USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 739 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 12 HIS : no HE2:sc= 0.165 K(o=-8.7,f=-19!) USER MOD Set 1.2: A 72 SER OG : rot -95:sc= 0.0754 USER MOD Set 1.3: A 109 THR OG1 : rot 69:sc= -0.597! USER MOD Set 1.4: A 114 HIS : no HD1:sc= -8.39! C(o=-8.7!,f=-13!) USER MOD Set 2.1: A 7 GLN :FLIP amide:sc= -6.27! C(o=-9.6!,f=-7.4!) USER MOD Set 2.2: A 81 SER OG : rot 144:sc= -1.12! USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot -109:sc= -1.74! USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 HIS : no HD1:sc= -4.63! C(o=-4.6!,f=-5.4!) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 THR OG1 : rot 36:sc= 0.00356 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.018 USER MOD Single : A 45 GLN : amide:sc= -0.541 K(o=-0.54,f=-4.5!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 134:sc= -0.626! USER MOD Single : A 57 LYS NZ :NH3+ 161:sc= 0.427 (180deg=0.276) USER MOD Single : A 59 ASN : amide:sc= -0.418 X(o=-0.42,f=-0.16) USER MOD Single : A 65 THR OG1 : rot 106:sc= -3.79! USER MOD Single : A 68 SER OG : rot -84:sc= -3! USER MOD Single : A 70 CYS SG : rot 180:sc= -0.833 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -122:sc=-0.00354 (180deg=-0.348) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 MET CE :methyl -168:sc= -14! (180deg=-14.9!) USER MOD Single : A 88 GLN : amide:sc= -0.526 K(o=-0.53,f=-1.1) USER MOD Single : A 89 LYS NZ :NH3+ -128:sc= 0 (180deg=-0.0214) USER MOD Single : A 95 THR OG1 : rot 109:sc= -1.25! USER MOD Single : A 96 TYR OH : rot 30:sc= -0.0249 USER MOD Single : A 99 LYS NZ :NH3+ -157:sc=-0.00196 (180deg=-0.254) USER MOD Single : A 104 SER OG : rot -61:sc= 0.246 USER MOD Single : A 111 SER OG : rot -141:sc= 0.0607 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0.185 USER MOD ----------------------------------------------------------------- ATOM 92 N GLN A 7 18.408 5.792 1.331 1.00 0.00 N ATOM 93 CA GLN A 7 16.929 5.967 1.260 1.00 0.00 C ATOM 94 C GLN A 7 16.253 4.652 0.861 1.00 0.00 C ATOM 95 O GLN A 7 16.891 3.730 0.392 1.00 0.00 O ATOM 96 CB GLN A 7 16.705 7.032 0.186 1.00 0.00 C ATOM 97 CG GLN A 7 15.369 7.736 0.436 1.00 0.00 C ATOM 98 CD GLN A 7 15.299 9.021 -0.392 1.00 0.00 C ATOM 99 OE1 GLN A 7 16.097 9.172 -1.415 1.00 0.00 O flip ATOM 100 NE2 GLN A 7 14.508 9.898 -0.107 1.00 0.00 N flip ATOM 0 HA GLN A 7 16.505 6.260 2.220 1.00 0.00 H new ATOM 0 HB2 GLN A 7 17.519 7.757 0.202 1.00 0.00 H new ATOM 0 HB3 GLN A 7 16.707 6.573 -0.803 1.00 0.00 H new ATOM 0 HG2 GLN A 7 14.544 7.075 0.170 1.00 0.00 H new ATOM 0 HG3 GLN A 7 15.262 7.969 1.496 1.00 0.00 H new ATOM 0 HE21 GLN A 7 13.884 9.782 0.691 1.00 0.00 H new ATOM 0 HE22 GLN A 7 14.468 10.750 -0.666 1.00 0.00 H new ATOM 109 N VAL A 8 14.963 4.561 1.046 1.00 0.00 N ATOM 110 CA VAL A 8 14.237 3.308 0.680 1.00 0.00 C ATOM 111 C VAL A 8 13.172 3.604 -0.382 1.00 0.00 C ATOM 112 O VAL A 8 12.043 3.926 -0.067 1.00 0.00 O ATOM 113 CB VAL A 8 13.587 2.819 1.987 1.00 0.00 C ATOM 114 CG1 VAL A 8 13.065 4.014 2.790 1.00 0.00 C ATOM 115 CG2 VAL A 8 12.415 1.880 1.672 1.00 0.00 C ATOM 0 H VAL A 8 14.379 5.301 1.435 1.00 0.00 H new ATOM 0 HA VAL A 8 14.902 2.555 0.257 1.00 0.00 H new ATOM 0 HB VAL A 8 14.337 2.285 2.570 1.00 0.00 H new ATOM 0 HG11 VAL A 8 12.607 3.660 3.713 1.00 0.00 H new ATOM 0 HG12 VAL A 8 13.893 4.681 3.029 1.00 0.00 H new ATOM 0 HG13 VAL A 8 12.323 4.553 2.200 1.00 0.00 H new ATOM 0 HG21 VAL A 8 11.962 1.539 2.603 1.00 0.00 H new ATOM 0 HG22 VAL A 8 11.671 2.413 1.080 1.00 0.00 H new ATOM 0 HG23 VAL A 8 12.779 1.020 1.110 1.00 0.00 H new ATOM 125 N LYS A 9 13.516 3.487 -1.638 1.00 0.00 N ATOM 126 CA LYS A 9 12.509 3.749 -2.707 1.00 0.00 C ATOM 127 C LYS A 9 11.427 2.671 -2.656 1.00 0.00 C ATOM 128 O LYS A 9 11.614 1.631 -2.056 1.00 0.00 O ATOM 129 CB LYS A 9 13.273 3.665 -4.027 1.00 0.00 C ATOM 130 CG LYS A 9 14.241 4.840 -4.149 1.00 0.00 C ATOM 131 CD LYS A 9 14.238 5.348 -5.594 1.00 0.00 C ATOM 132 CE LYS A 9 15.048 6.643 -5.686 1.00 0.00 C ATOM 133 NZ LYS A 9 16.095 6.371 -6.710 1.00 0.00 N ATOM 0 H LYS A 9 14.444 3.223 -1.968 1.00 0.00 H new ATOM 0 HA LYS A 9 12.025 4.719 -2.589 1.00 0.00 H new ATOM 0 HB2 LYS A 9 13.822 2.725 -4.079 1.00 0.00 H new ATOM 0 HB3 LYS A 9 12.573 3.672 -4.862 1.00 0.00 H new ATOM 0 HG2 LYS A 9 13.948 5.640 -3.469 1.00 0.00 H new ATOM 0 HG3 LYS A 9 15.246 4.530 -3.862 1.00 0.00 H new ATOM 0 HD2 LYS A 9 14.663 4.594 -6.256 1.00 0.00 H new ATOM 0 HD3 LYS A 9 13.215 5.523 -5.926 1.00 0.00 H new ATOM 0 HE2 LYS A 9 14.418 7.483 -5.979 1.00 0.00 H new ATOM 0 HE3 LYS A 9 15.493 6.899 -4.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 16.692 7.215 -6.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 16.684 5.571 -6.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 15.642 6.137 -7.616 1.00 0.00 H new ATOM 147 N ALA A 10 10.299 2.890 -3.279 1.00 0.00 N ATOM 148 CA ALA A 10 9.238 1.835 -3.240 1.00 0.00 C ATOM 149 C ALA A 10 7.913 2.322 -3.835 1.00 0.00 C ATOM 150 O ALA A 10 7.735 3.484 -4.143 1.00 0.00 O ATOM 151 CB ALA A 10 9.051 1.515 -1.756 1.00 0.00 C ATOM 0 H ALA A 10 10.067 3.734 -3.803 1.00 0.00 H new ATOM 0 HA ALA A 10 9.534 0.969 -3.832 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.286 0.747 -1.643 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.992 1.154 -1.340 1.00 0.00 H new ATOM 0 HB3 ALA A 10 8.742 2.416 -1.226 1.00 0.00 H new ATOM 157 N SER A 11 6.980 1.418 -3.975 1.00 0.00 N ATOM 158 CA SER A 11 5.640 1.772 -4.524 1.00 0.00 C ATOM 159 C SER A 11 4.572 1.326 -3.526 1.00 0.00 C ATOM 160 O SER A 11 4.893 0.865 -2.448 1.00 0.00 O ATOM 161 CB SER A 11 5.528 0.981 -5.827 1.00 0.00 C ATOM 162 OG SER A 11 4.301 1.298 -6.468 1.00 0.00 O ATOM 0 H SER A 11 7.092 0.435 -3.728 1.00 0.00 H new ATOM 0 HA SER A 11 5.511 2.840 -4.696 1.00 0.00 H new ATOM 0 HB2 SER A 11 6.366 1.219 -6.483 1.00 0.00 H new ATOM 0 HB3 SER A 11 5.578 -0.088 -5.621 1.00 0.00 H new ATOM 0 HG SER A 11 3.695 0.530 -6.413 1.00 0.00 H new ATOM 168 N HIS A 12 3.308 1.440 -3.844 1.00 0.00 N ATOM 169 CA HIS A 12 2.298 0.987 -2.840 1.00 0.00 C ATOM 170 C HIS A 12 0.860 1.053 -3.380 1.00 0.00 C ATOM 171 O HIS A 12 0.554 1.780 -4.305 1.00 0.00 O ATOM 172 CB HIS A 12 2.506 1.924 -1.634 1.00 0.00 C ATOM 173 CG HIS A 12 1.426 2.974 -1.565 1.00 0.00 C ATOM 174 ND1 HIS A 12 0.244 2.771 -0.870 1.00 0.00 N ATOM 175 CD2 HIS A 12 1.335 4.235 -2.098 1.00 0.00 C ATOM 176 CE1 HIS A 12 -0.500 3.883 -1.002 1.00 0.00 C ATOM 177 NE2 HIS A 12 0.118 4.808 -1.741 1.00 0.00 N ATOM 0 H HIS A 12 2.941 1.812 -4.720 1.00 0.00 H new ATOM 0 HA HIS A 12 2.435 -0.062 -2.576 1.00 0.00 H new ATOM 0 HB2 HIS A 12 2.509 1.341 -0.713 1.00 0.00 H new ATOM 0 HB3 HIS A 12 3.481 2.406 -1.709 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -0.014 1.931 -0.353 1.00 0.00 H new ATOM 0 HD2 HIS A 12 2.093 4.711 -2.703 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -1.479 4.013 -0.564 1.00 0.00 H new ATOM 185 N ILE A 13 -0.019 0.294 -2.776 1.00 0.00 N ATOM 186 CA ILE A 13 -1.452 0.281 -3.196 1.00 0.00 C ATOM 187 C ILE A 13 -2.335 0.135 -1.947 1.00 0.00 C ATOM 188 O ILE A 13 -1.846 -0.088 -0.858 1.00 0.00 O ATOM 189 CB ILE A 13 -1.585 -0.943 -4.118 1.00 0.00 C ATOM 190 CG1 ILE A 13 -1.301 -0.516 -5.564 1.00 0.00 C ATOM 191 CG2 ILE A 13 -3.002 -1.526 -4.026 1.00 0.00 C ATOM 192 CD1 ILE A 13 -1.837 -1.572 -6.537 1.00 0.00 C ATOM 0 H ILE A 13 0.200 -0.327 -1.997 1.00 0.00 H new ATOM 0 HA ILE A 13 -1.761 1.193 -3.707 1.00 0.00 H new ATOM 0 HB ILE A 13 -0.870 -1.705 -3.807 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.769 0.447 -5.766 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.229 -0.386 -5.710 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.083 -2.392 -4.683 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.204 -1.830 -2.999 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.727 -0.771 -4.330 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.631 -1.261 -7.561 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.349 -2.527 -6.343 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.913 -1.680 -6.400 1.00 0.00 H new ATOM 204 N LEU A 14 -3.627 0.251 -2.093 1.00 0.00 N ATOM 205 CA LEU A 14 -4.522 0.109 -0.907 1.00 0.00 C ATOM 206 C LEU A 14 -5.865 -0.489 -1.325 1.00 0.00 C ATOM 207 O LEU A 14 -6.443 -0.107 -2.321 1.00 0.00 O ATOM 208 CB LEU A 14 -4.713 1.530 -0.373 1.00 0.00 C ATOM 209 CG LEU A 14 -5.812 1.540 0.696 1.00 0.00 C ATOM 210 CD1 LEU A 14 -5.174 1.535 2.087 1.00 0.00 C ATOM 211 CD2 LEU A 14 -6.670 2.798 0.530 1.00 0.00 C ATOM 0 H LEU A 14 -4.101 0.437 -2.977 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.098 -0.554 -0.153 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.778 1.898 0.050 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.980 2.202 -1.189 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.438 0.655 0.583 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.956 1.542 2.846 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.563 0.640 2.204 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.548 2.419 2.203 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -7.452 2.808 1.289 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.044 3.683 0.643 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.125 2.800 -0.460 1.00 0.00 H new ATOM 223 N ILE A 15 -6.372 -1.416 -0.561 1.00 0.00 N ATOM 224 CA ILE A 15 -7.684 -2.030 -0.906 1.00 0.00 C ATOM 225 C ILE A 15 -8.729 -1.654 0.150 1.00 0.00 C ATOM 226 O ILE A 15 -9.902 -1.933 0.002 1.00 0.00 O ATOM 227 CB ILE A 15 -7.427 -3.540 -0.914 1.00 0.00 C ATOM 228 CG1 ILE A 15 -8.526 -4.239 -1.717 1.00 0.00 C ATOM 229 CG2 ILE A 15 -7.425 -4.077 0.521 1.00 0.00 C ATOM 230 CD1 ILE A 15 -8.017 -5.597 -2.198 1.00 0.00 C ATOM 0 H ILE A 15 -5.934 -1.775 0.288 1.00 0.00 H new ATOM 0 HA ILE A 15 -8.069 -1.686 -1.866 1.00 0.00 H new ATOM 0 HB ILE A 15 -6.457 -3.736 -1.371 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -9.415 -4.369 -1.100 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -8.816 -3.624 -2.569 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -7.242 -5.151 0.507 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -6.640 -3.582 1.094 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -8.392 -3.880 0.985 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -8.799 -6.097 -2.770 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -7.140 -5.454 -2.829 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.749 -6.210 -1.338 1.00 0.00 H new ATOM 242 N LYS A 16 -8.306 -1.020 1.212 1.00 0.00 N ATOM 243 CA LYS A 16 -9.263 -0.615 2.284 1.00 0.00 C ATOM 244 C LYS A 16 -9.887 -1.849 2.941 1.00 0.00 C ATOM 245 O LYS A 16 -9.832 -2.942 2.415 1.00 0.00 O ATOM 246 CB LYS A 16 -10.330 0.223 1.574 1.00 0.00 C ATOM 247 CG LYS A 16 -9.649 1.278 0.698 1.00 0.00 C ATOM 248 CD LYS A 16 -10.276 1.274 -0.698 1.00 0.00 C ATOM 249 CE LYS A 16 -9.879 2.554 -1.440 1.00 0.00 C ATOM 250 NZ LYS A 16 -10.612 2.494 -2.735 1.00 0.00 N ATOM 0 H LYS A 16 -7.334 -0.764 1.384 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.773 -0.054 3.080 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -10.965 -0.419 0.963 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -10.976 0.705 2.307 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -9.754 2.264 1.151 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.581 1.072 0.628 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -9.942 0.399 -1.256 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -11.361 1.207 -0.621 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -10.156 3.442 -0.871 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -8.802 2.600 -1.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -10.390 3.339 -3.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -10.323 1.643 -3.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -11.635 2.458 -2.553 1.00 0.00 H new ATOM 264 N HIS A 17 -10.476 -1.679 4.093 1.00 0.00 N ATOM 265 CA HIS A 17 -11.103 -2.836 4.793 1.00 0.00 C ATOM 266 C HIS A 17 -11.785 -2.368 6.082 1.00 0.00 C ATOM 267 O HIS A 17 -12.214 -1.236 6.191 1.00 0.00 O ATOM 268 CB HIS A 17 -9.945 -3.786 5.108 1.00 0.00 C ATOM 269 CG HIS A 17 -9.069 -3.184 6.173 1.00 0.00 C ATOM 270 ND1 HIS A 17 -9.148 -1.848 6.533 1.00 0.00 N ATOM 271 CD2 HIS A 17 -8.090 -3.728 6.966 1.00 0.00 C ATOM 272 CE1 HIS A 17 -8.241 -1.636 7.503 1.00 0.00 C ATOM 273 NE2 HIS A 17 -7.568 -2.749 7.805 1.00 0.00 N ATOM 0 H HIS A 17 -10.550 -0.786 4.581 1.00 0.00 H new ATOM 0 HA HIS A 17 -11.870 -3.319 4.188 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -10.332 -4.748 5.443 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -9.361 -3.974 4.207 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -7.773 -4.760 6.942 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -8.077 -0.681 7.980 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -6.830 -2.858 8.501 1.00 0.00 H new ATOM 281 N GLN A 18 -11.891 -3.229 7.056 1.00 0.00 N ATOM 282 CA GLN A 18 -12.547 -2.831 8.334 1.00 0.00 C ATOM 283 C GLN A 18 -11.741 -1.727 9.023 1.00 0.00 C ATOM 284 O GLN A 18 -12.006 -0.553 8.854 1.00 0.00 O ATOM 285 CB GLN A 18 -12.557 -4.099 9.188 1.00 0.00 C ATOM 286 CG GLN A 18 -13.947 -4.736 9.144 1.00 0.00 C ATOM 287 CD GLN A 18 -14.576 -4.690 10.538 1.00 0.00 C ATOM 288 OE1 GLN A 18 -14.502 -5.646 11.283 1.00 0.00 O ATOM 289 NE2 GLN A 18 -15.199 -3.610 10.923 1.00 0.00 N ATOM 0 H GLN A 18 -11.552 -4.190 7.023 1.00 0.00 H new ATOM 0 HA GLN A 18 -13.551 -2.438 8.176 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -11.811 -4.803 8.820 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -12.288 -3.859 10.217 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -14.579 -4.206 8.431 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -13.875 -5.768 8.800 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -15.261 -2.807 10.297 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -15.624 -3.569 11.850 1.00 0.00 H new ATOM 298 N GLY A 19 -10.760 -2.094 9.800 1.00 0.00 N ATOM 299 CA GLY A 19 -9.938 -1.067 10.500 1.00 0.00 C ATOM 300 C GLY A 19 -10.814 -0.312 11.503 1.00 0.00 C ATOM 301 O GLY A 19 -11.579 -0.902 12.240 1.00 0.00 O ATOM 0 H GLY A 19 -10.492 -3.061 9.981 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.103 -1.543 11.015 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -9.512 -0.372 9.777 1.00 0.00 H new ATOM 594 N THR A 37 -15.064 -6.318 3.005 1.00 0.00 N ATOM 595 CA THR A 37 -13.619 -6.646 3.190 1.00 0.00 C ATOM 596 C THR A 37 -13.165 -6.292 4.610 1.00 0.00 C ATOM 597 O THR A 37 -12.810 -5.166 4.895 1.00 0.00 O ATOM 598 CB THR A 37 -12.884 -5.785 2.160 1.00 0.00 C ATOM 599 OG1 THR A 37 -13.042 -6.358 0.869 1.00 0.00 O ATOM 600 CG2 THR A 37 -11.397 -5.720 2.511 1.00 0.00 C ATOM 0 HA THR A 37 -13.419 -7.709 3.054 1.00 0.00 H new ATOM 0 HB THR A 37 -13.300 -4.777 2.166 1.00 0.00 H new ATOM 0 HG1 