N ATOM 208 CD2 HIS A 17 -5.869 7.891 -8.613 1.00 0.00 C ATOM 209 CE1 HIS A 17 -4.311 8.122 -10.138 1.00 0.00 C ATOM 210 NE2 HIS A 17 -5.368 7.367 -9.808 1.00 0.00 N ATOM 0 H HIS A 17 -7.060 8.482 -5.660 1.00 0.00 H new ATOM 0 HA HIS A 17 -4.098 8.708 -5.626 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -6.238 10.307 -7.091 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -4.523 10.665 -7.109 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -6.729 7.527 -8.070 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -3.705 7.974 -11.020 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -5.734 6.568 -10.326 1.00 0.00 H new ATOM 218 N ARG A 18 -4.163 10.951 -4.194 1.00 0.00 N ATOM 219 CA ARG A 18 -4.227 11.961 -3.116 1.00 0.00 C ATOM 220 C ARG A 18 -3.256 13.106 -3.386 1.00 0.00 C ATOM 221 O ARG A 18 -2.436 13.033 -4.302 1.00 0.00 O ATOM 222 CB ARG A 18 -3.905 11.347 -1.740 1.00 0.00 C ATOM 223 CG ARG A 18 -2.806 10.286 -1.833 1.00 0.00 C ATOM 224 CD ARG A 18 -2.039 9.970 -0.552 1.00 0.00 C ATOM 225 NE ARG A 18 -0.697 10.559 -0.592 1.00 0.00 N ATOM 226 CZ ARG A 18 0.492 10.045 -0.919 1.00 0.00 C ATOM 227 NH1 ARG A 18 0.605 8.799 -1.364 1.00 0.00 N ATOM 228 NH2 ARG A 18 1.583 10.791 -0.826 1.00 0.00 N ATOM 0 H ARG A 18 -3.257 10.901 -4.659 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.248 12.341 -3.101 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.592 12.135 -1.055 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.807 10.900 -1.322 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.257 9.362 -2.195 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.088 10.607 -2.588 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.585 10.355 0.309 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.964 8.890 -0.424 1.00 0.00 H new ATOM 0 HE ARG A 18 -0.665 11.542 -0.320 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -0.226 8.215 -1.462 1.00 0.00 H new ATOM 0 HH12 ARG A 18 1.522 8.426 -1.608 1.00 0.00 H new ATOM 0 HH21 ARG A 18 1.515 11.757 -0.505 1.00 0.00 H new ATOM 0 HH22 ARG A 18 2.491 10.400 -1.075 1.00 0.00 H new ATOM 242 N LYS A 19 -3.280 14.132 -2.529 1.00 0.00 N ATOM 243 CA LYS A 19 -2.192 15.097 -2.399 1.00 0.00 C ATOM 244 C LYS A 19 -0.947 14.404 -1.847 1.00 0.00 C ATOM 245 O LYS A 19 -1.044 13.359 -1.203 1.00 0.00 O ATOM 246 CB LYS A 19 -2.608 16.244 -1.469 1.00 0.00 C ATOM 247 CG LYS A 19 -3.493 17.296 -2.138 1.00 0.00 C ATOM 248 CD LYS A 19 -4.839 16.831 -2.703 1.00 0.00 C ATOM 249 CE LYS A 19 -5.794 16.327 -1.617 1.00 0.00 C ATOM 250 NZ LYS A 19 -7.199 16.639 -1.950 1.00 0.00 N ATOM 0 H LYS A 19 -4.064 14.314 -1.902 1.00 0.00 H new ATOM 0 HA LYS A 19 -1.966 15.508 -3.383 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.139 15.829 -0.612 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -1.711 16.730 -1.084 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.688 18.084 -1.411 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.924 17.746 -2.951 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.308 17.656 -3.239 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.668 16.036 -3.429 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.677 15.250 -1.498 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.535 16.783 -0.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.821 16.285 -1.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.314 17.669 -2.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.452 16.183 -2.850 1.00 0.00 H new ATOM 264 N GLU A 20 0.204 15.044 -2.021 1.00 0.00 N ATOM 265 CA GLU A 20 1.506 14.598 -1.552 1.00 0.00 C ATOM 266 C GLU A 20 1.514 14.405 -0.031 1.00 0.00 C ATOM 267 O GLU A 20 1.903 13.341 0.456 1.00 0.00 O ATOM 268 CB GLU A 20 2.533 15.645 -2.003 1.00 0.00 C ATOM 269 CG GLU A 20 3.834 14.972 -2.435 1.00 0.00 C ATOM 270 CD GLU A 20 4.836 16.040 -2.859 1.00 0.00 C ATOM 271 OE1 GLU A 20 4.680 16.670 -3.931 1.00 0.00 O ATOM 272 OE2 GLU A 20 5.719 16.365 -2.038 1.00 0.00 O ATOM 0 H GLU A 20 0.254 15.933 -2.519 1.00 0.00 H new ATOM 0 HA GLU A 20 1.755 13.625 -1.975 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.127 16.228 -2.830 1.00 0.00 H new ATOM 0 HB3 GLU A 20 2.731 16.342 -1.189 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.241 14.380 -1.615 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.645 14.286 -3.260 1.00 0.00 H new ATOM 279 N ASN A 21 1.041 15.412 0.709 1.00 0.00 N ATOM 280 CA ASN A 21 1.101 15.459 2.169 1.00 0.00 C ATOM 281 C ASN A 21 0.054 14.558 2.831 1.00 0.00 C ATOM 282 O ASN A 21 0.219 14.190 3.994 1.00 0.00 O ATOM 283 CB ASN A 21 0.882 16.906 2.634 1.00 0.00 C ATOM 284 CG ASN A 21 1.253 17.051 4.103 1.00 0.00 C ATOM 285 OD1 ASN A 21 2.417 16.934 4.471 1.00 0.00 O ATOM 286 ND2 ASN A 21 0.306 17.265 4.998 1.00 0.00 N ATOM 0 H ASN A 21 0.597 16.234 0.299 1.00 0.00 H new ATOM 0 HA ASN A 21 2.084 15.094 2.468 1.00 0.00 H new ATOM 0 HB2 ASN A 21 1.486 17.584 2.031 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -0.160 17.189 2.485 1.00 0.00 H new ATOM 0 HD21 ASN A 21 0.545 17.332 5.987 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -0.665 17.363 4.700 1.00 0.00 H new ATOM 293 N GLU A 22 -1.019 14.224 2.106 1.00 0.00 N ATOM 294 CA GLU A 22 -2.040 13.268 2.534 1.00 0.00 C ATOM 295 C GLU A 22 -1.419 11.863 2.602 1.00 0.00 C ATOM 296 O GLU A 22 -0.284 11.626 2.181 1.00 0.00 O ATOM 297 CB GLU A 22 -3.223 13.297 1.540 1.00 0.00 C ATOM 298 CG GLU A 22 -4.228 14.442 1.749 1.00 0.00 C ATOM 299 CD GLU A 22 -5.525 13.979 2.424 1.00 0.00 C ATOM 300 OE1 GLU A 22 -6.448 13.483 1.728 1.00 0.00 O ATOM 301 OE2 GLU A 22 -5.682 14.100 3.652 1.00 0.00 O ATOM 0 H GLU A 22 -1.204 14.621 1.185 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.413 13.536 3.523 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.824 13.366 0.528 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.757 12.349 1.609 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.765 15.219 2.357 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.466 14.891 0.785 1.00 0.00 H new ATOM 308 N GLY A 23 -2.188 10.897 3.090 1.00 0.00 N ATOM 309 CA GLY A 23 -1.772 9.519 3.264 1.00 0.00 C ATOM 310 C GLY A 23 -2.954 8.567 3.189 1.00 0.00 C ATOM 311 O GLY A 23 -3.078 7.677 4.027 1.00 0.00 O ATOM 0 H GLY A 23 -3.151 11.062 3.384 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.044 9.258 2.496 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.274 9.407 4.227 1.00 0.00 H new ATOM 315 N PHE A 24 -3.824 8.750 2.190 1.00 0.00 N ATOM 316 CA PHE A 24 -5.065 8.087 1.923 1.00 0.00 C ATOM 317 C PHE A 24 -5.955 8.075 3.173 1.00 0.00 C ATOM 318 O PHE A 24 -5.672 8.721 4.185 1.00 0.00 O ATOM 319 CB PHE A 24 -4.714 6.733 1.315 1.00 0.00 C ATOM 320 CG PHE A 24 -3.667 6.725 0.204 1.00 0.00 C ATOM 321 CD1 PHE A 24 -4.051 6.919 -1.137 1.00 0.00 C ATOM 322 CD2 PHE A 24 -2.301 6.530 0.512 1.00 0.00 C ATOM 323 CE1 PHE A 24 -3.078 6.894 -2.151 1.00 0.00 C ATOM 324 CE2 PHE A 24 -1.339 6.488 -0.511 1.00 0.00 C ATOM 325 CZ PHE A 24 -1.723 6.688 -1.847 1.00 0.00 C ATOM 0 H PHE A 24 -3.634 9.454 1.476 1.00 0.00 H new ATOM 0 HA PHE A 24 -5.688 8.609 1.197 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -4.364 6.082 2.116 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -5.629 6.290 0.922 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.089 7.086 -1.385 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -1.995 6.412 1.541 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -3.377 7.035 -3.179 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -0.303 6.302 -0.270 1.00 0.00 H new ATOM 0 HZ PHE A 24 -0.983 6.683 -2.633 1.00 0.00 H new ATOM 335 N GLY A 25 -7.079 7.384 3.090 1.00 0.00 N ATOM 336 CA GLY A 25 -8.055 7.341 4.169 1.00 0.00 C ATOM 337 C GLY A 25 -8.503 5.932 4.469 1.00 0.00 C ATOM 338 O GLY A 25 -9.696 5.693 4.605 1.00 0.00 O ATOM 0 H GLY A 25 -7.342 6.835 2.271 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -7.623 7.783 5.067 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -8.920 7.947 3.900 1.00 0.00 H new ATOM 342 N PHE A 26 -7.557 5.005 4.554 1.00 0.00 N ATOM 343 CA PHE A 26 -7.811 3.606 4.808 1.00 0.00 C ATOM 344 C PHE A 26 -6.777 3.095 5.796 1.00 0.00 C ATOM 345 O PHE A 26 -5.679 3.650 5.864 1.00 0.00 O ATOM 346 CB PHE A 26 -7.793 2.848 3.479 1.00 0.00 C