USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 564 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.401 X(o=-0.4,f=-0.021) USER MOD Single : A 11 SER OG : rot 180:sc= -0.942 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.037 K(o=-0.037,f=-1.7!) USER MOD Single : A 27 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00216) USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 37 LYS NZ :NH3+ 170:sc= -1.29 (180deg=-1.35) USER MOD Single : A 38 SER OG : rot 46:sc= 0.716 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 49 ASN : amide:sc= -0.411 X(o=-0.41,f=-0.025) USER MOD Single : A 57 THR OG1 : rot 86:sc= 0.563 USER MOD Single : A 59 SER OG : rot -178:sc= 0.747 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc= -0.0251 X(o=-0.025,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl -147:sc= -0.149 (180deg=-1.48) USER MOD Single : A 73 TYR OH : rot 180:sc= -0.968 USER MOD Single : A 74 SER OG : rot -48:sc= 0.796 USER MOD ----------------------------------------------------------------- ATOM 97 N LYS A 4 6.703 2.530 -1.074 1.00 0.00 N ATOM 98 CA LYS A 4 5.376 2.513 -0.471 1.00 0.00 C ATOM 99 C LYS A 4 4.539 1.366 -1.029 1.00 0.00 C ATOM 100 O LYS A 4 4.894 0.762 -2.042 1.00 0.00 O ATOM 101 CB LYS A 4 4.664 3.845 -0.717 1.00 0.00 C ATOM 102 CG LYS A 4 5.416 5.046 -0.168 1.00 0.00 C ATOM 103 CD LYS A 4 4.759 6.352 -0.583 1.00 0.00 C ATOM 104 CE LYS A 4 5.717 7.526 -0.446 1.00 0.00 C ATOM 105 NZ LYS A 4 5.247 8.716 -1.208 1.00 0.00 N ATOM 0 HA LYS A 4 5.494 2.364 0.602 1.00 0.00 H new ATOM 0 HB2 LYS A 4 4.518 3.977 -1.789 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.674 3.808 -0.263 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.454 4.986 0.920 1.00 0.00 H new ATOM 0 HG3 LYS A 4 6.446 5.026 -0.525 1.00 0.00 H new ATOM 0 HD2 LYS A 4 4.419 6.277 -1.616 1.00 0.00 H new ATOM 0 HD3 LYS A 4 3.876 6.528 0.032 1.00 0.00 H new ATOM 0 HE2 LYS A 4 5.823 7.787 0.607 1.00 0.00 H new ATOM 0 HE3 LYS A 4 6.704 7.233 -0.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 5.926 9.495 -1.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 5.170 8.474 -2.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 4.316 9.012 -0.851 1.00 0.00 H new ATOM 119 N LEU A 5 3.426 1.074 -0.365 1.00 0.00 N ATOM 120 CA LEU A 5 2.537 0.002 -0.797 1.00 0.00 C ATOM 121 C LEU A 5 1.228 0.564 -1.341 1.00 0.00 C ATOM 122 O LEU A 5 0.600 1.419 -0.714 1.00 0.00 O ATOM 123 CB LEU A 5 2.252 -0.950 0.366 1.00 0.00 C ATOM 124 CG LEU A 5 3.443 -1.289 1.264 1.00 0.00 C ATOM 125 CD1 LEU A 5 2.978 -2.017 2.515 1.00 0.00 C ATOM 126 CD2 LEU A 5 4.462 -2.126 0.504 1.00 0.00 C ATOM 0 H LEU A 5 3.118 1.565 0.474 1.00 0.00 H new ATOM 0 HA LEU A 5 3.034 -0.548 -1.596 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.469 -0.511 0.985 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.853 -1.879 -0.041 1.00 0.00 H new ATOM 0 HG LEU A 5 3.922 -0.358 1.568 1.00 0.00 H new ATOM 0 HD11 LEU A 5 3.839 -2.250 3.142 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.287 -1.382 3.070 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.474 -2.941 2.232 1.00 0.00 H new ATOM 0 HD21 LEU A 5 5.303 -2.358 1.158 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.995 -3.053 0.170 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.819 -1.567 -0.361 1.00 0.00 H new ATOM 138 N TYR A 6 0.820 0.079 -2.509 1.00 0.00 N ATOM 139 CA TYR A 6 -0.414 0.535 -3.137 1.00 0.00 C ATOM 140 C TYR A 6 -1.579 -0.380 -2.771 1.00 0.00 C ATOM 141 O TYR A 6 -1.503 -1.597 -2.937 1.00 0.00 O ATOM 142 CB TYR A 6 -0.248 0.586 -4.656 1.00 0.00 C ATOM 143 CG TYR A 6 -1.541 0.380 -5.414 1.00 0.00 C ATOM 144 CD1 TYR A 6 -2.614 1.248 -5.245 1.00 0.00 C ATOM 145 CD2 TYR A 6 -1.690 -0.681 -6.298 1.00 0.00 C ATOM 146 CE1 TYR A 6 -3.796 1.063 -5.934 1.00 0.00 C ATOM 147 CE2 TYR A 6 -2.868 -0.873 -6.993 1.00 0.00 C ATOM 148 CZ TYR A 6 -3.919 0.002 -6.807 1.00 0.00 C ATOM 149 OH TYR A 6 -5.095 -0.184 -7.496 1.00 0.00 O ATOM 0 H TYR A 6 1.326 -0.630 -3.040 1.00 0.00 H new ATOM 0 HA TYR A 6 -0.632 1.537 -2.769 1.00 0.00 H new ATOM 0 HB2 TYR A 6 0.177 1.550 -4.934 1.00 0.00 H new ATOM 0 HB3 TYR A 6 0.468 -0.178 -4.961 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -2.521 2.081 -4.563 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -0.870 -1.368 -6.445 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -4.620 1.746 -5.790 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -2.966 -1.703 -7.678 1.00 0.00 H new ATOM 0 HH TYR A 6 -5.017 -0.975 -8.069 1.00 0.00 H new ATOM 159 N ILE A 7 -2.658 0.217 -2.275 1.00 0.00 N ATOM 160 CA ILE A 7 -3.841 -0.541 -1.888 1.00 0.00 C ATOM 161 C ILE A 7 -4.993 -0.293 -2.855 1.00 0.00 C ATOM 162 O ILE A 7 -5.424 0.844 -3.046 1.00 0.00 O ATOM 163 CB ILE A 7 -4.297 -0.183 -0.461 1.00 0.00 C ATOM 164 CG1 ILE A 7 -3.098 -0.157 0.490 1.00 0.00 C ATOM 165 CG2 ILE A 7 -5.344 -1.175 0.025 1.00 0.00 C ATOM 166 CD1 ILE A 7 -3.464 0.198 1.914 1.00 0.00 C ATOM 0 H ILE A 7 -2.737 1.224 -2.132 1.00 0.00 H new ATOM 0 HA ILE A 7 -3.565 -1.595 -1.919 1.00 0.00 H new ATOM 0 HB ILE A 7 -4.745 0.810 -0.477 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.616 -1.134 0.480 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.367 0.563 0.121 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -5.656 -0.909 1.035 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -6.207 -1.149 -0.641 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.920 -2.179 0.029 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.566 0.197 2.531 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.919 1.188 1.937 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -4.171 -0.535 2.302 1.00 0.00 H new ATOM 178 N GLY A 8 -5.491 -1.367 -3.462 1.00 0.00 N ATOM 179 CA GLY A 8 -6.591 -1.245 -4.401 1.00 0.00 C ATOM 180 C GLY A 8 -7.853 -1.925 -3.907 1.00 0.00 C ATOM 181 O GLY A 8 -7.804 -2.749 -2.995 1.00 0.00 O ATOM 0 H GLY A 8 -5.152 -2.319 -3.320 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -6.797 -0.190 -4.580 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -6.298 -1.679 -5.357 1.00 0.00 H new ATOM 185 N ASN A 9 -8.985 -1.579 -4.510 1.00 0.00 N ATOM 186 CA ASN A 9 -10.265 -2.161 -4.125 1.00 0.00 C ATOM 187 C ASN A 9 -10.718 -1.629 -2.770 1.00 0.00 C ATOM 188 O ASN A 9 -11.166 -2.389 -1.910 1.00 0.00 O ATOM 189 CB ASN A 9 -10.162 -3.687 -4.078 1.00 0.00 C ATOM 190 CG ASN A 9 -11.483 -4.365 -4.388 1.00 0.00 C ATOM 191 OD1 ASN A 9 -11.831 -4.571 -5.551 1.00 0.00 O ATOM 192 ND2 ASN A 9 -12.226 -4.716 -3.344 1.00 0.00 N ATOM 0 H ASN A 9 -9.042 -0.898 -5.267 1.00 0.00 H new ATOM 0 HA ASN A 9 -11.005 -1.877 -4.873 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -9.409 -4.020 -4.793 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -9.822 -3.995 -3.090 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -13.125 -5.176 -3.489 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -11.898 -4.525 -2.397 1.00 0.00 H new ATOM 199 N LEU A 10 -10.600 -0.318 -2.584 1.00 0.00 N ATOM 200 CA LEU A 10 -10.998 0.317 -1.333 1.00 0.00 C ATOM 201 C LEU A 10 -12.356 0.996 -1.476 1.00 0.00 C ATOM 202 O LEU A 10 -12.511 1.940 -2.250 1.00 0.00 O ATOM 203 CB LEU A 10 -9.946 1.339 -0.901 1.00 0.00 C ATOM 204 CG LEU A 10 -8.612 0.768 -0.420 1.00 0.00 C ATOM 205 CD1 LEU A 10 -7.614 1.886 -0.162 1.00 0.00 C ATOM 206 CD2 LEU A 10 -8.813 -0.069 0.836 1.00 0.00 C ATOM 0 H LEU A 10 -10.232 0.325 -3.284 1.00 0.00 H new ATOM 0 HA LEU A 10 -11.078 -0.457 -0.570 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.751 2.006 -1.740 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -10.367 1.948 -0.101 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.211 0.124 -1.203 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.671 1.460 0.180 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.447 2.445 -1.083 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -8.008 2.556 0.603 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -7.853 -0.468 1.165 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -9.237 0.554 1.624 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -9.493 -0.893 0.619 1.00 0.00 H new ATOM 218 N SER A 11 -13.338 0.510 -0.722 1.00 0.00 N ATOM 219 CA SER A 11 -14.684 1.070 -0.765 1.00 0.00 C ATOM 220 C SER A 11 -14.641 2.593 -0.699 1.00 0.00 C ATOM 221 O SER A 11 -13.815 3.188 -0.006 1.00 0.00 O ATOM 222 CB SER A 11 -15.524 0.521 0.389 1.00 0.00 C ATOM 223 OG SER A 11 -16.901 