THR A 37 -13.938 -6.747 0.791 1.00 0.00 H new ATOM 0 HG21 THR A 37 -10.876 -5.106 1.776 1.00 0.00 H new ATOM 0 HG22 THR A 37 -11.276 -5.281 3.501 1.00 0.00 H new ATOM 0 HG23 THR A 37 -10.978 -6.726 2.506 1.00 0.00 H new ATOM 608 N THR A 38 -13.168 -7.246 5.501 1.00 0.00 N ATOM 609 CA THR A 38 -12.732 -6.961 6.899 1.00 0.00 C ATOM 610 C THR A 38 -11.253 -7.316 7.073 1.00 0.00 C ATOM 611 O THR A 38 -10.555 -7.586 6.117 1.00 0.00 O ATOM 612 CB THR A 38 -13.605 -7.857 7.779 1.00 0.00 C ATOM 613 OG1 THR A 38 -13.424 -9.214 7.397 1.00 0.00 O ATOM 614 CG2 THR A 38 -15.072 -7.465 7.606 1.00 0.00 C ATOM 0 H THR A 38 -13.453 -8.209 5.322 1.00 0.00 H new ATOM 0 HA THR A 38 -12.840 -5.908 7.158 1.00 0.00 H new ATOM 0 HB THR A 38 -13.319 -7.734 8.824 1.00 0.00 H new ATOM 0 HG1 THR A 38 -13.981 -9.790 7.961 1.00 0.00 H new ATOM 0 HG21 THR A 38 -15.695 -8.103 8.233 1.00 0.00 H new ATOM 0 HG22 THR A 38 -15.208 -6.424 7.900 1.00 0.00 H new ATOM 0 HG23 THR A 38 -15.361 -7.588 6.562 1.00 0.00 H new ATOM 622 N ARG A 39 -10.767 -7.319 8.285 1.00 0.00 N ATOM 623 CA ARG A 39 -9.332 -7.661 8.507 1.00 0.00 C ATOM 624 C ARG A 39 -9.021 -9.016 7.874 1.00 0.00 C ATOM 625 O ARG A 39 -8.132 -9.145 7.056 1.00 0.00 O ATOM 626 CB ARG A 39 -9.161 -7.724 10.026 1.00 0.00 C ATOM 627 CG ARG A 39 -7.676 -7.604 10.374 1.00 0.00 C ATOM 628 CD ARG A 39 -7.521 -6.913 11.730 1.00 0.00 C ATOM 629 NE ARG A 39 -6.301 -7.517 12.332 1.00 0.00 N ATOM 630 CZ ARG A 39 -6.346 -8.725 12.824 1.00 0.00 C ATOM 631 NH1 ARG A 39 -7.218 -9.020 13.748 1.00 0.00 N ATOM 632 NH2 ARG A 39 -5.519 -9.637 12.391 1.00 0.00 N ATOM 0 H ARG A 39 -11.299 -7.101 9.128 1.00 0.00 H new ATOM 0 HA ARG A 39 -8.657 -6.932 8.059 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -9.723 -6.920 10.500 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -9.561 -8.662 10.410 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -7.218 -8.593 10.404 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -7.156 -7.035 9.603 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -7.411 -5.835 11.613 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -8.395 -7.078 12.360 1.00 0.00 H new ATOM 0 HE ARG A 39 -5.430 -6.987 12.360 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -7.864 -8.307 14.086 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -7.254 -9.964 14.133 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -4.838 -9.406 11.668 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -5.554 -10.581 12.775 1.00 0.00 H new ATOM 646 N GLU A 40 -9.758 -10.023 8.240 1.00 0.00 N ATOM 647 CA GLU A 40 -9.524 -11.371 7.658 1.00 0.00 C ATOM 648 C GLU A 40 -9.708 -11.312 6.142 1.00 0.00 C ATOM 649 O GLU A 40 -8.835 -11.681 5.382 1.00 0.00 O ATOM 650 CB GLU A 40 -10.593 -12.254 8.297 1.00 0.00 C ATOM 651 CG GLU A 40 -10.314 -13.722 7.969 1.00 0.00 C ATOM 652 CD GLU A 40 -9.105 -14.203 8.772 1.00 0.00 C ATOM 653 OE1 GLU A 40 -7.994 -14.006 8.307 1.00 0.00 O ATOM 654 OE2 GLU A 40 -9.309 -14.759 9.838 1.00 0.00 O ATOM 0 H GLU A 40 -10.516 -9.971 8.920 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.519 -11.748 7.845 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.601 -12.108 9.377 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -11.579 -11.971 7.930 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.187 -14.331 8.206 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -10.125 -13.838 6.902 1.00 0.00 H new ATOM 661 N ALA A 41 -10.841 -10.839 5.701 1.00 0.00 N ATOM 662 CA ALA A 41 -11.093 -10.741 4.235 1.00 0.00 C ATOM 663 C ALA A 41 -10.019 -9.875 3.576 1.00 0.00 C ATOM 664 O ALA A 41 -9.462 -10.224 2.554 1.00 0.00 O ATOM 665 CB ALA A 41 -12.465 -10.077 4.115 1.00 0.00 C ATOM 0 H ALA A 41 -11.605 -10.515 6.294 1.00 0.00 H new ATOM 0 HA ALA A 41 -11.066 -11.713 3.742 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.726 -9.968 3.062 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -13.213 -10.695 4.612 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -12.436 -9.094 4.585 1.00 0.00 H new ATOM 671 N ALA A 42 -9.726 -8.748 4.160 1.00 0.00 N ATOM 672 CA ALA A 42 -8.687 -7.853 3.577 1.00 0.00 C ATOM 673 C ALA A 42 -7.441 -8.662 3.225 1.00 0.00 C ATOM 674 O ALA A 42 -7.114 -8.851 2.070 1.00 0.00 O ATOM 675 CB ALA A 42 -8.373 -6.837 4.675 1.00 0.00 C ATOM 0 H ALA A 42 -10.161 -8.407 5.017 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.025 -7.368 2.661 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.613 -6.141 4.320 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -9.278 -6.287 4.931 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -8.003 -7.358 5.558 1.00 0.00 H new ATOM 681 N VAL A 43 -6.746 -9.147 4.213 1.00 0.00 N ATOM 682 CA VAL A 43 -5.524 -9.951 3.934 1.00 0.00 C ATOM 683 C VAL A 43 -5.809 -10.953 2.817 1.00 0.00 C ATOM 684 O VAL A 43 -4.982 -11.196 1.962 1.00 0.00 O ATOM 685 CB VAL A 43 -5.213 -10.676 5.243 1.00 0.00 C ATOM 686 CG1 VAL A 43 -3.988 -11.572 5.050 1.00 0.00 C ATOM 687 CG2 VAL A 43 -4.921 -9.646 6.337 1.00 0.00 C ATOM 0 H VAL A 43 -6.970 -9.022 5.200 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.686 -9.335 3.608 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.068 -11.286 5.534 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.765 -12.090 5.983 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.192 -12.304 4.269 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.133 -10.961 4.761 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.699 -10.161 7.272 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -4.065 -9.038 6.045 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -5.791 -9.004 6.474 1.00 0.00 H new ATOM 697 N GLU A 44 -6.980 -11.527 2.809 1.00 0.00 N ATOM 698 CA GLU A 44 -7.321 -12.502 1.735 1.00 0.00 C ATOM 699 C GLU A 44 -7.334 -11.784 0.389 1.00 0.00 C ATOM 700 O GLU A 44 -6.686 -12.193 -0.555 1.00 0.00 O ATOM 701 CB GLU A 44 -8.717 -13.017 2.086 1.00 0.00 C ATOM 702 CG GLU A 44 -8.643 -14.506 2.427 1.00 0.00 C ATOM 703 CD GLU A 44 -9.817 -15.239 1.776 1.00 0.00 C ATOM 704 OE1 GLU A 44 -10.837 -14.606 1.557 1.00 0.00 O ATOM 705 OE2 GLU A 44 -9.677 -16.421 1.507 1.00 0.00 O ATOM 0 H GLU A 44 -7.714 -11.364 3.498 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.603 -13.319 1.664 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -9.119 -12.459 2.932 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -9.396 -12.859 1.248 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.700 -14.924 2.075 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -8.669 -14.644 3.508 1.00 0.00 H new ATOM 712 N GLN A 45 -8.058 -10.705 0.300 1.00 0.00 N ATOM 713 CA GLN A 45 -8.099 -9.947 -0.979 1.00 0.00 C ATOM 714 C GLN A 45 -6.670 -9.622 -1.409 1.00 0.00 C ATOM 715 O GLN A 45 -6.353 -9.573 -2.581 1.00 0.00 O ATOM 716 CB GLN A 45 -8.875 -8.667 -0.662 1.00 0.00 C ATOM 717 CG GLN A 45 -9.898 -8.405 -1.768 1.00 0.00 C ATOM 718 CD GLN A 45 -11.064 -9.386 -1.629 1.00 0.00 C ATOM 719 OE1 GLN A 45 -10.904 -10.468 -1.100 1.00 0.00 O ATOM 720 NE2 GLN A 45 -12.239 -9.051 -2.087 1.00 0.00 N ATOM 0 H GLN A 45 -8.622 -10.316 1.056 1.00 0.00 H new ATOM 0 HA GLN A 45 -8.569 -10.504 -1.789 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -9.379 -8.763 0.299 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -8.189 -7.824 -0.579 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -10.262 -7.380 -1.705 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -9.429 -8.517 -2.746 