ATOM 347 CG PHE A 26 -6.439 2.635 2.806 1.00 0.00 C ATOM 348 CD1 PHE A 26 -5.670 3.694 2.258 1.00 0.00 C ATOM 349 CD2 PHE A 26 -5.967 1.313 2.686 1.00 0.00 C ATOM 350 CE1 PHE A 26 -4.462 3.386 1.592 1.00 0.00 C ATOM 351 CE2 PHE A 26 -4.778 1.023 2.008 1.00 0.00 C ATOM 352 CZ PHE A 26 -4.024 2.060 1.448 1.00 0.00 C ATOM 0 H PHE A 26 -6.566 5.219 4.444 1.00 0.00 H new ATOM 0 HA PHE A 26 -8.794 3.451 5.254 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.244 1.869 3.644 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.436 3.381 2.779 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.002 4.718 2.348 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -6.535 0.507 3.126 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -3.863 4.188 1.185 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.443 0.000 1.917 1.00 0.00 H new ATOM 0 HZ PHE A 26 -3.113 1.842 0.910 1.00 0.00 H new ATOM 362 N VAL A 27 -7.120 2.060 6.556 1.00 0.00 N ATOM 363 CA VAL A 27 -6.278 1.493 7.597 1.00 0.00 C ATOM 364 C VAL A 27 -6.401 -0.018 7.462 1.00 0.00 C ATOM 365 O VAL A 27 -7.514 -0.550 7.481 1.00 0.00 O ATOM 366 CB VAL A 27 -6.718 1.981 8.998 1.00 0.00 C ATOM 367 CG1 VAL A 27 -5.594 1.744 10.018 1.00 0.00 C ATOM 368 CG2 VAL A 27 -7.103 3.471 9.056 1.00 0.00 C ATOM 0 H VAL A 27 -8.016 1.582 6.460 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.241 1.809 7.486 1.00 0.00 H new ATOM 0 HB VAL A 27 -7.610 1.401 9.235 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.915 2.091 11.000 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -5.365 0.679 10.066 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -4.703 2.293 9.712 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -7.399 3.731 10.072 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -6.248 4.079 8.760 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -7.935 3.659 8.377 1.00 0.00 H new ATOM 378 N ILE A 28 -5.286 -0.716 7.281 1.00 0.00 N ATOM 379 CA ILE A 28 -5.223 -2.169 7.319 1.00 0.00 C ATOM 380 C ILE A 28 -5.060 -2.576 8.789 1.00 0.00 C ATOM 381 O ILE A 28 -4.461 -1.834 9.572 1.00 0.00 O ATOM 382 CB ILE A 28 -4.033 -2.654 6.456 1.00 0.00 C ATOM 383 CG1 ILE A 28 -4.041 -2.053 5.026 1.00 0.00 C ATOM 384 CG2 ILE A 28 -4.046 -4.182 6.328 1.00 0.00 C ATOM 385 CD1 ILE A 28 -3.040 -0.900 4.881 1.00 0.00 C ATOM 0 H ILE A 28 -4.383 -0.277 7.100 1.00 0.00 H new ATOM 0 HA ILE A 28 -6.126 -2.625 6.912 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.134 -2.314 6.971 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.802 -2.833 4.304 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -5.043 -1.695 4.789 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -3.202 -4.503 5.718 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.969 -4.631 7.318 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.976 -4.500 5.857 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.080 -0.510 3.864 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.294 -0.107 5.584 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.034 -1.263 5.091 1.00 0.00 H new ATOM 397 N ILE A 29 -5.548 -3.760 9.156 1.00 0.00 N ATOM 398 CA ILE A 29 -5.291 -4.414 10.424 1.00 0.00 C ATOM 399 C ILE A 29 -4.886 -5.866 10.139 1.00 0.00 C ATOM 400 O ILE A 29 -5.152 -6.372 9.044 1.00 0.00 O ATOM 401 CB ILE A 29 -6.548 -4.318 11.311 1.00 0.00 C ATOM 402 CG1 ILE A 29 -7.783 -5.016 10.695 1.00 0.00 C ATOM 403 CG2 ILE A 29 -6.843 -2.851 11.681 1.00 0.00 C ATOM 404 CD1 ILE A 29 -8.942 -5.144 11.687 1.00 0.00 C ATOM 0 H ILE A 29 -6.158 -4.307 8.548 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.478 -3.931 10.965 1.00 0.00 H new ATOM 0 HB ILE A 29 -6.330 -4.866 12.228 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -8.116 -4.454 9.823 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -7.498 -6.008 10.345 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -7.734 -2.806 12.307 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.995 -2.436 12.226 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -7.009 -2.273 10.772 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -9.782 -5.641 11.202 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -8.621 -5.730 12.548 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -9.249 -4.152 12.018 1.00 0.00 H new ATOM 616 N PRO A 44 -4.322 -12.080 6.440 1.00 0.00 N ATOM 617 CA PRO A 44 -3.685 -10.998 7.166 1.00 0.00 C ATOM 618 C PRO A 44 -4.365 -9.681 6.768 1.00 0.00 C ATOM 619 O PRO A 44 -5.419 -9.335 7.301 1.00 0.00 O ATOM 620 CB PRO A 44 -2.197 -11.113 6.802 1.00 0.00 C ATOM 621 CG PRO A 44 -2.212 -11.699 5.385 1.00 0.00 C ATOM 622 CD PRO A 44 -3.450 -12.597 5.390 1.00 0.00 C ATOM 0 HA PRO A 44 -3.779 -11.039 8.251 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -1.702 -10.142 6.828 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -1.664 -11.761 7.497 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -2.284 -10.919 4.627 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -1.305 -12.265 5.174 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -3.951 -12.575 4.422 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -3.178 -13.634 5.585 1.00 0.00 H new ATOM 630 N HIS A 45 -3.788 -8.974 5.799 1.00 0.00 N ATOM 631 CA HIS A 45 -4.159 -7.635 5.399 1.00 0.00 C ATOM 632 C HIS A 45 -5.600 -7.577 4.895 1.00 0.00 C ATOM 633 O HIS A 45 -5.938 -8.121 3.842 1.00 0.00 O ATOM 634 CB HIS A 45 -3.172 -7.146 4.335 1.00 0.00 C ATOM 635 CG HIS A 45 -1.842 -6.690 4.887 1.00 0.00 C ATOM 636 ND1 HIS A 45 -1.124 -7.196 5.953 1.00 0.00 N ATOM 637 CD2 HIS A 45 -1.182 -5.581 4.447 1.00 0.00 C ATOM 638 CE1 HIS A 45 -0.053 -6.403 6.128 1.00 0.00 C ATOM 639 NE2 HIS A 45 -0.061 -5.387 5.252 1.00 0.00 N ATOM 0 H HIS A 45 -3.012 -9.345 5.250 1.00 0.00 H new ATOM 0 HA HIS A 45 -4.110 -6.976 6.266 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -2.999 -7.950 3.619 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -3.626 -6.322 3.785 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -1.363 -8.020 6.505 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -1.478 -4.958 3.616 1.00 0.00 H new ATOM 0 HE1 HIS A 45 0.712 -6.562 6.874 1.00 0.00 H new ATOM 647 N LYS A 46 -6.449 -6.866 5.634 1.00 0.00 N ATOM 648 CA LYS A 46 -7.768 -6.437 5.181 1.00 0.00 C ATOM 649 C LYS A 46 -8.090 -5.110 5.862 1.00 0.00 C ATOM 650 O LYS A 46 -7.565 -4.819 6.941 1.00 0.00 O ATOM 651 CB LYS A 46 -8.810 -7.549 5.437 1.00 0.00 C ATOM 652 CG LYS A 46 -9.155 -7.787 6.917 1.00 0.00 C ATOM 653 CD LYS A 46 -10.479 -7.135 7.325 1.00 0.00 C ATOM 654 CE LYS A 46 -10.430 -6.694 8.790 1.00 0.00 C ATOM 655 NZ LYS A 46 -11.630 -5.915 9.154 1.00 0.00 N ATOM 0 H LYS A 46 -6.233 -6.566 6.585 1.00 0.00 H new ATOM 0 HA LYS A 46 -7.790 -6.269 4.104 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -9.726 -7.298 4.902 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.437 -8.481 5.012 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -9.209 -8.859 7.106 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -8.353 -7.393 7.541 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -10.679 -6.275 6.687 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -11.298 -7.839 7.178 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -10.353 -7.570 9.434 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -9.537 -6.093 8.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -11.627 -5.731 10.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -11.626 -5.011 8.