0.503 0.055 1.00 0.00 O ATOM 0 H SER A 11 -13.226 -0.270 -0.074 1.00 0.00 H new ATOM 0 HA SER A 11 -15.143 0.778 -1.710 1.00 0.00 H new ATOM 0 HB2 SER A 11 -15.193 -0.488 0.636 1.00 0.00 H new ATOM 0 HB3 SER A 11 -15.370 1.133 1.278 1.00 0.00 H new ATOM 0 HG SER A 11 -17.416 0.146 0.809 1.00 0.00 H new ATOM 229 N PRO A 12 -15.553 3.242 -1.439 1.00 0.00 N ATOM 230 CA PRO A 12 -15.642 4.704 -1.481 1.00 0.00 C ATOM 231 C PRO A 12 -16.144 5.293 -0.167 1.00 0.00 C ATOM 232 O PRO A 12 -16.283 6.509 -0.034 1.00 0.00 O ATOM 233 CB PRO A 12 -16.648 4.966 -2.604 1.00 0.00 C ATOM 234 CG PRO A 12 -17.482 3.733 -2.661 1.00 0.00 C ATOM 235 CD PRO A 12 -16.568 2.599 -2.289 1.00 0.00 C ATOM 0 HA PRO A 12 -14.669 5.167 -1.645 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -17.256 5.846 -2.393 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -16.144 5.147 -3.553 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -18.324 3.799 -1.971 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -17.898 3.588 -3.658 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -17.101 1.813 -1.754 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -16.121 2.138 -3.170 1.00 0.00 H new ATOM 243 N ALA A 13 -16.415 4.424 0.801 1.00 0.00 N ATOM 244 CA ALA A 13 -16.899 4.858 2.104 1.00 0.00 C ATOM 245 C ALA A 13 -15.792 4.794 3.151 1.00 0.00 C ATOM 246 O ALA A 13 -15.889 5.414 4.210 1.00 0.00 O ATOM 247 CB ALA A 13 -18.086 4.010 2.536 1.00 0.00 C ATOM 0 H ALA A 13 -16.307 3.414 0.706 1.00 0.00 H new ATOM 0 HA ALA A 13 -17.221 5.896 2.016 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -18.437 4.346 3.512 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -18.890 4.111 1.807 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -17.783 2.965 2.600 1.00 0.00 H new ATOM 253 N VAL A 14 -14.740 4.040 2.847 1.00 0.00 N ATOM 254 CA VAL A 14 -13.614 3.896 3.762 1.00 0.00 C ATOM 255 C VAL A 14 -12.960 5.244 4.046 1.00 0.00 C ATOM 256 O VAL A 14 -13.099 6.190 3.270 1.00 0.00 O ATOM 257 CB VAL A 14 -12.554 2.932 3.198 1.00 0.00 C ATOM 258 CG1 VAL A 14 -11.381 2.806 4.159 1.00 0.00 C ATOM 259 CG2 VAL A 14 -13.170 1.569 2.915 1.00 0.00 C ATOM 0 H VAL A 14 -14.644 3.520 1.975 1.00 0.00 H new ATOM 0 HA VAL A 14 -14.011 3.486 4.691 1.00 0.00 H new ATOM 0 HB VAL A 14 -12.181 3.340 2.258 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -10.642 2.121 3.743 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -10.925 3.785 4.307 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -11.734 2.422 5.116 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -12.407 0.900 2.517 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -13.572 1.152 3.839 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -13.973 1.677 2.186 1.00 0.00 H new ATOM 269 N THR A 15 -12.243 5.324 5.162 1.00 0.00 N ATOM 270 CA THR A 15 -11.567 6.556 5.550 1.00 0.00 C ATOM 271 C THR A 15 -10.195 6.265 6.148 1.00 0.00 C ATOM 272 O THR A 15 -9.916 5.144 6.569 1.00 0.00 O ATOM 273 CB THR A 15 -12.399 7.357 6.568 1.00 0.00 C ATOM 274 OG1 THR A 15 -12.642 6.564 7.736 1.00 0.00 O ATOM 275 CG2 THR A 15 -13.725 7.792 5.962 1.00 0.00 C ATOM 0 H THR A 15 -12.115 4.550 5.814 1.00 0.00 H new ATOM 0 HA THR A 15 -11.447 7.150 4.644 1.00 0.00 H new ATOM 0 HB THR A 15 -11.833 8.247 6.844 1.00 0.00 H new ATOM 0 HG1 THR A 15 -13.170 7.082 8.379 1.00 0.00 H new ATOM 0 HG21 THR A 15 -14.295 8.356 6.700 1.00 0.00 H new ATOM 0 HG22 THR A 15 -13.538 8.420 5.091 1.00 0.00 H new ATOM 0 HG23 THR A 15 -14.293 6.912 5.660 1.00 0.00 H new ATOM 283 N ALA A 16 -9.343 7.284 6.183 1.00 0.00 N ATOM 284 CA ALA A 16 -8.001 7.138 6.733 1.00 0.00 C ATOM 285 C ALA A 16 -8.043 6.535 8.132 1.00 0.00 C ATOM 286 O ALA A 16 -7.126 5.822 8.539 1.00 0.00 O ATOM 287 CB ALA A 16 -7.291 8.484 6.757 1.00 0.00 C ATOM 0 H ALA A 16 -9.558 8.219 5.837 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.444 6.457 6.090 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.290 8.360 7.170 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -7.219 8.875 5.742 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -7.855 9.182 7.376 1.00 0.00 H new ATOM 293 N ASP A 17 -9.112 6.826 8.864 1.00 0.00 N ATOM 294 CA ASP A 17 -9.274 6.312 10.220 1.00 0.00 C ATOM 295 C ASP A 17 -9.393 4.790 10.213 1.00 0.00 C ATOM 296 O ASP A 17 -8.809 4.109 11.054 1.00 0.00 O ATOM 297 CB ASP A 17 -10.508 6.929 10.879 1.00 0.00 C ATOM 298 CG ASP A 17 -10.462 6.842 12.391 1.00 0.00 C ATOM 299 OD1 ASP A 17 -9.405 7.170 12.973 1.00 0.00 O ATOM 300 OD2 ASP A 17 -11.482 6.449 12.994 1.00 0.00 O ATOM 0 H ASP A 17 -9.880 7.415 8.542 1.00 0.00 H new ATOM 0 HA ASP A 17 -8.390 6.588 10.795 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -10.591 7.974 10.581 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -11.402 6.422 10.516 1.00 0.00 H new ATOM 305 N ASP A 18 -10.155 4.267 9.259 1.00 0.00 N ATOM 306 CA ASP A 18 -10.352 2.826 9.142 1.00 0.00 C ATOM 307 C ASP A 18 -9.059 2.134 8.724 1.00 0.00 C ATOM 308 O ASP A 18 -8.742 1.044 9.204 1.00 0.00 O ATOM 309 CB ASP A 18 -11.459 2.521 8.132 1.00 0.00 C ATOM 310 CG ASP A 18 -12.197 1.236 8.452 1.00 0.00 C ATOM 311 OD1 ASP A 18 -11.546 0.280 8.922 1.00 0.00 O ATOM 312 OD2 ASP A 18 -13.425 1.188 8.234 1.00 0.00 O ATOM 0 H ASP A 18 -10.646 4.818 8.556 1.00 0.00 H new ATOM 0 HA ASP A 18 -10.648 2.444 10.119 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -12.168 3.349 8.113 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -11.027 2.449 7.134 1.00 0.00 H new ATOM 317 N LEU A 19 -8.316 2.772 7.826 1.00 0.00 N ATOM 318 CA LEU A 19 -7.057 2.217 7.341 1.00 0.00 C ATOM 319 C LEU A 19 -6.049 2.081 8.477 1.00 0.00 C ATOM 320 O LEU A 19 -5.414 1.039 8.637 1.00 0.00 O ATOM 321 CB LEU A 19 -6.481 3.100 6.234 1.00 0.00 C ATOM 322 CG LEU A 19 -6.865 2.720 4.803 1.00 0.00 C ATOM 323 CD1 LEU A 19 -6.153 3.617 3.803 1.00 0.00 C ATOM 324 CD2 LEU A 19 -6.542 1.257 4.535 1.00 0.00 C ATOM 0 H LEU A 19 -8.564 3.674 7.419 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.257 1.224 6.937 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.799 4.127 6.414 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.394 3.085 6.313 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.939 2.862 4.686 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.439 3.332 2.791 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.434 4.655 3.980 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.075 3.508 3.920 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.822 1.004 3.512 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.474 1.089 4.671 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.099 0.628 5.230 1.00 0.00 H new ATOM 336 N ARG A 20 -5.907 3.142 9.265 1.00 0.00 N ATOM 337 CA ARG A 20 -4.976 3.142 10.387 1.00 0.00 C ATOM 338 C ARG A 20 -5.385 2.109 11.433 1.00 0.00 C ATOM 339 O ARG A 20 -4.548 1.371 11.951 1.00 0.00 O ATOM 340 CB ARG A 20 -4.912 4.531 11.025 1.00 0.00 C ATOM 341 CG ARG A 20 -4.101 5.534 10.220 1.00 0.00 C ATOM 342 CD ARG A 20 -4.291 6.950 10.741 1.00 0.00 C ATOM 343 NE ARG A 20 -3.224 7.844 10.299 1.00 0.00 N ATOM 344 CZ ARG A 20 -3.168 9.133 10.613 1.00 0.00 C ATOM 345 NH1 ARG A 20 -4.114 9.676 11.366 1.00 0.00 N ATOM 346 NH2 ARG A 20 -2.164 9.881 10.174 1.00 0.00 N ATOM 0 H ARG A 20 -6.425 4.013 9.147 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.989 2.878 10.007 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.926 4.912 11.149 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -4.480 4.444 12.022 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.045 5.268 10.263 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.399 5.487 9.173 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.252 7.336 10.400 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.323 6.934 11.830 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.481 7.457 9.717 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.887 9.104 11.705 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -4.069 10.666 11.606 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -1.434 9.466 9.595 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -2.122 10.871 10.416 1.00 0.00 H new ATOM 360 N GLN A 21 -6.678 2.063 11.737 1.00 0.00 N ATOM 361 CA GLN A 21 -7.198 1.121 12.722 1.00 0.00 C ATOM 362 C GLN A 21 -7.099 -0.312 12.210 1.00 0.00 C ATOM 363 O GLN A 21 -6.927 -1.250 12.988 1.00 0.00 O ATOM 364 CB GLN A 21 -8.652 1.455 13.061 1.00 0.00 C ATOM 365 CG GLN A 21 -8.813 2.755 13.833 1.00 0.00 C ATOM 366 CD GLN A 21 -8.590 2.582 15.322 1.00 0.00 C ATOM 367 OE1 GLN A 21 -8.443 1.462 15.813 1.00 0.00 O ATOM 368 NE2 GLN A 21 -8.561 3.691 16.050 1.00 0.00 N ATOM 0 H GLN A 21 -7.384 2.666 11.316 1.00 0.00 H new ATOM 0 HA GLN A 21 -6.593 1.207 13.625 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -9.227 1.517 12.137 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -9.077 0.639 13.646 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -8.108 3.492 13.447 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -9.814 3.152 13.663 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -8.687 4.599 15.602 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -8.412 3.636 17.058 1.00 0.00 H new ATOM 377 N LEU A 22 -7.209 -0.473 10.895 1.00 0.00 N ATOM 378 CA LEU A 22 -7.133 -1.793 10.279 1.00 0.00 C ATOM 379 C LEU A 22 -5.752 -2.410 10.480 1.00 0.00 C ATOM 380 O LEU A 22 -5.629 -3.555 10.914 1.00 0.00 O ATOM 381 CB LEU A 22 -7.449 -1.698 8.785 1.00 0.00 C ATOM 382 CG LEU A 22 -7.607 -3.028 8.046 1.00 0.00 C ATOM 383 CD1 LEU A 22 -8.867 -3.747 8.503 1.00 0.00 C ATOM 384 CD2 LEU A 22 -7.636 -2.802 6.541 1.00 0.00 C ATOM 0 H LEU A 22 -7.351 0.293 10.236 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.870 -2.435 10.761 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.369 -1.127 8.664 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.655 -1.129 8.302 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.749 -3.657 8.283 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.962 -4.691 7.966 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.806 -3.943 9.574 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.737 -3.123 8.297 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.749 -3.759 6.031 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.475 -2.154 6.286 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.705 -2.331 6.226 1.00 0.00 H new ATOM 396 N PHE A 23 -4.715 -1.641 10.162 1.00 0.00 N ATOM 397 CA PHE A 23 -3.343 -2.111 10.309 1.00 0.00 C ATOM 398 C PHE A 23 -2.994 -2.321 11.780 1.00 0.00 C ATOM 399 O PHE A 23 -2.358 -3.309 12.144 1.00 0.00 O ATOM 400 CB PHE A 23 -2.369 -1.113 9.680 1.00 0.00 C ATOM 401 CG PHE A 23 -2.128 -1.349 8.218 1.00 0.00 C ATOM 402 CD1 PHE A 23 -3.144 -1.159 7.295 1.00 0.00 C ATOM 403 CD2 PHE A 23 -0.886 -1.764 7.765 1.00 0.00 C ATOM 404 CE1 PHE A 23 -2.926 -1.377 5.947 1.00 0.00 C ATOM 405 CE2 PHE A 23 -0.662 -1.983 6.419 1.00 0.00 C ATOM 406 CZ PHE A 23 -1.683 -1.790 5.509 1.00 0.00 C ATOM 0 H PHE A 23 -4.799 -0.691 9.801 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.256 -3.067 9.793 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -2.757 -0.104 9.817 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -1.418 -1.164 10.209 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -4.118 -0.837 7.633 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -0.084 -1.918 8.472 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -3.726 -1.225 5.238 1.00 0.00 H new ATOM 0 HE2 PHE A 23 0.311 -2.305 6.079 1.00 0.00 H new ATOM 0 HZ PHE A 23 -1.510 -1.962 4.457 1.00 0.00 H new ATOM 416 N GLY A 24 -3.417 -1.382 12.623 1.00 0.00 N ATOM 417 CA GLY A 24 -3.140 -1.481 14.043 1.00 0.00 C ATOM 418 C GLY A 24 -3.788 -2.696 14.677 1.00 0.00 C ATOM 419 O GLY A 24 -3.216 -3.319 15.571 1.00 0.00 O ATOM 0 H GLY A 24 -3.946 -0.555 12.346 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.062 -1.526 14.197 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.496 -0.580 14.543 1.00 0.00 H new ATOM 423 N ASP A 25 -4.988 -3.033 14.215 1.00 0.00 N ATOM 424 CA ASP A 25 -5.716 -4.180 14.743 1.00 0.00 C ATOM 425 C ASP A 25 -4.960 -5.477 14.468 1.00 0.00 C ATOM 426 O ASP A 25 -4.998 -6.410 15.270 1.00 0.00 O ATOM 427 CB ASP A 25 -7.115 -4.251 14.127 1.00 0.00 C ATOM 428 CG ASP A 25 -7.875 -5.491 14.557 1.00 0.00 C ATOM 429 OD1 ASP A 25 -7.686 -6.551 13.925 1.00 0.00 O ATOM 430 OD2 ASP A 25 -8.657 -5.399 15.526 1.00 0.00 O ATOM 0 H ASP A 25 -5.476 -2.528 13.476 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.808 -4.055 15.822 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -7.680 -3.364 14.414 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -7.031 -4.238 13.040 1.00 0.00 H new ATOM 435 N ARG A 26 -4.276 -5.527 13.330 1.00 0.00 N ATOM 436 CA ARG A 26 -3.513 -6.710 12.950 1.00 0.00 C ATOM 437 C ARG A 26 -2.118 -6.680 13.568 1.00 0.00 C ATOM 438 O ARG A 26 -1.209 -7.372 13.110 1.00 0.00 O ATOM 439 CB ARG A 26 -3.405 -6.804 11.427 1.00 0.00 C ATOM 440 CG ARG A 26 -4.700 -7.224 10.749 1.00 0.00 C ATOM 441 CD ARG A 26 -4.812 -8.737 10.651 1.00 0.00 C ATOM 442 NE ARG A 26 -5.145 -9.346 11.937 1.00 0.00 N ATOM 443 CZ ARG A 26 -5.099 -10.653 12.165 1.00 0.00 C ATOM 444 NH1 ARG A 26 -4.736 -11.485 11.199 1.00 0.00 N ATOM 445 NH2 ARG A 26 -5.416 -11.131 13.361 1.00 0.00 N ATOM 0 H ARG A 26 -4.234 -4.763 12.656 1.00 0.00 H new ATOM 0 HA ARG A 26 -4.039 -7.587 13.326 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -3.096 -5.836 11.033 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -2.622 -7.518 11.170 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -5.549 -6.831 11.308 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -4.747 -6.789 9.751 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -5.576 -8.997 9.918 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -3.870 -9.148 10.289 1.00 0.00 H new ATOM 0 HE ARG A 26 -5.428 -8.733 12.702 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -4.491 -11.121 10.278 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -4.701 -12.489 11.377 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -5.696 -10.494 14.107 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -5.380 -12.135 13.535 1.00 0.00 H new ATOM 459 N LYS A 27 -1.956 -5.872 14.611 1.00 0.00 N ATOM 460 CA LYS A 27 -0.674 -5.751 15.294 1.00 0.00 C ATOM 461 C LYS A 27 0.410 -5.269 14.334 1.00 0.00 C ATOM 462 O LYS A 27 1.557 -5.712 14.403 1.00 0.00 O ATOM 463 CB LYS A 27 -0.268 -7.095 15.903 1.00 0.00 C ATOM 464 CG LYS A 27 -0.766 -7.293 17.324 1.00 0.00 C ATOM 465 CD LYS A 27 -0.051 -6.374 18.299 1.00 0.00 C ATOM 466 CE LYS A 27 1.251 -6.986 18.791 1.00 0.00 C ATOM 467 NZ LYS A 27 1.017 -8.013 19.844 1.00 0.00 N ATOM 0 H LYS A 27 -2.698 -5.291 15.002 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.783 -5.016 16.091 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.653 -7.900 15.276 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.819 -7.176 15.893 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.839 -7.104 17.364 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.614 -8.330 17.622 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.155 -5.419 17.816 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.701 -6.168 19.149 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.779 -7.439 17.952 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.895 -6.201 19.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.930 -8.382 20.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.505 -7.583 20.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.452 -8.792 19.450 1.00 0.00 H new ATOM 481 N LEU A 28 0.040 -4.356 13.442 1.00 0.00 N ATOM 482 CA LEU A 28 0.981 -3.812 12.469 1.00 0.00 C ATOM 483 C LEU A 28 0.915 -2.288 12.440 1.00 0.00 C ATOM 484 O LEU A 28 0.277 -1.687 11.575 1.00 0.00 O ATOM 485 CB LEU A 28 0.688 -4.374 11.077 1.00 0.00 C ATOM 486 CG LEU A 28 0.879 -5.881 10.907 1.00 0.00 C ATOM 487 CD1 LEU A 28 -0.007 -6.409 9.790 1.00 0.00 C ATOM 488 CD2 LEU A 28 2.340 -6.205 10.630 1.00 0.00 C ATOM 0 H LEU A 28 -0.905 -3.977 13.373 1.00 0.00 H new ATOM 0 HA LEU A 28 1.987 -4.107 12.769 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.341 -4.127 10.817 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.330 -3.864 10.359 1.00 0.00 H new ATOM 0 HG LEU A 28 0.588 -6.372 11.836 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.143 -7.483 9.684 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.052 -6.210 10.029 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.252 -5.912 8.855 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.458 -7.282 10.512 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.657 -5.703 9.716 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.953 -5.862 11.464 1.00 0.00 H new ATOM 500 N PRO A 29 1.589 -1.648 13.406 1.00 0.00 N ATOM 501 CA PRO A 29 1.623 -0.186 13.511 1.00 0.00 