USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 618 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 37 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 12 SER OG : rot 180:sc= 0.0146 USER MOD Set 2.2: A 29 SER OG : rot 49:sc= 0.0145 USER MOD Single : A 9 SER OG : rot 29:sc= 0.285 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot -106:sc= 0.151 USER MOD Single : A 19 SER OG : rot 180:sc= -0.588 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 146:sc= -0.692 (180deg=-3.96!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot -170:sc= -0.15 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0303 USER MOD Single : A 54 SER OG : rot -172:sc= -2.7! USER MOD Single : A 58 THR OG1 : rot 140:sc= 0.455 USER MOD Single : A 59 ASN : amide:sc= -0.55 X(o=-0.55,f=-0.17) USER MOD Single : A 65 ASN : amide:sc= -0.013 K(o=-0.013,f=-0.8) USER MOD Single : A 68 GLN : amide:sc= -1.46 X(o=-1.5,f=-1.4) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.485 USER MOD Single : A 72 ASN : amide:sc= -0.486 K(o=-0.49,f=-2.4) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 HIS : no HD1:sc= -12.8! C(o=-13!,f=-13!) USER MOD Single : A 79 SER OG : rot 106:sc= 0.646 USER MOD ----------------------------------------------------------------- ATOM 92 N SER A 9 -11.840 -15.406 2.934 1.00 0.00 N ATOM 93 CA SER A 9 -11.086 -14.480 3.762 1.00 0.00 C ATOM 94 C SER A 9 -10.290 -13.518 2.879 1.00 0.00 C ATOM 95 O SER A 9 -9.399 -13.938 2.142 1.00 0.00 O ATOM 96 CB SER A 9 -10.148 -15.229 4.711 1.00 0.00 C ATOM 97 OG SER A 9 -9.290 -16.128 4.014 1.00 0.00 O ATOM 0 HA SER A 9 -11.791 -13.909 4.366 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.546 -14.511 5.267 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.738 -15.783 5.441 1.00 0.00 H new ATOM 0 HG SER A 9 -9.128 -15.790 3.108 1.00 0.00 H new ATOM 103 N LYS A 10 -10.640 -12.244 2.981 1.00 0.00 N ATOM 104 CA LYS A 10 -9.969 -11.218 2.201 1.00 0.00 C ATOM 105 C LYS A 10 -9.604 -10.046 3.114 1.00 0.00 C ATOM 106 O LYS A 10 -10.060 -9.978 4.254 1.00 0.00 O ATOM 107 CB LYS A 10 -10.823 -10.817 0.997 1.00 0.00 C ATOM 108 CG LYS A 10 -10.575 -11.753 -0.188 1.00 0.00 C ATOM 109 CD LYS A 10 -10.653 -10.992 -1.513 1.00 0.00 C ATOM 110 CE LYS A 10 -10.674 -11.959 -2.699 1.00 0.00 C ATOM 111 NZ LYS A 10 -10.790 -11.214 -3.973 1.00 0.00 N ATOM 0 H LYS A 10 -11.380 -11.899 3.592 1.00 0.00 H new ATOM 0 HA LYS A 10 -9.037 -11.602 1.788 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -11.878 -10.842 1.270 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -10.593 -9.791 0.709 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -9.595 -12.219 -0.089 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -11.312 -12.556 -0.182 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -11.549 -10.372 -1.528 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -9.799 -10.320 -1.602 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -9.764 -12.559 -2.703 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -11.511 -12.650 -2.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -10.803 -11.885 -4.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -11.671 -10.661 -3.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -9.978 -10.572 -4.075 1.00 0.00 H new ATOM 125 N VAL A 11 -8.786 -9.152 2.578 1.00 0.00 N ATOM 126 CA VAL A 11 -8.354 -7.987 3.330 1.00 0.00 C ATOM 127 C VAL A 11 -8.331 -6.768 2.405 1.00 0.00 C ATOM 128 O VAL A 11 -7.812 -6.839 1.293 1.00 0.00 O ATOM 129 CB VAL A 11 -7.002 -8.261 3.991 1.00 0.00 C ATOM 130 CG1 VAL A 11 -7.141 -9.283 5.121 1.00 0.00 C ATOM 131 CG2 VAL A 11 -5.971 -8.722 2.959 1.00 0.00 C ATOM 0 H VAL A 11 -8.411 -9.211 1.631 1.00 0.00 H new ATOM 0 HA VAL A 11 -9.056 -7.771 4.135 1.00 0.00 H new ATOM 0 HB VAL A 11 -6.646 -7.327 4.426 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -6.165 -9.460 5.574 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -7.827 -8.900 5.876 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -7.529 -10.219 4.719 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -5.019 -8.910 3.455 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -6.319 -9.638 2.482 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.840 -7.947 2.204 1.00 0.00 H new ATOM 141 N SER A 12 -8.901 -5.679 2.900 1.00 0.00 N ATOM 142 CA SER A 12 -8.952 -4.447 2.132 1.00 0.00 C ATOM 143 C SER A 12 -7.847 -3.495 2.594 1.00 0.00 C ATOM 144 O SER A 12 -7.559 -3.406 3.787 1.00 0.00 O ATOM 145 CB SER A 12 -10.320 -3.774 2.261 1.00 0.00 C ATOM 146 OG SER A 12 -11.324 -4.456 1.514 1.00 0.00 O ATOM 0 H SER A 12 -9.331 -5.624 3.823 1.00 0.00 H new ATOM 0 HA SER A 12 -8.795 -4.693 1.082 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.610 -3.741 3.311 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.250 -2.742 1.917 1.00 0.00 H new ATOM 0 HG SER A 12 -12.182 -3.996 1.624 1.00 0.00 H new ATOM 152 N PHE A 13 -7.258 -2.808 1.626 1.00 0.00 N ATOM 153 CA PHE A 13 -6.191 -1.867 1.919 1.00 0.00 C ATOM 154 C PHE A 13 -6.599 -0.441 1.544 1.00 0.00 C ATOM 155 O PHE A 13 -6.728 -0.119 0.363 1.00 0.00 O ATOM 156 CB PHE A 13 -4.985 -2.280 1.073 1.00 0.00 C ATOM 157 CG PHE A 13 -4.737 -3.789 1.037 1.00 0.00 C ATOM 158 CD1 PHE A 13 -3.951 -4.371 1.982 1.00 0.00 C ATOM 159 CD2 PHE A 13 -5.304 -4.549 0.062 1.00 0.00 C ATOM 160 CE1 PHE A 13 -3.720 -5.772 1.949 1.00 0.00 C ATOM 161 CE2 PHE A 13 -5.073 -5.950 0.029 1.00 0.00 C ATOM 162 CZ PHE A 13 -4.287 -6.532 0.973 1.00 0.00 C ATOM 0 H PHE A 13 -7.500 -2.885 0.638 1.00 0.00 H new ATOM 0 HA PHE A 13 -5.964 -1.882 2.985 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -5.129 -1.922 0.054 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -4.095 -1.785 1.462 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -3.502 -3.768 2.758 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -5.930 -4.087 -0.687 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -3.094 -6.234 2.698 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -5.522 -6.553 -0.746 1.00 0.00 H new ATOM 0 HZ PHE A 13 -4.113 -7.598 0.948 1.00 0.00 H new ATOM 172 N LYS A 14 -6.791 0.375 2.569 1.00 0.00 N ATOM 173 CA LYS A 14 -7.182 1.759 2.361 1.00 0.00 C ATOM 174 C LYS A 14 -5.928 2.617 2.183 1.00 0.00 C ATOM 175 O LYS A 14 -5.326 3.054 3.162 1.00 0.00 O ATOM 176 CB LYS A 14 -8.096 2.234 3.493 1.00 0.00 C ATOM 177 CG LYS A 14 -9.003 3.373 3.024 1.00 0.00 C ATOM 178 CD LYS A 14 -10.365 3.311 3.719 1.00 0.00 C ATOM 179 CE LYS A 14 -11.367 2.507 2.889 1.00 0.00 C ATOM 180 NZ LYS A 14 -12.550 2.154 3.705 1.00 0.00 N ATOM 0 H LYS A 14 -6.683 0.105 3.547 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.768 1.856 1.447 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -8.705 1.402 3.847 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.492 2.569 4.336 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -8.527 4.331 3.233 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -9.139 3.313 1.944 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -10.255 2.856 4.703 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -10.744 4.321 3.875 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -11.677 3.087 2.020 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -10.893 1.600 2.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -13.220 1.608 3.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -12.251 1.582 4.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -13.011 3.023 4.042 1.00 0.00 H new ATOM 194 N ILE A 15 -5.571 2.833 0.925 1.00 0.00 N ATOM 195 CA ILE A 15 -4.400 3.631 0.605 1.00 0.00 C ATOM 196 C ILE A 15 -4.840 4.916 -0.098 1.00 0.00 C ATOM 197 O ILE A 15 -5.704 4.885 -0.973 1.00 0.00 O ATOM 198 CB ILE A 15 -3.392 2.806 -0.197 1.00 0.00 C ATOM 199 CG1 ILE A 15 -3.031 1.514 0.540 1.00 0.00 C ATOM 200 CG2 ILE A 15 -2.153 3.635 -0.539 1.00 0.00 C ATOM 201 CD1 ILE A 15 -2.874 0.349 -0.440 1.00 0.00 C ATOM 0 H ILE A 15 -6.073 2.469 0.115 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.881 3.928 1.517 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.858 2.520 -1.140 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.103 1.655 1.095 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.806 1.278 1.269 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.453 3.025 -1.109 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.447 4.500 -1.133 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.675 3.972 0.381 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.618 -0.557 0.110 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.811 0.195 -0.976 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.082 0.577 -1.153 1.00 0.00 H new ATOM 213 N THR A 16 -4.226 6.017 0.311 1.00 0.00 N ATOM 214 CA THR A 16 -4.544 7.311 -0.269 1.00 0.00 C ATOM 215 C THR A 16 -3.354 7.843 -1.070 1.00 0.00 C ATOM 216 O THR A 16 -2.313 8.167 -0.501 1.00 0.00 O ATOM 217 CB THR A 16 -4.979 8.243 0.864 1.00 0.00 C ATOM 218 OG1 THR A 16 -6.372 7.981 1.014 1.00 0.00 O ATOM 219 CG2 THR A 16 -4.918 9.718 0.465 1.00 0.00 C ATOM 0 H THR A 16 -3.510 6.039 1.037 1.00 0.00 H new ATOM 0 HA THR A 16 -5.366 7.234 -0.980 1.00 0.00 H new ATOM 0 HB THR A 16 -4.345 8.076 1.734 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.735 8.543 1.730 1.00 0.00 H new ATOM 0 HG21 THR A 16 -5.237 10.336 1.305 1.00 0.00 H new ATOM 0 HG22 THR A 16 -3.896 9.979 0.190 1.00 0.00 H new ATOM 0 HG23 THR A 16 -5.578 9.893 -0.385 1.00 0.00 H new ATOM 227 N LEU A 17 -3.548 7.916 -2.379 1.00 0.00 N ATOM 228 CA LEU A 17 -2.505 8.403 -3.264 1.00 0.00 C ATOM 229 C LEU A 17 -2.052 9.788 -2.799 1.00 0.00 C ATOM 230 O LEU A 17 -2.876 10.680 -2.599 1.00 0.00 O ATOM 231 CB LEU A 17 -2.976 8.366 -4.719 1.00 0.00 C ATOM 232 CG LEU A 17 -1.878 8.236 -5.777 1.00 0.00 C ATOM 233 CD1 LEU A 17 -1.138 6.904 -5.638 1.00 0.00 C ATOM 234 CD2 LEU A 17 -2.446 8.432 -7.184 1.00 0.00 C ATOM 0 H LEU A 17 -4.413 7.646 -2.847 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.633 7.751 -3.219 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.666 7.530 -4.836 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.541 9.276 -4.920 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.148 9.029 -5.611 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.363 6.837 -6.402 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.681 6.843 -4.650 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.842 6.082 -5.763 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.645 8.335 -7.917 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.208 7.677 -7.377 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.890 9.424 -7.262 1.00 0.00 H new ATOM 246 N THR A 18 -0.744 9.927 -2.640 1.00 0.00 N ATOM 247 CA THR A 18 -0.173 11.188 -2.201 1.00 0.00 C ATOM 248 C THR A 18 0.381 11.967 -3.397 1.00 0.00 C ATOM 249 O THR A 18 0.471 13.193 -3.356 1.00 0.00 O ATOM 250 CB THR A 18 0.880 10.885 -1.133 1.00 0.00 C ATOM 251 OG1 THR A 18 1.982 10.362 -1.870 1.00 0.00 O ATOM 252 CG2 THR A 18 0.467 9.734 -0.214 1.00 0.00 C ATOM 0 H THR A 18 -0.063 9.186 -2.808 1.00 0.00 H new ATOM 0 HA THR A 18 -0.932 11.832 -1.756 1.00 0.00 H new ATOM 0 HB THR A 18 1.060 11.780 -0.537 1.00 0.00 H new ATOM 0 HG1 THR A 18 2.041 9.394 -1.728 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.249 9.560 0.525 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.463 9.990 0.294 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.320 8.831 -0.806 1.00 0.00 H new ATOM 260 N SER A 19 0.737 11.222 -4.433 1.00 0.00 N ATOM 261 CA SER A 19 1.280 11.827 -5.638 1.00 0.00 C ATOM 262 C SER A 19 0.341 12.926 -6.140 1.00 0.00 C ATOM 263 O SER A 19 0.789 14.016 -6.493 1.00 0.00 O ATOM 264 CB SER A 19 1.500 10.778 -6.729 1.00 0.00 C ATOM 265 OG SER A 19 0.294 10.101 -7.071 1.00 0.00 O ATOM 0 H SER A 19 0.660 10.205 -4.463 1.00 0.00 H new ATOM 0 HA SER A 19 2.247 12.267 -5.394 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.910 11.259 -7.617 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.239 10.052 -6.390 1.00 0.00 H new ATOM 0 HG SER A 19 0.477 9.441 -7.772 1.00 0.00 H new ATOM 271 N ASP A 20 -0.943 12.602 -6.155 1.00 0.00 N ATOM 272 CA ASP A 20 -1.949 13.548 -6.608 1.00 0.00 C ATOM 273 C ASP A 20 -2.354 14.452 -5.442 1.00 0.00 C ATOM 274 O ASP A 20 -2.225 14.069 -4.281 1.00 0.00 O ATOM 275 CB ASP A 20 -3.203 12.824 -7.102 1.00 0.00 C ATOM 276 CG ASP A 20 -3.701 13.262 -8.481 1.00 0.00 C ATOM 277 OD1 ASP A 20 -2.835 13.455 -9.362 1.00 0.00 O ATOM 278 OD2 ASP A 20 -4.935 13.393 -8.624 1.00 0.00 O ATOM 0 H ASP A 20 -1.311 11.697 -5.861 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.522 14.129 -7.426 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.999 11.754 -7.129 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -4.003 12.978 -6.378 1.00 0.00 H new ATOM 283 N PRO A 21 -2.847 15.667 -5.802 1.00 0.00 N ATOM 284 CA PRO A 21 -3.271 16.629 -4.799 1.00 0.00 C ATOM 285 C PRO A 21 -4.614 16.227 -4.187 1.00 0.00 C ATOM 286 O PRO A 21 -4.781 16.264 -2.969 1.00 0.00 O ATOM 287 CB PRO A 21 -3.327 17.961 -5.530 1.00 0.00 C ATOM 288 CG PRO A 21 -3.385 17.621 -7.011 1.00 0.00 C ATOM 289 CD PRO A 21 -3.014 16.156 -7.168 1.00 0.00 C ATOM 0 HA PRO A 21 -2.587 16.683 -3.952 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -4.202 18.537 -5.227 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -2.451 18.569 -5.303 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -4.384 17.806 -7.406 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -2.697 18.251 -7.575 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -3.793 15.604 -7.693 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -2.097 16.040 -7.745 1.00 0.00 H new ATOM 297 N ARG A 22 -5.538 15.852 -5.060 1.00 0.00 N ATOM 298 CA ARG A 22 -6.861 15.442 -4.620 1.00 0.00 C ATOM 299 C ARG A 22 -6.752 14.455 -3.456 1.00 0.00 C ATOM 300 O ARG A 22 -7.626 14.408 -2.593 1.00 0.00 O ATOM 301 CB ARG A 22 -7.644 14.790 -5.761 1.00 0.00 C ATOM 302 CG ARG A 22 -8.402 15.840 -6.576 1.00 0.00 C ATOM 303 CD ARG A 22 -9.834 16.002 -6.065 1.00 0.00 C ATOM 304 NE ARG A 22 -10.666 14.865 -6.520 1.00 0.00 N ATOM 305 CZ ARG A 22 -11.279 14.812 -7.710 1.00 0.00 C ATOM 306 NH1 ARG A 22 -11.159 15.831 -8.572 1.00 0.00 N ATOM 307 NH2 ARG A 22 -12.013 13.740 -8.038 1.00 0.00 N ATOM 0 H ARG A 22 -5.397 15.824 -6.070 1.00 0.00 H new ATOM 0 HA ARG A 22 -7.393 16.336 -4.294 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -6.960 14.244 -6.411 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -8.347 14.062 -5.355 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -7.881 16.796 -6.518 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -8.418 15.549 -7.626 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -9.837 16.052 -4.976 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -10.255 16.940 -6.429 1.00 0.00 H new ATOM 0 HE ARG A 22 -10.780 14.073 -5.888 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -10.601 16.647 -8.322 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -11.626 15.790 -9.478 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -12.105 12.965 -7.382 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -12.480 13.699 -8.944 1.00 0.00 H new ATOM 321 N LEU A 23 -5.670 13.690 -3.471 1.00 0.00 N ATOM 322 CA LEU A 23 -5.435 12.706 -2.428 1.00 0.00 C ATOM 323 C LEU A 23 -6.618 11.737 -2.371 1.00 0.00 C ATOM 324 O LEU A 23 -7.336 11.686 -1.373 1.00 0.00 O ATOM 325 CB LEU A 23 -5.142 13.398 -1.095 1.00 0.00 C ATOM 326 CG LEU A 23 -3.666 13.523 -0.715 1.00 0.00 C ATOM 327 CD1 LEU A 23 -3.201 14.979 -0.793 1.00 0.00 C ATOM 328 CD2 LEU A 23 -3.400 12.910 0.661 1.00 0.00 C ATOM 0 H LEU A 23 -4.947 13.732 -4.189 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.548 12.114 -2.655 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.575 14.398 -1.124 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.655 12.851 -0.304 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.078 12.958 -1.438 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.148 15.040 -0.518 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.332 15.349 -1.810 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.791 15.587 -0.107 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.343 13.012 0.907 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.999 13.427 1.411 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.669 11.854 0.647 1.00 0.00 H new ATOM 340 N PRO A 24 -6.789 10.973 -3.483 1.00 0.00 N ATOM 341 CA PRO A 24 -7.873 10.009 -3.568 1.00 0.00 C ATOM 342 C PRO A 24 -7.573 8.770 -2.721 1.00 0.00 C ATOM 343 O PRO A 24 -6.431 8.550 -2.320 1.00 0.00 O ATOM 344 CB PRO A 24 -8.006 9.697 -5.050 1.00 0.00 C ATOM 345 CG PRO A 24 -6.698 10.137 -5.687 1.00 0.00 C ATOM 346 CD PRO A 24 -5.959 11.007 -4.683 1.00 0.00 C ATOM 0 HA PRO A 24 -8.811 10.395 -3.170 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -8.181 8.633 -5.211 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -8.851 10.228 -5.487 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -6.095 9.270 -5.958 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -6.889 10.692 -6.605 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -4.959 10.621 -4.484 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.840 12.025 -5.053 1.00 0.00 H new ATOM 354 N TYR A 25 -8.618 7.994 -2.475 1.00 0.00 N ATOM 355 CA TYR A 25 -8.481 6.784 -1.683 1.00 0.00 C ATOM 356 C TYR A 25 -8.745 5.539 -2.533 1.00 0.00 C ATOM 357 O TYR A 25 -9.494 5.596 -3.507 1.00 0.00 O ATOM 358 CB TYR A 25 -9.546 6.873 -0.588 1.00 0.00 C ATOM 359 CG TYR A 25 -10.945 6.457 -1.045 1.00 0.00 C ATOM 360 CD1 TYR A 25 -11.330 5.133 -0.973 1.00 0.00 C ATOM 361 CD2 TYR A 25 -11.823 7.405 -1.529 1.00 0.00 C ATOM 362 CE1 TYR A 25 -12.647 4.741 -1.403 1.00 0.00 C ATOM 363 CE2 TYR A 25 -13.141 7.013 -1.960 1.00 0.00 C ATOM 364 CZ TYR A 25 -13.487 5.701 -1.875 1.00 0.00 C ATOM 365 OH TYR A 25 -14.731 5.331 -2.282 1.00 0.00 O ATOM 0 H TYR A 25 -9.563 8.180 -2.810 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.472 6.703 -1.279 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -9.246 6.242 0.249 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -9.586 7.897 -0.217 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -10.643 