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -12.483 -6.453 8.901 1.00 0.00 H new ATOM 669 N ILE A 47 -8.951 -4.302 5.247 1.00 0.00 N ATOM 670 CA ILE A 47 -9.323 -2.986 5.766 1.00 0.00 C ATOM 671 C ILE A 47 -9.982 -3.141 7.146 1.00 0.00 C ATOM 672 O ILE A 47 -10.932 -3.917 7.291 1.00 0.00 O ATOM 673 CB ILE A 47 -10.268 -2.286 4.768 1.00 0.00 C ATOM 674 CG1 ILE A 47 -9.708 -2.136 3.342 1.00 0.00 C ATOM 675 CG2 ILE A 47 -10.734 -0.915 5.292 1.00 0.00 C ATOM 676 CD1 ILE A 47 -8.502 -1.210 3.250 1.00 0.00 C ATOM 0 H ILE A 47 -9.413 -4.542 4.370 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.433 -2.368 5.884 1.00 0.00 H new ATOM 0 HB ILE A 47 -11.120 -2.961 4.691 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -9.428 -3.120 2.966 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -10.496 -1.758 2.690 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -11.398 -0.453 4.561 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -11.267 -1.047 6.234 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -9.868 -0.273 5.452 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -8.164 -1.155 2.215 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -8.781 -0.214 3.594 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -7.697 -1.598 3.874 1.00 0.00 H new ATOM 688 N GLY A 48 -9.509 -2.387 8.138 1.00 0.00 N ATOM 689 CA GLY A 48 -10.080 -2.262 9.476 1.00 0.00 C ATOM 690 C GLY A 48 -10.912 -0.990 9.646 1.00 0.00 C ATOM 691 O GLY A 48 -11.942 -1.027 10.317 1.00 0.00 O ATOM 0 H GLY A 48 -8.671 -1.817 8.022 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -10.705 -3.131 9.682 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.276 -2.266 10.212 1.00 0.00 H new ATOM 695 N ARG A 49 -10.505 0.125 9.028 1.00 0.00 N ATOM 696 CA ARG A 49 -11.214 1.407 9.082 1.00 0.00 C ATOM 697 C ARG A 49 -10.977 2.150 7.780 1.00 0.00 C ATOM 698 O ARG A 49 -9.908 2.012 7.179 1.00 0.00 O ATOM 699 CB ARG A 49 -10.706 2.212 10.306 1.00 0.00 C ATOM 700 CG ARG A 49 -11.091 3.704 10.320 1.00 0.00 C ATOM 701 CD ARG A 49 -10.694 4.432 11.617 1.00 0.00 C ATOM 702 NE ARG A 49 -11.867 4.742 12.448 1.00 0.00 N ATOM 703 CZ ARG A 49 -11.942 5.635 13.445 1.00 0.00 C ATOM 704 NH1 ARG A 49 -10.845 6.185 13.962 1.00 0.00 N ATOM 705 NH2 ARG A 49 -13.137 5.959 13.924 1.00 0.00 N ATOM 0 H ARG A 49 -9.655 0.161 8.465 1.00 0.00 H new ATOM 0 HA ARG A 49 -12.287 1.258 9.199 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -11.092 1.746 11.212 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.620 2.134 10.346 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -10.616 4.201 9.474 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -12.168 3.794 10.178 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -10.000 3.812 12.184 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.169 5.355 11.370 1.00 0.00 H new ATOM 0 HE ARG A 49 -12.719 4.219 12.243 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -9.927 5.929 13.600 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -10.923 6.863 14.720 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -13.976 5.531 13.534 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -13.216 6.636 14.683 1.00 0.00 H new ATOM 719 N ILE A 50 -11.936 2.989 7.402 1.00 0.00 N ATOM 720 CA ILE A 50 -11.815 4.010 6.379 1.00 0.00 C ATOM 721 C ILE A 50 -12.259 5.328 7.018 1.00 0.00 C ATOM 722 O ILE A 50 -13.178 5.356 7.835 1.00 0.00 O ATOM 723 CB ILE A 50 -12.617 3.564 5.136 1.00 0.00 C ATOM 724 CG1 ILE A 50 -11.710 2.643 4.290 1.00 0.00 C ATOM 725 CG2 ILE A 50 -13.138 4.730 4.280 1.00 0.00 C ATOM 726 CD1 ILE A 50 -12.467 1.887 3.193 1.00 0.00 C ATOM 0 H ILE A 50 -12.864 2.970 7.825 1.00 0.00 H new ATOM 0 HA ILE A 50 -10.798 4.160 6.016 1.00 0.00 H new ATOM 0 HB ILE A 50 -13.508 3.041 5.484 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -10.923 3.242 3.832 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -11.222 1.923 4.947 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -13.690 4.336 3.427 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -13.797 5.357 4.881 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -12.297 5.325 3.924 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -11.771 1.259 2.637 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -13.237 1.262 3.646 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -12.933 2.601 2.514 1.00 0.00 H new ATOM 738 N ILE A 51 -11.545 6.407 6.706 1.00 0.00 N ATOM 739 CA ILE A 51 -11.754 7.751 7.195 1.00 0.00 C ATOM 740 C ILE A 51 -12.863 8.388 6.355 1.00 0.00 C ATOM 741 O ILE A 51 -12.711 8.514 5.135 1.00 0.00 O ATOM 742 CB ILE A 51 -10.401 8.495 7.098 1.00 0.00 C ATOM 743 CG1 ILE A 51 -9.393 8.026 8.171 1.00 0.00 C ATOM 744 CG2 ILE A 51 -10.542 10.010 7.290 1.00 0.00 C ATOM 745 CD1 ILE A 51 -8.749 6.655 7.989 1.00 0.00 C ATOM 0 H ILE A 51 -10.756 6.353 6.062 1.00 0.00 H new ATOM 0 HA ILE A 51 -12.076 7.787 8.236 1.00 0.00 H new ATOM 0 HB ILE A 51 -10.044 8.264 6.095 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -8.595 8.766 8.228 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -9.902 8.032 9.135 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -9.561 10.479 7.212 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -11.200 10.414 6.521 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -10.965 10.214 8.274 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -8.066 6.461 8.816 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -9.524 5.889 7.971 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -8.196 6.634 7.050 1.00 0.00 H new ATOM 757 N ASP A 52 -13.938 8.820 7.015 1.00 0.00 N ATOM 758 CA ASP A 52 -15.040 9.575 6.419 1.00 0.00 C ATOM 759 C ASP A 52 -14.486 10.771 5.650 1.00 0.00 C ATOM 760 O ASP A 52 -13.688 11.549 6.191 1.00 0.00 O ATOM 761 CB ASP A 52 -16.012 10.070 7.505 1.00 0.00 C ATOM 762 CG ASP A 52 -17.188 9.119 7.745 1.00 0.00 C ATOM 763 OD1 ASP A 52 -17.066 7.895 7.549 1.00 0.00 O ATOM 764 OD2 ASP A 52 -18.247 9.589 8.234 1.00 0.00 O ATOM 0 H ASP A 52 -14.070 8.648 8.012 1.00 0.00 H new ATOM 0 HA ASP A 52 -15.581 8.917 5.739 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -15.465 10.203 8.439 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -16.398 11.049 7.219 1.00 0.00 H new ATOM 769 N GLY A 53 -14.903 10.904 4.391 1.00 0.00 N ATOM 770 CA GLY A 53 -14.604 12.029 3.517 1.00 0.00 C ATOM 771 C GLY A 53 -13.395 11.780 2.619 1.00 0.00 C ATOM 772 O GLY A 53 -13.168 12.544 1.682 1.00 0.00 O ATOM 0 H GLY A 53 -15.483 10.198 3.937 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -15.474 12.241 2.896 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -14.422 12.916 4.124 1.00 0.00 H new ATOM 776 N SER A 54 -12.605 10.734 2.873 1.00 0.00 N ATOM 777 CA SER A 54 -11.352 10.537 2.157 1.00 0.00 C ATOM 778 C SER A 54 -11.551 10.161 0.687 1.00 0.00 C ATOM 779 O SER A 54 -12.597 9.607 0.343 1.00 0.00 O ATOM 780 CB SER A 54 -10.543 9.442 2.841 1.00 0.00 C ATOM 781 OG SER A 54 -11.251 8.223 2.962 1.00 0.00 O ATOM 0 H SER A 54 -12.813 10.016 3.567 1.00 0.00 H new ATOM 0 HA SER A 54 -10.824 11.490 2.180 1.00 0.00 H new ATOM 0 HB2 SER A 54 -9.627 9.269 2.276 1.00 0.00 H new ATOM 0 HB3 SER A 54 -10.246 9.783 3.833 1.00 0.00 H new ATOM 0 HG SER A 54 -11.822 8.254 3.758 1.00 0.00 H new ATOM 787 N PRO A 55 -10.507 10.290 -0.155 1.00 0.00 N ATOM 788 CA PRO A 55 -10.494 9.680 -1.474 1.00 0.00 C ATOM 789 C PRO A 55 -10.703 8.162 -1.402 1.00 0.00 C ATOM 790 O PRO A 55 -11.349 7.610 -2.291 1.00 0.00 O ATOM 791 CB PRO A 55 -9.151 10.046 -2.119 1.00 0.00 C ATOM 792 CG PRO A 55 -8.305 10.710 -1.034 1.00 0.00 C ATOM 793 CD PRO A 55 -9.274 11.011 0.119 1.00 0.00 C ATOM 0 HA PRO A 55 -11.320 10.055 -2.078 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.654 9.157 -2.507 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -9.298 10.722 -2.962 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -7.500 10.052 -0.707 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.840 11.624 -1.404 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.848 10.696 1.072 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -9.463 12.082 0.193 1.00 0.00 H new ATOM 801 N ALA A 56 -10.195 7.472 -0.367 1.00 0.00 N ATOM 802 CA ALA A 56 -10.447 6.050 -0.188 1.00 0.00 C ATOM 803 C ALA A 56 -11.945 5.786 -0.036 1.00 0.00 C ATOM 804 O ALA A 56 -12.470 4.921 -0.737 1.00 0.00 O ATOM 805 CB ALA A 56 -9.660 5.510 1.011 1.00 0.00 C ATOM 0 H ALA A 56 -9.606 7.887 0.356 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.104 5.520 -1.077 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -9.861 4.445 1.129 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.594 5.661 0.844 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -9.965 6.039 1.914 1.00 0.00 H new ATOM 811 N ASP A 57 -12.617 6.534 0.840 1.00 0.00 N ATOM 812 CA ASP A 57 -14.050 6.426 1.082 1.00 0.00 C ATOM 813 C ASP A 57 -14.854 6.757 -0.177 1.00 0.00 C ATOM 814 O ASP A 57 -15.695 5.957 -0.588 1.00 0.00 O ATOM 815 CB ASP A 57 -14.422 7.354 2.240 1.00 0.00 C ATOM 816 CG ASP A 57 -15.899 7.243 2.601 1.00 0.00 C ATOM 817 OD1 