C ATOM 502 C PRO A 29 2.427 0.458 12.387 1.00 0.00 C ATOM 503 O PRO A 29 3.586 0.104 12.157 1.00 0.00 O ATOM 504 CB PRO A 29 2.302 0.057 14.862 1.00 0.00 C ATOM 505 CG PRO A 29 3.128 -1.162 15.095 1.00 0.00 C ATOM 506 CD PRO A 29 2.370 -2.301 14.470 1.00 0.00 C ATOM 0 HA PRO A 29 0.627 0.251 13.434 1.00 0.00 H new ATOM 0 HB2 PRO A 29 2.919 0.955 14.839 1.00 0.00 H new ATOM 0 HB3 PRO A 29 1.567 0.195 15.655 1.00 0.00 H new ATOM 0 HG2 PRO A 29 4.115 -1.057 14.645 1.00 0.00 H new ATOM 0 HG3 PRO A 29 3.280 -1.333 16.161 1.00 0.00 H new ATOM 0 HD2 PRO A 29 3.043 -3.058 14.068 1.00 0.00 H new ATOM 0 HD3 PRO A 29 1.725 -2.800 15.194 1.00 0.00 H new ATOM 514 N LEU A 30 1.808 1.404 11.690 1.00 0.00 N ATOM 515 CA LEU A 30 2.468 2.098 10.589 1.00 0.00 C ATOM 516 C LEU A 30 3.486 3.106 11.113 1.00 0.00 C ATOM 517 O LEU A 30 3.121 4.125 11.698 1.00 0.00 O ATOM 518 CB LEU A 30 1.433 2.807 9.715 1.00 0.00 C ATOM 519 CG LEU A 30 0.325 1.926 9.136 1.00 0.00 C ATOM 520 CD1 LEU A 30 -0.953 2.729 8.951 1.00 0.00 C ATOM 521 CD2 LEU A 30 0.768 1.313 7.816 1.00 0.00 C ATOM 0 H LEU A 30 0.851 1.708 11.867 1.00 0.00 H new ATOM 0 HA LEU A 30 2.995 1.357 9.988 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.970 3.598 10.305 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.955 3.290 8.889 1.00 0.00 H new ATOM 0 HG LEU A 30 0.123 1.118 9.840 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.730 2.086 8.538 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.280 3.120 9.915 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.767 3.557 8.267 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.032 0.689 7.418 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.997 2.107 7.105 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.657 0.703 7.978 1.00 0.00 H new ATOM 533 N ALA A 31 4.764 2.815 10.895 1.00 0.00 N ATOM 534 CA ALA A 31 5.835 3.699 11.341 1.00 0.00 C ATOM 535 C ALA A 31 6.190 4.719 10.265 1.00 0.00 C ATOM 536 O ALA A 31 7.331 5.167 10.173 1.00 0.00 O ATOM 537 CB ALA A 31 7.063 2.886 11.726 1.00 0.00 C ATOM 0 H ALA A 31 5.083 1.975 10.413 1.00 0.00 H new ATOM 0 HA ALA A 31 5.482 4.243 12.217 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.855 3.558 12.057 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.807 2.201 12.534 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.408 2.316 10.863 1.00 0.00 H new ATOM 543 N GLY A 32 5.203 5.079 9.450 1.00 0.00 N ATOM 544 CA GLY A 32 5.432 6.043 8.389 1.00 0.00 C ATOM 545 C GLY A 32 4.237 6.947 8.159 1.00 0.00 C ATOM 546 O GLY A 32 3.563 7.349 9.108 1.00 0.00 O ATOM 0 H GLY A 32 4.250 4.721 9.505 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.302 6.652 8.637 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.666 5.513 7.465 1.00 0.00 H new ATOM 550 N GLN A 33 3.974 7.269 6.897 1.00 0.00 N ATOM 551 CA GLN A 33 2.853 8.133 6.546 1.00 0.00 C ATOM 552 C GLN A 33 1.752 7.341 5.850 1.00 0.00 C ATOM 553 O GLN A 33 2.002 6.276 5.286 1.00 0.00 O ATOM 554 CB GLN A 33 3.326 9.275 5.644 1.00 0.00 C ATOM 555 CG GLN A 33 3.931 8.803 4.333 1.00 0.00 C ATOM 556 CD GLN A 33 4.556 9.934 3.539 1.00 0.00 C ATOM 557 OE1 GLN A 33 5.097 10.882 4.109 1.00 0.00 O ATOM 558 NE2 GLN A 33 4.487 9.838 2.216 1.00 0.00 N ATOM 0 H GLN A 33 4.522 6.945 6.100 1.00 0.00 H new ATOM 0 HA GLN A 33 2.446 8.551 7.467 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.482 9.931 5.430 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.064 9.870 6.182 1.00 0.00 H new ATOM 0 HG2 GLN A 33 4.688 8.046 4.538 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.158 8.325 3.731 1.00 0.00 H new ATOM 0 HE21 GLN A 33 4.029 9.034 1.786 1.00 0.00 H new ATOM 0 HE22 GLN A 33 4.892 10.568 1.630 1.00 0.00 H new ATOM 567 N VAL A 34 0.533 7.868 5.893 1.00 0.00 N ATOM 568 CA VAL A 34 -0.608 7.211 5.265 1.00 0.00 C ATOM 569 C VAL A 34 -1.266 8.119 4.233 1.00 0.00 C ATOM 570 O VAL A 34 -1.476 9.308 4.479 1.00 0.00 O ATOM 571 CB VAL A 34 -1.659 6.793 6.309 1.00 0.00 C ATOM 572 CG1 VAL A 34 -2.778 5.998 5.653 1.00 0.00 C ATOM 573 CG2 VAL A 34 -1.010 5.992 7.428 1.00 0.00 C ATOM 0 H VAL A 34 0.309 8.749 6.356 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.225 6.319 4.768 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.092 7.694 6.743 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.511 5.711 6.407 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.261 6.610 4.891 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.365 5.102 5.190 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.768 5.705 8.157 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.548 5.096 7.013 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.249 6.600 7.917 1.00 0.00 H new ATOM 583 N LEU A 35 -1.588 7.553 3.076 1.00 0.00 N ATOM 584 CA LEU A 35 -2.224 8.312 2.003 1.00 0.00 C ATOM 585 C LEU A 35 -3.491 7.613 1.519 1.00 0.00 C ATOM 586 O LEU A 35 -3.474 6.423 1.202 1.00 0.00 O ATOM 587 CB LEU A 35 -1.253 8.497 0.837 1.00 0.00 C ATOM 588 CG LEU A 35 -0.321 9.707 0.925 1.00 0.00 C ATOM 589 CD1 LEU A 35 0.941 9.353 1.696 1.00 0.00 C ATOM 590 CD2 LEU A 35 0.026 10.215 -0.467 1.00 0.00 C ATOM 0 H LEU A 35 -1.420 6.571 2.856 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.499 9.290 2.397 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.642 7.598 0.753 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.832 8.576 -0.083 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.838 10.502 1.461 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.592 10.226 1.749 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.675 9.038 2.705 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.462 8.542 1.188 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.690 11.076 -0.385 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.524 9.425 -1.029 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.887 10.509 -0.985 1.00 0.00 H new ATOM 602 N LEU A 36 -4.588 8.361 1.462 1.00 0.00 N ATOM 603 CA LEU A 36 -5.864 7.814 1.013 1.00 0.00 C ATOM 604 C LEU A 36 -6.363 8.545 -0.230 1.00 0.00 C ATOM 605 O LEU A 36 -6.682 9.732 -0.178 1.00 0.00 O ATOM 606 CB LEU A 36 -6.904 7.914 2.130 1.00 0.00 C ATOM 607 CG LEU A 36 -8.359 7.687 1.713 1.00 0.00 C ATOM 608 CD1 LEU A 36 -8.612 6.214 1.437 1.00 0.00 C ATOM 609 CD2 LEU A 36 -9.306 8.202 2.788 1.00 0.00 C ATOM 0 H LEU A 36 -4.619 9.347 1.721 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.713 6.765 0.758 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.650 7.187 2.902 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.827 8.902 2.584 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.546 8.243 0.794 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.652 6.072 1.142 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.958 5.877 0.633 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -8.408 5.635 2.338 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -10.337 8.033 2.476 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -9.118 7.673 3.722 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -9.142 9.269 2.936 1.00 0.00 H new ATOM 621 N LYS A 37 -6.428 7.827 -1.346 1.00 0.00 N ATOM 622 CA LYS A 37 -6.891 8.404 -2.602 1.00 0.00 C ATOM 623 C LYS A 37 -8.285 7.895 -2.954 1.00 0.00 C ATOM 624 O LYS A 37 -8.739 6.883 -2.419 1.00 0.00 O ATOM 625 CB LYS A 37 -5.914 8.070 -3.731 1.00 0.00 C ATOM 626 CG LYS A 37 -4.738 9.028 -3.820 1.00 0.00 C ATOM 627 CD LYS A 37 -4.149 9.317 -2.450 1.00 0.00 C ATOM 628 CE LYS A 37 -3.141 10.454 -2.505 1.00 0.00 C ATOM 629 NZ LYS A 37 -3.096 11.219 -1.227 1.00 0.00 N ATOM 0 H LYS A 37 -6.165 6.843 -1.406 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.939 9.486 -2.480 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -5.537 7.057 -3.587 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -6.451 8.078 -4.679 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.969 8.603 -4.465 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -5.062 9.961 -4.282 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -4.949 9.572 -1.755 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -3.666 8.419 -2.064 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.152 10.052 -2.722 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.398 11.128 -3.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -2.286 11.872 -1.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.976 11.762 -1.