4.391 -0.594 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -11.522 8.441 -1.585 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -12.961 3.709 -1.352 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -13.838 7.745 -2.342 1.00 0.00 H new ATOM 0 HH TYR A 25 -15.221 6.120 -2.594 1.00 0.00 H new ATOM 375 N LYS A 26 -8.114 4.444 -2.134 1.00 0.00 N ATOM 376 CA LYS A 26 -8.271 3.188 -2.847 1.00 0.00 C ATOM 377 C LYS A 26 -8.434 2.050 -1.838 1.00 0.00 C ATOM 378 O LYS A 26 -7.835 2.078 -0.764 1.00 0.00 O ATOM 379 CB LYS A 26 -7.115 2.980 -3.827 1.00 0.00 C ATOM 380 CG LYS A 26 -7.634 2.729 -5.244 1.00 0.00 C ATOM 381 CD LYS A 26 -7.905 1.241 -5.473 1.00 0.00 C ATOM 382 CE LYS A 26 -6.615 0.498 -5.828 1.00 0.00 C ATOM 383 NZ LYS A 26 -5.981 -0.052 -4.609 1.00 0.00 N ATOM 0 H LYS A 26 -7.493 4.401 -1.326 1.00 0.00 H new ATOM 0 HA LYS A 26 -9.175 3.206 -3.456 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -6.468 3.857 -3.823 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -6.507 2.135 -3.504 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -8.549 3.298 -5.406 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -6.904 3.085 -5.971 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -8.345 0.805 -4.576 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -8.632 1.119 -6.276 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -6.834 -0.309 -6.527 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -5.924 1.176 -6.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -5.516 -0.954 -4.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -5.274 0.622 -4.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -6.707 -0.211 -3.882 1.00 0.00 H new ATOM 397 N VAL A 27 -9.248 1.077 -2.218 1.00 0.00 N ATOM 398 CA VAL A 27 -9.498 -0.069 -1.359 1.00 0.00 C ATOM 399 C VAL A 27 -9.536 -1.340 -2.210 1.00 0.00 C ATOM 400 O VAL A 27 -10.570 -1.675 -2.785 1.00 0.00 O ATOM 401 CB VAL A 27 -10.780 0.151 -0.554 1.00 0.00 C ATOM 402 CG1 VAL A 27 -11.780 1.005 -1.337 1.00 0.00 C ATOM 403 CG2 VAL A 27 -11.404 -1.184 -0.142 1.00 0.00 C ATOM 0 H VAL A 27 -9.743 1.058 -3.109 1.00 0.00 H new ATOM 0 HA VAL A 27 -8.692 -0.187 -0.635 1.00 0.00 H new ATOM 0 HB VAL A 27 -10.516 0.693 0.354 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -12.682 1.146 -0.742 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -11.335 1.975 -1.558 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -12.035 0.503 -2.270 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -12.314 -0.999 0.429 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -11.646 -1.763 -1.033 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -10.697 -1.742 0.472 1.00 0.00 H new ATOM 413 N LEU A 28 -8.396 -2.012 -2.263 1.00 0.00 N ATOM 414 CA LEU A 28 -8.286 -3.239 -3.034 1.00 0.00 C ATOM 415 C LEU A 28 -8.556 -4.436 -2.120 1.00 0.00 C ATOM 416 O LEU A 28 -8.117 -4.456 -0.971 1.00 0.00 O ATOM 417 CB LEU A 28 -6.935 -3.304 -3.749 1.00 0.00 C ATOM 418 CG LEU A 28 -6.641 -4.597 -4.513 1.00 0.00 C ATOM 419 CD1 LEU A 28 -7.142 -4.507 -5.955 1.00 0.00 C ATOM 420 CD2 LEU A 28 -5.154 -4.948 -4.444 1.00 0.00 C ATOM 0 H LEU A 28 -7.540 -1.730 -1.785 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.039 -3.262 -3.822 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -6.877 -2.471 -4.449 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.148 -3.155 -3.010 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.186 -5.409 -4.033 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.921 -5.439 -6.476 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.219 -4.338 -5.956 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.644 -3.681 -6.462 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.972 -5.871 -4.995 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.569 -4.141 -4.885 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.860 -5.083 -3.403 1.00 0.00 H new ATOM 432 N SER A 29 -9.276 -5.406 -2.665 1.00 0.00 N ATOM 433 CA SER A 29 -9.610 -6.603 -1.914 1.00 0.00 C ATOM 434 C SER A 29 -8.826 -7.799 -2.459 1.00 0.00 C ATOM 435 O SER A 29 -8.991 -8.177 -3.618 1.00 0.00 O ATOM 436 CB SER A 29 -11.113 -6.886 -1.966 1.00 0.00 C ATOM 437 OG SER A 29 -11.711 -6.833 -0.673 1.00 0.00 O ATOM 0 H SER A 29 -9.637 -5.387 -3.619 1.00 0.00 H new ATOM 0 HA SER A 29 -9.335 -6.440 -0.872 1.00 0.00 H new ATOM 0 HB2 SER A 29 -11.596 -6.159 -2.619 1.00 0.00 H new ATOM 0 HB3 SER A 29 -11.282 -7.870 -2.404 1.00 0.00 H new ATOM 0 HG SER A 29 -11.430 -6.013 -0.216 1.00 0.00 H new ATOM 443 N VAL A 30 -7.991 -8.361 -1.598 1.00 0.00 N ATOM 444 CA VAL A 30 -7.182 -9.506 -1.979 1.00 0.00 C ATOM 445 C VAL A 30 -7.198 -10.536 -0.848 1.00 0.00 C ATOM 446 O VAL A 30 -7.505 -10.203 0.295 1.00 0.00 O ATOM 447 CB VAL A 30 -5.770 -9.048 -2.351 1.00 0.00 C ATOM 448 CG1 VAL A 30 -5.812 -7.774 -3.198 1.00 0.00 C ATOM 449 CG2 VAL A 30 -4.911 -8.848 -1.101 1.00 0.00 C ATOM 0 H VAL A 30 -7.857 -8.045 -0.638 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.597 -9.989 -2.864 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.310 -9.834 -2.951 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.796 -7.470 -3.449 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.370 -7.965 -4.115 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -6.300 -6.979 -2.635 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.913 -8.523 -1.394 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.367 -8.091 -0.463 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.840 -9.788 -0.554 1.00 0.00 H new ATOM 459 N PRO A 31 -6.853 -11.799 -1.216 1.00 0.00 N ATOM 460 CA PRO A 31 -6.825 -12.880 -0.245 1.00 0.00 C ATOM 461 C PRO A 31 -5.597 -12.771 0.661 1.00 0.00 C ATOM 462 O PRO A 31 -4.488 -12.536 0.183 1.00 0.00 O ATOM 463 CB PRO A 31 -6.841 -14.154 -1.074 1.00 0.00 C ATOM 464 CG PRO A 31 -6.410 -13.746 -2.473 1.00 0.00 C ATOM 465 CD PRO A 31 -6.483 -12.230 -2.561 1.00 0.00 C ATOM 0 HA PRO A 31 -7.674 -12.855 0.438 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -6.163 -14.899 -0.658 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -7.836 -14.600 -1.086 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -5.396 -14.092 -2.676 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -7.058 -14.203 -3.221 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -5.527 -11.804 -2.864 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -7.222 -11.911 -3.296 1.00 0.00 H new ATOM 473 N GLU A 32 -5.836 -12.948 1.952 1.00 0.00 N ATOM 474 CA GLU A 32 -4.763 -12.873 2.929 1.00 0.00 C ATOM 475 C GLU A 32 -3.507 -13.564 2.392 1.00 0.00 C ATOM 476 O GLU A 32 -2.451 -12.942 2.282 1.00 0.00 O ATOM 477 CB GLU A 32 -5.194 -13.481 4.265 1.00 0.00 C ATOM 478 CG GLU A 32 -6.318 -12.663 4.902 1.00 0.00 C ATOM 479 CD GLU A 32 -6.442 -12.970 6.396 1.00 0.00 C ATOM 480 OE1 GLU A 32 -7.042 -14.020 6.711 1.00 0.00 O ATOM 481 OE2 GLU A 32 -5.933 -12.148 7.188 1.00 0.00 O ATOM 0 H GLU A 32 -6.757 -13.143 2.344 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.530 -11.823 3.104 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.528 -14.507 4.111 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.341 -13.522 4.942 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.124 -11.600 4.761 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.261 -12.884 4.402 1.00 0.00 H new ATOM 488 N SER A 33 -3.663 -14.840 2.072 1.00 0.00 N ATOM 489 CA SER A 33 -2.555 -15.621 1.549 1.00 0.00 C ATOM 490 C SER A 33 -1.695 -14.757 0.626 1.00 0.00 C ATOM 491 O SER A 33 -0.531 -14.492 0.924 1.00 0.00 O ATOM 492 CB SER A 33 -3.058 -16.858 0.802 1.00 0.00 C ATOM 493 OG SER A 33 -3.130 -18.001 1.650 1.00 0.00 O ATOM 0 H SER A 33 -4.540 -15.353 2.165 1.00 0.00 H new ATOM 0 HA SER A 33 -1.948 -15.959 2.389 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.044 -16.654 0.385 1.00 0.00 H new ATOM 0 HB3 SER A 33 -2.395 -17.070 -0.037 1.00 0.00 H new ATOM 0 HG SER A 33 -3.457 -18.769 1.137 1.00 0.00 H new ATOM 499 N THR A 34 -2.300 -14.341 -0.476 1.00 0.00 N ATOM 500 CA THR A 34 -1.603 -13.512 -1.445 1.00 0.00 C ATOM 501 C THR A 34 -0.694 -12.508 -0.733 1.00 0.00 C ATOM 502 O THR A 34 -1.045 -11.990 0.326 1.00 0.00 O ATOM 503 CB THR A 34 -2.652 -12.851 -2.343 1.00 0.00 C ATOM 504 OG1 THR A 34 -3.031 -13.882 -3.251 1.00 0.00 O ATOM 505 CG2 THR A 34 -2.054 -11.765 -3.240 1.00 0.00 C ATOM 0 H THR A 34 -3.265 -14.562 -0.720 1.00 0.00 H new ATOM 0 HA THR A 34 -0.944 -14.110 -2.075 1.00 0.00 H new ATOM 0 HB THR A 34 -3.439 -12.418 -1.725 1.00 0.00 H new ATOM 0 HG1 THR A 34 -3.586 -13.502 -3.964 1.00 0.00 H new ATOM 0 HG21 THR A 34 -2.840 -11.329 -3.856 1.00 0.00 H new ATOM 0 HG22 THR A 34 -1.605 -10.988 -2.621 1.00 0.00 H new ATOM 0 HG23 THR A 34 -1.291 -12.203 -3.883 1.00 0.00 H new ATOM 513 N PRO A 35 0.487 -12.258 -1.358 1.00 0.00 N ATOM 514 CA PRO A 35 1.449 -11.326 -0.796 1.00 0.00 C ATOM 515 C PRO A 35 0.995 -9.879 -0.999 1.00 0.00 C ATOM 516 O PRO A 35 0.362 -9.559 -2.005 1.00 0.00 O ATOM 517 CB PRO A 35 2.760 -11.641 -1.498 1.00 0.00 C ATOM 518 CG PRO A 35 2.385 -12.415 -2.752 1.00 0.00 C ATOM 