ASP A 57 -16.430 6.123 2.719 1.00 0.00 O ATOM 818 OD2 ASP A 57 -16.514 8.312 2.846 1.00 0.00 O ATOM 0 H ASP A 57 -12.166 7.248 1.413 1.00 0.00 H new ATOM 0 HA ASP A 57 -14.296 5.398 1.348 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -13.815 7.109 3.112 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -14.190 8.384 1.969 1.00 0.00 H new ATOM 823 N ARG A 58 -14.551 7.889 -0.833 1.00 0.00 N ATOM 824 CA ARG A 58 -15.210 8.335 -2.060 1.00 0.00 C ATOM 825 C ARG A 58 -15.164 7.237 -3.114 1.00 0.00 C ATOM 826 O ARG A 58 -16.203 6.896 -3.679 1.00 0.00 O ATOM 827 CB ARG A 58 -14.528 9.598 -2.623 1.00 0.00 C ATOM 828 CG ARG A 58 -14.679 10.887 -1.805 1.00 0.00 C ATOM 829 CD ARG A 58 -16.073 11.514 -1.898 1.00 0.00 C ATOM 830 NE ARG A 58 -16.064 12.874 -1.330 1.00 0.00 N ATOM 831 CZ ARG A 58 -17.008 13.808 -1.484 1.00 0.00 C ATOM 832 NH1 ARG A 58 -18.193 13.533 -2.023 1.00 0.00 N ATOM 833 NH2 ARG A 58 -16.742 15.047 -1.104 1.00 0.00 N ATOM 0 H ARG A 58 -13.824 8.530 -0.514 1.00 0.00 H new ATOM 0 HA ARG A 58 -16.246 8.567 -1.815 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -13.464 9.389 -2.735 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -14.923 9.781 -3.622 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -14.456 10.672 -0.760 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -13.940 11.612 -2.146 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -16.394 11.550 -2.939 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -16.794 10.895 -1.364 1.00 0.00 H new ATOM 0 HE ARG A 58 -15.256 13.128 -0.762 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -18.404 12.585 -2.334 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -18.890 14.270 -2.125 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -15.832 15.273 -0.703 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -17.447 15.776 -1.212 1.00 0.00 H new ATOM 847 N CYS A 59 -13.966 6.716 -3.399 1.00 0.00 N ATOM 848 CA CYS A 59 -13.732 5.802 -4.511 1.00 0.00 C ATOM 849 C CYS A 59 -14.462 4.463 -4.368 1.00 0.00 C ATOM 850 O CYS A 59 -14.536 3.744 -5.368 1.00 0.00 O ATOM 851 CB CYS A 59 -12.226 5.561 -4.671 1.00 0.00 C ATOM 852 SG CYS A 59 -11.426 7.020 -5.387 1.00 0.00 S ATOM 0 H CYS A 59 -13.127 6.922 -2.857 1.00 0.00 H new ATOM 0 HA CYS A 59 -14.140 6.281 -5.401 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -11.782 5.334 -3.701 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -12.056 4.695 -5.310 1.00 0.00 H new ATOM 0 HG CYS A 59 -11.080 7.836 -4.436 1.00 0.00 H new ATOM 858 N ALA A 60 -14.982 4.137 -3.177 1.00 0.00 N ATOM 859 CA ALA A 60 -15.859 3.011 -2.866 1.00 0.00 C ATOM 860 C ALA A 60 -15.389 1.619 -3.321 1.00 0.00 C ATOM 861 O ALA A 60 -16.174 0.670 -3.268 1.00 0.00 O ATOM 862 CB ALA A 60 -17.266 3.326 -3.381 1.00 0.00 C ATOM 0 H ALA A 60 -14.783 4.697 -2.348 1.00 0.00 H new ATOM 0 HA ALA A 60 -15.842 2.919 -1.780 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -17.931 2.493 -3.155 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -17.637 4.229 -2.896 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -17.232 3.481 -4.459 1.00 0.00 H new ATOM 868 N LYS A 61 -14.143 1.452 -3.750 1.00 0.00 N ATOM 869 CA LYS A 61 -13.571 0.178 -4.178 1.00 0.00 C ATOM 870 C LYS A 61 -12.731 -0.468 -3.083 1.00 0.00 C ATOM 871 O LYS A 61 -12.321 -1.615 -3.237 1.00 0.00 O ATOM 872 CB LYS A 61 -12.803 0.373 -5.474 1.00 0.00 C ATOM 873 CG LYS A 61 -13.767 0.503 -6.662 1.00 0.00 C ATOM 874 CD LYS A 61 -13.155 -0.140 -7.900 1.00 0.00 C ATOM 875 CE LYS A 61 -13.289 -1.674 -7.870 1.00 0.00 C ATOM 876 NZ LYS A 61 -12.503 -2.318 -8.945 1.00 0.00 N ATOM 0 H LYS A 61 -13.480 2.225 -3.812 1.00 0.00 H new ATOM 0 HA LYS A 61 -14.382 -0.525 -4.371 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -12.182 1.266 -5.404 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -12.131 -0.470 -5.635 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -14.717 0.024 -6.425 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -13.980 1.554 -6.855 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -13.644 0.251 -8.792 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -12.102 0.132 -7.969 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -12.955 -2.049 -6.902 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -14.339 -1.949 -7.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -12.774 -3.319 -9.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -12.692 -1.838 -9.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -11.489 -2.250 -8.722 1.00 0.00 H new ATOM 890 N LEU A 62 -12.506 0.231 -1.971 1.00 0.00 N ATOM 891 CA LEU A 62 -12.212 -0.388 -0.689 1.00 0.00 C ATOM 892 C LEU A 62 -13.471 -0.275 0.160 1.00 0.00 C ATOM 893 O LEU A 62 -14.172 0.739 0.111 1.00 0.00 O ATOM 894 CB LEU A 62 -11.053 0.325 0.023 1.00 0.00 C ATOM 895 CG LEU A 62 -9.691 0.217 -0.680 1.00 0.00 C ATOM 896 CD1 LEU A 62 -8.672 1.026 0.122 1.00 0.00 C ATOM 897 CD2 LEU A 62 -9.211 -1.232 -0.834 1.00 0.00 C ATOM 0 H LEU A 62 -12.524 1.250 -1.939 1.00 0.00 H new ATOM 0 HA LEU A 62 -11.917 -1.426 -0.839 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -11.307 1.380 0.130 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -10.959 -0.084 1.029 1.00 0.00 H new ATOM 0 HG LEU A 62 -9.798 0.612 -1.690 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.697 0.963 -0.360 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -8.988 2.068 0.166 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.603 0.625 1.133 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.244 -1.243 -1.337 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -9.113 -1.689 0.151 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.934 -1.794 -1.425 1.00 0.00 H new ATOM 909 N LYS A 63 -13.750 -1.307 0.948 1.00 0.00 N ATOM 910 CA LYS A 63 -14.622 -1.269 2.115 1.00 0.00 C ATOM 911 C LYS A 63 -14.038 -2.128 3.231 1.00 0.00 C ATOM 912 O LYS A 63 -13.068 -2.861 3.019 1.00 0.00 O ATOM 913 CB LYS A 63 -16.071 -1.596 1.739 1.00 0.00 C ATOM 914 CG LYS A 63 -16.289 -2.830 0.848 1.00 0.00 C ATOM 915 CD LYS A 63 -17.679 -2.834 0.212 1.00 0.00 C ATOM 916 CE LYS A 63 -18.796 -2.869 1.253 1.00 0.00 C ATOM 917 NZ LYS A 63 -20.079 -2.436 0.681 1.00 0.00 N ATOM 0 H LYS A 63 -13.357 -2.234 0.783 1.00 0.00 H new ATOM 0 HA LYS A 63 -14.667 -0.255 2.512 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -16.639 -1.735 2.659 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -16.495 -0.730 1.231 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -15.531 -2.851 0.065 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -16.159 -3.735 1.442 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -17.793 -1.946 -0.410 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -17.772 -3.698 -0.446 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -18.895 -3.880 1.648 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -18.534 -2.224 2.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -20.816 -2.472 1.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -19.990 -1.462 0.