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -2.994 10.558 -0.430 1.00 0.00 H new ATOM 643 N SER A 38 -8.958 8.601 -3.856 1.00 0.00 N ATOM 644 CA SER A 38 -10.301 8.220 -4.277 1.00 0.00 C ATOM 645 C SER A 38 -10.270 6.932 -5.093 1.00 0.00 C ATOM 646 O SER A 38 -10.145 6.962 -6.317 1.00 0.00 O ATOM 647 CB SER A 38 -10.938 9.344 -5.100 1.00 0.00 C ATOM 648 OG SER A 38 -10.142 9.662 -6.229 1.00 0.00 O ATOM 0 H SER A 38 -8.596 9.440 -4.309 1.00 0.00 H new ATOM 0 HA SER A 38 -10.901 8.048 -3.383 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.933 9.042 -5.426 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.062 10.230 -4.477 1.00 0.00 H new ATOM 0 HG SER A 38 -9.866 8.836 -6.678 1.00 0.00 H new ATOM 654 N GLY A 39 -10.386 5.801 -4.405 1.00 0.00 N ATOM 655 CA GLY A 39 -10.368 4.516 -5.082 1.00 0.00 C ATOM 656 C GLY A 39 -9.192 3.656 -4.663 1.00 0.00 C ATOM 657 O GLY A 39 -9.164 2.455 -4.936 1.00 0.00 O ATOM 0 H GLY A 39 -10.492 5.750 -3.392 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.296 3.985 -4.871 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -10.331 4.677 -6.159 1.00 0.00 H new ATOM 661 N TYR A 40 -8.219 4.269 -3.999 1.00 0.00 N ATOM 662 CA TYR A 40 -7.033 3.554 -3.545 1.00 0.00 C ATOM 663 C TYR A 40 -6.375 4.276 -2.374 1.00 0.00 C ATOM 664 O TYR A 40 -6.826 5.342 -1.954 1.00 0.00 O ATOM 665 CB TYR A 40 -6.034 3.400 -4.693 1.00 0.00 C ATOM 666 CG TYR A 40 -5.861 4.657 -5.515 1.00 0.00 C ATOM 667 CD1 TYR A 40 -6.800 5.019 -6.472 1.00 0.00 C ATOM 668 CD2 TYR A 40 -4.758 5.482 -5.336 1.00 0.00 C ATOM 669 CE1 TYR A 40 -6.646 6.166 -7.227 1.00 0.00 C ATOM 670 CE2 TYR A 40 -4.596 6.632 -6.085 1.00 0.00 C ATOM 671 CZ TYR A 40 -5.542 6.969 -7.030 1.00 0.00 C ATOM 672 OH TYR A 40 -5.385 8.112 -7.779 1.00 0.00 O ATOM 0 H TYR A 40 -8.229 5.261 -3.763 1.00 0.00 H new ATOM 0 HA TYR A 40 -7.343 2.565 -3.208 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -5.067 3.106 -4.285 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -6.364 2.591 -5.345 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -7.666 4.393 -6.629 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -4.014 5.220 -4.598 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -7.386 6.432 -7.967 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -3.733 7.263 -5.931 1.00 0.00 H new ATOM 0 HH TYR A 40 -4.556 8.564 -7.516 1.00 0.00 H new ATOM 682 N ALA A 41 -5.303 3.689 -1.851 1.00 0.00 N ATOM 683 CA ALA A 41 -4.579 4.278 -0.731 1.00 0.00 C ATOM 684 C ALA A 41 -3.167 3.711 -0.633 1.00 0.00 C ATOM 685 O ALA A 41 -2.930 2.547 -0.954 1.00 0.00 O ATOM 686 CB ALA A 41 -5.336 4.042 0.567 1.00 0.00 C ATOM 0 H ALA A 41 -4.917 2.806 -2.185 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.500 5.351 -0.903 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.785 4.487 1.396 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.323 4.499 0.501 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.443 2.971 0.736 1.00 0.00 H new ATOM 692 N PHE A 42 -2.230 4.544 -0.189 1.00 0.00 N ATOM 693 CA PHE A 42 -0.840 4.127 -0.049 1.00 0.00 C ATOM 694 C PHE A 42 -0.400 4.181 1.411 1.00 0.00 C ATOM 695 O PHE A 42 -0.841 5.041 2.172 1.00 0.00 O ATOM 696 CB PHE A 42 0.069 5.015 -0.901 1.00 0.00 C ATOM 697 CG PHE A 42 -0.511 5.351 -2.246 1.00 0.00 C ATOM 698 CD1 PHE A 42 -0.380 4.472 -3.309 1.00 0.00 C ATOM 699 CD2 PHE A 42 -1.184 6.544 -2.446 1.00 0.00 C ATOM 700 CE1 PHE A 42 -0.911 4.779 -4.548 1.00 0.00 C ATOM 701 CE2 PHE A 42 -1.719 6.856 -3.683 1.00 0.00 C ATOM 702 CZ PHE A 42 -1.582 5.972 -4.735 1.00 0.00 C ATOM 0 H PHE A 42 -2.409 5.512 0.080 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.759 3.097 -0.396 1.00 0.00 H new ATOM 0 HB2 PHE A 42 0.271 5.939 -0.360 1.00 0.00 H new ATOM 0 HB3 PHE A 42 1.026 4.513 -1.042 1.00 0.00 H new ATOM 0 HD1 PHE A 42 0.142 3.537 -3.168 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -1.293 7.239 -1.627 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -0.801 4.086 -5.369 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -2.243 7.790 -3.826 1.00 0.00 H new ATOM 0 HZ PHE A 42 -1.999 6.213 -5.702 1.00 0.00 H new ATOM 712 N VAL A 43 0.473 3.254 1.794 1.00 0.00 N ATOM 713 CA VAL A 43 0.974 3.195 3.161 1.00 0.00 C ATOM 714 C VAL A 43 2.484 2.982 3.185 1.00 0.00 C ATOM 715 O VAL A 43 3.027 2.225 2.379 1.00 0.00 O ATOM 716 CB VAL A 43 0.295 2.066 3.960 1.00 0.00 C ATOM 717 CG1 VAL A 43 -1.122 2.462 4.345 1.00 0.00 C ATOM 718 CG2 VAL A 43 0.296 0.773 3.159 1.00 0.00 C ATOM 0 H VAL A 43 0.847 2.534 1.176 1.00 0.00 H new ATOM 0 HA VAL A 43 0.737 4.152 3.626 1.00 0.00 H new ATOM 0 HB VAL A 43 0.862 1.901 4.876 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.586 1.652 4.909 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.094 3.362 4.959 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.703 2.656 3.444 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.187 -0.014 3.738 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.247 0.923 2.226 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.323 0.482 2.938 1.00 0.00 H new ATOM 728 N ASP A 44 3.156 3.654 4.112 1.00 0.00 N ATOM 729 CA ASP A 44 4.603 3.537 4.243 1.00 0.00 C ATOM 730 C ASP A 44 4.975 2.404 5.194 1.00 0.00 C ATOM 731 O ASP A 44 4.479 2.336 6.319 1.00 0.00 O ATOM 732 CB ASP A 44 5.200 4.854 4.741 1.00 0.00 C ATOM 733 CG ASP A 44 6.710 4.796 4.867 1.00 0.00 C ATOM 734 OD1 ASP A 44 7.201 4.266 5.886 1.00 0.00 O ATOM 735 OD2 ASP A 44 7.400 5.277 3.944 1.00 0.00 O ATOM 0 H ASP A 44 2.722 4.286 4.784 1.00 0.00 H new ATOM 0 HA ASP A 44 5.013 3.310 3.259 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.926 5.656 4.055 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.767 5.102 5.710 1.00 0.00 H new ATOM 740 N TYR A 45 5.847 1.513 4.734 1.00 0.00 N ATOM 741 CA TYR A 45 6.281 0.381 5.542 1.00 0.00 C ATOM 742 C TYR A 45 7.636 0.658 6.187 1.00 0.00 C ATOM 743 O TYR A 45 8.510 1.299 5.603 1.00 0.00 O ATOM 744 CB TYR A 45 6.361 -0.884 4.685 1.00 0.00 C ATOM 745 CG TYR A 45 7.396 -0.805 3.585 1.00 0.00 C ATOM 746 CD1 TYR A 45 8.744 -1.002 3.856 1.00 0.00 C ATOM 747 CD2 TYR A 45 7.024 -0.532 2.273 1.00 0.00 C ATOM 748 CE1 TYR A 45 9.692 -0.930 2.855 1.00 0.00 C ATOM 749 CE2 TYR A 45 7.966 -0.460 1.265 1.00 0.00 C ATOM 750 CZ TYR A 45 9.299 -0.659 1.561 1.00 0.00 C ATOM 751 OH TYR A 45 10.240 -0.587 0.560 1.00 0.00 O ATOM 0 H TYR A 45 6.267 1.554 3.805 1.00 0.00 H new ATOM 0 HA TYR A 45 5.547 0.230 6.333 1.00 0.00 H new ATOM 0 HB2 TYR A 45 6.590 -1.734 5.327 1.00 0.00 H new ATOM 0 HB3 TYR A 45 5.384 -1.074 4.240 1.00 0.00 H new ATOM 0 HD1 TYR A 45 9.056 -1.215 4.868 1.00 0.00 H new ATOM 0 HD2 TYR A 45 5.982 -0.374 2.038 1.00 0.00 H new ATOM 0 HE1 TYR A 45 10.736 -1.085 3.084 1.00 0.00 H new ATOM 0 HE2 TYR A 45 7.661 -0.249 0.251 1.00 0.00 H new ATOM 0 HH TYR A 45 9.797 -0.389 -0.292 1.00 0.00 H new ATOM 761 N PRO A 46 7.815 0.163 7.421 1.00 0.00 N ATOM 762 CA PRO A 46 9.061 0.344 8.173 1.00 0.00 C ATOM 763 C PRO A 46 10.217 -0.453 7.578 1.00 0.00 C ATOM 764 O PRO A 46 11.296 0.088 7.335 1.00 0.00 O ATOM 765 CB PRO A 46 8.712 -0.178 9.568 1.00 0.00 C ATOM 766 CG PRO A 46 7.600 -1.144 9.344 1.00 0.00 C ATOM 767 CD PRO A 46 6.816 -0.610 8.176 1.00 0.00 C ATOM 0 HA PRO A 46 9.397 1.381 8.164 1.00 0.00 H new ATOM 0 HB2 PRO A 46 9.569 -0.663 10.035 1.00 0.00 H new ATOM 0 HB3 PRO A 46 8.405 0.633 10.229 1.00 0.00 H new ATOM 0 HG2 PRO A 46 7.986 -2.141 9.132 1.00 0.00 H new ATOM 0 HG3 PRO A 46 6.971 -1.228 10.230 1.00 0.00 H new ATOM 0 HD2 PRO A 46 6.392 -1.414 7.575 1.00 0.00 H new ATOM 0 HD3 PRO A 46 5.985 0.016 8.502 1.00 0.00 H new ATOM 775 N ASP A 47 9.985 -1.741 7.348 1.00 0.00 N ATOM 776 CA ASP A 47 11.007 -2.612 6.780 1.00 0.00 C ATOM 777 C ASP A 47 10.416 -3.509 5.698 1.00 0.00 C ATOM 778 O ASP A 47 9.207 -3.511 5.472 1.00 0.00 O ATOM 779 CB ASP A 47 11.644 -3.467 7.876 1.00 0.00 C ATOM 780 CG ASP A 47 12.965 -4.072 7.445 1.00 0.00 C ATOM 781 OD1 ASP A 47 13.928 -3.306 7.236 1.00 0.00 O ATOM 782 OD2 ASP A 47 13.036 -5.312 7.315 1.00 0.00 O ATOM 0 H ASP A 47 9.098 -2.205 7.546 1.00 0.00 H new ATOM 0 HA ASP A 47 11.774 -1.984 6.327 1.00 0.00 H new ATOM 0 HB2 ASP A 47 11.801 -2.855 8.765 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.956 -4.265 8.156 1.00 0.00 H new ATOM 787 N GLN A 48 11.279 -4.269 5.030 1.00 0.00 N ATOM 788 CA GLN A 48 10.842 -5.169 3.969 1.00 0.00 C ATOM 789 C GLN A 48 10.054 -6.342 4.540 1.00 0.00 C ATOM 790 O GLN A 48 9.047 -6.762 3.971 1.00 0.00 O ATOM 791 CB GLN A 48 12.047 -5.684 3.180 1.00 0.00 C