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -12.373 -8.143 -2.531 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -13.023 -9.698 -2.001 1.00 0.00 H new ATOM 729 N LEU A 46 -5.803 -9.414 -0.457 1.00 0.00 N ATOM 730 CA LEU A 46 -4.385 -9.108 -0.785 1.00 0.00 C ATOM 731 C LEU A 46 -3.625 -10.413 -1.019 1.00 0.00 C ATOM 732 O LEU A 46 -2.744 -10.495 -1.852 1.00 0.00 O ATOM 733 CB LEU A 46 -3.845 -8.380 0.446 1.00 0.00 C ATOM 734 CG LEU A 46 -3.721 -6.888 0.138 1.00 0.00 C ATOM 735 CD1 LEU A 46 -5.043 -6.189 0.461 1.00 0.00 C ATOM 736 CD2 LEU A 46 -2.601 -6.284 0.990 1.00 0.00 C ATOM 0 H LEU A 46 -6.019 -9.443 0.540 1.00 0.00 H new ATOM 0 HA LEU A 46 -4.279 -8.505 -1.687 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.512 -8.533 1.295 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.873 -8.787 0.726 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.488 -6.752 -0.918 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.955 -5.125 0.242 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.840 -6.620 -0.145 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.277 -6.323 1.517 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.511 -5.220 0.772 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.834 -6.419 2.046 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.659 -6.782 0.760 1.00 0.00 H new ATOM 748 N LYS A 47 -3.972 -11.438 -0.295 1.00 0.00 N ATOM 749 CA LYS A 47 -3.286 -12.745 -0.478 1.00 0.00 C ATOM 750 C LYS A 47 -3.283 -13.114 -1.962 1.00 0.00 C ATOM 751 O LYS A 47 -2.320 -13.642 -2.485 1.00 0.00 O ATOM 752 CB LYS A 47 -4.124 -13.740 0.328 1.00 0.00 C ATOM 753 CG LYS A 47 -3.895 -13.513 1.824 1.00 0.00 C ATOM 754 CD LYS A 47 -3.078 -14.672 2.400 1.00 0.00 C ATOM 755 CE LYS A 47 -2.578 -14.297 3.797 1.00 0.00 C ATOM 756 NZ LYS A 47 -1.296 -15.038 3.958 1.00 0.00 N ATOM 0 H LYS A 47 -4.702 -11.427 0.417 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.247 -12.732 -0.147 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.180 -13.618 0.089 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.852 -14.761 0.059 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.371 -12.571 1.983 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.851 -13.437 2.341 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.690 -15.573 2.450 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.234 -14.896 1.748 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.426 -13.221 3.887 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.298 -14.582 4.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.891 -14.832 4.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.473 -16.059 3.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.628 -14.741 3.218 1.00 0.00 H new ATOM 770 N SER A 48 -4.355 -12.825 -2.645 1.00 0.00 N ATOM 771 CA SER A 48 -4.430 -13.143 -4.099 1.00 0.00 C ATOM 772 C SER A 48 -3.746 -12.044 -4.911 1.00 0.00 C ATOM 773 O SER A 48 -3.100 -12.308 -5.905 1.00 0.00 O ATOM 774 CB SER A 48 -5.923 -13.200 -4.417 1.00 0.00 C ATOM 775 OG SER A 48 -6.194 -14.360 -5.192 1.00 0.00 O ATOM 0 H SER A 48 -5.187 -12.380 -2.257 1.00 0.00 H new ATOM 0 HA SER A 48 -3.929 -14.079 -4.346 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.503 -13.222 -3.494 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.225 -12.306 -4.962 1.00 0.00 H new ATOM 0 HG SER A 48 -7.152 -14.401 -5.396 1.00 0.00 H new ATOM 781 N ILE A 49 -3.874 -10.813 -4.496 1.00 0.00 N ATOM 782 CA ILE A 49 -3.215 -9.713 -5.254 1.00 0.00 C ATOM 783 C ILE A 49 -1.703 -9.948 -5.263 1.00 0.00 C ATOM 784 O ILE A 49 -1.069 -9.938 -6.299 1.00 0.00 O ATOM 785 CB ILE A 49 -3.609 -8.413 -4.526 1.00 0.00 C ATOM 786 CG1 ILE A 49 -3.865 -7.315 -5.562 1.00 0.00 C ATOM 787 CG2 ILE A 49 -2.500 -7.952 -3.571 1.00 0.00 C ATOM 788 CD1 ILE A 49 -2.577 -7.034 -6.337 1.00 0.00 C ATOM 0 H ILE A 49 -4.402 -10.524 -3.672 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.525 -9.661 -6.298 1.00 0.00 H new ATOM 0 HB ILE A 49 -4.509 -8.606 -3.942 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.654 -7.624 -6.247 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -4.210 -6.407 -5.067 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.808 -7.033 -3.073 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.317 -8.726 -2.825 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.586 -7.770 -4.136 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.759 -6.252 -7.075 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.800 -6.707 -5.646 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.252 -7.942 -6.844 1.00 0.00 H new ATOM 800 N ARG A 50 -1.128 -10.192 -4.119 1.00 0.00 N ATOM 801 CA ARG A 50 0.334 -10.465 -4.078 1.00 0.00 C ATOM 802 C ARG A 50 0.605 -11.706 -4.925 1.00 0.00 C ATOM 803 O ARG A 50 1.623 -11.827 -5.577 1.00 0.00 O ATOM 804 CB ARG A 50 0.664 -10.723 -2.605 1.00 0.00 C ATOM 805 CG ARG A 50 -0.243 -11.825 -2.054 1.00 0.00 C ATOM 806 CD ARG A 50 0.495 -13.166 -2.097 1.00 0.00 C ATOM 807 NE ARG A 50 -0.242 -14.043 -1.146 1.00 0.00 N ATOM 808 CZ ARG A 50 0.416 -14.794 -0.306 1.00 0.00 C ATOM 809 NH1 ARG A 50 0.881 -15.951 -0.689 1.00 0.00 N ATOM 810 NH2 ARG A 50 0.607 -14.388 0.919 1.00 0.00 N ATOM 0 H ARG A 50 -1.604 -10.214 -3.217 1.00 0.00 H new ATOM 0 HA ARG A 50 0.939 -9.646 -4.467 1.00 0.00 H new ATOM 0 HB2 ARG A 50 1.709 -11.015 -2.503 1.00 0.00 H new ATOM 0 HB3 ARG A 50 0.531 -9.808 -2.028 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -0.535 -11.592 -1.030 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.159 -11.884 -2.641 1.00 0.00 H new ATOM 0 HD2 ARG A 50 0.493 -13.585 -3.103 1.00 0.00 H new ATOM 0 HD3 ARG A 50 1.538 -13.052 -1.801 1.00 0.00 H new ATOM 0 HE ARG A 50 -1.262 -14.057 -1.151 1.00 0.00 H new ATOM 0 HH11 ARG A 50 0.730 -16.270 -1.646 1.00 0.00 H new ATOM 0 HH12 ARG A 50 1.395 -16.537 -0.031 1.00 0.00 H new ATOM 0 HH21 ARG A 50 0.242 -13.484 1.219 1.00 0.00 H new ATOM 0 HH22 ARG A 50 1.121 -14.974 1.576 1.00 0.00 H new ATOM 824 N GLU A 51 -0.333 -12.615 -4.933 1.00 0.00 N ATOM 825 CA GLU A 51 -0.188 -13.849 -5.749 1.00 0.00 C ATOM 826 C GLU A 51 -0.289 -13.479 -7.225 1.00 0.00 C ATOM 827 O GLU A 51 0.641 -13.633 -7.991 1.00 0.00 O ATOM 828 CB GLU A 51 -1.376 -14.717 -5.324 1.00 0.00 C ATOM 829 CG GLU A 51 -1.734 -15.715 -6.429 1.00 0.00 C ATOM 830 CD GLU A 51 -0.458 -16.341 -6.996 1.00 0.00 C ATOM 831 OE1 GLU A 51 0.324 -16.856 -6.214 1.00 0.00 O ATOM 832 OE2 GLU A 51 -0.287 -16.296 -8.202 1.00 0.00 O ATOM 0 H GLU A 51 -1.202 -12.552 -4.402 1.00 0.00 H new ATOM 0 HA GLU A 51 0.763 -14.361 -5.606 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.132 -15.253 -4.407 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -2.236 -14.084 -5.105 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.386 -16.493 -6.032 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.286 -15.211 -7.222 1.00 0.00 H new ATOM 839 N ASP A 52 -1.415 -12.973 -7.624 1.00 0.00 N ATOM 840 CA ASP A 52 -1.569 -12.571 -9.047 1.00 0.00 C ATOM 841 C ASP A 52 -0.368 -11.713 -9.442 1.00 0.00 C ATOM 842 O ASP A 52 0.239 -11.915 -10.474 1.00 0.00 O ATOM 843 CB ASP A 52 -2.865 -11.761 -9.107 1.00 0.00 C ATOM 844 CG ASP A 52 -3.522 -11.950 -10.477 1.00 0.00 C ATOM 845 OD1 ASP A 52 -4.101 -13.002 -10.694 1.00 0.00 O ATOM 846 OD2 ASP A 52 -3.433 -11.040 -11.285 1.00 0.00 O ATOM 0 H ASP A 52 -2.232 -12.820 -7.033 1.00 0.00 H new ATOM 0 HA ASP A 52 -1.613 -13.420 -9.729 