519 CD PRO A 35 0.936 -12.853 -2.613 1.00 0.00 C ATOM 0 HA PRO A 35 1.555 -11.433 0.284 1.00 0.00 H new ATOM 0 HB2 PRO A 35 3.298 -10.727 -1.749 1.00 0.00 H new ATOM 0 HB3 PRO A 35 3.415 -12.230 -0.856 1.00 0.00 H new ATOM 0 HG2 PRO A 35 2.512 -11.792 -3.637 1.00 0.00 H new ATOM 0 HG3 PRO A 35 3.036 -13.281 -2.875 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.335 -12.505 -3.453 1.00 0.00 H new ATOM 0 HD3 PRO A 35 0.851 -13.939 -2.589 1.00 0.00 H new ATOM 527 N PHE A 36 1.335 -9.043 -0.029 1.00 0.00 N ATOM 528 CA PHE A 36 0.970 -7.638 -0.089 1.00 0.00 C ATOM 529 C PHE A 36 1.691 -6.933 -1.240 1.00 0.00 C ATOM 530 O PHE A 36 1.210 -5.924 -1.753 1.00 0.00 O ATOM 531 CB PHE A 36 1.406 -7.006 1.234 1.00 0.00 C ATOM 532 CG PHE A 36 0.580 -5.784 1.641 1.00 0.00 C ATOM 533 CD1 PHE A 36 0.816 -4.578 1.056 1.00 0.00 C ATOM 534 CD2 PHE A 36 -0.389 -5.902 2.588 1.00 0.00 C ATOM 535 CE1 PHE A 36 0.050 -3.444 1.434 1.00 0.00 C ATOM 536 CE2 PHE A 36 -1.155 -4.768 2.966 1.00 0.00 C ATOM 537 CZ PHE A 36 -0.919 -3.563 2.381 1.00 0.00 C ATOM 0 H PHE A 36 1.860 -9.312 0.803 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.103 -7.539 -0.253 1.00 0.00 H new ATOM 0 HB2 PHE A 36 1.340 -7.756 2.022 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.454 -6.715 1.158 1.00 0.00 H new ATOM 0 HD1 PHE A 36 1.586 -4.484 0.304 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.576 -6.859 3.053 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.237 -2.487 0.970 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.925 -4.862 3.718 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.501 -2.700 2.669 1.00 0.00 H new ATOM 547 N THR A 37 2.834 -7.493 -1.611 1.00 0.00 N ATOM 548 CA THR A 37 3.626 -6.930 -2.691 1.00 0.00 C ATOM 549 C THR A 37 2.771 -6.765 -3.949 1.00 0.00 C ATOM 550 O THR A 37 2.950 -5.811 -4.705 1.00 0.00 O ATOM 551 CB THR A 37 4.847 -7.829 -2.899 1.00 0.00 C ATOM 552 OG1 THR A 37 5.793 -6.984 -3.549 1.00 0.00 O ATOM 553 CG2 THR A 37 4.586 -8.945 -3.913 1.00 0.00 C ATOM 0 H THR A 37 3.230 -8.330 -1.183 1.00 0.00 H new ATOM 0 HA THR A 37 3.979 -5.929 -2.443 1.00 0.00 H new ATOM 0 HB THR A 37 5.143 -8.267 -1.945 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.617 -7.486 -3.721 1.00 0.00 H new ATOM 0 HG21 THR A 37 5.484 -9.553 -4.024 1.00 0.00 H new ATOM 0 HG22 THR A 37 3.765 -9.570 -3.563 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.324 -8.507 -4.876 1.00 0.00 H new ATOM 561 N ALA A 38 1.861 -7.710 -4.136 1.00 0.00 N ATOM 562 CA ALA A 38 0.979 -7.681 -5.290 1.00 0.00 C ATOM 563 C ALA A 38 0.040 -6.478 -5.179 1.00 0.00 C ATOM 564 O ALA A 38 -0.211 -5.788 -6.166 1.00 0.00 O ATOM 565 CB ALA A 38 0.219 -9.006 -5.385 1.00 0.00 C ATOM 0 H ALA A 38 1.716 -8.500 -3.508 1.00 0.00 H new ATOM 0 HA ALA A 38 1.554 -7.567 -6.209 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -0.443 -8.985 -6.251 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.929 -9.826 -5.491 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -0.371 -9.152 -4.481 1.00 0.00 H new ATOM 571 N VAL A 39 -0.453 -6.262 -3.968 1.00 0.00 N ATOM 572 CA VAL A 39 -1.358 -5.154 -3.715 1.00 0.00 C ATOM 573 C VAL A 39 -0.748 -3.866 -4.271 1.00 0.00 C ATOM 574 O VAL A 39 -1.394 -3.147 -5.032 1.00 0.00 O ATOM 575 CB VAL A 39 -1.676 -5.068 -2.221 1.00 0.00 C ATOM 576 CG1 VAL A 39 -2.608 -3.891 -1.925 1.00 0.00 C ATOM 577 CG2 VAL A 39 -2.273 -6.382 -1.711 1.00 0.00 C ATOM 0 H VAL A 39 -0.243 -6.836 -3.151 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.307 -5.312 -4.227 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.740 -4.896 -1.689 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.818 -3.853 -0.856 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.130 -2.962 -2.234 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.541 -4.019 -2.474 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.490 -6.294 -0.646 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.194 -6.597 -2.252 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.561 -7.191 -1.870 1.00 0.00 H new ATOM 587 N LEU A 40 0.489 -3.613 -3.870 1.00 0.00 N ATOM 588 CA LEU A 40 1.193 -2.424 -4.318 1.00 0.00 C ATOM 589 C LEU A 40 1.030 -2.281 -5.833 1.00 0.00 C ATOM 590 O LEU A 40 0.460 -1.301 -6.310 1.00 0.00 O ATOM 591 CB LEU A 40 2.652 -2.459 -3.857 1.00 0.00 C ATOM 592 CG LEU A 40 3.559 -1.363 -4.418 1.00 0.00 C ATOM 593 CD1 LEU A 40 2.842 -0.011 -4.432 1.00 0.00 C ATOM 594 CD2 LEU A 40 4.883 -1.302 -3.653 1.00 0.00 C ATOM 0 H LEU A 40 1.022 -4.212 -3.239 1.00 0.00 H new ATOM 0 HA LEU A 40 0.761 -1.532 -3.864 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.670 -2.396 -2.769 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.075 -3.427 -4.128 1.00 0.00 H new ATOM 0 HG LEU A 40 3.796 -1.612 -5.452 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.509 0.751 -4.835 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.950 -0.079 -5.055 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.555 0.259 -3.416 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.509 -0.514 -4.072 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.687 -1.089 -2.602 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.397 -2.259 -3.739 1.00 0.00 H new ATOM 606 N LYS A 41 1.542 -3.273 -6.547 1.00 0.00 N ATOM 607 CA LYS A 41 1.461 -3.270 -7.998 1.00 0.00 C ATOM 608 C LYS A 41 0.023 -2.962 -8.423 1.00 0.00 C ATOM 609 O LYS A 41 -0.234 -1.941 -9.059 1.00 0.00 O ATOM 610 CB LYS A 41 2.003 -4.582 -8.568 1.00 0.00 C ATOM 611 CG LYS A 41 3.515 -4.687 -8.359 1.00 0.00 C ATOM 612 CD LYS A 41 3.917 -6.111 -7.971 1.00 0.00 C ATOM 613 CE LYS A 41 5.376 -6.389 -8.339 1.00 0.00 C ATOM 614 NZ LYS A 41 6.138 -6.818 -7.145 1.00 0.00 N ATOM 0 H LYS A 41 2.014 -4.084 -6.148 1.00 0.00 H new ATOM 0 HA LYS A 41 2.092 -2.485 -8.413 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.506 -5.424 -8.087 1.00 0.00 H new ATOM 0 HB3 LYS A 41 1.774 -4.643 -9.632 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.033 -4.395 -9.272 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.827 -3.992 -7.580 1.00 0.00 H new ATOM 0 HD2 LYS A 41 3.775 -6.254 -6.900 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.268 -6.826 -8.476 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.423 -7.163 -9.105 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.828 -5.492 -8.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 7.126 -7.003 -7.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 6.108 -6.067 -6.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 5.716 -7.686 -6.757 1.00 0.00 H new ATOM 628 N PHE A 42 -0.875 -3.863 -8.054 1.00 0.00 N ATOM 629 CA PHE A 42 -2.279 -3.700 -8.389 1.00 0.00 C ATOM 630 C PHE A 42 -2.739 -2.262 -8.142 1.00 0.00 C ATOM 631 O PHE A 42 -3.125 -1.561 -9.077 1.00 0.00 O ATOM 632 CB PHE A 42 -3.069 -4.639 -7.475 1.00 0.00 C ATOM 633 CG PHE A 42 -4.433 -5.049 -8.033 1.00 0.00 C ATOM 634 CD1 PHE A 42 -5.301 -4.099 -8.475 1.00 0.00 C ATOM 635 CD2 PHE A 42 -4.779 -6.363 -8.087 1.00 0.00 C ATOM 636 CE1 PHE A 42 -6.567 -4.480 -8.992 1.00 0.00 C ATOM 637 CE2 PHE A 42 -6.045 -6.744 -8.604 1.00 0.00 C ATOM 638 CZ PHE A 42 -6.913 -5.794 -9.046 1.00 0.00 C ATOM 0 H PHE A 42 -0.658 -4.708 -7.526 1.00 0.00 H new ATOM 0 HA PHE A 42 -2.438 -3.928 -9.443 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -2.477 -5.536 -7.294 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -3.214 -4.153 -6.510 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -5.027 -3.055 -8.433 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -4.090 -7.117 -7.736 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -7.256 -3.726 -9.343 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -6.319 -7.788 -8.646 1.00 0.00 H new ATOM 0 HZ PHE A 42 -7.876 -6.083 -9.440 1.00 0.00 H new ATOM 648 N ALA A 43 -2.682 -1.865 -6.880 1.00 0.00 N ATOM 649 CA ALA A 43 -3.088 -0.523 -6.499 1.00 0.00 C ATOM 650 C ALA A 43 -2.489 0.485 -7.482 1.00 0.00 C ATOM 651 O ALA A 43 -3.217 1.247 -8.116 1.00 0.00 O ATOM 652 CB ALA A 43 -2.662 -0.251 -5.054 1.00 0.00 C ATOM 0 H ALA A 43 -2.361 -2.449 -6.108 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.173 -0.423 -6.544 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.967 0.756 -4.768 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.137 -0.975 -4.392 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.579 -0.340 -4.971 1.00 0.00 H new ATOM 658 N ALA A 44 -1.167 0.457 -7.577 1.00 0.00 N ATOM 659 CA ALA A 44 -0.462 1.359 -8.472 1.00 0.00 C ATOM 660 C ALA A 44 -1.176 1.389 -9.825 1.00 0.00 C ATOM 661 O ALA A 44 -1.605 2.448 -10.281 1.00 0.00 O ATOM 662 CB ALA A 44 0.998 0.919 -8.593 1.00 0.00 C ATOM 0 H ALA A 44 -0.566 -0.176 -7.049 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.465 2.374 -8.075 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.527 1.595 -9.264 1.00 0.00 H new ATOM 0 HB2 ALA A 44 1.468 0.942 -7.610 1.00 0.00 H new ATOM 0 HB3 ALA A 44 1.041 -0.095 -8.991 1.00 0.00 H new ATOM 668 N GLU A 45 -1.281 0.214 -10.429 1.00 0.00 N ATOM 669 CA GLU A 45 -1.936 0.093 -11.720 1.00 0.00 C ATOM 670 C GLU A 45 -3.349 0.676 -11.656 1.00 0.00 C ATOM 671 O GLU A 45 -3.831 1.254 -12.629 1.00 0.00 O ATOM 672 CB GLU A 45 -1.965 -1.364 -12.186 1.00 0.00 C ATOM 673 CG GLU A 45 -1.323 -1.511 -13.567 1.00 0.00 C ATOM 674 CD GLU A 45 -2.124 -2.476 -14.444 1.00 0.00 C ATOM 675 OE1 GLU A 45 -3.341 -2.232 -14.589 1.00 0.00 O ATOM 676 OE2 GLU A 45 -1.501 -3.435 -14.949 1.00 0.00 O ATOM 0 H GLU A 45 -0.924 -0.662 -10.048 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.362 0.663 -12.451 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -1.437 -1.990 -11.467 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.995 -1.718 -12.220 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.266 -0.536 -14.051 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.301 -1.874 -13.460 1.00 0.00 H new ATOM 683 N GLU A 46 -3.974 0.504 -10.500 1.00 0.00 N ATOM 684 CA GLU A 46 -5.322 1.006 -10.296 1.00 0.00 C ATOM 685 C GLU A 46 -5.329 2.536 -10.324 1.00 0.00 C ATOM 686 O GLU A 46 -6.314 3.149 -10.732 1.00 0.00 O ATOM 687 CB GLU A 46 -5.911 0.479 -8.987 1.00 0.00 C ATOM 688 CG GLU A 46 -7.146 -0.385 -9.250 1.00 0.00 C ATOM 689 CD GLU A 46 -8.397 0.482 -9.412 1.00 0.00 C ATOM 690 OE1 GLU A 46 -8.677 1.255 -8.471 1.00 0.00 O ATOM 691 OE2 GLU A 46 -9.044 0.351 -10.473 1.00 0.00 O ATOM 0 H GLU A 46 -3.571 0.024 -9.695 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.950 0.645 -11.110 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -5.160 -0.106 -8.456 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -6.179 1.316 -8.342 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.993 -0.981 -10.150 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -7.288 -1.084 -8.426 1.00 0.00 H new ATOM 698 N PHE A 47 -4.218 3.109 -9.884 1.00 0.00 N ATOM 699 CA PHE A 47 -4.083 4.555 -9.853 1.00 0.00 C ATOM 700 C PHE A 47 -3.399 5.070 -11.121 1.00 0.00 C ATOM 701 O PHE A 47 -3.298 6.278 -11.330 1.00 0.00 O ATOM 702 CB PHE A 47 -3.212 4.898 -8.643 1.00 0.00 C ATOM 703 CG PHE A 47 -4.003 5.148 -7.358 1.00 0.00 C ATOM 704 CD1 PHE A 47 -4.857 6.204 -7.280 1.00 0.00 C ATOM 705 CD2 PHE A 47 -3.852 4.316 -6.293 1.00 0.00 C ATOM 706 CE1 PHE A 47 -5.591 6.437 -6.087 1.00 0.00 C ATOM 707 CE2 PHE A 47 -4.587 4.548 -5.100 1.00 0.00 C ATOM 708 CZ PHE A 47 -5.440 5.604 -5.022 1.00 0.00 C ATOM 0 H PHE A 47 -3.403 2.597 -9.546 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.068 5.018 -9.790 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -2.509 4.083 -8.472 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -2.622 5.785 -8.873 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -4.977 6.865 -8.126 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -3.173 3.478 -6.354 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -6.269 7.275 -6.025 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -4.468 3.886 -4.255 1.00 0.00 H new ATOM 0 HZ PHE A 47 -5.998 5.782 -4.114 1.00 0.00 H new ATOM 718 N LYS A 48 -2.946 4.127 -11.935 1.00 0.00 N ATOM 719 CA LYS A 48 -2.274 4.470 -13.177 1.00 0.00 C ATOM 720 C LYS A 48 -0.887 5.034 -12.862 1.00 0.00 C ATOM 721 O LYS A 48 -0.587 6.177 -13.201 1.00 0.00 O ATOM 722 CB LYS A 48 -3.144 5.408 -14.015 1.00 0.00 C ATOM 723 CG LYS A 48 -3.385 4.830 -15.411 1.00 0.00 C ATOM 724 CD LYS A 48 -4.739 5.281 -15.965 1.00 0.00 C ATOM 725 CE LYS A 48 -4.831 5.019 -17.469 1.00 0.00 C ATOM 726 NZ LYS A 48 -4.484 6.240 -18.231 1.00 0.00 N ATOM 0 H LYS A 48 -3.031 3.126 -11.758 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.125 3.580 -13.789 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.099 5.569 -13.514 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.660 6.381 -14.099 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -2.588 5.149 -16.083 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.350 3.741 -15.369 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.541 4.752 -15.450 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.881 6.344 -15.768 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.157 4.208 -17.745 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.840 4.697 -17.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.552 6.044 -19.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.143 7.004 -17.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.513 6.530 -17.998 1.00 0.00 H new ATOM 740 N VAL A 49 -0.078 4.205 -12.217 1.00 0.00 N ATOM 741 CA VAL A 49 1.270 4.607 -11.853 1.00 0.00 C ATOM 742 C VAL A 49 2.239 3.465 -12.162 1.00 0.00 C ATOM 743 O VAL A 49 1.821 2.320 -12.328 1.00 0.00 O ATOM 744 CB VAL A 49 1.307 5.044 -10.388 1.00 0.00 C ATOM 745 CG1 VAL A 49 0.978 6.532 -10.250 1.00 0.00 C ATOM 746 CG2 VAL A 49 0.363 4.193 -9.537 1.00 0.00 C ATOM 0 H VAL A 49 -0.331 3.257 -11.937 1.00 0.00 H new ATOM 0 HA VAL A 49 1.585 5.468 -12.443 1.00 0.00 H new ATOM 0 HB VAL A 49 2.321 4.890 -10.019 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.011 6.816 -9.198 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.708 7.119 -10.808 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.020 6.722 -10.646 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.409 4.525 -8.500 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.657 4.300 -9.907 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.663 3.147 -9.597 1.00 0.00 H new ATOM 756 N PRO A 50 3.549 3.824 -12.230 1.00 0.00 N ATOM 757 CA PRO A 50 4.581 2.842 -12.516 1.00 0.00 C ATOM 758 C PRO A 50 4.851 1.960 -11.295 1.00 0.00 C ATOM 759 O PRO A 50 5.103 2.467 -10.202 1.00 0.00 O ATOM 760 CB PRO A 50 5.792 3.656 -12.940 1.00 0.00 C ATOM 761 CG PRO A 50 5.544 5.068 -12.433 1.00 0.00 C ATOM 762 CD PRO A 50 4.080 5.171 -12.039 1.00 0.00 C ATOM 0 HA PRO A 50 4.292 2.144 -13.302 1.00 0.00 H new ATOM 0 HB2 PRO A 50 6.708 3.244 -12.516 1.00 0.00 H new ATOM 0 HB3 PRO A 50 5.910 3.645 -14.024 1.00 0.00 H new ATOM 0 HG2 PRO A 50 6.185 5.285 -11.579 1.00 0.00 H new ATOM 0 HG3 PRO A 50 5.784 5.799 -13.206 1.00 0.00 H new ATOM 0 HD2 PRO A 50 3.970 5.497 -11.005 1.00 0.00 H new ATOM 0 HD3 PRO A 50 3.553 5.896 -12.659 1.00 0.00 H new ATOM 770 N ALA A 51 4.789 0.656 -11.521 1.00 0.00 N ATOM 771 CA ALA A 51 5.024 -0.301 -10.453 1.00 0.00 C ATOM 772 C ALA A 51 6.525 -0.573 -10.340 1.00 0.00 C ATOM 773 O ALA A 51 6.994 -1.650 -10.706 1.00 0.00 O ATOM 774 CB ALA A 51 4.219 -1.574 -10.722 1.00 0.00 C ATOM 0 H ALA A 51 4.579 0.240 -12.428 1.00 0.00 H new ATOM 0 HA ALA A 51 4.689 0.100 -9.497 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.395 -2.292 -9.921 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.157 -1.331 -10.764 1.00 0.00 H new ATOM 0 HB3 ALA A 51 4.530 -2.007 -11.673 1.00 0.00 H new ATOM 780 N ALA A 52 7.238 0.421 -9.831 1.00 0.00 N ATOM 781 CA ALA A 52 8.676 0.302 -9.665 1.00 0.00 C ATOM 782 C ALA A 52 9.179 1.444 -8.780 1.00 0.00 C ATOM 783 O ALA A 52 10.008 1.230 -7.896 1.00 0.00 O ATOM 784 CB ALA A 52 9.350 0.289 -11.039 1.00 0.00 C ATOM 0 H ALA A 52 6.846 1.313 -9.528 1.00 0.00 H new ATOM 0 HA ALA A 52 8.929 -0.635 -9.169 1.00 0.00 H new ATOM 0 HB1 ALA A 52 10.429 0.200 -10.914 1.00 0.00 H new ATOM 0 HB2 ALA A 52 8.980 -0.558 -11.618 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.121 1.216 -11.565 1.00 0.00 H new ATOM 790 N THR A 53 8.657 2.632 -9.047 1.00 0.00 N ATOM 791 CA THR A 53 9.043 3.808 -8.286 1.00 0.00 C ATOM 792 C THR A 53 7.988 4.125 -7.224 1.00 0.00 C ATOM 793 O THR A 53 7.691 5.291 -6.968 1.00 0.00 O ATOM 794 CB THR A 53 9.276 4.954 -9.272 1.00 0.00 C ATOM 795 OG1 THR A 53 7.986 5.207 -9.821 1.00 0.00 O ATOM 796 CG2 THR A 53 10.117 4.527 -10.477 1.00 0.00 C ATOM 0 H THR A 53 7.970 2.806 -9.780 1.00 0.00 H new ATOM 0 HA THR A 53 9.970 3.638 -7.738 1.00 0.00 H new ATOM 0 HB THR A 53 9.769 5.780 -8.759 1.00 0.00 H new ATOM 0 HG1 THR A 53 8.045 5.939 -10.470 1.00 0.00 H new ATOM 0 HG21 THR A 53 10.253 5.377 -11.146 1.00 0.00 H new ATOM 0 HG22 THR A 53 11.090 4.175 -10.135 1.00 0.00 H new ATOM 0 HG23 THR A 53 9.608 3.724 -11.010 1.00 0.00 H new ATOM 804 N SER A 54 7.450 3.067 -6.635 1.00 0.00 N ATOM 805 CA SER A 54 6.435 3.218 -5.607 1.00 0.00 C ATOM 806 C SER A 54 6.710 2.251 -4.453 1.00 0.00 C ATOM 807 O SER A 54 7.364 1.227 -4.640 1.00 0.00 O ATOM 808 CB SER A 54 5.035 2.981 -6.176 1.00 0.00 C ATOM 809 OG SER A 54 4.693 1.597 -6.195 1.00 0.00 O ATOM 0 H SER A 54 7.698 2.101 -6.850 1.00 0.00 H new ATOM 0 HA SER A 54 6.477 4.241 -5.233 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.304 3.527 -5.579 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.983 3.381 -7.189 1.00 0.00 H new ATOM 0 HG SER A 54 3.849 1.475 -6.678 1.00 0.00 H new ATOM 815 N ALA A 55 6.196 2.611 -3.286 1.00 0.00 N ATOM 816 CA ALA A 55 6.378 1.788 -2.103 1.00 0.00 C ATOM 817 C ALA A 55 5.360 2.202 -1.038 1.00 0.00 C ATOM 818 O ALA A 55 5.011 3.376 -0.931 1.00 0.00 O ATOM 819 CB ALA A 55 7.821 1.914 -1.610 1.00 0.00 C ATOM 0 H ALA A 55 5.654 3.462 -3.135 1.00 0.00 H new ATOM 0 HA ALA A 55 6.204 0.738 -2.336 1.00 0.00 H new ATOM 0 HB1 ALA A 55 7.957 1.296 -0.722 1.00 0.00 H new ATOM 0 HB2 ALA A 55 8.503 1.581 -2.392 1.00 0.00 H new ATOM 0 HB3 ALA A 55 8.032 2.955 -1.364 1.00 0.00 H new ATOM 825 