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -20.340 -3.067 -0.103 1.00 0.00 H new ATOM 931 N VAL A 64 -14.590 -2.041 4.437 1.00 0.00 N ATOM 932 CA VAL A 64 -14.036 -2.700 5.613 1.00 0.00 C ATOM 933 C VAL A 64 -14.301 -4.203 5.514 1.00 0.00 C ATOM 934 O VAL A 64 -15.440 -4.647 5.632 1.00 0.00 O ATOM 935 CB VAL A 64 -14.584 -2.043 6.892 1.00 0.00 C ATOM 936 CG1 VAL A 64 -13.931 -2.657 8.138 1.00 0.00 C ATOM 937 CG2 VAL A 64 -14.284 -0.533 6.852 1.00 0.00 C ATOM 0 H VAL A 64 -15.439 -1.508 4.626 1.00 0.00 H new ATOM 0 HA VAL A 64 -12.954 -2.577 5.661 1.00 0.00 H new ATOM 0 HB VAL A 64 -15.660 -2.212 6.942 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -14.332 -2.179 9.032 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -14.144 -3.725 8.171 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -12.853 -2.503 8.097 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -14.670 -0.061 7.756 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -13.207 -0.378 6.793 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -14.763 -0.090 5.979 1.00 0.00 H new ATOM 947 N GLY A 65 -13.263 -5.014 5.283 1.00 0.00 N ATOM 948 CA GLY A 65 -13.411 -6.431 4.986 1.00 0.00 C ATOM 949 C GLY A 65 -12.824 -6.759 3.623 1.00 0.00 C ATOM 950 O GLY A 65 -12.713 -7.937 3.292 1.00 0.00 O ATOM 0 H GLY A 65 -12.293 -4.698 5.298 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -12.912 -7.022 5.754 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -14.466 -6.704 5.008 1.00 0.00 H new ATOM 954 N ASP A 66 -12.421 -5.747 2.844 1.00 0.00 N ATOM 955 CA ASP A 66 -11.704 -5.968 1.600 1.00 0.00 C ATOM 956 C ASP A 66 -10.286 -6.381 1.966 1.00 0.00 C ATOM 957 O ASP A 66 -9.468 -5.581 2.426 1.00 0.00 O ATOM 958 CB ASP A 66 -11.799 -4.778 0.627 1.00 0.00 C ATOM 959 CG ASP A 66 -13.186 -4.665 -0.027 1.00 0.00 C ATOM 960 OD1 ASP A 66 -14.066 -5.513 0.269 1.00 0.00 O ATOM 961 OD2 ASP A 66 -13.412 -3.741 -0.832 1.00 0.00 O ATOM 0 H ASP A 66 -12.585 -4.764 3.063 1.00 0.00 H new ATOM 0 HA ASP A 66 -12.167 -6.772 1.028 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -11.577 -3.855 1.163 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -11.042 -4.886 -0.150 1.00 0.00 H new ATOM 966 N ARG A 67 -10.056 -7.685 1.869 1.00 0.00 N ATOM 967 CA ARG A 67 -8.770 -8.370 1.834 1.00 0.00 C ATOM 968 C ARG A 67 -7.903 -7.709 0.778 1.00 0.00 C ATOM 969 O ARG A 67 -8.283 -7.684 -0.394 1.00 0.00 O ATOM 970 CB ARG A 67 -9.006 -9.851 1.484 1.00 0.00 C ATOM 971 CG ARG A 67 -9.837 -10.531 2.577 1.00 0.00 C ATOM 972 CD ARG A 67 -10.247 -11.979 2.258 1.00 0.00 C ATOM 973 NE ARG A 67 -11.499 -12.062 1.485 1.00 0.00 N ATOM 974 CZ ARG A 67 -12.733 -11.792 1.939 1.00 0.00 C ATOM 975 NH1 ARG A 67 -12.941 -11.336 3.172 1.00 0.00 N ATOM 976 NH2 ARG A 67 -13.794 -11.985 1.166 1.00 0.00 N ATOM 0 H ARG A 67 -10.830 -8.346 1.808 1.00 0.00 H new ATOM 0 HA ARG A 67 -8.271 -8.310 2.801 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -9.521 -9.928 0.526 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -8.050 -10.362 1.374 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -9.267 -10.524 3.506 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -10.737 -9.942 2.751 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -9.447 -12.463 1.698 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -10.364 -12.532 3.190 1.00 0.00 H new ATOM 0 HE ARG A 67 -11.420 -12.353 0.511 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -12.151 -11.183 3.799 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -13.890 -11.139 3.490 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -13.676 -12.342 0.218 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -14.728 -11.777 1.520 1.00 0.00 H new ATOM 990 N ILE A 68 -6.742 -7.200 1.175 1.00 0.00 N ATOM 991 CA ILE A 68 -5.765 -6.641 0.257 1.00 0.00 C ATOM 992 C ILE A 68 -4.662 -7.687 0.173 1.00 0.00 C ATOM 993 O ILE A 68 -3.923 -7.878 1.132 1.00 0.00 O ATOM 994 CB ILE A 68 -5.249 -5.257 0.730 1.00 0.00 C ATOM 995 CG1 ILE A 68 -6.379 -4.208 0.779 1.00 0.00 C ATOM 996 CG2 ILE A 68 -4.162 -4.745 -0.240 1.00 0.00 C ATOM 997 CD1 ILE A 68 -6.019 -2.980 1.626 1.00 0.00 C ATOM 0 H ILE A 68 -6.453 -7.165 2.153 1.00 0.00 H new ATOM 0 HA ILE A 68 -6.193 -6.441 -0.725 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.846 -5.390 1.734 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.614 -3.887 -0.236 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -7.280 -4.670 1.183 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.803 -3.773 0.097 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.332 -5.451 -0.261 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.583 -4.650 -1.241 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -6.853 -2.278 1.622 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -5.812 -3.292 2.650 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -5.136 -2.496 1.209 1.00 0.00 H new ATOM 1009 N LEU A 69 -4.570 -8.407 -0.943 1.00 0.00 N ATOM 1010 CA LEU A 69 -3.572 -9.446 -1.133 1.00 0.00 C ATOM 1011 C LEU A 69 -2.217 -8.874 -1.527 1.00 0.00 C ATOM 1012 O LEU A 69 -1.192 -9.544 -1.416 1.00 0.00 O ATOM 1013 CB LEU A 69 -3.998 -10.371 -2.275 1.00 0.00 C ATOM 1014 CG LEU A 69 -5.455 -10.858 -2.311 1.00 0.00 C ATOM 1015 CD1 LEU A 69 -6.055 -11.164 -0.930 1.00 0.00 C ATOM 1016 CD2 LEU A 69 -6.303 -9.885 -3.145 1.00 0.00 C ATOM 0 H LEU A 69 -5.191 -8.282 -1.742 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.490 -9.974 -0.183 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.796 -9.855 -3.214 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.354 -11.250 -2.249 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.463 -11.831 -2.803 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.085 -11.501 -1.047 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.470 -11.945 -0.444 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.036 -10.263 -0.317 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -7.336 -10.232 -3.170 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.264 -8.892 -2.697 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.911 -9.840 -4.161 1.00 0.00 H new ATOM 1028 N ALA A 70 -2.254 -7.703 -2.154 1.00 0.00 N ATOM 1029 CA ALA A 70 -1.143 -7.104 -2.869 1.00 0.00 C ATOM 1030 C ALA A 70 -1.311 -5.590 -2.988 1.00 0.00 C ATOM 1031 O ALA A 70 -2.434 -5.085 -2.968 1.00 0.00 O ATOM 1032 CB ALA A 70 -1.064 -7.759 -4.254 1.00 0.00 C ATOM 0 H ALA A 70 -3.095 -7.126 -2.176 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.216 -7.274 -2.321 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.235 -7.326 -4.814 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.905 -8.831 -4.141 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.996 -7.585 -4.792 1.00 0.00 H new ATOM 1038 N VAL A 71 -0.191 -4.883 -3.148 1.00 0.00 N ATOM 1039 CA VAL A 71 -0.084 -3.443 -3.358 1.00 0.00 C ATOM 1040 C VAL A 71 1.021 -3.271 -4.392 1.00 0.00 C ATOM 1041 O VAL A 71 2.078 -3.877 -4.213 1.00 0.00 O ATOM 1042 CB VAL A 71 0.305 -2.726 -2.045 1.00 0.00 C ATOM 1043 CG1 VAL A 71 0.347 -1.199 -2.215 1.00 0.00 C ATOM 1044 CG2 VAL A 71 -0.657 -3.059 -0.899 1.00 0.00 C ATOM 0 H VAL A 71 0.724 -5.333 -3.133 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.030 -3.014 -3.687 1.00 0.00 H new ATOM 0 HB VAL A 71 1.301 -3.091 -1.797 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.624 -0.735 -1.268 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.082 -0.938 -2.976 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -0.636 -0.840 -2.521 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.344 -2.533 0.003 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.666 -2.748 -1.169 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.646 -4.133 -0.715 1.00 0.00 H new ATOM 1054 N ASN A 72 0.790 -2.464 -5.436 1.00 0.00 N ATOM 1055 CA ASN A 72 1.788 -2.117 -6.461 1.00 0.00 C ATOM 1056 C ASN A 72 2.564 -3.350 -6.970 1.00 0.00 C ATOM 1057 O ASN A 72 3.759 -3.279 -7.237 1.00 0.00 O ATOM 1058 CB ASN A 72 2.684 -0.958 -5.961 1.00 0.00 C ATOM 1059 CG ASN A 72 2.190 0.404 -6.422 1.00 0.00 C ATOM 1060 OD1 ASN A 72 2.354 0.748 -7.581 1.00 0.00 O ATOM 1061 ND2 ASN A 72 1.633 1.249 -5.574 1.00 0.00 N ATOM 0 H ASN A 72 -0.116 -2.023 -5.597 1.00 0.00 H new ATOM 0 HA ASN A 72 1.269 -1.750 -7.347 1.00 0.00 H new ATOM 0 HB2 ASN A 72 2.722 -0.977 -4.872 1.00 0.00 H new ATOM 0 HB3 ASN A 72 3.702 -1.111 -6.318 1.00 0.00 H new ATOM 0 HD21 ASN A 72 1.346 2.175 -5.891 1.00 0.00 H new ATOM 0 HD22 ASN A 72 1.489 0.976 -4.602 1.00 0.00 H new ATOM 1068 N GLY A 73 1.893 -4.506 -7.056 1.00 0.00 N ATOM 1069 CA GLY A 73 2.476 -5.765 -7.502 1.00 0.00 C ATOM 1070 C GLY A 73 3.712 -6.205 -6.705 1.00 0.00 C ATOM 1071 O GLY A 73 4.545 -6.923 -7.261 1.00 0.00 O ATOM 0 H GLY A 73 0.906 -4.587 -6.810 1.00 0.00 H new ATOM 0 HA2 GLY A 73 1.719 -6.546 -7.437 1.00 0.00 H new ATOM 0 HA3 GLY A 73 2.749 -5.673 -8.553 1.00 0.00 H new ATOM 1075 N GLN A 74 3.859 -5.796 -5.444 1.00 0.00 N ATOM 1076 CA GLN A 74 4.999 -6.035 -4.562 1.00 0.00 C ATOM 1077 C GLN A 74 4.462 -6.766 -3.318 1.00 0.00 C ATOM 1078 O GLN A 74 3.690 -6.197 -2.547 1.00 0.00 O ATOM 1079 CB GLN A 74 5.617 -4.655 -4.275 1.00 0.00 C ATOM 1080 CG GLN A 74 6.605 -4.607 -3.111 1.00 0.00 C ATOM 1081 CD GLN A 74 7.797 -5.533 -3.302 1.00 0.00 C ATOM 1082 OE1 GLN A 74 8.586 -5.368 -4.228 1.00 0.00 O ATOM 1083 NE2 GLN A 74 7.965 -6.534 -2.459 1.00 0.00 N ATOM 0 H GLN A 74 3.132 -5.250 -4.981 1.00 0.00 H new ATOM 0 HA GLN A 74 5.782 -6.665 -4.983 1.00 