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -3.545 -12.083 -8.318 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.655 -10.705 -8.935 1.00 0.00 H new ATOM 851 N ILE A 53 0.000 -10.775 -8.611 1.00 0.00 N ATOM 852 CA ILE A 53 1.185 -9.935 -8.929 1.00 0.00 C ATOM 853 C ILE A 53 2.435 -10.807 -8.836 1.00 0.00 C ATOM 854 O ILE A 53 3.409 -10.598 -9.532 1.00 0.00 O ATOM 855 CB ILE A 53 1.205 -8.833 -7.868 1.00 0.00 C ATOM 856 CG1 ILE A 53 0.085 -7.829 -8.159 1.00 0.00 C ATOM 857 CG2 ILE A 53 2.557 -8.116 -7.908 1.00 0.00 C ATOM 858 CD1 ILE A 53 0.298 -6.563 -7.327 1.00 0.00 C ATOM 0 H ILE A 53 -0.467 -10.557 -7.731 1.00 0.00 H new ATOM 0 HA ILE A 53 1.149 -9.505 -9.930 1.00 0.00 H new ATOM 0 HB ILE A 53 1.054 -9.271 -6.881 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.073 -7.581 -9.220 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.883 -8.271 -7.924 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.574 -7.330 -7.153 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.354 -8.831 -7.706 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.706 -7.676 -8.894 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.500 -5.851 -7.537 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.288 -6.818 -6.267 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.259 -6.116 -7.583 1.00 0.00 H new ATOM 870 N VAL A 54 2.398 -11.804 -7.993 1.00 0.00 N ATOM 871 CA VAL A 54 3.567 -12.716 -7.868 1.00 0.00 C ATOM 872 C VAL A 54 3.785 -13.411 -9.212 1.00 0.00 C ATOM 873 O VAL A 54 4.882 -13.446 -9.735 1.00 0.00 O ATOM 874 CB VAL A 54 3.182 -13.702 -6.747 1.00 0.00 C ATOM 875 CG1 VAL A 54 3.571 -15.139 -7.113 1.00 0.00 C ATOM 876 CG2 VAL A 54 3.904 -13.300 -5.460 1.00 0.00 C ATOM 0 H VAL A 54 1.608 -12.025 -7.387 1.00 0.00 H new ATOM 0 HA VAL A 54 4.501 -12.212 -7.621 1.00 0.00 H new ATOM 0 HB VAL A 54 2.101 -13.663 -6.609 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.287 -15.810 -6.303 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.055 -15.434 -8.027 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.648 -15.196 -7.270 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.637 -13.992 -4.662 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.981 -13.331 -5.622 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.609 -12.290 -5.178 1.00 0.00 H new ATOM 886 N SER A 55 2.743 -13.939 -9.789 1.00 0.00 N ATOM 887 CA SER A 55 2.893 -14.599 -11.115 1.00 0.00 C ATOM 888 C SER A 55 2.518 -13.613 -12.216 1.00 0.00 C ATOM 889 O SER A 55 1.539 -12.902 -12.120 1.00 0.00 O ATOM 890 CB SER A 55 1.934 -15.780 -11.115 1.00 0.00 C ATOM 891 OG SER A 55 1.320 -15.898 -9.837 1.00 0.00 O ATOM 0 H SER A 55 1.799 -13.943 -9.403 1.00 0.00 H new ATOM 0 HA SER A 55 3.917 -14.928 -11.292 1.00 0.00 H new ATOM 0 HB2 SER A 55 1.173 -15.643 -11.884 1.00 0.00 H new ATOM 0 HB3 SER A 55 2.471 -16.697 -11.357 1.00 0.00 H new ATOM 0 HG SER A 55 0.357 -16.040 -9.949 1.00 0.00 H new ATOM 897 N GLY A 56 3.292 -13.550 -13.253 1.00 0.00 N ATOM 898 CA GLY A 56 2.985 -12.598 -14.342 1.00 0.00 C ATOM 899 C GLY A 56 3.265 -11.195 -13.828 1.00 0.00 C ATOM 900 O GLY A 56 2.556 -10.684 -12.984 1.00 0.00 O ATOM 0 H GLY A 56 4.127 -14.119 -13.394 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.595 -12.812 -15.219 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.943 -12.691 -14.648 1.00 0.00 H new ATOM 904 N LYS A 57 4.298 -10.572 -14.313 1.00 0.00 N ATOM 905 CA LYS A 57 4.634 -9.196 -13.842 1.00 0.00 C ATOM 906 C LYS A 57 3.539 -8.208 -14.257 1.00 0.00 C ATOM 907 O LYS A 57 3.803 -7.193 -14.872 1.00 0.00 O ATOM 908 CB LYS A 57 5.957 -8.853 -14.528 1.00 0.00 C ATOM 909 CG LYS A 57 6.431 -7.474 -14.067 1.00 0.00 C ATOM 910 CD LYS A 57 7.347 -7.630 -12.852 1.00 0.00 C ATOM 911 CE LYS A 57 8.046 -6.299 -12.565 1.00 0.00 C ATOM 912 NZ LYS A 57 9.414 -6.452 -13.133 1.00 0.00 N ATOM 0 H LYS A 57 4.929 -10.954 -15.018 1.00 0.00 H new ATOM 0 HA LYS A 57 4.712 -9.141 -12.756 1.00 0.00 H new ATOM 0 HB2 LYS A 57 6.708 -9.606 -14.289 1.00 0.00 H new ATOM 0 HB3 LYS A 57 5.830 -8.862 -15.611 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.963 -6.972 -14.875 1.00 0.00 H new ATOM 0 HG3 LYS A 57 5.575 -6.850 -13.813 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.767 -7.943 -11.984 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.087 -8.409 -13.039 1.00 0.00 H new ATOM 0 HE2 LYS A 57 7.517 -5.467 -13.029 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.083 -6.096 -11.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 9.840 -5.513 -13.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 10.002 -7.006 -12.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 9.357 -6.943 -14.048 1.00 0.00 H new ATOM 926 N ALA A 58 2.313 -8.498 -13.921 1.00 0.00 N ATOM 927 CA ALA A 58 1.196 -7.589 -14.284 1.00 0.00 C ATOM 928 C ALA A 58 1.554 -6.139 -13.938 1.00 0.00 C ATOM 929 O ALA A 58 2.560 -5.871 -13.311 1.00 0.00 O ATOM 930 CB ALA A 58 0.031 -8.080 -13.431 1.00 0.00 C ATOM 0 H ALA A 58 2.037 -9.334 -13.406 1.00 0.00 H new ATOM 0 HA ALA A 58 0.966 -7.601 -15.349 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.848 -7.467 -13.629 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.188 -9.119 -13.677 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.296 -8.005 -12.376 1.00 0.00 H new ATOM 936 N ASN A 59 0.740 -5.203 -14.343 1.00 0.00 N ATOM 937 CA ASN A 59 1.036 -3.772 -14.039 1.00 0.00 C ATOM 938 C ASN A 59 0.955 -3.520 -12.530 1.00 0.00 C ATOM 939 O ASN A 59 1.101 -4.423 -11.730 1.00 0.00 O ATOM 940 CB ASN A 59 -0.046 -2.981 -14.773 1.00 0.00 C ATOM 941 CG ASN A 59 -0.156 -3.480 -16.215 1.00 0.00 C ATOM 942 OD1 ASN A 59 0.674 -3.165 -17.045 1.00 0.00 O ATOM 943 ND2 ASN A 59 -1.154 -4.251 -16.550 1.00 0.00 N ATOM 0 H ASN A 59 -0.117 -5.366 -14.871 1.00 0.00 H new ATOM 0 HA ASN A 59 2.039 -3.483 -14.354 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.003 -3.095 -14.264 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.196 -1.918 -14.763 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -1.238 -4.589 -17.509 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -1.850 -4.515 -15.853 1.00 0.00 H new ATOM 950 N PHE A 60 0.724 -2.296 -12.136 1.00 0.00 N ATOM 951 CA PHE A 60 0.635 -1.985 -10.679 1.00 0.00 C ATOM 952 C PHE A 60 0.207 -0.530 -10.472 1.00 0.00 C ATOM 953 O PHE A 60 -0.473 -0.202 -9.520 1.00 0.00 O ATOM 954 CB PHE A 60 2.050 -2.211 -10.141 1.00 0.00 C ATOM 955 CG PHE A 60 2.069 -1.985 -8.646 1.00 0.00 C ATOM 956 CD1 PHE A 60 1.850 -0.702 -8.127 1.00 0.00 C ATOM 957 CD2 PHE A 60 2.307 -3.059 -7.779 1.00 0.00 C ATOM 958 CE1 PHE A 60 1.867 -0.495 -6.743 1.00 0.00 C ATOM 959 CE2 PHE A 60 2.324 -2.850 -6.394 1.00 0.00 C ATOM 960 CZ PHE A 60 2.104 -1.569 -5.877 1.00 0.00 C ATOM 0 H PHE A 60 0.593 -1.499 -12.759 1.00 0.00 H new ATOM 0 HA PHE A 60 -0.101 -2.606 -10.168 1.00 0.00 H new ATOM 0 HB2 PHE A 60 2.379 -3.225 -10.369 1.00 0.00 H new ATOM 0 HB3 PHE A 60 2.748 -1.532 -10.630 1.00 0.00 H new ATOM 0 HD1 PHE A 60 1.668 0.127 -8.795 1.00 0.00 H new ATOM 0 HD2 PHE A 60 2.477 -4.048 -8.178 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.697 0.494 -6.343 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.507 -3.678 -5.725 1.00 0.00 H new ATOM 0 HZ PHE A 60 2.117 -1.408 -4.809 1.00 0.00 H new ATOM 970 N GLU A 61 0.606 0.347 -11.351 1.00 0.00 N ATOM 971 CA GLU A 61 0.230 1.783 -11.202 1.00 0.00 C ATOM 972 C GLU A 61 -1.274 1.973 -11.423 1.00 0.00 C ATOM 973 O