N ILE A 56 4.912 1.213 -0.278 1.00 0.00 N ATOM 826 CA ILE A 56 3.941 1.459 0.775 1.00 0.00 C ATOM 827 C ILE A 56 4.649 1.435 2.131 1.00 0.00 C ATOM 828 O ILE A 56 5.566 0.643 2.343 1.00 0.00 O ATOM 829 CB ILE A 56 2.777 0.473 0.671 1.00 0.00 C ATOM 830 CG1 ILE A 56 1.977 0.701 -0.614 1.00 0.00 C ATOM 831 CG2 ILE A 56 1.890 0.537 1.916 1.00 0.00 C ATOM 832 CD1 ILE A 56 1.202 -0.558 -1.009 1.00 0.00 C ATOM 0 H ILE A 56 5.204 0.240 -0.371 1.00 0.00 H new ATOM 0 HA ILE A 56 3.500 2.449 0.663 1.00 0.00 H new ATOM 0 HB ILE A 56 3.188 -0.535 0.620 1.00 0.00 H new ATOM 0 HG12 ILE A 56 1.283 1.530 -0.472 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.652 0.985 -1.421 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.070 -0.174 1.816 1.00 0.00 H new ATOM 0 HG22 ILE A 56 2.481 0.287 2.797 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.486 1.544 2.024 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.642 -0.368 -1.925 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.900 -1.379 -1.174 1.00 0.00 H new ATOM 0 HD13 ILE A 56 0.510 -0.825 -0.210 1.00 0.00 H new ATOM 844 N ILE A 57 4.196 2.312 3.015 1.00 0.00 N ATOM 845 CA ILE A 57 4.774 2.401 4.345 1.00 0.00 C ATOM 846 C ILE A 57 3.652 2.547 5.375 1.00 0.00 C ATOM 847 O ILE A 57 2.544 2.961 5.037 1.00 0.00 O ATOM 848 CB ILE A 57 5.813 3.522 4.404 1.00 0.00 C ATOM 849 CG1 ILE A 57 5.239 4.830 3.855 1.00 0.00 C ATOM 850 CG2 ILE A 57 7.101 3.114 3.685 1.00 0.00 C ATOM 851 CD1 ILE A 57 5.898 6.040 4.521 1.00 0.00 C ATOM 0 H ILE A 57 3.435 2.967 2.836 1.00 0.00 H new ATOM 0 HA ILE A 57 5.313 1.485 4.588 1.00 0.00 H new ATOM 0 HB ILE A 57 6.069 3.696 5.449 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.393 4.875 2.777 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.163 4.858 4.024 1.00 0.00 H new ATOM 0 HG21 ILE A 57 7.823 3.929 3.742 1.00 0.00 H new ATOM 0 HG22 ILE A 57 7.518 2.226 4.161 1.00 0.00 H new ATOM 0 HG23 ILE A 57 6.881 2.896 2.640 1.00 0.00 H new ATOM 0 HD11 ILE A 57 5.472 6.957 4.113 1.00 0.00 H new ATOM 0 HD12 ILE A 57 5.721 6.005 5.596 1.00 0.00 H new ATOM 0 HD13 ILE A 57 6.971 6.022 4.329 1.00 0.00 H new ATOM 863 N THR A 58 3.978 2.199 6.612 1.00 0.00 N ATOM 864 CA THR A 58 3.012 2.287 7.693 1.00 0.00 C ATOM 865 C THR A 58 2.716 3.750 8.027 1.00 0.00 C ATOM 866 O THR A 58 3.358 4.654 7.494 1.00 0.00 O ATOM 867 CB THR A 58 3.558 1.491 8.881 1.00 0.00 C ATOM 868 OG1 THR A 58 4.848 2.052 9.110 1.00 0.00 O ATOM 869 CG2 THR A 58 3.844 0.031 8.525 1.00 0.00 C ATOM 0 H THR A 58 4.898 1.856 6.889 1.00 0.00 H new ATOM 0 HA THR A 58 2.055 1.853 7.404 1.00 0.00 H new ATOM 0 HB THR A 58 2.844 1.531 9.704 1.00 0.00 H new ATOM 0 HG1 THR A 58 5.005 2.128 10.074 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.229 -0.489 9.402 1.00 0.00 H new ATOM 0 HG22 THR A 58 2.924 -0.450 8.194 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.583 -0.010 7.725 1.00 0.00 H new ATOM 877 N ASN A 59 1.743 3.938 8.907 1.00 0.00 N ATOM 878 CA ASN A 59 1.354 5.277 9.318 1.00 0.00 C ATOM 879 C ASN A 59 2.513 5.930 10.073 1.00 0.00 C ATOM 880 O ASN A 59 2.510 7.140 10.294 1.00 0.00 O ATOM 881 CB ASN A 59 0.143 5.236 10.252 1.00 0.00 C ATOM 882 CG ASN A 59 0.349 4.213 11.371 1.00 0.00 C ATOM 883 OD1 ASN A 59 0.958 4.486 12.392 1.00 0.00 O ATOM 884 ND2 ASN A 59 -0.192 3.024 11.123 1.00 0.00 N ATOM 0 H ASN A 59 1.213 3.186 9.347 1.00 0.00 H new ATOM 0 HA ASN A 59 1.099 5.845 8.423 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.022 6.223 10.683 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -0.751 4.983 9.683 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -0.110 2.273 11.809 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -0.689 2.863 10.247 1.00 0.00 H new ATOM 891 N ASP A 60 3.475 5.101 10.449 1.00 0.00 N ATOM 892 CA ASP A 60 4.637 5.583 11.176 1.00 0.00 C ATOM 893 C ASP A 60 5.826 5.684 10.218 1.00 0.00 C ATOM 894 O ASP A 60 6.890 6.174 10.593 1.00 0.00 O ATOM 895 CB ASP A 60 5.019 4.623 12.304 1.00 0.00 C ATOM 896 CG ASP A 60 4.231 4.805 13.602 1.00 0.00 C ATOM 897 OD1 ASP A 60 4.055 5.977 14.000 1.00 0.00 O ATOM 898 OD2 ASP A 60 3.823 3.768 14.169 1.00 0.00 O ATOM 0 H ASP A 60 3.474 4.098 10.264 1.00 0.00 H new ATOM 0 HA ASP A 60 4.390 6.556 11.600 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.881 3.600 11.953 1.00 0.00 H new ATOM 0 HB3 ASP A 60 6.080 4.745 12.521 1.00 0.00 H new ATOM 903 N GLY A 61 5.606 5.212 9.000 1.00 0.00 N ATOM 904 CA GLY A 61 6.646 5.243 7.985 1.00 0.00 C ATOM 905 C GLY A 61 7.821 4.345 8.378 1.00 0.00 C ATOM 906 O GLY A 61 8.935 4.826 8.575 1.00 0.00 O ATOM 0 H GLY A 61 4.722 4.806 8.693 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.237 4.915 7.029 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.995 6.266 7.848 1.00 0.00 H new ATOM 910 N ILE A 62 7.531 3.056 8.479 1.00 0.00 N ATOM 911 CA ILE A 62 8.550 2.086 8.844 1.00 0.00 C ATOM 912 C ILE A 62 8.734 1.090 7.697 1.00 0.00 C ATOM 913 O ILE A 62 9.527 0.155 7.803 1.00 0.00 O ATOM 914 CB ILE A 62 8.208 1.427 10.181 1.00 0.00 C ATOM 915 CG1 ILE A 62 8.725 2.265 11.353 1.00 0.00 C ATOM 916 CG2 ILE A 62 8.726 -0.011 10.232 1.00 0.00 C ATOM 917 CD1 ILE A 62 10.177 1.911 11.681 1.00 0.00 C ATOM 0 H ILE A 62 6.605 2.661 8.314 1.00 0.00 H new ATOM 0 HA ILE A 62 9.510 2.580 8.995 1.00 0.00 H new ATOM 0 HB ILE A 62 7.123 1.381 10.272 1.00 0.00 H new ATOM 0 HG12 ILE A 62 8.652 3.324 11.108 1.00 0.00 H new ATOM 0 HG13 ILE A 62 8.099 2.097 12.229 1.00 0.00 H new ATOM 0 HG21 ILE A 62 8.469 -0.456 11.193 1.00 0.00 H new ATOM 0 HG22 ILE A 62 8.269 -0.591 9.430 1.00 0.00 H new ATOM 0 HG23 ILE A 62 9.809 -0.012 10.109 1.00 0.00 H new ATOM 0 HD11 ILE A 62 10.520 2.520 12.517 1.00 0.00 H new ATOM 0 HD12 ILE A 62 10.243 0.857 11.949 1.00 0.00 H new ATOM 0 HD13 ILE A 62 10.804 2.103 10.810 1.00 0.00 H new ATOM 929 N GLY A 63 7.989 1.324 6.627 1.00 0.00 N ATOM 930 CA GLY A 63 8.060 0.459 5.461 1.00 0.00 C ATOM 931 C GLY A 63 7.381 -0.885 5.734 1.00 0.00 C ATOM 932 O GLY A 63 7.165 -1.253 6.887 1.00 0.00 O ATOM 0 H GLY A 63 7.333 2.100 6.543 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.581 0.947 4.612 1.00 0.00 H new ATOM 0 HA3 GLY A 63 9.102 0.295 5.188 1.00 0.00 H new ATOM 936 N ILE A 64 7.062 -1.581 4.652 1.00 0.00 N ATOM 937 CA ILE A 64 6.412 -2.875 4.760 1.00 0.00 C ATOM 938 C ILE A 64 7.396 -3.971 4.345 1.00 0.00 C ATOM 939 O ILE A 64 8.426 -3.688 3.736 1.00 0.00 O ATOM 940 CB ILE A 64 5.107 -2.887 3.962 1.00 0.00 C ATOM 941 CG1 ILE A 64 4.348 -1.570 4.133 1.00 0.00 C ATOM 942 CG2 ILE A 64 4.247 -4.096 4.336 1.00 0.00 C ATOM 943 CD1 ILE A 64 3.720 -1.475 5.525 1.00 0.00 C ATOM 0 H ILE A 64 7.242 -1.272 3.697 1.00 0.00 H new ATOM 0 HA ILE A 64 6.129 -3.074 5.794 1.00 0.00 H new ATOM 0 HB ILE A 64 5.354 -2.982 2.905 1.00 0.00 H new ATOM 0 HG12 ILE A 64 5.028 -0.732 3.979 1.00 0.00 H new ATOM 0 HG13 ILE A 64 3.570 -1.493 3.373 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.325 -4.081 3.755 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.796 -5.013 4.122 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.006 -4.057 5.398 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.187 -0.529 5.620 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.023 -2.301 5.667 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.503 -1.527 6.282 1.00 0.00 H new ATOM 955 N ASN A 65 7.044 -5.201 4.693 1.00 0.00 N ATOM 956 CA ASN A 65 7.883 -6.340 4.364 1.00 0.00 C ATOM 957 C ASN A 65 7.015 -7.454 3.774 1.00 0.00 C ATOM 958 O ASN A 65 6.365 -8.195 4.510 1.00 0.00 O ATOM 959 CB ASN A 65 8.575 -6.892 5.612 1.00 0.00 C ATOM 960 CG ASN A 65 9.670 -5.940 6.097 1.00 0.00 C ATOM 961 OD1 ASN A 65 10.367 -5.307 5.321 1.00 0.00 O ATOM 962 ND2 ASN A 65 9.783 -5.875 7.421 1.00 0.00 N ATOM 0 H ASN A 65 6.189 -5.433 5.199 1.00 0.00 H new ATOM 0 HA ASN A 65 8.637 -6.009 3.649 1.00 0.00 H new ATOM 0 HB2 ASN A 65 7.841 -7.041 6.404 1.00 0.00 H new ATOM 0 HB3 ASN A 65 9.008 -7.868 5.391 1.00 0.00 H new ATOM 0 HD21 ASN A 65 10.486 -5.268 7.844 1.00 0.00 H new ATOM 0 HD22 ASN A 65 9.167 -6.432 8.013 1.00 0.00 H new ATOM 969 N PRO A 66 7.033 -7.539 2.417 1.00 0.00 N ATOM 970 CA PRO A 66 6.256 -8.549 1.719 1.00 0.00 C ATOM 971 C PRO A 66 6.907 -9.928 1.849 1.00 0.00 C ATOM 972 O PRO A 66 7.119 -10.614 0.851 1.00 0.00 O ATOM 973 CB PRO A 66 6.178 -8.062 0.282 1.00 0.00 C ATOM 974 CG PRO A 66 7.297 -7.046 0.124 1.00 0.00 C ATOM 975 CD PRO A 66 7.792 -6.678 1.514 1.00 0.00 C ATOM 0 HA PRO A 66 5.257 -8.675 2.137 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.300 -8.889 -0.418 1.00 0.00 H new ATOM 0 HB3 PRO A 66 5.208 -7.610 0.075 1.00 0.00 H new ATOM 0 HG2 PRO A 66 8.109 -7.462 -0.473 1.00 0.00 H new ATOM 0 HG3 PRO A 66 6.937 -6.160 -0.400 1.00 0.00 H new ATOM 0 HD2 PRO A 66 8.864 -6.849 1.611 1.00 0.00 H new ATOM 0 HD3 PRO A 66 7.617 -5.624 1.731 1.00 0.00 H new ATOM 983 N ALA A 67 7.206 -10.292 3.087 1.00 0.00 N ATOM 984 CA ALA A 67 7.829 -11.576 3.360 1.00 0.00 C ATOM 985 C ALA A 67 6.753 -12.582 3.774 1.00 0.00 C ATOM 986 O ALA A 67 6.982 -13.790 3.743 1.00 0.00 O ATOM 987 CB ALA A 67 8.908 -11.403 4.431 1.00 0.00 C ATOM 