0.00 H new ATOM 0 HB2 GLN A 74 6.126 -4.310 -5.175 1.00 0.00 H new ATOM 0 HB3 GLN A 74 4.811 -3.950 -4.074 1.00 0.00 H new ATOM 0 HG2 GLN A 74 6.963 -3.585 -2.988 1.00 0.00 H new ATOM 0 HG3 GLN A 74 6.087 -4.877 -2.191 1.00 0.00 H new ATOM 0 HE21 GLN A 74 7.308 -6.669 -1.690 1.00 0.00 H new ATOM 0 HE22 GLN A 74 8.752 -7.173 -2.576 1.00 0.00 H new ATOM 1092 N SER A 75 4.699 -8.073 -3.199 1.00 0.00 N ATOM 1093 CA SER A 75 3.877 -9.011 -2.423 1.00 0.00 C ATOM 1094 C SER A 75 3.877 -8.751 -0.907 1.00 0.00 C ATOM 1095 O SER A 75 4.805 -9.153 -0.205 1.00 0.00 O ATOM 1096 CB SER A 75 4.359 -10.433 -2.723 1.00 0.00 C ATOM 1097 OG SER A 75 5.740 -10.587 -2.477 1.00 0.00 O ATOM 0 H SER A 75 5.493 -8.525 -3.653 1.00 0.00 H new ATOM 0 HA SER A 75 2.842 -8.868 -2.732 1.00 0.00 H new ATOM 0 HB2 SER A 75 3.801 -11.141 -2.111 1.00 0.00 H new ATOM 0 HB3 SER A 75 4.147 -10.675 -3.764 1.00 0.00 H new ATOM 0 HG SER A 75 5.978 -10.125 -1.646 1.00 0.00 H new ATOM 1103 N ILE A 76 2.808 -8.160 -0.379 1.00 0.00 N ATOM 1104 CA ILE A 76 2.703 -7.747 1.022 1.00 0.00 C ATOM 1105 C ILE A 76 2.502 -8.925 1.993 1.00 0.00 C ATOM 1106 O ILE A 76 2.463 -8.742 3.207 1.00 0.00 O ATOM 1107 CB ILE A 76 1.594 -6.681 1.147 1.00 0.00 C ATOM 1108 CG1 ILE A 76 0.182 -7.293 1.027 1.00 0.00 C ATOM 1109 CG2 ILE A 76 1.832 -5.539 0.137 1.00 0.00 C ATOM 1110 CD1 ILE A 76 -0.934 -6.263 1.095 1.00 0.00 C ATOM 0 H ILE A 76 1.971 -7.949 -0.923 1.00 0.00 H new ATOM 0 HA ILE A 76 3.656 -7.310 1.322 1.00 0.00 H new ATOM 0 HB ILE A 76 1.646 -6.254 2.148 1.00 0.00 H new ATOM 0 HG12 ILE A 76 0.109 -7.835 0.084 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.042 -8.022 1.825 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.042 -4.795 0.237 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.797 -5.073 0.336 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.825 -5.942 -0.876 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.898 -6.764 1.004 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.887 -5.738 2.049 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.819 -5.548 0.281 1.00 0.00 H new ATOM 1122 N ILE A 77 2.343 -10.141 1.468 1.00 0.00 N ATOM 1123 CA ILE A 77 2.116 -11.360 2.239 1.00 0.00 C ATOM 1124 C ILE A 77 3.390 -11.792 2.994 1.00 0.00 C ATOM 1125 O ILE A 77 3.288 -12.506 3.991 1.00 0.00 O ATOM 1126 CB ILE A 77 1.580 -12.439 1.263 1.00 0.00 C ATOM 1127 CG1 ILE A 77 0.292 -11.977 0.534 1.00 0.00 C ATOM 1128 CG2 ILE A 77 1.341 -13.799 1.936 1.00 0.00 C ATOM 1129 CD1 ILE A 77 -0.900 -11.631 1.442 1.00 0.00 C ATOM 0 H ILE A 77 2.370 -10.308 0.462 1.00 0.00 H new ATOM 0 HA ILE A 77 1.373 -11.195 3.020 1.00 0.00 H new ATOM 0 HB ILE A 77 2.371 -12.573 0.525 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.532 -11.101 -0.069 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.016 -12.764 -0.155 1.00 0.00 H new ATOM 0 HG21 ILE A 77 0.966 -14.509 1.199 1.00 0.00 H new ATOM 0 HG22 ILE A 77 2.278 -14.169 2.352 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.609 -13.686 2.735 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.746 -11.321 0.829 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -1.178 -12.508 2.027 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -0.622 -10.819 2.114 1.00 0.00 H new ATOM 1141 N ASN A 78 4.574 -11.346 2.563 1.00 0.00 N ATOM 1142 CA ASN A 78 5.874 -11.727 3.133 1.00 0.00 C ATOM 1143 C ASN A 78 6.623 -10.540 3.706 1.00 0.00 C ATOM 1144 O ASN A 78 7.418 -10.719 4.626 1.00 0.00 O ATOM 1145 CB ASN A 78 6.782 -12.392 2.089 1.00 0.00 C ATOM 1146 CG ASN A 78 6.682 -11.781 0.705 1.00 0.00 C ATOM 1147 OD1 ASN A 78 7.391 -10.836 0.366 1.00 0.00 O ATOM 1148 ND2 ASN A 78 5.757 -12.291 -0.090 1.00 0.00 N ATOM 0 H ASN A 78 4.659 -10.691 1.786 1.00 0.00 H new ATOM 0 HA ASN A 78 5.641 -12.432 3.931 1.00 0.00 H new ATOM 0 HB2 ASN A 78 7.816 -12.329 2.429 1.00 0.00 H new ATOM 0 HB3 ASN A 78 6.531 -13.451 2.026 1.00 0.00 H new ATOM 0 HD21 ASN A 78 5.612 -11.900 -1.021 1.00 0.00 H new ATOM 0 HD22 ASN A 78 5.188 -13.076 0.227 1.00 0.00 H new ATOM 1155 N MET A 79 6.402 -9.347 3.168 1.00 0.00 N ATOM 1156 CA MET A 79 7.072 -8.156 3.668 1.00 0.00 C ATOM 1157 C MET A 79 6.741 -7.906 5.145 1.00 0.00 C ATOM 1158 O MET A 79 5.639 -8.233 5.609 1.00 0.00 O ATOM 1159 CB MET A 79 6.652 -6.930 2.861 1.00 0.00 C ATOM 1160 CG MET A 79 7.382 -6.828 1.530 1.00 0.00 C ATOM 1161 SD MET A 79 6.298 -6.240 0.215 1.00 0.00 S ATOM 1162 CE MET A 79 6.208 -4.494 0.663 1.00 0.00 C ATOM 0 H MET A 79 5.766 -9.180 2.388 1.00 0.00 H new ATOM 0 HA MET A 79 8.144 -8.322 3.566 1.00 0.00 H new ATOM 0 HB2 MET A 79 5.578 -6.969 2.680 1.00 0.00 H new ATOM 0 HB3 MET A 79 6.844 -6.031 3.446 1.00 0.00 H new ATOM 0 HG2 MET A 79 8.230 -6.151 1.632 1.00 0.00 H new ATOM 0 HG3 MET A 79 7.784 -7.805 1.260 1.00 0.00 H new ATOM 0 HE1 MET A 79 5.203 -4.119 0.467 1.00 0.00 H new ATOM 0 HE2 MET A 79 6.439 -4.378 1.722 1.00 0.00 H new ATOM 0 HE3 MET A 79 6.928 -3.929 0.071 1.00 0.00 H new ATOM 1172 N PRO A 80 7.658 -7.264 5.882 1.00 0.00 N ATOM 1173 CA PRO A 80 7.361 -6.758 7.206 1.00 0.00 C ATOM 1174 C PRO A 80 6.348 -5.616 7.122 1.00 0.00 C ATOM 1175 O PRO A 80 6.313 -4.852 6.154 1.00 0.00 O ATOM 1176 CB PRO A 80 8.706 -6.349 7.801 1.00 0.00 C ATOM 1177 CG PRO A 80 9.586 -6.064 6.583 1.00 0.00 C ATOM 1178 CD PRO A 80 9.028 -6.973 5.492 1.00 0.00 C ATOM 0 HA PRO A 80 6.889 -7.499 7.851 1.00 0.00 H new ATOM 0 HB2 PRO A 80 8.609 -5.469 8.436 1.00 0.00 H new ATOM 0 HB3 PRO A 80 9.126 -7.143 8.418 1.00 0.00 H new ATOM 0 HG2 PRO A 80 9.534 -5.015 6.292 1.00 0.00 H new ATOM 0 HG3 PRO A 80 10.633 -6.286 6.788 1.00 0.00 H new ATOM 0 HD2 PRO A 80 9.062 -6.483 4.519 1.00 0.00 H new ATOM 0 HD3 PRO A 80 9.614 -7.888 5.408 1.00 0.00 H new ATOM 1186 N HIS A 81 5.519 -5.485 8.157 1.00 0.00 N ATOM 1187 CA HIS A 81 4.397 -4.553 8.157 1.00 0.00 C ATOM 1188 C HIS A 81 4.845 -3.098 7.985 1.00 0.00 C ATOM 1189 O HIS A 81 4.097 -2.281 7.444 1.00 0.00 O ATOM 1190 CB HIS A 81 3.576 -4.731 9.441 1.00 0.00 C ATOM 1191 CG HIS A 81 2.092 -4.590 9.217 1.00 0.00 C ATOM 1192 ND1 HIS A 81 1.454 -3.623 8.474 1.00 0.00 N ATOM 1193 CD2 HIS A 81 1.140 -5.455 9.684 1.00 0.00 C ATOM 1194 CE1 HIS A 81 0.136 -3.901 8.497 1.00 0.00 C ATOM 1195 NE2 HIS A 81 -0.103 -5.006 9.230 1.00 0.00 N ATOM 0 H HIS A 81 5.608 -6.023 9.019 1.00 0.00 H new ATOM 0 HA HIS A 81 3.771 -4.785 7.295 1.00 0.00 H new ATOM 0 HB2 HIS A 81 3.782 -5.714 9.864 1.00 0.00 H new ATOM 0 HB3 HIS A 81 3.898 -3.994 10.177 1.00 0.00 H new ATOM 0 HD1 HIS A 81 1.898 -2.840 7.994 1.00 0.00 H new ATOM 0 HD2 HIS A 81 1.318 -6.328 10.294 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -0.624 -3.319 7.997 1.00 0.00 H new ATOM 1203 N ALA A 82 6.043 -2.754 8.463 1.00 0.00 N ATOM 1204 CA ALA A 82 6.630 -1.434 8.295 1.00 0.00 C ATOM 1205 C ALA A 82 7.039 -1.164 6.846 1.00 0.00 C ATOM 1206 O ALA A 82 6.901 -0.025 6.397 1.00 0.00 O ATOM 1207 CB ALA A 82 7.833 -1.315 9.231 1.00 0.00 C ATOM 0 H ALA A 82 6.637 -3.399 8.985 1.00 0.00 H new ATOM 0 HA ALA A 82 5.882 -0.683 8.548 1.00 0.00 H new ATOM 0 HB1 ALA A 82 8.286 -0.330 9.118 1.00 0.00 H new ATOM 0 HB2 ALA A 82 7.506 -1.448 10.262 1.00 0.00 H new ATOM 0 HB3 ALA A 82 8.566 -2.082 8.981 1.00 0.00 H new ATOM 1213 N ASP A 83 7.507 -2.180 6.113 1.00 0.00 N ATOM 1214 CA ASP A 83 7.941 -2.029 4.724 1.00 0.00 C ATOM 1215 C ASP A 83 6.739 -1.696 3.858 1.00 0.00 C ATOM 1216 O ASP A 83 6.817 -0.794 3.032 1.00 0.00 O ATOM 1217 CB ASP A 83 8.602 -3.306 4.168 1.00 0.00 C ATOM 1218 CG ASP A 83 10.131 -3.289 4.217 1.00 0.00 C ATOM 1219 OD1 ASP A 83 10.694 -2.612 5.108 1.00 0.00 O ATOM 1220 OD2 ASP A 83 10.738 -3.945 3.341 1.00 0.00 O ATOM 0 H ASP A 83 7.595 -3.132 6.469 1.00 0.00 H new ATOM 0 HA ASP A 83 8.681 -1.229 4.703 1.00 0.00 H new ATOM 0 HB2 ASP A 83 8.240 -4.165 4.733 1.00 0.00 H new ATOM 0 HB3 ASP A 83 8.284 -3.447 3.135 1.00 0.00 H new ATOM 1225 N ILE A 84 5.631 -2.413 4.057 1.00 0.00 N ATOM 1226 CA ILE A 84 4.368 -2.243 3.340 1.00 0.00 C ATOM 1227 C ILE A 84 3.798 -0.852 3.655 1.00 0.00 C ATOM 1228 O ILE A 84 3.299 -0.182 2.755 1.00 0.00 O ATOM 1229 CB ILE A 84 3.393 -3.365 3.775 1.00 0.00 C ATOM 1230 CG1 ILE A 84 3.969 -4.769 3.473 1.00 0.00 C ATOM 1231 CG2 ILE A 84 2.024 -3.201 3.088 1.00 0.00 C ATOM 1232 CD1 ILE A 84 3.389 -5.860 4.378 1.00 0.00 C