GLU A 61 -2.025 2.155 -10.486 1.00 0.00 O ATOM 974 CB GLU A 61 1.030 2.511 -12.282 1.00 0.00 C ATOM 975 CG GLU A 61 2.522 2.243 -12.081 1.00 0.00 C ATOM 976 CD GLU A 61 3.302 2.777 -13.283 1.00 0.00 C ATOM 977 OE1 GLU A 61 2.673 3.082 -14.284 1.00 0.00 O ATOM 978 OE2 GLU A 61 4.514 2.873 -13.183 1.00 0.00 O ATOM 0 H GLU A 61 1.177 0.132 -12.168 1.00 0.00 H new ATOM 0 HA GLU A 61 0.447 2.163 -10.204 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.719 2.172 -13.270 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.833 3.582 -12.236 1.00 0.00 H new ATOM 0 HG2 GLU A 61 2.869 2.724 -11.166 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.698 1.174 -11.966 1.00 0.00 H new ATOM 985 N GLU A 62 -1.716 1.936 -12.654 1.00 0.00 N ATOM 986 CA GLU A 62 -3.171 2.116 -12.937 1.00 0.00 C ATOM 987 C GLU A 62 -4.005 1.385 -11.884 1.00 0.00 C ATOM 988 O GLU A 62 -4.939 1.931 -11.329 1.00 0.00 O ATOM 989 CB GLU A 62 -3.384 1.494 -14.316 1.00 0.00 C ATOM 990 CG GLU A 62 -4.491 2.247 -15.054 1.00 0.00 C ATOM 991 CD GLU A 62 -3.987 2.674 -16.433 1.00 0.00 C ATOM 992 OE1 GLU A 62 -2.992 2.123 -16.875 1.00 0.00 O ATOM 993 OE2 GLU A 62 -4.603 3.546 -17.024 1.00 0.00 O ATOM 0 H GLU A 62 -1.131 1.789 -13.476 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.473 3.163 -12.911 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.458 1.533 -14.890 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.652 0.442 -14.214 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.371 1.612 -15.157 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.795 3.122 -14.480 1.00 0.00 H new ATOM 1000 N VAL A 63 -3.668 0.158 -11.596 1.00 0.00 N ATOM 1001 CA VAL A 63 -4.436 -0.598 -10.570 1.00 0.00 C ATOM 1002 C VAL A 63 -4.500 0.214 -9.279 1.00 0.00 C ATOM 1003 O VAL A 63 -5.535 0.332 -8.655 1.00 0.00 O ATOM 1004 CB VAL A 63 -3.648 -1.890 -10.350 1.00 0.00 C ATOM 1005 CG1 VAL A 63 -4.396 -2.782 -9.359 1.00 0.00 C ATOM 1006 CG2 VAL A 63 -3.496 -2.628 -11.680 1.00 0.00 C ATOM 0 H VAL A 63 -2.896 -0.352 -12.026 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.461 -0.800 -10.881 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.662 -1.649 -9.952 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -3.834 -3.703 -9.202 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -4.506 -2.258 -8.409 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -5.382 -3.022 -9.758 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.934 -3.549 -11.523 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.482 -2.868 -12.078 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -2.963 -1.994 -12.389 1.00 0.00 H new ATOM 1016 N ALA A 64 -3.397 0.780 -8.880 1.00 0.00 N ATOM 1017 CA ALA A 64 -3.378 1.592 -7.631 1.00 0.00 C ATOM 1018 C ALA A 64 -4.263 2.829 -7.790 1.00 0.00 C ATOM 1019 O ALA A 64 -5.122 3.100 -6.974 1.00 0.00 O ATOM 1020 CB ALA A 64 -1.917 2.005 -7.455 1.00 0.00 C ATOM 0 H ALA A 64 -2.503 0.715 -9.367 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.756 1.038 -6.772 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.816 2.609 -6.553 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.295 1.114 -7.367 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.597 2.587 -8.319 1.00 0.00 H new ATOM 1026 N THR A 65 -4.052 3.582 -8.836 1.00 0.00 N ATOM 1027 CA THR A 65 -4.871 4.809 -9.063 1.00 0.00 C ATOM 1028 C THR A 65 -6.336 4.553 -8.697 1.00 0.00 C ATOM 1029 O THR A 65 -7.028 5.430 -8.221 1.00 0.00 O ATOM 1030 CB THR A 65 -4.733 5.105 -10.558 1.00 0.00 C ATOM 1031 OG1 THR A 65 -3.942 4.098 -11.175 1.00 0.00 O ATOM 1032 CG2 THR A 65 -4.067 6.468 -10.747 1.00 0.00 C ATOM 0 H THR A 65 -3.344 3.399 -9.547 1.00 0.00 H new ATOM 0 HA THR A 65 -4.537 5.645 -8.448 1.00 0.00 H new ATOM 0 HB THR A 65 -5.721 5.116 -11.017 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.518 3.510 -11.707 1.00 0.00 H new ATOM 0 HG21 THR A 65 -3.968 6.680 -11.812 1.00 0.00 H new ATOM 0 HG22 THR A 65 -4.678 7.240 -10.279 1.00 0.00 H new ATOM 0 HG23 THR A 65 -3.079 6.457 -10.286 1.00 0.00 H new ATOM 1040 N ARG A 66 -6.813 3.358 -8.913 1.00 0.00 N ATOM 1041 CA ARG A 66 -8.234 3.052 -8.575 1.00 0.00 C ATOM 1042 C ARG A 66 -8.335 2.513 -7.146 1.00 0.00 C ATOM 1043 O ARG A 66 -9.044 3.047 -6.316 1.00 0.00 O ATOM 1044 CB ARG A 66 -8.659 1.983 -9.582 1.00 0.00 C ATOM 1045 CG ARG A 66 -9.963 1.333 -9.116 1.00 0.00 C ATOM 1046 CD ARG A 66 -10.837 1.012 -10.330 1.00 0.00 C ATOM 1047 NE ARG A 66 -12.031 1.889 -10.187 1.00 0.00 N ATOM 1048 CZ ARG A 66 -12.054 3.059 -10.763 1.00 0.00 C ATOM 1049 NH1 ARG A 66 -11.445 4.072 -10.210 1.00 0.00 N ATOM 1050 NH2 ARG A 66 -12.685 3.217 -11.894 1.00 0.00 N ATOM 0 H ARG A 66 -6.283 2.581 -9.308 1.00 0.00 H new ATOM 0 HA ARG A 66 -8.869 3.936 -8.626 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.795 2.430 -10.567 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.878 1.228 -9.679 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -9.748 0.421 -8.558 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -10.494 2.003 -8.440 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -10.308 1.214 -11.262 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -11.120 -0.041 -10.346 1.00 0.00 H new ATOM 0 HE ARG A 66 -12.832 1.575 -9.638 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -10.950 3.949 -9.326 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -11.464 4.987 -10.661 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -13.160 2.426 -12.328 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -12.703 4.132 -12.344 1.00 0.00 H new ATOM 1064 N VAL A 67 -7.627 1.459 -6.860 1.00 0.00 N ATOM 1065 CA VAL A 67 -7.662 0.870 -5.491 1.00 0.00 C ATOM 1066 C VAL A 67 -6.488 1.404 -4.670 1.00 0.00 C ATOM 1067 O VAL A 67 -5.572 0.682 -4.330 1.00 0.00 O ATOM 1068 CB VAL A 67 -7.532 -0.638 -5.711 1.00 0.00 C ATOM 1069 CG1 VAL A 67 -6.298 -0.928 -6.566 1.00 0.00 C ATOM 1070 CG2 VAL A 67 -7.387 -1.343 -4.361 1.00 0.00 C ATOM 0 H VAL A 67 -7.019 0.975 -7.521 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.572 1.121 -4.946 1.00 0.00 H new ATOM 0 HB VAL A 67 -8.423 -1.004 -6.221 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.207 -2.003 -6.721 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -6.398 -0.429 -7.530 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -5.408 -0.559 -6.057 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.295 -2.417 -4.520 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.497 -0.974 -3.851 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.266 -1.141 -3.749 1.00 0.00 H new ATOM 1080 N SER A 68 -6.499 2.672 -4.373 1.00 0.00 N ATOM 1081 CA SER A 68 -5.373 3.271 -3.595 1.00 0.00 C ATOM 1082 C SER A 68 -5.891 4.130 -2.435 1.00 0.00 C ATOM 1083 O SER A 68 -7.080 4.296 -2.249 1.00 0.00 O ATOM 1084 CB SER A 68 -4.660 4.155 -4.609 1.00 0.00 C ATOM 1085 OG SER A 68 -5.638 4.790 -5.416 1.00 0.00 O ATOM 0 H SER A 68 -7.239 3.323 -4.634 1.00 0.00 H new ATOM 0 HA SER A 68 -4.731 2.509 -3.152 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.048 4.899 -4.099 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.988 3.558 -5.226 1.00 0.00 H new ATOM 0 HG SER A 68 -5.907 4.187 -6.140 1.00 0.00 H new ATOM 1091 N ASP A 69 -4.994 4.687 -1.662 1.00 0.00 N ATOM 1092 CA ASP A 69 -5.410 5.553 -0.518 1.00 0.00 C ATOM 1093 C ASP A 69 -5.887 6.909 -1.030 1.00 0.00 C ATOM 1094 O ASP A 69 -5.240 7.916 -0.840 1.00 0.00 O ATOM 1095 CB ASP A 69 -4.152 5.712 