0 H ALA A 67 7.028 -9.720 3.913 1.00 0.00 H new ATOM 0 HA ALA A 67 8.317 -11.964 2.466 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.375 -12.366 4.636 1.00 0.00 H new ATOM 0 HB2 ALA A 67 9.663 -10.701 4.077 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.455 -11.018 5.345 1.00 0.00 H new ATOM 993 N GLN A 68 5.601 -12.046 4.151 1.00 0.00 N ATOM 994 CA GLN A 68 4.489 -12.882 4.570 1.00 0.00 C ATOM 995 C GLN A 68 3.254 -12.590 3.715 1.00 0.00 C ATOM 996 O GLN A 68 3.321 -11.808 2.769 1.00 0.00 O ATOM 997 CB GLN A 68 4.185 -12.686 6.057 1.00 0.00 C ATOM 998 CG GLN A 68 4.121 -11.199 6.412 1.00 0.00 C ATOM 999 CD GLN A 68 5.438 -10.726 7.032 1.00 0.00 C ATOM 1000 OE1 GLN A 68 6.067 -11.416 7.817 1.00 0.00 O ATOM 1001 NE2 GLN A 68 5.818 -9.514 6.636 1.00 0.00 N ATOM 0 H GLN A 68 5.414 -11.044 4.175 1.00 0.00 H new ATOM 0 HA GLN A 68 4.769 -13.925 4.425 1.00 0.00 H new ATOM 0 HB2 GLN A 68 3.237 -13.164 6.304 1.00 0.00 H new ATOM 0 HB3 GLN A 68 4.954 -13.174 6.656 1.00 0.00 H new ATOM 0 HG2 GLN A 68 3.907 -10.616 5.516 1.00 0.00 H new ATOM 0 HG3 GLN A 68 3.302 -11.023 7.110 1.00 0.00 H new ATOM 0 HE21 GLN A 68 5.244 -8.990 5.976 1.00 0.00 H new ATOM 0 HE22 GLN A 68 6.684 -9.109 6.993 1.00 0.00 H new ATOM 1010 N THR A 69 2.155 -13.235 4.080 1.00 0.00 N ATOM 1011 CA THR A 69 0.907 -13.054 3.358 1.00 0.00 C ATOM 1012 C THR A 69 0.329 -11.665 3.632 1.00 0.00 C ATOM 1013 O THR A 69 0.495 -11.123 4.724 1.00 0.00 O ATOM 1014 CB THR A 69 -0.036 -14.193 3.752 1.00 0.00 C ATOM 1015 OG1 THR A 69 -0.384 -13.904 5.103 1.00 0.00 O ATOM 1016 CG2 THR A 69 0.679 -15.544 3.833 1.00 0.00 C ATOM 0 H THR A 69 2.103 -13.883 4.866 1.00 0.00 H new ATOM 0 HA THR A 69 1.063 -13.100 2.280 1.00 0.00 H new ATOM 0 HB THR A 69 -0.850 -14.256 3.030 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.995 -14.593 5.438 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.035 -16.317 4.116 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.110 -15.786 2.862 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.472 -15.492 4.579 1.00 0.00 H new ATOM 1024 N ALA A 70 -0.338 -11.127 2.622 1.00 0.00 N ATOM 1025 CA ALA A 70 -0.942 -9.810 2.740 1.00 0.00 C ATOM 1026 C ALA A 70 -1.698 -9.718 4.067 1.00 0.00 C ATOM 1027 O ALA A 70 -1.500 -8.777 4.834 1.00 0.00 O ATOM 1028 CB ALA A 70 -1.848 -9.554 1.534 1.00 0.00 C ATOM 0 H ALA A 70 -0.474 -11.579 1.718 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.176 -9.035 2.742 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -2.301 -8.567 1.622 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.258 -9.602 0.619 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.632 -10.311 1.500 1.00 0.00 H new ATOM 1034 N GLY A 71 -2.548 -10.707 4.297 1.00 0.00 N ATOM 1035 CA GLY A 71 -3.335 -10.750 5.518 1.00 0.00 C ATOM 1036 C GLY A 71 -2.438 -10.628 6.752 1.00 0.00 C ATOM 1037 O GLY A 71 -2.894 -10.210 7.816 1.00 0.00 O ATOM 0 H GLY A 71 -2.709 -11.486 3.658 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -4.065 -9.941 5.513 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.895 -11.684 5.562 1.00 0.00 H new ATOM 1041 N ASN A 72 -1.180 -11.000 6.569 1.00 0.00 N ATOM 1042 CA ASN A 72 -0.216 -10.938 7.654 1.00 0.00 C ATOM 1043 C ASN A 72 0.560 -9.622 7.566 1.00 0.00 C ATOM 1044 O ASN A 72 1.152 -9.180 8.550 1.00 0.00 O ATOM 1045 CB ASN A 72 0.790 -12.087 7.564 1.00 0.00 C ATOM 1046 CG ASN A 72 0.128 -13.423 7.908 1.00 0.00 C ATOM 1047 OD1 ASN A 72 -1.084 -13.563 7.910 1.00 0.00 O ATOM 1048 ND2 ASN A 72 0.989 -14.395 8.198 1.00 0.00 N ATOM 0 H ASN A 72 -0.806 -11.346 5.685 1.00 0.00 H new ATOM 0 HA ASN A 72 -0.762 -11.010 8.595 1.00 0.00 H new ATOM 0 HB2 ASN A 72 1.207 -12.132 6.558 1.00 0.00 H new ATOM 0 HB3 ASN A 72 1.620 -11.902 8.245 1.00 0.00 H new ATOM 0 HD21 ASN A 72 0.646 -15.324 8.441 1.00 0.00 H new ATOM 0 HD22 ASN A 72 1.992 -14.211 8.178 1.00 0.00 H new ATOM 1055 N VAL A 73 0.533 -9.035 6.379 1.00 0.00 N ATOM 1056 CA VAL A 73 1.226 -7.778 6.150 1.00 0.00 C ATOM 1057 C VAL A 73 0.311 -6.617 6.541 1.00 0.00 C ATOM 1058 O VAL A 73 0.740 -5.684 7.219 1.00 0.00 O ATOM 1059 CB VAL A 73 1.703 -7.701 4.699 1.00 0.00 C ATOM 1060 CG1 VAL A 73 2.280 -6.320 4.384 1.00 0.00 C ATOM 1061 CG2 VAL A 73 2.721 -8.803 4.397 1.00 0.00 C ATOM 0 H VAL A 73 0.042 -9.406 5.565 1.00 0.00 H new ATOM 0 HA VAL A 73 2.117 -7.714 6.775 1.00 0.00 H new ATOM 0 HB VAL A 73 0.839 -7.858 4.054 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.612 -6.292 3.346 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.513 -5.561 4.540 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.127 -6.121 5.041 1.00 0.00 H new ATOM 0 HG21 VAL A 73 3.044 -8.726 3.359 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.583 -8.692 5.054 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.262 -9.778 4.562 1.00 0.00 H new ATOM 1071 N PHE A 74 -0.934 -6.711 6.098 1.00 0.00 N ATOM 1072 CA PHE A 74 -1.914 -5.679 6.393 1.00 0.00 C ATOM 1073 C PHE A 74 -2.356 -5.745 7.856 1.00 0.00 C ATOM 1074 O PHE A 74 -2.971 -4.809 8.365 1.00 0.00 O ATOM 1075 CB PHE A 74 -3.124 -5.941 5.494 1.00 0.00 C ATOM 1076 CG PHE A 74 -4.292 -6.625 6.208 1.00 0.00 C ATOM 1077 CD1 PHE A 74 -4.117 -7.843 6.785 1.00 0.00 C ATOM 1078 CD2 PHE A 74 -5.506 -6.013 6.264 1.00 0.00 C ATOM 1079 CE1 PHE A 74 -5.201 -8.477 7.448 1.00 0.00 C ATOM 1080 CE2 PHE A 74 -6.590 -6.648 6.926 1.00 0.00 C ATOM 1081 CZ PHE A 74 -6.415 -7.866 7.504 1.00 0.00 C ATOM 0 H PHE A 74 -1.287 -7.486 5.537 1.00 0.00 H new ATOM 0 HA PHE A 74 -1.482 -4.694 6.216 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -3.469 -4.993 5.081 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.812 -6.561 4.653 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -3.153 -8.329 6.739 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -5.645 -5.045 5.805 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.062 -9.444 7.908 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -7.554 -6.163 6.970 1.00 0.00 H new ATOM 0 HZ PHE A 74 -7.240 -8.348 8.008 1.00 0.00 H new ATOM 1091 N LEU A 75 -2.026 -6.860 8.491 1.00 0.00 N ATOM 1092 CA LEU A 75 -2.381 -7.061 9.885 1.00 0.00 C ATOM 1093 C LEU A 75 -1.237 -6.570 10.774 1.00 0.00 C ATOM 1094 O LEU A 75 -1.465 -5.844 11.741 1.00 0.00 O ATOM 1095 CB LEU A 75 -2.771 -8.519 10.134 1.00 0.00 C ATOM 1096 CG LEU A 75 -3.354 -8.831 11.514 1.00 0.00 C ATOM 1097 CD1 LEU A 75 -4.875 -8.977 11.446 1.00 0.00 C ATOM 1098 CD2 LEU A 75 -2.687 -10.065 12.125 1.00 0.00 C ATOM 0 H LEU A 75 -1.516 -7.634 8.065 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.261 -6.472 10.143 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.500 -8.814 9.379 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.888 -9.141 9.985 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.140 -7.990 12.173 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.264 -9.199 12.440 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.314 -8.047 11.083 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.133 -9.789 10.766 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.120 -10.265 13.105 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.848 -10.925 11.475 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.617 -9.886 12.230 1.00 0.00 H new ATOM 1110 N LYS A 76 -0.031 -6.986 10.416 1.00 0.00 N ATOM 1111 CA LYS A 76 1.149 -6.597 11.169 1.00 0.00 C ATOM 1112 C LYS A 76 1.412 -5.104 10.963 1.00 0.00 C ATOM 1113 O LYS A 76 1.789 -4.401 11.899 1.00 0.00 O ATOM 1114 CB LYS A 76 2.337 -7.487 10.800 1.00 0.00 C ATOM 1115 CG LYS A 76 2.991 -7.018 9.499 1.00 0.00 C ATOM 1116 CD LYS A 76 4.279 -7.795 9.221 1.00 0.00 C ATOM 1117 CE LYS A 76 5.469 -7.162 9.945 1.00 0.00 C ATOM 1118 NZ LYS A 76 6.604 -8.110 10.004 1.00 0.00 N ATOM 0 H LYS A 76 0.154 -7.589 9.614 1.00 0.00 H new ATOM 0 HA LYS A 76 0.986 -6.748 12.236 1.00 0.00 H new ATOM 0 HB2 LYS A 76 3.071 -7.472 11.606 1.00 0.00 H new ATOM 0 HB3 LYS A 76 2.003 -8.519 10.692 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.296 -7.151 8.670 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.211 -5.952 9.562 1.00 0.00 H new ATOM 0 HD2 LYS A 76 4.161 -8.829 9.544 1.00 0.00 H new ATOM 0 HD3 LYS A 76 4.471 -7.816 8.148 1.00 0.00 H new ATOM 0 HE2 LYS A 76 5.774 -6.252 9.429 1.00 0.00 H new ATOM 0 HE3 LYS A 76 5.176 -6.873 10.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 7.403 -7.664 10.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 6.314 -8.967 10.