ATOM 0 H ILE A 84 5.589 -3.159 4.752 1.00 0.00 H new ATOM 0 HA ILE A 84 4.519 -2.315 2.263 1.00 0.00 H new ATOM 0 HB ILE A 84 3.261 -3.276 4.853 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.767 -5.022 2.432 1.00 0.00 H new ATOM 0 HG13 ILE A 84 5.052 -4.745 3.591 1.00 0.00 H new ATOM 0 HG21 ILE A 84 1.357 -4.001 3.410 1.00 0.00 H new ATOM 0 HG22 ILE A 84 1.593 -2.238 3.361 1.00 0.00 H new ATOM 0 HG23 ILE A 84 2.152 -3.248 2.007 1.00 0.00 H new ATOM 0 HD11 ILE A 84 3.831 -6.822 4.118 1.00 0.00 H new ATOM 0 HD12 ILE A 84 3.614 -5.627 5.419 1.00 0.00 H new ATOM 0 HD13 ILE A 84 2.309 -5.909 4.242 1.00 0.00 H new ATOM 1244 N VAL A 85 3.874 -0.384 4.906 1.00 0.00 N ATOM 1245 CA VAL A 85 3.483 0.977 5.256 1.00 0.00 C ATOM 1246 C VAL A 85 4.316 1.974 4.449 1.00 0.00 C ATOM 1247 O VAL A 85 3.742 2.833 3.776 1.00 0.00 O ATOM 1248 CB VAL A 85 3.531 1.143 6.783 1.00 0.00 C ATOM 1249 CG1 VAL A 85 3.625 2.598 7.249 1.00 0.00 C ATOM 1250 CG2 VAL A 85 2.292 0.493 7.421 1.00 0.00 C ATOM 0 H VAL A 85 4.206 -0.937 5.696 1.00 0.00 H new ATOM 0 HA VAL A 85 2.450 1.189 4.979 1.00 0.00 H new ATOM 0 HB VAL A 85 4.446 0.648 7.107 1.00 0.00 H new ATOM 0 HG11 VAL A 85 3.654 2.630 8.338 1.00 0.00 H new ATOM 0 HG12 VAL A 85 4.532 3.051 6.848 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.756 3.151 6.893 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.334 0.615 8.503 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.391 0.971 7.036 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.271 -0.569 7.176 1.00 0.00 H new ATOM 1260 N LYS A 86 5.646 1.835 4.451 1.00 0.00 N ATOM 1261 CA LYS A 86 6.515 2.681 3.656 1.00 0.00 C ATOM 1262 C LYS A 86 6.134 2.664 2.188 1.00 0.00 C ATOM 1263 O LYS A 86 6.042 3.735 1.597 1.00 0.00 O ATOM 1264 CB LYS A 86 7.982 2.255 3.873 1.00 0.00 C ATOM 1265 CG LYS A 86 8.867 3.491 3.973 1.00 0.00 C ATOM 1266 CD LYS A 86 8.883 4.097 5.383 1.00 0.00 C ATOM 1267 CE LYS A 86 10.196 3.839 6.125 1.00 0.00 C ATOM 1268 NZ LYS A 86 11.316 4.583 5.522 1.00 0.00 N ATOM 0 H LYS A 86 6.139 1.134 5.004 1.00 0.00 H new ATOM 0 HA LYS A 86 6.396 3.713 3.987 1.00 0.00 H new ATOM 0 HB2 LYS A 86 8.067 1.660 4.783 1.00 0.00 H new ATOM 0 HB3 LYS A 86 8.313 1.625 3.048 1.00 0.00 H new ATOM 0 HG2 LYS A 86 9.885 3.228 3.684 1.00 0.00 H new ATOM 0 HG3 LYS A 86 8.517 4.241 3.264 1.00 0.00 H new ATOM 0 HD2 LYS A 86 8.716 5.172 5.313 1.00 0.00 H new ATOM 0 HD3 LYS A 86 8.057 3.683 5.961 1.00 0.00 H new ATOM 0 HE2 LYS A 86 10.087 4.129 7.170 1.00 0.00 H new ATOM 0 HE3 LYS A 86 10.418 2.772 6.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 12.115 4.608 6.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 11.612 4.112 4.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 11.013 5.555 5.309 1.00 0.00 H new ATOM 1282 N LEU A 87 5.863 1.485 1.642 1.00 0.00 N ATOM 1283 CA LEU A 87 5.409 1.230 0.288 1.00 0.00 C ATOM 1284 C LEU A 87 4.175 2.054 -0.034 1.00 0.00 C ATOM 1285 O LEU A 87 4.120 2.664 -1.093 1.00 0.00 O ATOM 1286 CB LEU A 87 5.077 -0.271 0.202 1.00 0.00 C ATOM 1287 CG LEU A 87 5.811 -1.138 -0.817 1.00 0.00 C ATOM 1288 CD1 LEU A 87 4.961 -1.284 -2.069 1.00 0.00 C ATOM 1289 CD2 LEU A 87 7.266 -0.750 -1.075 1.00 0.00 C ATOM 0 H LEU A 87 5.963 0.622 2.176 1.00 0.00 H new ATOM 0 HA LEU A 87 6.181 1.507 -0.430 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.252 -0.703 1.187 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.010 -0.360 0.000 1.00 0.00 H new ATOM 0 HG LEU A 87 5.930 -2.127 -0.375 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.487 -1.903 -2.796 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.012 -1.753 -1.811 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.774 -0.300 -2.499 1.00 0.00 H new ATOM 0 HD21 LEU A 87 7.697 -1.426 -1.813 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.309 0.272 -1.451 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.831 -0.819 -0.146 1.00 0.00 H new ATOM 1301 N ILE A 88 3.172 2.097 0.843 1.00 0.00 N ATOM 1302 CA ILE A 88 1.932 2.810 0.561 1.00 0.00 C ATOM 1303 C ILE A 88 2.244 4.302 0.577 1.00 0.00 C ATOM 1304 O ILE A 88 1.744 5.049 -0.265 1.00 0.00 O ATOM 1305 CB ILE A 88 0.884 2.430 1.620 1.00 0.00 C ATOM 1306 CG1 ILE A 88 0.502 0.936 1.496 1.00 0.00 C ATOM 1307 CG2 ILE A 88 -0.384 3.286 1.493 1.00 0.00 C ATOM 1308 CD1 ILE A 88 -0.115 0.359 2.775 1.00 0.00 C ATOM 0 H ILE A 88 3.197 1.644 1.757 1.00 0.00 H new ATOM 0 HA ILE A 88 1.524 2.545 -0.414 1.00 0.00 H new ATOM 0 HB ILE A 88 1.333 2.615 2.596 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.204 0.816 0.674 1.00 0.00 H new ATOM 0 HG13 ILE A 88 1.392 0.361 1.239 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -1.102 2.989 2.258 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -0.128 4.337 1.625 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.824 3.140 0.506 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.359 -0.692 2.619 1.00 0.00 H new ATOM 0 HD12 ILE A 88 0.598 0.448 3.595 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.023 0.910 3.022 1.00 0.00 H new ATOM 1320 N LYS A 89 3.088 4.740 1.515 1.00 0.00 N ATOM 1321 CA LYS A 89 3.502 6.115 1.619 1.00 0.00 C ATOM 1322 C LYS A 89 4.281 6.543 0.375 1.00 0.00 C ATOM 1323 O LYS A 89 4.047 7.629 -0.158 1.00 0.00 O ATOM 1324 CB LYS A 89 4.297 6.216 2.921 1.00 0.00 C ATOM 1325 CG LYS A 89 3.495 6.988 3.973 1.00 0.00 C ATOM 1326 CD LYS A 89 4.384 7.623 5.032 1.00 0.00 C ATOM 1327 CE LYS A 89 5.012 8.902 4.470 1.00 0.00 C ATOM 1328 NZ LYS A 89 4.131 10.080 4.609 1.00 0.00 N ATOM 0 H LYS A 89 3.499 4.133 2.224 1.00 0.00 H new ATOM 0 HA LYS A 89 2.660 6.806 1.658 1.00 0.00 H new ATOM 0 HB2 LYS A 89 4.530 5.218 3.291 1.00 0.00 H new ATOM 0 HB3 LYS A 89 5.247 6.718 2.737 1.00 0.00 H new ATOM 0 HG2 LYS A 89 2.910 7.765 3.481 1.00 0.00 H new ATOM 0 HG3 LYS A 89 2.788 6.312 4.454 1.00 0.00 H new ATOM 0 HD2 LYS A 89 3.799 7.853 5.923 1.00 0.00 H new ATOM 0 HD3 LYS A 89 5.164 6.924 5.334 1.00 0.00 H new ATOM 0 HE2 LYS A 89 5.954 9.095 4.984 1.00 0.00 H new ATOM 0 HE3 LYS A 89 5.249 8.753 3.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 4.605 10.917 4.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 3.242 9.911 4.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 3.925 10.243 5.615 1.00 0.00 H new ATOM 1342 N ASP A 90 5.130 5.658 -0.141 1.00 0.00 N ATOM 1343 CA ASP A 90 5.939 5.837 -1.343 1.00 0.00 C ATOM 1344 C ASP A 90 5.175 5.457 -2.617 1.00 0.00 C ATOM 1345 O ASP A 90 5.766 5.398 -3.695 1.00 0.00 O ATOM 1346 CB ASP A 90 7.255 5.039 -1.223 1.00 0.00 C ATOM 1347 CG ASP A 90 8.468 5.826 -1.724 1.00 0.00 C ATOM 1348 OD1 ASP A 90 8.957 6.678 -0.937 1.00 0.00 O ATOM 1349 OD2 ASP A 90 8.901 5.651 -2.881 1.00 0.00 O ATOM 0 H ASP A 90 5.280 4.747 0.292 1.00 0.00 H new ATOM 0 HA ASP A 90 6.178 6.897 -1.427 1.00 0.00 H new ATOM 0 HB2 ASP A 90 7.413 4.760 -0.181 1.00 0.00 H new ATOM 0 HB3 ASP A 90 7.167 4.113 -1.791 1.00 0.00 H new ATOM 1354 N ALA A 91 3.867 5.170 -2.532 1.00 0.00 N ATOM 1355 CA ALA A 91 3.095 4.755 -3.703 1.00 0.00 C ATOM 1356 C ALA A 91 3.051 5.816 -4.812 1.00 0.00 C ATOM 1357 O ALA A 91 2.799 5.477 -5.969 1.00 0.00 O ATOM 1358 CB ALA A 91 1.688 4.363 -3.266 1.00 0.00 C ATOM 0 H ALA A 91 3.328 5.219 -1.667 1.00 0.00 H new ATOM 0 HA ALA A 91 3.603 3.895 -4.140 1.00 0.00 H new ATOM 0 HB1 ALA A 91 1.110 4.053 -4.136 1.00 0.00 H new ATOM 0 HB2 ALA A 91 1.744 3.538 -2.555 1.00 0.00 H new ATOM 0 HB3 ALA A 91 1.203 5.217 -2.793 1.00 0.00 H new ATOM 1364 N GLY A 92 3.318 7.082 -4.487 1.00 0.00 N ATOM 1365 CA GLY A 92 3.405 8.168 -5.446 1.00 0.00 C ATOM 1366 C GLY A 92 2.019 8.668 -5.800 1.00 0.00 C ATOM 1367 O GLY A 92 1.600 8.540 -6.949 1.00 0.00 O ATOM 0 H GLY A 92 3.482 7.380 -3.526 1.00 0.00 H new ATOM 0 HA2 GLY A 92 3.998 8.983 -5.030 1.00 0.00 H new ATOM 0 HA3 GLY A 92 3.917 7.828 -6.346 1.00 0.00 H new ATOM 1371 N LEU A 93 1.321 9.215 -4.792 1.00 0.00 N ATOM 1372 CA LEU A 93 -0.019 9.834 -4.817 1.00 0.00 C ATOM 1373 C LEU A 93 -1.117 8.835 -5.089 1.00 0.00 C ATOM 1374 O LEU A 93 -2.098 8.836 -4.361 1.00 0.00 O ATOM 1375 CB LEU A 93 -0.159 10.982 -5.843 1.00 0.00 C ATOM 1376 CG LEU A 93 0.931 12.035 -5.685 1.00 0.00 C ATOM 1377 CD1 LEU A 93 0.966 13.031 -6.837 1.00 0.00 C ATOM 1378 CD2 LEU A 93 0.892 12.797 -4.364 1.00 0.00 C ATOM 0 H LEU A 93 