0.338 1.00 0.00 C ATOM 1096 CG ASP A 69 -4.523 6.351 1.678 1.00 0.00 C ATOM 1097 OD1 ASP A 69 -5.476 5.893 2.286 1.00 0.00 O ATOM 1098 OD2 ASP A 69 -3.847 7.286 2.073 1.00 0.00 O ATOM 0 H ASP A 69 -3.986 4.578 -1.775 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.235 5.121 0.049 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -3.687 4.740 0.503 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -3.421 6.331 -0.182 1.00 0.00 H new ATOM 1103 N CYS A 70 -7.021 6.932 -1.676 1.00 0.00 N ATOM 1104 CA CYS A 70 -7.563 8.214 -2.212 1.00 0.00 C ATOM 1105 C CYS A 70 -6.433 9.065 -2.803 1.00 0.00 C ATOM 1106 O CYS A 70 -6.088 8.939 -3.966 1.00 0.00 O ATOM 1107 CB CYS A 70 -8.197 8.914 -1.008 1.00 0.00 C ATOM 1108 SG CYS A 70 -8.616 10.618 -1.451 1.00 0.00 S ATOM 0 H CYS A 70 -7.600 6.112 -1.857 1.00 0.00 H new ATOM 0 HA CYS A 70 -8.285 8.053 -3.013 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -9.092 8.378 -0.693 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -7.507 8.906 -0.164 1.00 0.00 H new ATOM 0 HG CYS A 70 -9.157 11.212 -0.429 1.00 0.00 H new ATOM 1114 N SER A 71 -5.836 9.915 -2.011 1.00 0.00 N ATOM 1115 CA SER A 71 -4.713 10.739 -2.529 1.00 0.00 C ATOM 1116 C SER A 71 -3.787 9.831 -3.323 1.00 0.00 C ATOM 1117 O SER A 71 -3.367 10.142 -4.419 1.00 0.00 O ATOM 1118 CB SER A 71 -4.014 11.258 -1.281 1.00 0.00 C ATOM 1119 OG SER A 71 -2.998 12.179 -1.656 1.00 0.00 O ATOM 0 H SER A 71 -6.078 10.072 -1.033 1.00 0.00 H new ATOM 0 HA SER A 71 -5.028 11.555 -3.180 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.735 11.743 -0.623 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.580 10.429 -0.723 1.00 0.00 H new ATOM 0 HG SER A 71 -2.548 12.515 -0.853 1.00 0.00 H new ATOM 1125 N SER A 72 -3.497 8.690 -2.772 1.00 0.00 N ATOM 1126 CA SER A 72 -2.626 7.719 -3.484 1.00 0.00 C ATOM 1127 C SER A 72 -3.225 7.428 -4.857 1.00 0.00 C ATOM 1128 O SER A 72 -2.519 7.241 -5.813 1.00 0.00 O ATOM 1129 CB SER A 72 -2.618 6.467 -2.610 1.00 0.00 C ATOM 1130 OG SER A 72 -1.701 6.645 -1.539 1.00 0.00 O ATOM 0 H SER A 72 -3.827 8.386 -1.856 1.00 0.00 H new ATOM 0 HA SER A 72 -1.614 8.091 -3.642 1.00 0.00 H new ATOM 0 HB2 SER A 72 -3.618 6.276 -2.220 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.336 5.597 -3.204 1.00 0.00 H new ATOM 0 HG SER A 72 -0.836 6.252 -1.780 1.00 0.00 H new ATOM 1136 N ALA A 73 -4.518 7.429 -4.988 1.00 0.00 N ATOM 1137 CA ALA A 73 -5.092 7.196 -6.342 1.00 0.00 C ATOM 1138 C ALA A 73 -4.413 8.174 -7.293 1.00 0.00 C ATOM 1139 O ALA A 73 -4.098 7.855 -8.422 1.00 0.00 O ATOM 1140 CB ALA A 73 -6.589 7.484 -6.218 1.00 0.00 C ATOM 0 H ALA A 73 -5.192 7.577 -4.237 1.00 0.00 H new ATOM 0 HA ALA A 73 -4.941 6.184 -6.718 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.070 7.330 -7.184 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -7.029 6.811 -5.482 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.736 8.516 -5.900 1.00 0.00 H new ATOM 1146 N LYS A 74 -4.141 9.356 -6.811 1.00 0.00 N ATOM 1147 CA LYS A 74 -3.426 10.362 -7.649 1.00 0.00 C ATOM 1148 C LYS A 74 -1.976 9.888 -7.823 1.00 0.00 C ATOM 1149 O LYS A 74 -1.321 10.163 -8.809 1.00 0.00 O ATOM 1150 CB LYS A 74 -3.492 11.658 -6.837 1.00 0.00 C ATOM 1151 CG LYS A 74 -2.920 12.816 -7.656 1.00 0.00 C ATOM 1152 CD LYS A 74 -3.757 14.074 -7.409 1.00 0.00 C ATOM 1153 CE LYS A 74 -3.209 15.230 -8.250 1.00 0.00 C ATOM 1154 NZ LYS A 74 -3.675 14.952 -9.637 1.00 0.00 N ATOM 0 H LYS A 74 -4.383 9.670 -5.871 1.00 0.00 H new ATOM 0 HA LYS A 74 -3.854 10.500 -8.642 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.524 11.872 -6.561 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -2.931 11.545 -5.910 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -1.882 12.996 -7.377 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -2.926 12.564 -8.716 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -4.799 13.886 -7.667 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -3.733 14.337 -6.352 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -3.583 16.190 -7.893 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -2.121 15.273 -8.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -2.854 14.884 -10.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -4.200 14.055 -9.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -4.296 15.723 -9.955 1.00 0.00 H new ATOM 1168 N ARG A 75 -1.498 9.155 -6.854 1.00 0.00 N ATOM 1169 CA ARG A 75 -0.111 8.600 -6.889 1.00 0.00 C ATOM 1170 C ARG A 75 -0.181 7.075 -6.727 1.00 0.00 C ATOM 1171 O ARG A 75 0.479 6.499 -5.885 1.00 0.00 O ATOM 1172 CB ARG A 75 0.575 9.220 -5.671 1.00 0.00 C ATOM 1173 CG ARG A 75 1.058 10.626 -6.011 1.00 0.00 C ATOM 1174 CD ARG A 75 0.266 11.652 -5.198 1.00 0.00 C ATOM 1175 NE ARG A 75 1.205 12.789 -4.996 1.00 0.00 N ATOM 1176 CZ ARG A 75 1.102 13.538 -3.933 1.00 0.00 C ATOM 1177 NH1 ARG A 75 1.561 13.111 -2.788 1.00 0.00 N ATOM 1178 NH2 ARG A 75 0.538 14.711 -4.014 1.00 0.00 N ATOM 0 H ARG A 75 -2.025 8.910 -6.016 1.00 0.00 H new ATOM 0 HA ARG A 75 0.416 8.817 -7.818 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.119 9.257 -4.831 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.417 8.601 -5.362 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.122 10.718 -5.794 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.933 10.817 -7.077 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -0.631 11.970 -5.730 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.060 11.235 -4.245 1.00 0.00 H new ATOM 0 HE ARG A 75 1.929 12.982 -5.688 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.000 12.192 -2.725 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.481 13.696 -1.956 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.177 15.043 -4.909 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.457 15.297 -3.183 1.00 0.00 H new ATOM 1192 N GLY A 76 -1.013 6.426 -7.500 1.00 0.00 N ATOM 1193 CA GLY A 76 -1.177 4.949 -7.366 1.00 0.00 C ATOM 1194 C GLY A 76 0.104 4.240 -7.767 1.00 0.00 C ATOM 1195 O GLY A 76 0.383 3.141 -7.329 1.00 0.00 O ATOM 0 H GLY A 76 -1.589 6.859 -8.222 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -1.434 4.696 -6.337 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -2.001 4.609 -7.993 1.00 0.00 H new ATOM 1199 N GLY A 77 0.890 4.853 -8.593 1.00 0.00 N ATOM 1200 CA GLY A 77 2.152 4.200 -9.014 1.00 0.00 C ATOM 1201 C GLY A 77 2.976 3.869 -7.773 1.00 0.00 C ATOM 1202 O GLY A 77 2.741 2.887 -7.084 1.00 0.00 O ATOM 0 H GLY A 77 0.716 5.774 -8.995 1.00 0.00 H new ATOM 0 HA2 GLY A 77 1.937 3.292 -9.577 1.00 0.00 H new ATOM 0 HA3 GLY A 77 2.715 4.859 -9.675 1.00 0.00 H new ATOM 1206 N ASP A 78 3.939 4.684 -7.475 1.00 0.00 N ATOM 1207 CA ASP A 78 4.780 4.417 -6.281 1.00 0.00 C ATOM 1208 C ASP A 78 5.174 5.724 -5.597 1.00 0.00 C ATOM 1209 O ASP A 78 4.708 6.790 -5.946 1.00 0.00 O ATOM 1210 CB ASP A 78 6.016 3.705 -6.831 1.00 0.00 C ATOM 1211 CG ASP A 78 6.708 4.603 -7.857 1.00 0.00 C ATOM 1212 OD1 ASP A 78 7.354 5.551 -7.444 1.00 0.00 O ATOM 1213 OD2 ASP A 78 6.581 4.327 -9.039 1.00 0.00 O ATOM 0 H ASP A 78 4.182 5.522 -8.003 1.00 0.00 H new ATOM 0 HA ASP A 78 4.257 3.821 -5.533 1.00 0.00 H new ATOM 0 HB2 ASP A 78 6.703 3.467 -6.019 1.00 0.00 H new ATOM 0 HB3 ASP A 78 5.729 2.761 -7.293 1.00 0.00 H new ATOM 1218 N LEU A 79 6.038 5.643 -4.627 1.00 0.00 N ATOM 1219 CA LEU A 79 6.481 6.869 -3.911 1.00 0.00 C ATOM 1220 C LEU A 79 7.724 7.427 -4.598 1.00 0.00 C ATOM 1221 O LEU A 79 7.735 