ATOM 792 CG GLN A 48 11.685 -6.245 1.814 1.00 0.00 C ATOM 793 CD GLN A 48 12.903 -6.641 1.005 1.00 0.00 C ATOM 794 OE1 GLN A 48 14.040 -6.450 1.437 1.00 0.00 O ATOM 795 NE2 GLN A 48 12.672 -7.198 -0.179 1.00 0.00 N ATOM 0 H GLN A 48 12.284 -4.279 5.205 1.00 0.00 H new ATOM 0 HA GLN A 48 10.190 -4.610 3.298 1.00 0.00 H new ATOM 0 HB2 GLN A 48 12.761 -4.871 3.052 1.00 0.00 H new ATOM 0 HB3 GLN A 48 12.547 -6.459 3.761 1.00 0.00 H new ATOM 0 HG2 GLN A 48 11.040 -7.114 1.942 1.00 0.00 H new ATOM 0 HG3 GLN A 48 11.112 -5.501 1.260 1.00 0.00 H new ATOM 0 HE21 GLN A 48 11.713 -7.338 -0.498 1.00 0.00 H new ATOM 0 HE22 GLN A 48 13.453 -7.486 -0.768 1.00 0.00 H new ATOM 804 N ASN A 49 10.519 -6.867 5.669 1.00 0.00 N ATOM 805 CA ASN A 49 9.858 -7.994 6.318 1.00 0.00 C ATOM 806 C ASN A 49 8.450 -7.613 6.766 1.00 0.00 C ATOM 807 O ASN A 49 7.497 -8.363 6.557 1.00 0.00 O ATOM 808 CB ASN A 49 10.677 -8.470 7.519 1.00 0.00 C ATOM 809 CG ASN A 49 9.953 -9.527 8.330 1.00 0.00 C ATOM 810 OD1 ASN A 49 10.123 -10.725 8.101 1.00 0.00 O ATOM 811 ND2 ASN A 49 9.140 -9.088 9.283 1.00 0.00 N ATOM 0 H ASN A 49 11.351 -6.530 6.154 1.00 0.00 H new ATOM 0 HA ASN A 49 9.783 -8.806 5.594 1.00 0.00 H new ATOM 0 HB2 ASN A 49 11.628 -8.872 7.170 1.00 0.00 H new ATOM 0 HB3 ASN A 49 10.906 -7.618 8.159 1.00 0.00 H new ATOM 0 HD21 ASN A 49 8.626 -9.753 9.861 1.00 0.00 H new ATOM 0 HD22 ASN A 49 9.030 -8.086 9.438 1.00 0.00 H new ATOM 818 N TRP A 50 8.329 -6.444 7.384 1.00 0.00 N ATOM 819 CA TRP A 50 7.036 -5.963 7.862 1.00 0.00 C ATOM 820 C TRP A 50 6.072 -5.750 6.701 1.00 0.00 C ATOM 821 O TRP A 50 4.895 -6.095 6.790 1.00 0.00 O ATOM 822 CB TRP A 50 7.212 -4.660 8.643 1.00 0.00 C ATOM 823 CG TRP A 50 5.921 -4.095 9.152 1.00 0.00 C ATOM 824 CD1 TRP A 50 5.458 -4.137 10.437 1.00 0.00 C ATOM 825 CD2 TRP A 50 4.926 -3.405 8.388 1.00 0.00 C ATOM 826 NE1 TRP A 50 4.236 -3.515 10.517 1.00 0.00 N ATOM 827 CE2 TRP A 50 3.888 -3.056 9.274 1.00 0.00 C ATOM 828 CE3 TRP A 50 4.811 -3.046 7.042 1.00 0.00 C ATOM 829 CZ2 TRP A 50 2.752 -2.369 8.855 1.00 0.00 C ATOM 830 CZ3 TRP A 50 3.684 -2.364 6.628 1.00 0.00 C ATOM 831 CH2 TRP A 50 2.666 -2.029 7.532 1.00 0.00 C ATOM 0 H TRP A 50 9.108 -5.812 7.566 1.00 0.00 H new ATOM 0 HA TRP A 50 6.615 -6.720 8.523 1.00 0.00 H new ATOM 0 HB2 TRP A 50 7.880 -4.837 9.486 1.00 0.00 H new ATOM 0 HB3 TRP A 50 7.696 -3.923 8.002 1.00 0.00 H new ATOM 0 HD1 TRP A 50 5.977 -4.592 11.268 1.00 0.00 H new ATOM 0 HE1 TRP A 50 3.678 -3.412 11.365 1.00 0.00 H new ATOM 0 HE3 TRP A 50 5.590 -3.298 6.338 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 1.966 -2.113 9.550 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 3.585 -2.084 5.590 1.00 0.00 H new ATOM 0 HH2 TRP A 50 1.798 -1.493 7.178 1.00 0.00 H new ATOM 842 N ALA A 51 6.579 -5.179 5.613 1.00 0.00 N ATOM 843 CA ALA A 51 5.762 -4.922 4.434 1.00 0.00 C ATOM 844 C ALA A 51 5.239 -6.223 3.834 1.00 0.00 C ATOM 845 O ALA A 51 4.042 -6.365 3.583 1.00 0.00 O ATOM 846 CB ALA A 51 6.560 -4.144 3.398 1.00 0.00 C ATOM 0 H ALA A 51 7.552 -4.886 5.524 1.00 0.00 H new ATOM 0 HA ALA A 51 4.904 -4.323 4.740 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.937 -3.959 2.523 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.879 -3.193 3.824 1.00 0.00 H new ATOM 0 HB3 ALA A 51 7.436 -4.722 3.104 1.00 0.00 H new ATOM 852 N ILE A 52 6.143 -7.169 3.606 1.00 0.00 N ATOM 853 CA ILE A 52 5.771 -8.458 3.036 1.00 0.00 C ATOM 854 C ILE A 52 4.796 -9.201 3.944 1.00 0.00 C ATOM 855 O ILE A 52 3.798 -9.752 3.480 1.00 0.00 O ATOM 856 CB ILE A 52 7.007 -9.344 2.795 1.00 0.00 C ATOM 857 CG1 ILE A 52 7.965 -8.666 1.814 1.00 0.00 C ATOM 858 CG2 ILE A 52 6.587 -10.711 2.274 1.00 0.00 C ATOM 859 CD1 ILE A 52 9.379 -9.200 1.881 1.00 0.00 C ATOM 0 H ILE A 52 7.138 -7.068 3.807 1.00 0.00 H new ATOM 0 HA ILE A 52 5.289 -8.253 2.080 1.00 0.00 H new ATOM 0 HB ILE A 52 7.526 -9.482 3.744 1.00 0.00 H new ATOM 0 HG12 ILE A 52 7.585 -8.794 0.801 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.980 -7.595 2.016 1.00 0.00 H new ATOM 0 HG21 ILE A 52 7.472 -11.325 2.109 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.940 -11.196 3.005 1.00 0.00 H new ATOM 0 HG23 ILE A 52 6.047 -10.592 1.334 1.00 0.00 H new ATOM 0 HD11 ILE A 52 10.002 -8.673 1.158 1.00 0.00 H new ATOM 0 HD12 ILE A 52 9.778 -9.047 2.884 1.00 0.00 H new ATOM 0 HD13 ILE A 52 9.377 -10.265 1.650 1.00 0.00 H new ATOM 871 N ARG A 53 5.092 -9.208 5.239 1.00 0.00 N ATOM 872 CA ARG A 53 4.241 -9.883 6.213 1.00 0.00 C ATOM 873 C ARG A 53 2.905 -9.162 6.358 1.00 0.00 C ATOM 874 O ARG A 53 1.861 -9.794 6.520 1.00 0.00 O ATOM 875 CB ARG A 53 4.943 -9.955 7.570 1.00 0.00 C ATOM 876 CG ARG A 53 4.394 -11.041 8.481 1.00 0.00 C ATOM 877 CD ARG A 53 4.963 -12.406 8.127 1.00 0.00 C ATOM 878 NE ARG A 53 4.658 -13.407 9.147 1.00 0.00 N ATOM 879 CZ ARG A 53 4.840 -14.712 8.973 1.00 0.00 C ATOM 880 NH1 ARG A 53 5.320 -15.170 7.827 1.00 0.00 N ATOM 881 NH2 ARG A 53 4.539 -15.560 9.949 1.00 0.00 N ATOM 0 H ARG A 53 5.914 -8.755 5.639 1.00 0.00 H new ATOM 0 HA ARG A 53 4.052 -10.895 5.855 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.007 -10.129 7.411 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.849 -8.991 8.070 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.634 -10.803 9.517 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.307 -11.067 8.403 1.00 0.00 H new ATOM 0 HD2 ARG A 53 4.558 -12.730 7.168 1.00 0.00 H new ATOM 0 HD3 ARG A 53 6.044 -12.328 8.007 1.00 0.00 H new ATOM 0 HE ARG A 53 4.285 -13.087 10.041 1.00 0.00 H new ATOM 0 HH11 ARG A 53 5.551 -14.521 7.075 1.00 0.00 H new ATOM 0 HH12 ARG A 53 5.459 -16.172 7.696 1.00 0.00 H new ATOM 0 HH21 ARG A 53 4.168 -15.210 10.832 1.00 0.00 H new ATOM 0 HH22 ARG A 53 4.679 -16.562 9.816 1.00 0.00 H new ATOM 895 N ALA A 54 2.944 -7.834 6.299 1.00 0.00 N ATOM 896 CA ALA A 54 1.737 -7.028 6.422 1.00 0.00 C ATOM 897 C ALA A 54 0.792 -7.271 5.250 1.00 0.00 C ATOM 898 O ALA A 54 -0.409 -7.471 5.439 1.00 0.00 O ATOM 899 CB ALA A 54 2.095 -5.552 6.517 1.00 0.00 C ATOM 0 H ALA A 54 3.799 -7.295 6.167 1.00 0.00 H new ATOM 0 HA ALA A 54 1.223 -7.325 7.336 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.183 -4.962 6.608 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.724 -5.386 7.391 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.634 -5.250 5.619 1.00 0.00 H new ATOM 905 N ILE A 55 1.341 -7.251 4.040 1.00 0.00 N ATOM 906 CA ILE A 55 0.546 -7.470 2.838 1.00 0.00 C ATOM 907 C ILE A 55 -0.059 -8.869 2.827 1.00 0.00 C ATOM 908 O ILE A 55 -1.251 -9.037 2.573 1.00 0.00 O ATOM 909 CB ILE A 55 1.390 -7.278 1.564 1.00 0.00 C ATOM 910 CG1 ILE A 55 1.655 -5.790 1.321 1.00 0.00 C ATOM 911 CG2 ILE A 55 0.688 -7.898 0.365 1.00 0.00 C ATOM 912 CD1 ILE A 55 2.854 -5.526 0.437 1.00 0.00 C ATOM 0 H ILE A 55 2.332 -7.086 3.866 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.255 -6.731 2.849 1.00 0.00 H new ATOM 0 HB ILE A 55 2.347 -7.781 1.701 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.772 -5.342 0.865 1.00 0.00 H new ATOM 0 HG13 ILE A 55 1.805 -5.295 2.280 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.297 -7.754 -0.528 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.545 -8.965 0.539 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.281 -7.420 0.224 1.00 0.00 H new ATOM 0 HD11 ILE A 55 2.981 -4.451 0.308 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.747 -5.944 0.901 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.698 -5.992 -0.536 1.00 0.00 H new ATOM 924 N GLU A 56 0.771 -9.870 3.105 1.00 0.00 N ATOM 925 CA GLU A 56 0.315 -11.255 3.128 1.00 0.00 C ATOM 926 C GLU A 56 -0.778 -11.451 4.173 1.00 0.00 C ATOM 927 O GLU A 56 -1.721 -12.218 3.967 1.00 0.00 O ATOM 928 CB GLU A 56 1.487 -12.196 3.417 1.00 0.00 C ATOM 929 CG GLU A 56 1.353 -13.557 2.756 1.00 0.00 C ATOM 930 CD GLU A 56 0.902 -13.463 1.311 1.00 0.00 C ATOM 931 OE1 GLU A 56 1.774 -13.350 0.424 1.00 0.00 O ATOM 932 OE2 GLU A 56 -0.323 -13.500 1.068 1.00 0.00 O ATOM 0 H GLU A 56 1.761 -9.748 3.317 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.098 -11.491 2.147 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.411 -11.727 3.078 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.575 -12.332 4.495 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.312 -14.074 2.800 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.639 -14.160 3.317 1.00 0.00 H new ATOM 939 N THR A 57 -0.648 -10.753 5.297 1.00 0.00 N ATOM 940 CA