1.714 9.239 -3.851 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.128 10.245 -3.813 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -0.121 10.571 -6.852 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.135 11.453 -5.727 1.00 0.00 H new ATOM 0 HG LEU A 93 1.847 11.445 -5.693 1.00 0.00 H new ATOM 0 HD11 LEU A 93 1.762 13.756 -6.667 1.00 0.00 H new ATOM 0 HD12 LEU A 93 1.151 12.501 -7.771 1.00 0.00 H new ATOM 0 HD13 LEU A 93 0.010 13.551 -6.898 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.703 13.525 -4.340 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -0.063 13.315 -4.271 1.00 0.00 H new ATOM 0 HD23 LEU A 93 1.007 12.097 -3.537 1.00 0.00 H new ATOM 1390 N SER A 94 -0.961 7.975 -6.081 1.00 0.00 N ATOM 1391 CA SER A 94 -1.856 6.859 -6.300 1.00 0.00 C ATOM 1392 C SER A 94 -1.284 5.640 -5.599 1.00 0.00 C ATOM 1393 O SER A 94 -0.070 5.492 -5.486 1.00 0.00 O ATOM 1394 CB SER A 94 -2.104 6.582 -7.788 1.00 0.00 C ATOM 1395 OG SER A 94 -1.089 7.101 -8.631 1.00 0.00 O ATOM 0 H SER A 94 -0.203 8.035 -6.761 1.00 0.00 H new ATOM 0 HA SER A 94 -2.832 7.108 -5.882 1.00 0.00 H new ATOM 0 HB2 SER A 94 -2.180 5.506 -7.942 1.00 0.00 H new ATOM 0 HB3 SER A 94 -3.062 7.014 -8.076 1.00 0.00 H new ATOM 0 HG SER A 94 -1.301 6.892 -9.565 1.00 0.00 H new ATOM 1401 N VAL A 95 -2.150 4.748 -5.136 1.00 0.00 N ATOM 1402 CA VAL A 95 -1.791 3.411 -4.724 1.00 0.00 C ATOM 1403 C VAL A 95 -2.795 2.495 -5.402 1.00 0.00 C ATOM 1404 O VAL A 95 -4.000 2.748 -5.365 1.00 0.00 O ATOM 1405 CB VAL A 95 -1.796 3.317 -3.186 1.00 0.00 C ATOM 1406 CG1 VAL A 95 -3.169 3.517 -2.518 1.00 0.00 C ATOM 1407 CG2 VAL A 95 -1.191 2.001 -2.694 1.00 0.00 C ATOM 0 H VAL A 95 -3.146 4.946 -5.037 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.782 3.122 -5.019 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.176 4.160 -2.881 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.063 3.432 -1.436 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -3.555 4.505 -2.768 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.862 2.756 -2.876 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -1.214 1.975 -1.605 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.768 1.165 -3.089 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.159 1.924 -3.037 1.00 0.00 H new ATOM 1417 N THR A 96 -2.278 1.435 -6.002 1.00 0.00 N ATOM 1418 CA THR A 96 -3.052 0.406 -6.642 1.00 0.00 C ATOM 1419 C THR A 96 -3.007 -0.823 -5.761 1.00 0.00 C ATOM 1420 O THR A 96 -1.971 -1.482 -5.645 1.00 0.00 O ATOM 1421 CB THR A 96 -2.589 0.142 -8.068 1.00 0.00 C ATOM 1422 OG1 THR A 96 -2.411 1.361 -8.743 1.00 0.00 O ATOM 1423 CG2 THR A 96 -3.662 -0.652 -8.813 1.00 0.00 C ATOM 0 H THR A 96 -1.273 1.270 -6.054 1.00 0.00 H new ATOM 0 HA THR A 96 -4.088 0.727 -6.750 1.00 0.00 H new ATOM 0 HB THR A 96 -1.652 -0.414 -8.035 1.00 0.00 H new ATOM 0 HG1 THR A 96 -2.111 1.187 -9.660 1.00 0.00 H new ATOM 0 HG21 THR A 96 -3.331 -0.841 -9.834 1.00 0.00 H new ATOM 0 HG22 THR A 96 -3.831 -1.601 -8.304 1.00 0.00 H new ATOM 0 HG23 THR A 96 -4.590 -0.080 -8.832 1.00 0.00 H new ATOM 1431 N LEU A 97 -4.106 -1.091 -5.066 1.00 0.00 N ATOM 1432 CA LEU A 97 -4.262 -2.274 -4.243 1.00 0.00 C ATOM 1433 C LEU A 97 -4.866 -3.359 -5.129 1.00 0.00 C ATOM 1434 O LEU A 97 -5.487 -3.063 -6.150 1.00 0.00 O ATOM 1435 CB LEU A 97 -5.219 -1.953 -3.077 1.00 0.00 C ATOM 1436 CG LEU A 97 -4.899 -0.669 -2.285 1.00 0.00 C ATOM 1437 CD1 LEU A 97 -3.427 -0.355 -2.125 1.00 0.00 C ATOM 1438 CD2 LEU A 97 -5.694 0.571 -2.668 1.00 0.00 C ATOM 0 H LEU A 97 -4.923 -0.481 -5.061 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.308 -2.603 -3.831 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -6.231 -1.871 -3.474 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -5.215 -2.795 -2.385 1.00 0.00 H new ATOM 0 HG LEU A 97 -5.262 -0.953 -1.297 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.311 0.566 -1.554 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.936 -1.173 -1.598 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.972 -0.232 -3.108 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -5.383 1.409 -2.045 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.512 0.811 -3.716 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -6.757 0.382 -2.518 1.00 0.00 H new ATOM 1450 N ARG A 98 -4.740 -4.616 -4.717 1.00 0.00 N ATOM 1451 CA ARG A 98 -5.497 -5.732 -5.276 1.00 0.00 C ATOM 1452 C ARG A 98 -6.406 -6.223 -4.175 1.00 0.00 C ATOM 1453 O ARG A 98 -5.913 -6.442 -3.066 1.00 0.00 O ATOM 1454 CB ARG A 98 -4.551 -6.850 -5.727 1.00 0.00 C ATOM 1455 CG ARG A 98 -5.249 -8.032 -6.401 1.00 0.00 C ATOM 1456 CD ARG A 98 -4.278 -9.063 -6.994 1.00 0.00 C ATOM 1457 NE ARG A 98 -3.445 -9.778 -6.008 1.00 0.00 N ATOM 1458 CZ ARG A 98 -2.650 -10.825 -6.292 1.00 0.00 C ATOM 1459 NH1 ARG A 98 -2.718 -11.439 -7.467 1.00 0.00 N ATOM 1460 NH2 ARG A 98 -1.785 -11.269 -5.387 1.00 0.00 N ATOM 0 H ARG A 98 -4.099 -4.893 -3.974 1.00 0.00 H new ATOM 0 HA ARG A 98 -6.068 -5.421 -6.151 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -3.819 -6.433 -6.419 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -4.000 -7.215 -4.860 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -5.891 -8.527 -5.673 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -5.896 -7.657 -7.194 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -4.852 -9.796 -7.561 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -3.622 -8.556 -7.701 1.00 0.00 H new ATOM 0 HE ARG A 98 -3.474 -9.455 -5.041 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -3.381 -11.118 -8.172 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -2.107 -12.231 -7.664 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -1.723 -10.816 -4.475 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -1.183 -12.063 -5.604 1.00 0.00 H new ATOM 1474 N ILE A 99 -7.680 -6.446 -4.478 1.00 0.00 N ATOM 1475 CA ILE A 99 -8.652 -6.998 -3.545 1.00 0.00 C ATOM 1476 C ILE A 99 -9.359 -8.190 -4.187 1.00 0.00 C ATOM 1477 O ILE A 99 -9.329 -8.351 -5.410 1.00 0.00 O ATOM 1478 CB ILE A 99 -9.621 -5.912 -3.021 1.00 0.00 C ATOM 1479 CG1 ILE A 99 -10.588 -5.404 -4.117 1.00 0.00 C ATOM 1480 CG2 ILE A 99 -8.859 -4.738 -2.381 1.00 0.00 C ATOM 1481 CD1 ILE A 99 -12.021 -5.885 -3.878 1.00 0.00 C ATOM 0 H ILE A 99 -8.072 -6.244 -5.397 1.00 0.00 H new ATOM 0 HA ILE A 99 -8.135 -7.367 -2.659 1.00 0.00 H new ATOM 0 HB ILE A 99 -10.228 -6.387 -2.250 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -10.570 -4.314 -4.141 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -10.246 -5.750 -5.092 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -9.571 -3.994 -2.024 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -8.265 -5.103 -1.543 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -8.201 -4.284 -3.122 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -12.668 -5.507 -4.669 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -12.044 -6.975 -3.880 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -12.373 -5.516 -2.914 1.00 0.00 H new ATOM 1493 N ILE A 100 -9.979 -9.036 -3.367 1.00 0.00 N ATOM 1494 CA ILE A 100 -10.883 -10.092 -3.809 1.00 0.00 C ATOM 1495 C ILE A 100 -12.329 -9.636 -3.515 1.00 0.00 C ATOM 1496 O ILE A 100 -12.630 -9.314 -2.358 1.00 0.00 O ATOM 1497 CB ILE A 100 -10.505 -11.440 -3.155 1.00 0.00 C ATOM 1498 CG1 ILE A 100 -9.243 -12.009 -3.828 1.00 0.00 C ATOM 1499 CG2 ILE A 100 -11.653 -12.427 -3.353 1.00 0.00 C ATOM 1500 CD1 ILE A 100 -8.638 -13.226 -3.115 1.00 0.00 C ATOM 0 H ILE A 100 -9.863 -9.004 -2.354 1.00 0.00 H new ATOM 0 HA ILE A 100 -10.799 -10.264 -4.882 1.00 0.00 H new ATOM 0 HB ILE A 100 -10.316 -11.286 -2.093 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.487 -12.288 -4.853 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -8.489 -11.223 -3.882 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -11.395 -13.382 -2.895 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -12.556 -12.033 -2.887 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -11.828 -12.572 -4.419 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -7.753 -13.562 -3.656 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -8.359 -12.950 -2.098 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -9.372 -14.031 -3.084 1.00 0.00 H new