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 6.894 -8.365 9.038 1.00 0.00 H new ATOM 1132 N HIS A 77 1.202 -4.663 9.731 1.00 0.00 N ATOM 1133 CA HIS A 77 1.411 -3.267 9.390 1.00 0.00 C ATOM 1134 C HIS A 77 0.099 -2.497 9.549 1.00 0.00 C ATOM 1135 O HIS A 77 0.057 -1.465 10.217 1.00 0.00 O ATOM 1136 CB HIS A 77 2.010 -3.133 7.988 1.00 0.00 C ATOM 1137 CG HIS A 77 3.357 -3.798 7.830 1.00 0.00 C ATOM 1138 ND1 HIS A 77 4.550 -3.146 8.091 1.00 0.00 N ATOM 1139 CD2 HIS A 77 3.687 -5.062 7.437 1.00 0.00 C ATOM 1140 CE1 HIS A 77 5.546 -3.989 7.861 1.00 0.00 C ATOM 1141 NE2 HIS A 77 5.009 -5.175 7.455 1.00 0.00 N ATOM 0 H HIS A 77 0.889 -5.249 8.957 1.00 0.00 H new ATOM 0 HA HIS A 77 2.136 -2.827 10.075 1.00 0.00 H new ATOM 0 HB2 HIS A 77 1.317 -3.563 7.265 1.00 0.00 H new ATOM 0 HB3 HIS A 77 2.108 -2.075 7.745 1.00 0.00 H new ATOM 0 HD2 HIS A 77 2.990 -5.839 7.158 1.00 0.00 H new ATOM 0 HE1 HIS A 77 6.598 -3.775 7.975 1.00 0.00 H new ATOM 0 HE2 HIS A 77 5.537 -6.012 7.206 1.00 0.00 H new ATOM 1149 N GLY A 78 -0.942 -3.029 8.925 1.00 0.00 N ATOM 1150 CA GLY A 78 -2.252 -2.405 8.989 1.00 0.00 C ATOM 1151 C GLY A 78 -2.857 -2.255 7.591 1.00 0.00 C ATOM 1152 O GLY A 78 -2.203 -2.554 6.593 1.00 0.00 O ATOM 0 H GLY A 78 -0.904 -3.886 8.373 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -2.914 -3.005 9.613 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -2.170 -1.426 9.461 1.00 0.00 H new ATOM 1156 N SER A 79 -4.098 -1.792 7.565 1.00 0.00 N ATOM 1157 CA SER A 79 -4.798 -1.598 6.306 1.00 0.00 C ATOM 1158 C SER A 79 -4.616 -0.158 5.823 1.00 0.00 C ATOM 1159 O SER A 79 -4.418 0.080 4.632 1.00 0.00 O ATOM 1160 CB SER A 79 -6.285 -1.927 6.447 1.00 0.00 C ATOM 1161 OG SER A 79 -7.087 -1.170 5.545 1.00 0.00 O ATOM 0 H SER A 79 -4.637 -1.546 8.395 1.00 0.00 H new ATOM 0 HA SER A 79 -4.372 -2.278 5.569 1.00 0.00 H new ATOM 0 HB2 SER A 79 -6.440 -2.990 6.265 1.00 0.00 H new ATOM 0 HB3 SER A 79 -6.605 -1.729 7.470 1.00 0.00 H new ATOM 0 HG SER A 79 -7.400 -1.750 4.820 1.00 0.00 H new ATOM 1167 N GLU A 80 -4.690 0.764 6.771 1.00 0.00 N ATOM 1168 CA GLU A 80 -4.536 2.174 6.456 1.00 0.00 C ATOM 1169 C GLU A 80 -3.056 2.521 6.284 1.00 0.00 C ATOM 1170 O GLU A 80 -2.329 2.658 7.266 1.00 0.00 O ATOM 1171 CB GLU A 80 -5.183 3.050 7.531 1.00 0.00 C ATOM 1172 CG GLU A 80 -6.693 2.812 7.596 1.00 0.00 C ATOM 1173 CD GLU A 80 -7.412 4.016 8.210 1.00 0.00 C ATOM 1174 OE1 GLU A 80 -7.363 4.132 9.454 1.00 0.00 O ATOM 1175 OE2 GLU A 80 -7.993 4.792 7.422 1.00 0.00 O ATOM 0 H GLU A 80 -4.855 0.562 7.757 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.048 2.374 5.515 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.735 2.833 8.501 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.986 4.100 7.317 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -7.079 2.626 6.594 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -6.899 1.920 8.188 1.00 0.00 H new ATOM 1182 N LEU A 81 -2.655 2.654 5.028 1.00 0.00 N ATOM 1183 CA LEU A 81 -1.274 2.983 4.715 1.00 0.00 C ATOM 1184 C LEU A 81 -1.244 4.031 3.601 1.00 0.00 C ATOM 1185 O LEU A 81 -2.289 4.415 3.077 1.00 0.00 O ATOM 1186 CB LEU A 81 -0.483 1.715 4.387 1.00 0.00 C ATOM 1187 CG LEU A 81 -0.861 0.464 5.183 1.00 0.00 C ATOM 1188 CD1 LEU A 81 -0.614 -0.803 4.362 1.00 0.00 C ATOM 1189 CD2 LEU A 81 -0.130 0.428 6.527 1.00 0.00 C ATOM 0 H LEU A 81 -3.261 2.540 4.216 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.781 3.424 5.582 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.607 1.498 3.326 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.575 1.919 4.549 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.929 0.505 5.398 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.891 -1.678 4.951 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.216 -0.771 3.454 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.441 -0.864 4.096 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.416 -0.471 7.073 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.946 0.421 6.356 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.399 1.308 7.111 1.00 0.00 H new ATOM 1201 N ARG A 82 -0.036 4.466 3.273 1.00 0.00 N ATOM 1202 CA ARG A 82 0.143 5.463 2.232 1.00 0.00 C ATOM 1203 C ARG A 82 1.178 4.984 1.211 1.00 0.00 C ATOM 1204 O ARG A 82 2.151 4.323 1.572 1.00 0.00 O ATOM 1205 CB ARG A 82 0.599 6.799 2.821 1.00 0.00 C ATOM 1206 CG ARG A 82 -0.579 7.556 3.438 1.00 0.00 C ATOM 1207 CD ARG A 82 -0.197 8.154 4.793 1.00 0.00 C ATOM 1208 NE ARG A 82 -1.299 7.958 5.761 1.00 0.00 N ATOM 1209 CZ ARG A 82 -2.512 8.515 5.642 1.00 0.00 C ATOM 1210 NH1 ARG A 82 -2.786 9.307 4.597 1.00 0.00 N ATOM 1211 NH2 ARG A 82 -3.451 8.282 6.569 1.00 0.00 N ATOM 0 H ARG A 82 0.828 4.146 3.710 1.00 0.00 H new ATOM 0 HA ARG A 82 -0.819 5.605 1.740 1.00 0.00 H new ATOM 0 HB2 ARG A 82 1.362 6.625 3.580 1.00 0.00 H new ATOM 0 HB3 ARG A 82 1.058 7.407 2.041 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -0.899 8.350 2.763 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -1.426 6.881 3.560 1.00 0.00 H new ATOM 0 HD2 ARG A 82 0.713 7.682 5.165 1.00 0.00 H new ATOM 0 HD3 ARG A 82 0.017 9.217 4.683 1.00 0.00 H new ATOM 0 HE ARG A 82 -1.124 7.361 6.570 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -2.071 9.486 3.892 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -3.709 9.731 4.507 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -3.243 7.680 7.366 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -4.374 8.706 6.478 1.00 0.00 H new ATOM 1225 N ILE A 83 0.933 5.335 -0.042 1.00 0.00 N ATOM 1226 CA ILE A 83 1.832 4.950 -1.117 1.00 0.00 C ATOM 1227 C ILE A 83 2.732 6.134 -1.473 1.00 0.00 C ATOM 1228 O ILE A 83 2.243 7.218 -1.787 1.00 0.00 O ATOM 1229 CB ILE A 83 1.040 4.400 -2.306 1.00 0.00 C ATOM 1230 CG1 ILE A 83 1.907 3.473 -3.160 1.00 0.00 C ATOM 1231 CG2 ILE A 83 0.431 5.535 -3.131 1.00 0.00 C ATOM 1232 CD1 ILE A 83 1.113 2.914 -4.342 1.00 0.00 C ATOM 0 H ILE A 83 0.125 5.882 -0.338 1.00 0.00 H new ATOM 0 HA ILE A 83 2.485 4.139 -0.795 1.00 0.00 H new ATOM 0 HB ILE A 83 0.214 3.803 -1.919 1.00 0.00 H new ATOM 0 HG12 ILE A 83 2.777 4.018 -3.527 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.281 2.652 -2.548 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.126 5.117 -3.969 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -0.242 6.120 -2.504 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.226 6.178 -3.508 1.00 0.00 H new ATOM 0 HD11 ILE A 83 1.753 2.258 -4.933 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.258 2.349 -3.971 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.762 3.736 -4.966 1.00 0.00 H new ATOM 1244 N ILE A 84 4.033 5.887 -1.412 1.00 0.00 N ATOM 1245 CA ILE A 84 5.006 6.920 -1.723 1.00 0.00 C ATOM 1246 C ILE A 84 6.049 6.357 -2.691 1.00 0.00 C ATOM 1247 O ILE A 84 6.249 5.145 -2.756 1.00 0.00 O ATOM 1248 CB ILE A 84 5.606 7.496 -0.439 1.00 0.00 C ATOM 1249 CG1 ILE A 84 6.445 6.446 0.293 1.00 0.00 C ATOM 1250 CG2 ILE A 84 4.517 8.087 0.458 1.00 0.00 C ATOM 1251 CD1 ILE A 84 7.940 6.708 0.103 1.00 0.00 C ATOM 0 H ILE A 84 4.435 4.987 -1.152 1.00 0.00 H new ATOM 0 HA ILE A 84 4.524 7.759 -2.225 1.00 0.00 H new ATOM 0 HB ILE A 84 6.276 8.311 -0.711 1.00 0.00 H new ATOM 0 HG12 ILE A 84 6.202 6.458 1.356 1.00 0.00 H new ATOM 0 HG13 ILE A 84 6.196 5.452 -0.080 1.00 0.00 H new ATOM 0 HG21 ILE A 84 4.970 8.490 1.364 1.00 0.00 H new ATOM 0 HG22 ILE A 84 4.000 8.885 -0.075 1.00 0.00 H new ATOM 0 HG23 ILE A 84 3.803 7.308 0.725 1.00 0.00 H new ATOM 0 HD11 ILE A 84 8.513 5.947 0.633 1.00 0.00 H new ATOM 0 HD12 ILE A 84 8.184 6.671 -0.959 1.00 0.00 H new ATOM 0 HD13 ILE A 84 8.190 7.692 0.499 1.00 0.00 H new ATOM 1263 N PRO A 85 6.702 7.287 -3.438 1.00 0.00 N ATOM 1264 CA PRO A 85 7.719 6.896 -4.399 1.00 0.00 C ATOM 1265 C PRO A 85 9.017 6.501 -3.693 1.00 0.00 C ATOM 1266 O PRO A 85 9.549 7.265 -2.889 1.00 0.00 O ATOM 1267 CB PRO A 85 7.881 8.100 -5.312 1.00 0.00 C ATOM 1268 CG PRO A 85 7.295 9.280 -4.554 1.00 0.00 C ATOM 1269 CD PRO A 85 6.490 8.731 -3.387 1.00 0.00 C ATOM 0 HA PRO A 85 7.438 6.013 -4.973 1.00 0.00 H new ATOM 0 HB2 PRO A 85 8.931 8.271 -5.550 1.00 0.00 H new ATOM 0 HB3 PRO A 85 7.361 7.946 -6.257 1.00 0.00 H new ATOM 0 HG2 PRO A 85 8.089 9.936 -4.195 1.00 0.00 H new ATOM 0 HG3 PRO A 85 6.660 9.877 -5.209 1.00 0.00 H new ATOM 0 HD2 PRO A 85 6.831 9.148 -2.439 1.00 0.00 H new ATOM 0 HD3 PRO A 85 5.433 8.980 -3.483 1.00 0.00 H new ATOM 1277 N ARG A 86 9.491 5.307 -4.019 1.00 0.00 N ATOM 1278 CA ARG A 86 10.717 4.801 -3.426 1.00 0.00 C ATOM 1279 C ARG A 86 11.934 5.368 -4.159 1.00 0.00 C ATOM 1280 O ARG A 86 13.027 5.430 -3.598 1.00 0.00 O ATOM 1281 CB ARG A 86 10.765 3.272 -3.479 1.00 0.00 C ATOM 1282 CG ARG A 86 10.569 2.767 -4.910 1.00 0.00 C ATOM 1283 CD ARG A 86 11.444 1.542 -5.183 1.00 0.00 C ATOM 1284 NE ARG A 86 10.777 0.321 -4.681 1.00 0.00 N ATOM 1285 CZ ARG A 86 11.372 -0.876 -4.586 1.00 0.00 C ATOM 1286 NH1 ARG A 86 12.651 -1.019 -4.959 1.00 0.00 N ATOM 1287 NH2 ARG A 86 10.689 -1.929 -4.119 1.00 0.00 N ATOM 0 H ARG A 86 9.048 4.676 -4.686 1.00 0.00 H new ATOM 0 HA ARG A 86 10.736 5.118 -2.383 1.00 0.00 H new ATOM 0 HB2 ARG A 86 11.722 2.921 -3.094 1.00 0.00 H new ATOM 0 HB3 ARG A 86 9.990 2.858 -2.834 1.00 0.00 H new ATOM 0 HG2 ARG A 86 9.521 2.513 -5.070 1.00 0.00 H new ATOM 0 HG3 ARG A 86 10.816 3.560 -5.616 1.00 0.00 H new ATOM 0 HD2 ARG A 86 11.631 1.450 -6.253 1.00 0.00 H new ATOM 0 HD3 ARG A 86 12.413 1.662 -4.699 1.00 0.00 H new ATOM 0 HE ARG A 86 9.803 0.395 -4.389 1.00 0.00 H new ATOM 0 HH11 ARG A 86 13.171 -0.217 -5.315 1.00 0.00 H new ATOM 0 HH12 ARG A 86 13.104 -1.930 -4.887 1.00 0.00 H new ATOM 0 HH21 ARG A 86 9.715 -1.820 -3.835 1.00 0.00 H new ATOM 0 HH22 ARG A 86 11.142 -2.840 -4.047 1.00 0.00 H new