THR A 57 -1.623 -10.851 6.375 1.00 0.00 C ATOM 941 C THR A 57 -2.854 -10.000 6.083 1.00 0.00 C ATOM 942 O THR A 57 -3.951 -10.293 6.559 1.00 0.00 O ATOM 943 CB THR A 57 -1.017 -10.411 7.722 1.00 0.00 C ATOM 944 OG1 THR A 57 0.021 -11.317 8.110 1.00 0.00 O ATOM 945 CG2 THR A 57 -2.084 -10.360 8.804 1.00 0.00 C ATOM 0 H THR A 57 0.124 -10.113 5.484 1.00 0.00 H new ATOM 0 HA THR A 57 -1.916 -11.899 6.441 1.00 0.00 H new ATOM 0 HB THR A 57 -0.599 -9.412 7.599 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.865 -11.047 7.691 1.00 0.00 H new ATOM 0 HG21 THR A 57 -1.633 -10.047 9.746 1.00 0.00 H new ATOM 0 HG22 THR A 57 -2.858 -9.648 8.518 1.00 0.00 H new ATOM 0 HG23 THR A 57 -2.527 -11.349 8.925 1.00 0.00 H new ATOM 953 N LEU A 58 -2.665 -8.945 5.297 1.00 0.00 N ATOM 954 CA LEU A 58 -3.761 -8.052 4.940 1.00 0.00 C ATOM 955 C LEU A 58 -4.332 -8.410 3.572 1.00 0.00 C ATOM 956 O LEU A 58 -5.461 -8.888 3.466 1.00 0.00 O ATOM 957 CB LEU A 58 -3.280 -6.599 4.940 1.00 0.00 C ATOM 958 CG LEU A 58 -2.764 -6.062 6.276 1.00 0.00 C ATOM 959 CD1 LEU A 58 -1.978 -4.777 6.066 1.00 0.00 C ATOM 960 CD2 LEU A 58 -3.918 -5.833 7.240 1.00 0.00 C ATOM 0 H LEU A 58 -1.763 -8.688 4.895 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.549 -8.168 5.684 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.485 -6.500 4.200 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.103 -5.965 4.610 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.096 -6.805 6.712 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.619 -4.409 7.027 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.129 -4.973 5.412 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.623 -4.027 5.609 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.532 -5.451 8.185 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.611 -5.109 6.812 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.439 -6.775 7.415 1.00 0.00 H new ATOM 972 N SER A 59 -3.544 -8.177 2.528 1.00 0.00 N ATOM 973 CA SER A 59 -3.972 -8.475 1.165 1.00 0.00 C ATOM 974 C SER A 59 -4.435 -9.923 1.045 1.00 0.00 C ATOM 975 O SER A 59 -3.626 -10.850 1.092 1.00 0.00 O ATOM 976 CB SER A 59 -2.832 -8.207 0.180 1.00 0.00 C ATOM 977 OG SER A 59 -3.311 -8.164 -1.152 1.00 0.00 O ATOM 0 H SER A 59 -2.606 -7.783 2.599 1.00 0.00 H new ATOM 0 HA SER A 59 -4.812 -7.823 0.923 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.348 -7.262 0.427 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.076 -8.986 0.273 1.00 0.00 H new ATOM 0 HG SER A 59 -2.560 -8.022 -1.765 1.00 0.00 H new ATOM 983 N GLY A 60 -5.742 -10.111 0.890 1.00 0.00 N ATOM 984 CA GLY A 60 -6.290 -11.448 0.766 1.00 0.00 C ATOM 985 C GLY A 60 -6.757 -12.009 2.094 1.00 0.00 C ATOM 986 O GLY A 60 -7.536 -12.962 2.136 1.00 0.00 O ATOM 0 H GLY A 60 -6.431 -9.360 0.848 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.127 -11.431 0.068 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.534 -12.109 0.341 1.00 0.00 H new ATOM 990 N LYS A 61 -6.281 -11.418 3.185 1.00 0.00 N ATOM 991 CA LYS A 61 -6.654 -11.864 4.522 1.00 0.00 C ATOM 992 C LYS A 61 -7.365 -10.753 5.288 1.00 0.00 C ATOM 993 O LYS A 61 -7.475 -10.802 6.512 1.00 0.00 O ATOM 994 CB LYS A 61 -5.413 -12.317 5.295 1.00 0.00 C ATOM 995 CG LYS A 61 -5.082 -13.788 5.104 1.00 0.00 C ATOM 996 CD LYS A 61 -3.749 -14.145 5.740 1.00 0.00 C ATOM 997 CE LYS A 61 -3.330 -15.566 5.392 1.00 0.00 C ATOM 998 NZ LYS A 61 -3.890 -16.559 6.350 1.00 0.00 N ATOM 0 H LYS A 61 -5.636 -10.628 3.169 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.339 -12.706 4.419 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -4.559 -11.717 4.980 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.565 -12.122 6.357 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.871 -14.400 5.542 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -5.052 -14.020 4.039 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -2.984 -13.446 5.402 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -3.821 -14.040 6.823 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -3.664 -15.806 4.383 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -2.242 -15.634 5.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -3.582 -17.515 6.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -3.551 -16.345 7.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -4.929 -16.512 6.331 1.00 0.00 H new ATOM 1012 N VAL A 62 -7.845 -9.752 4.558 1.00 0.00 N ATOM 1013 CA VAL A 62 -8.548 -8.629 5.168 1.00 0.00 C ATOM 1014 C VAL A 62 -9.646 -8.103 4.251 1.00 0.00 C ATOM 1015 O VAL A 62 -9.431 -7.917 3.053 1.00 0.00 O ATOM 1016 CB VAL A 62 -7.581 -7.478 5.506 1.00 0.00 C ATOM 1017 CG1 VAL A 62 -8.352 -6.198 5.788 1.00 0.00 C ATOM 1018 CG2 VAL A 62 -6.700 -7.852 6.688 1.00 0.00 C ATOM 0 H VAL A 62 -7.760 -9.695 3.543 1.00 0.00 H new ATOM 0 HA VAL A 62 -8.996 -9.000 6.090 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.937 -7.303 4.644 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -7.652 -5.396 6.025 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -8.935 -5.923 4.909 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -9.022 -6.356 6.633 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -6.023 -7.028 6.913 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -7.325 -8.056 7.557 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -6.119 -8.741 6.442 1.00 0.00 H new ATOM 1028 N GLU A 63 -10.823 -7.864 4.820 1.00 0.00 N ATOM 1029 CA GLU A 63 -11.954 -7.359 4.052 1.00 0.00 C ATOM 1030 C GLU A 63 -12.525 -6.096 4.690 1.00 0.00 C ATOM 1031 O GLU A 63 -12.780 -6.055 5.894 1.00 0.00 O ATOM 1032 CB GLU A 63 -13.045 -8.428 3.948 1.00 0.00 C ATOM 1033 CG GLU A 63 -14.181 -8.049 3.012 1.00 0.00 C ATOM 1034 CD GLU A 63 -15.266 -9.106 2.952 1.00 0.00 C ATOM 1035 OE1 GLU A 63 -15.945 -9.317 3.979 1.00 0.00 O ATOM 1036 OE2 GLU A 63 -15.435 -9.724 1.880 1.00 0.00 O ATOM 0 H GLU A 63 -11.018 -8.012 5.810 1.00 0.00 H new ATOM 0 HA GLU A 63 -11.599 -7.111 3.051 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -12.597 -9.360 3.603 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -13.452 -8.618 4.941 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -14.617 -7.105 3.339 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -13.782 -7.886 2.011 1.00 0.00 H new ATOM 1043 N LEU A 64 -12.722 -5.066 3.874 1.00 0.00 N ATOM 1044 CA LEU A 64 -13.262 -3.799 4.358 1.00 0.00 C ATOM 1045 C LEU A 64 -14.587 -3.478 3.676 1.00 0.00 C ATOM 1046 O LEU A 64 -14.655 -3.358 2.452 1.00 0.00 O ATOM 1047 CB LEU A 64 -12.260 -2.669 4.112 1.00 0.00 C ATOM 1048 CG LEU A 64 -12.333 -1.487 5.079 1.00 0.00 C ATOM 1049 CD1 LEU A 64 -12.393 -1.976 6.518 1.00 0.00 C ATOM 1050 CD2 LEU A 64 -11.143 -0.560 4.878 1.00 0.00 C ATOM 0 H LEU A 64 -12.516 -5.083 2.875 1.00 0.00 H new ATOM 0 HA LEU A 64 -13.439 -3.892 5.429 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -11.254 -3.086 4.155 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -12.407 -2.294 3.099 1.00 0.00 H new ATOM 0 HG LEU A 64 -13.244 -0.927 4.870 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -12.445 -1.120 7.191 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -13.277 -2.599 6.654 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -11.500 -2.560 6.741 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -11.211 0.276 5.574 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -10.219 -1.109 5.060 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -11.145 -0.182 3.856 1.00 0.00 H new ATOM 1062 N HIS A 65 -15.640 -3.336 4.476 1.00 0.00 N ATOM 1063 CA HIS A 65 -16.964 -3.024 3.950 1.00 0.00 C ATOM 1064 C HIS A 65 -17.473 -4.153 3.058 1.00 0.00 C ATOM 1065 O HIS A 65 -18.262 -3.925 2.142 1.00 0.00 O ATOM 1066 CB HIS A 65 -16.927 -1.714 3.163 1.00 0.00 C ATOM 1067 CG HIS A 65 -17.203 -0.504 4.001 1.00 0.00 C ATOM 1068 ND1 HIS A 65 -18.476 -0.028 4.238 1.00 0.00 N ATOM 1069 CD2 HIS A 65 -16.363 0.327 4.661 1.00 0.00 C ATOM 1070 CE1 HIS A 65 -18.406 1.045 5.007 1.00 0.00 C ATOM 1071 NE2 HIS A 65 -17.135 1.281 5.278 1.00 0.00 N ATOM 0 H HIS A 65 -15.601 -3.432 5.491 1.00 0.00 H new ATOM 0 HA HIS A 65 -17.647 -2.914 4.793 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -15.947 -1.607 2.697 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -17.660 -1.763 2.357 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -15.286 0.254 4.696 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -19.245 1.629 5.355 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -16.784 2.047 5.852 1.00 0.00 H new ATOM 1079 N GLY A 66 -17.017 -5.371 3.334 1.00 0.00 N ATOM 1080 CA GLY A 66 -17.437 -6.516 2.547 1.00 0.00 C ATOM 1081 C GLY A 66 -16.613 -6.687 1.286 1.00 0.00 C ATOM 1082 O GLY A 66 -16.858 -7.598 0.495 1.00 0.00 O ATOM 0 H GLY A 66 -16.365 -5.585 4.088 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -17.359 -7.418 3.154 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -18.487 -6.403 2.278 1.00 0.00 H new ATOM 1086 N LYS A 67 -15.635 -5.808 1.098 1.00 0.00 N ATOM 1087 CA LYS A 67 -14.772 -5.865 -0.076 1.00 0.00 C ATOM 1088 C LYS A 67 -13.338 -6.204 0.319 1.00 0.00 C ATOM 1089 O LYS A 67 -12.755 -5.557 1.190 1.00 0.00 O ATOM 1090 CB LYS A 67 -14.804 -4.529 -0.823 1.00 0.00 C ATOM 1091 CG LYS A 67 -16.155 -4.209 -1.438 1.00 0.00 C ATOM 1092 CD LYS A 67 -16.182 -2.808 -2.026 1.00 0.00 C ATOM 1093 CE LYS A 67 -17.486 -2.537 -2.761 1.00 0.00 C ATOM 1094 NZ LYS A 67 -17.311 -1.539 -3.852 1.00 0.00 N ATOM 0 H LYS A 67 -15.420 -5.048 1.743 1.00 0.00 H new ATOM 0 HA LYS A 67 -15.145 -6.651 -0.733 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -14.529 -3.730 -0.134 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -14.050 -4.544 -1.610 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -16.382 -4.936 -2.217 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -16.932 -4.301 -0.679 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -16.053 -2.075 -1.229 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -15.344 -2.684 -2.712 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -17.868 -3.469 -3.179 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -18.233 -2.175 -2.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -18.222 -1.382 -4.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -16.971 -0.642 -3.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -16.617 -1.895 -4.540 1.00 0.00 H new ATOM 1108 N ILE A 68 -12.776 -7.220 -0.328 1.00 0.00 N ATOM 1109 CA ILE A 68 -11.410 -7.642 -0.046 1.00 0.00 C ATOM 1110 C ILE A 68 -10.404 -6.585 -0.491 1.00 0.00 C ATOM 1111 O ILE A 68 -10.445 -6.114 -1.627 1.00 0.00 O ATOM 1112 CB ILE A 68 -11.077 -8.975 -0.741 1.00 0.00 C ATOM 1113 CG1 ILE A 68 -12.177 -10.004 -0.472 1.00 0.00 C ATOM 1114 CG2 ILE A 68 -9.729 -9.497 -0.269 1.00 0.00 C ATOM 1115 CD1 ILE A 68 -12.218 -10.483 0.963 1.00 0.00 C ATOM 0 H ILE A 68 -13.246 -7.766 -1.051 1.00 0.00 H new ATOM 0 HA ILE A 68 -11.339 -7.777 1.033 1.00 0.00 H new ATOM 0 HB ILE A 68 -11.021 -8.803 -1.816 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -13.142 -9.568 -0.729 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -12.030 -10.861 -1.129 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -9.508 -10.440 -0.770 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -8.953 -8.769 -0.507 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -9.758 -9.657 0.809 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -13.021 -11.210 1.081 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -11.266 -10.949 1.218 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -12.396 -9.635 1.625 1.00 0.00 H new ATOM 1127 N MET A 69 -9.502 -6.218 0.412 1.00 0.00 N ATOM 1128 CA MET A 69 -8.483 -5.218 0.112 1.00 0.00 C ATOM 1129 C MET A 69 -7.243 -5.870 -0.491 1.00 0.00 C ATOM 1130 O MET A 69 -6.802 -6.924 -0.036 1.00 0.00 O ATOM 1131 CB MET A 69 -8.104 -4.447 1.378 1.00 0.00 C ATOM 1132 CG MET A 69 -6.955 -5.076 2.151 1.00 0.00 C ATOM 1133 SD MET A 69 -6.771 -4.384 3.806 1.00 0.00 S ATOM 1134 CE MET A 69 -6.390 -2.677 3.418 1.00 0.00 C ATOM 0 H MET A 69 -9.455 -6.597 1.358 1.00 0.00 H new ATOM 0 HA MET A 69 -8.897 -4.522 -0.617 1.00 0.00 H new ATOM 0 HB2 MET A 69 -7.832 -3.427 1.105 1.00 0.00 H new ATOM 0 HB3 MET A 69 -8.976 -4.381 2.029 1.00 0.00 H new ATOM 0 HG2 MET A 69 -7.119 -6.151 2.227 1.00 0.00 H new ATOM 0 HG3 MET A 69 -6.028 -4.933 1.596 1.00 0.00 H new ATOM 0 HE1 MET A 69 -5.713 -2.275 4.171 1.00 0.00 H new ATOM 0 HE2 MET A 69 -5.916 -2.624 2.438 1.00 0.00 H new ATOM 0 HE3 MET A 69 -7.310 -2.092 3.408 1.00 0.00 H new ATOM 1144 N GLU A 70 -6.685 -5.235 -1.518 1.00 0.00 N ATOM 1145 CA GLU A 70 -5.497 -5.756 -2.183 1.00 0.00 C ATOM 1146 C GLU A 70 -4.310 -4.814 -1.992 1.00 0.00 C ATOM 1147 O GLU A 70 -4.392 -3.625 -2.295 1.00 0.00 O ATOM 1148 CB GLU A 70 -5.767 -5.957 -3.676 1.00 0.00 C ATOM 1149 CG GLU A 70 -4.537 -6.369 -4.466 1.00 0.00 C ATOM 1150 CD GLU A 70 -4.782 -6.376 -5.963 1.00 0.00 C ATOM 1151 OE1 GLU A 70 -5.762 -7.013 -6.402 1.00 0.00 O ATOM 1152 OE2 GLU A 70 -3.992 -5.745 -6.696 1.00 0.00 O ATOM 0 H GLU A 70 -7.037 -4.360 -1.907 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.252 -6.718 -1.733 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.538 -6.717 -3.798 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.163 -5.031 -4.093 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -3.718 -5.687 -4.239 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -4.221 -7.363 -4.148 1.00 0.00 H new ATOM 1159 N VAL A 71 -3.208 -5.358 -1.486 1.00 0.00 N ATOM 1160 CA VAL A 71 -2.004 -4.569 -1.253 1.00 0.00 C ATOM 1161 C VAL A 71 -0.819 -5.133 -2.029 1.00 0.00 C ATOM 1162 O VAL A 71 -0.510 -6.321 -1.934 1.00 0.00 O ATOM 1163 CB VAL A 71 -1.646 -4.517 0.243 1.00 0.00 C ATOM 1164 CG1 VAL A 71 -0.659 -3.394 0.519 1.00 0.00 C ATOM 1165 CG2 VAL A 71 -2.902 -4.353 1.086 1.00 0.00 C ATOM 0 H VAL A 71 -3.124 -6.342 -1.230 1.00 0.00 H new ATOM 0 HA VAL A 71 -2.216 -3.559 -1.602 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.172 -5.459 0.517 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.419 -3.374 1.582 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.252 -3.561 -0.056 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.102 -2.441 0.229 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -2.630 -4.318 2.141 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.407 -3.427 0.811 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.570 -5.196 0.911 1.00 0.00 H new ATOM 1175 N ASP A 72 -0.158 -4.274 -2.796 1.00 0.00 N ATOM 1176 CA ASP A 72 0.995 -4.686 -3.588 1.00 0.00 C ATOM 1177 C ASP A 72 1.970 -3.527 -3.772 1.00 0.00 C ATOM 1178 O ASP A 72 1.561 -2.373 -3.903 1.00 0.00 O ATOM 1179 CB ASP A 72 0.544 -5.210 -4.952 1.00 0.00 C ATOM 1180 CG ASP A 72 -0.345 -6.433 -4.836 1.00 0.00 C ATOM 1181 OD1 ASP A 72 -1.545 -6.268 -4.533 1.00 0.00 O ATOM 1182 OD2 ASP A 72 0.159 -7.556 -5.049 1.00 0.00 O ATOM 0 H ASP A 72 -0.401 -3.287 -2.886 1.00 0.00 H new ATOM 0 HA ASP A 72 1.505 -5.486 -3.051 1.00 0.00 H new ATOM 0 HB2 ASP A 72 0.007 -4.423 -5.481 1.00 0.00 H new ATOM 0 HB3 ASP A 72 1.420 -5.457 -5.551 1.00 0.00 H new ATOM 1187 N TYR A 73 3.261 -3.842 -3.781 1.00 0.00 N ATOM 1188 CA TYR A 73 4.294 -2.826 -3.945 1.00 0.00 C ATOM 1189 C TYR A 73 3.868 -1.776 -4.966 1.00 0.00 C ATOM 1190 O TYR A 73 3.550 -2.099 -6.110 1.00 0.00 O ATOM 1191 CB TYR A 73 5.610 -3.474 -4.382 1.00 0.00 C ATOM 1192 CG TYR A 73 6.011 -4.660 -3.536 1.00 0.00 C ATOM 1193 CD1 TYR A 73 6.038 -4.572 -2.150 1.00 0.00 C ATOM 1194 CD2 TYR A 73 6.363 -5.870 -4.122 1.00 0.00 C ATOM 1195 CE1 TYR A 73 6.405 -5.654 -1.372 1.00 0.00 C ATOM 1196 CE2 TYR A 73 6.730 -6.957 -3.352 1.00 0.00 C ATOM 1197 CZ TYR A 73 6.749 -6.843 -1.978 1.00 0.00 C ATOM 1198 OH TYR A 73 7.115 -7.924 -1.208 1.00 0.00 O ATOM 0 H TYR A 73 3.617 -4.792 -3.677 1.00 0.00 H new ATOM 0 HA TYR A 73 4.440 -2.333 -2.984 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.521 -3.793 -5.421 1.00 0.00 H new ATOM 0 HB3 TYR A 73 6.403 -2.727 -4.345 1.00 0.00 H new ATOM 0 HD1 TYR A 73 5.768 -3.642 -1.672 1.00 0.00 H new ATOM 0 HD2 TYR A 73 6.349 -5.962 -5.198 1.00 0.00 H new ATOM 0 HE1 TYR A 73 6.422 -5.568 -0.296 1.00 0.00 H new ATOM 0 HE2 TYR A 73 7.000 -7.890 -3.823 1.00 0.00 H new ATOM 0 HH TYR A 73 7.326 -8.684 -1.790 1.00 0.00 H new ATOM 1208 N SER A 74 3.864 -0.516 -4.542 1.00 0.00 N ATOM 1209 CA SER A 74 3.474 0.584 -5.417 1.00 0.00 C ATOM 1210 C SER A 74 4.561 0.869 -6.449 1.00 0.00 C ATOM 1211 O SER A 74 5.405 1.744 -6.253 1.00 0.00 O ATOM 1212 CB SER A 74 3.192 1.842 -4.595 1.00 0.00 C ATOM 1213 OG SER A 74 4.365 2.302 -3.946 1.00 0.00 O ATOM 0 H SER A 74 4.126 -0.232 -3.598 1.00 0.00 H new ATOM 0 HA SER A 74 2.565 0.292 -5.944 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.802 2.625 -5.245 1.00 0.00 H new ATOM 0 HB3 SER A 74 2.422 1.630 -3.853 1.00 0.00 H new ATOM 0 HG SER A 74 4.803 1.552 -3.492 1.00 0.00 H new