8.531 -5.106 1.00 0.00 O ATOM 1222 CB LEU A 79 6.824 6.392 -2.496 1.00 0.00 C ATOM 1223 CG LEU A 79 5.541 6.059 -1.732 1.00 0.00 C ATOM 1224 CD1 LEU A 79 4.821 4.892 -2.412 1.00 0.00 C ATOM 1225 CD2 LEU A 79 5.893 5.666 -0.297 1.00 0.00 C ATOM 0 H LEU A 79 6.459 4.775 -4.297 1.00 0.00 H new ATOM 0 HA LEU A 79 5.725 7.655 -3.903 1.00 0.00 H new ATOM 0 HB2 LEU A 79 7.467 5.513 -2.545 1.00 0.00 H new ATOM 0 HB3 LEU A 79 7.382 7.165 -1.968 1.00 0.00 H new ATOM 0 HG LEU A 79 4.889 6.933 -1.726 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.908 4.659 -1.864 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.569 5.167 -3.436 1.00 0.00 H new ATOM 0 HD13 LEU A 79 5.472 4.018 -2.421 1.00 0.00 H new ATOM 0 HD21 LEU A 79 4.980 5.428 0.249 1.00 0.00 H new ATOM 0 HD22 LEU A 79 6.547 4.794 -0.309 1.00 0.00 H new ATOM 0 HD23 LEU A 79 6.403 6.495 0.193 1.00 0.00 H new ATOM 1237 N GLY A 80 8.770 6.656 -4.609 1.00 0.00 N ATOM 1238 CA GLY A 80 10.035 7.092 -5.250 1.00 0.00 C ATOM 1239 C GLY A 80 11.185 6.754 -4.316 1.00 0.00 C ATOM 1240 O GLY A 80 11.777 5.698 -4.403 1.00 0.00 O ATOM 0 H GLY A 80 8.802 5.725 -4.193 1.00 0.00 H new ATOM 0 HA2 GLY A 80 10.166 6.592 -6.210 1.00 0.00 H new ATOM 0 HA3 GLY A 80 10.010 8.163 -5.449 1.00 0.00 H new ATOM 1244 N SER A 81 11.492 7.639 -3.413 1.00 0.00 N ATOM 1245 CA SER A 81 12.603 7.377 -2.459 1.00 0.00 C ATOM 1246 C SER A 81 12.379 8.125 -1.144 1.00 0.00 C ATOM 1247 O SER A 81 12.255 9.333 -1.116 1.00 0.00 O ATOM 1248 CB SER A 81 13.848 7.898 -3.161 1.00 0.00 C ATOM 1249 OG SER A 81 14.085 9.244 -2.769 1.00 0.00 O ATOM 0 H SER A 81 11.020 8.535 -3.294 1.00 0.00 H new ATOM 0 HA SER A 81 12.682 6.320 -2.204 1.00 0.00 H new ATOM 0 HB2 SER A 81 14.708 7.278 -2.908 1.00 0.00 H new ATOM 0 HB3 SER A 81 13.720 7.840 -4.242 1.00 0.00 H new ATOM 0 HG SER A 81 15.050 9.399 -2.700 1.00 0.00 H new ATOM 1255 N PHE A 82 12.334 7.412 -0.054 1.00 0.00 N ATOM 1256 CA PHE A 82 12.127 8.070 1.267 1.00 0.00 C ATOM 1257 C PHE A 82 12.788 7.227 2.364 1.00 0.00 C ATOM 1258 O PHE A 82 13.764 6.545 2.121 1.00 0.00 O ATOM 1259 CB PHE A 82 10.607 8.145 1.450 1.00 0.00 C ATOM 1260 CG PHE A 82 9.978 6.796 1.195 1.00 0.00 C ATOM 1261 CD1 PHE A 82 9.945 6.266 -0.101 1.00 0.00 C ATOM 1262 CD2 PHE A 82 9.416 6.078 2.257 1.00 0.00 C ATOM 1263 CE1 PHE A 82 9.351 5.022 -0.335 1.00 0.00 C ATOM 1264 CE2 PHE A 82 8.823 4.833 2.023 1.00 0.00 C ATOM 1265 CZ PHE A 82 8.790 4.305 0.727 1.00 0.00 C ATOM 0 H PHE A 82 12.432 6.397 -0.020 1.00 0.00 H new ATOM 0 HA PHE A 82 12.572 9.064 1.321 1.00 0.00 H new ATOM 0 HB2 PHE A 82 10.372 8.477 2.461 1.00 0.00 H new ATOM 0 HB3 PHE A 82 10.188 8.884 0.766 1.00 0.00 H new ATOM 0 HD1 PHE A 82 10.379 6.819 -0.921 1.00 0.00 H new ATOM 0 HD2 PHE A 82 9.440 6.485 3.257 1.00 0.00 H new ATOM 0 HE1 PHE A 82 9.325 4.615 -1.335 1.00 0.00 H new ATOM 0 HE2 PHE A 82 8.390 4.279 2.843 1.00 0.00 H new ATOM 0 HZ PHE A 82 8.331 3.344 0.547 1.00 0.00 H new ATOM 1275 N GLY A 83 12.282 7.267 3.565 1.00 0.00 N ATOM 1276 CA GLY A 83 12.906 6.463 4.654 1.00 0.00 C ATOM 1277 C GLY A 83 13.061 7.331 5.899 1.00 0.00 C ATOM 1278 O GLY A 83 12.395 7.132 6.896 1.00 0.00 O ATOM 0 H GLY A 83 11.468 7.818 3.839 1.00 0.00 H new ATOM 0 HA2 GLY A 83 12.289 5.593 4.878 1.00 0.00 H new ATOM 0 HA3 GLY A 83 13.879 6.090 4.334 1.00 0.00 H new ATOM 1282 N ARG A 84 13.930 8.300 5.848 1.00 0.00 N ATOM 1283 CA ARG A 84 14.120 9.190 7.028 1.00 0.00 C ATOM 1284 C ARG A 84 12.869 10.049 7.218 1.00 0.00 C ATOM 1285 O ARG A 84 12.916 11.262 7.165 1.00 0.00 O ATOM 1286 CB ARG A 84 15.334 10.062 6.689 1.00 0.00 C ATOM 1287 CG ARG A 84 16.452 9.197 6.093 1.00 0.00 C ATOM 1288 CD ARG A 84 16.595 7.899 6.896 1.00 0.00 C ATOM 1289 NE ARG A 84 16.835 8.336 8.300 1.00 0.00 N ATOM 1290 CZ ARG A 84 18.006 8.151 8.849 1.00 0.00 C ATOM 1291 NH1 ARG A 84 19.038 8.828 8.427 1.00 0.00 N ATOM 1292 NH2 ARG A 84 18.143 7.289 9.820 1.00 0.00 N ATOM 0 H ARG A 84 14.517 8.515 5.042 1.00 0.00 H new ATOM 0 HA ARG A 84 14.280 8.635 7.953 1.00 0.00 H new ATOM 0 HB2 ARG A 84 15.047 10.839 5.980 1.00 0.00 H new ATOM 0 HB3 ARG A 84 15.692 10.566 7.587 1.00 0.00 H new ATOM 0 HG2 ARG A 84 16.229 8.967 5.051 1.00 0.00 H new ATOM 0 HG3 ARG A 84 17.393 9.747 6.104 1.00 0.00 H new ATOM 0 HD2 ARG A 84 15.695 7.288 6.822 1.00 0.00 H new ATOM 0 HD3 ARG A 84 17.422 7.295 6.524 1.00 0.00 H new ATOM 0 HE ARG A 84 16.086 8.779 8.832 1.00 0.00 H new ATOM 0 HH11 ARG A 84 18.931 9.502 7.669 1.00 0.00 H new ATOM 0 HH12 ARG A 84 19.952 8.684 8.855 1.00 0.00 H new ATOM 0 HH21 ARG A 84 17.336 6.760 10.150 1.00 0.00 H new ATOM 0 HH22 ARG A 84 19.057 7.145 10.249 1.00 0.00 H new ATOM 1306 N GLY A 85 11.745 9.420 7.426 1.00 0.00 N ATOM 1307 CA GLY A 85 10.478 10.180 7.606 1.00 0.00 C ATOM 1308 C GLY A 85 9.428 9.630 6.639 1.00 0.00 C ATOM 1309 O GLY A 85 9.666 8.673 5.928 1.00 0.00 O ATOM 0 H GLY A 85 11.650 8.406 7.479 1.00 0.00 H new ATOM 0 HA2 GLY A 85 10.127 10.090 8.634 1.00 0.00 H new ATOM 0 HA3 GLY A 85 10.645 11.241 7.418 1.00 0.00 H new ATOM 1313 N GLN A 86 8.268 10.223 6.603 1.00 0.00 N ATOM 1314 CA GLN A 86 7.205 9.731 5.678 1.00 0.00 C ATOM 1315 C GLN A 86 6.773 8.327 6.069 1.00 0.00 C ATOM 1316 O GLN A 86 7.406 7.666 6.868 1.00 0.00 O ATOM 1317 CB GLN A 86 7.838 9.664 4.286 1.00 0.00 C ATOM 1318 CG GLN A 86 8.710 10.883 4.026 1.00 0.00 C ATOM 1319 CD GLN A 86 8.039 11.777 2.983 1.00 0.00 C ATOM 1320 OE1 GLN A 86 7.058 12.434 3.271 1.00 0.00 O ATOM 1321 NE2 GLN A 86 8.527 11.828 1.774 1.00 0.00 N ATOM 0 H GLN A 86 8.008 11.028 7.174 1.00 0.00 H new ATOM 0 HA GLN A 86 6.337 10.389 5.711 1.00 0.00 H new ATOM 0 HB2 GLN A 86 8.437 8.758 4.198 1.00 0.00 H new ATOM 0 HB3 GLN A 86 7.056 9.603 3.529 1.00 0.00 H new ATOM 0 HG2 GLN A 86 8.863 11.438 4.952 1.00 0.00 H new ATOM 0 HG3 GLN A 86 9.694 10.571 3.675 1.00 0.00 H new ATOM 0 HE21 GLN A 86 9.350 11.276 1.533 1.00 0.00 H new ATOM 0 HE22 GLN A 86 8.085 12.419 1.070 1.00 0.00 H new ATOM 1330 N MET A 87 5.719 7.855 5.471 1.00 0.00 N ATOM 1331 CA MET A 87 5.254 6.473 5.754 1.00 0.00 C ATOM 1332 C MET A 87 5.398 6.126 7.240 1.00 0.00 C ATOM 1333 O MET A 87 5.534 4.974 7.598 1.00 0.00 O ATOM 1334 CB MET A 87 6.188 5.614 4.906 1.00 0.00 C ATOM 1335 CG MET A 87 5.513 5.305 3.569 1.00 0.00 C ATOM 1336 SD MET A 87 5.101 6.860 2.738 1.00 0.00 S ATOM 1337 CE MET A 87 6.799 7.393 2.406 1.00 0.00 C ATOM 0 H MET A 87 5.156 8.370 4.794 1.00 0.00 H new ATOM 0 HA MET A 87 4.199 6.327 5.523 1.00 0.00 H new ATOM 0 HB2 MET A 87 7.130 6.136 4.739 1.00 0.00 H new ATOM 0 HB3 MET A 87 6.425 4.688 5.430 1.00 0.00 H new ATOM 0 HG2 MET A 87 6.176 4.708 2.942 1.00 0.00 H new ATOM 0 HG3 MET A 87 4.611 4.715 3.731 1.00 0.00 H new ATOM 0 HE1 MET A 87 6.797 8.435 2.085 1.00 0.00 H new ATOM 0 HE2 MET A 87 7.395 7.293 3.313 1.00 0.00 H new ATOM 0 HE3 MET A 87 7.228 6.772 1.620 1.00 0.00 H new ATOM 1347 N GLN A 88 5.365 7.110 8.101 1.00 0.00 N ATOM 1348 CA GLN A 88 5.499 6.836 9.564 1.00 0.00 C ATOM 1349 C GLN A 88 6.517 5.708 9.808 1.00 0.00 C ATOM 1350 O GLN A 88 7.432 5.515 9.031 1.00 0.00 O ATOM 1351 CB GLN A 88 4.090 6.441 10.017 1.00 0.00 C ATOM 1352 CG GLN A 88 3.475 7.586 10.822 1.00 0.00 C ATOM 1353 CD GLN A 88 4.324 7.846 12.068 1.00 0.00 C ATOM 1354 OE1 GLN A 88 5.158 8.730 12.075 1.00 0.00 O ATOM 1355 NE2 GLN A 88 4.145 7.108 13.129 1.00 0.00 N ATOM 0 H GLN A 88 5.251 8.093 7.854 1.00 0.00 H new ATOM 0 HA GLN A 88 5.869 7.696 10.123 1.00 0.00 H new ATOM 0 HB2 GLN A 88 3.468 6.216 9.151 1.00 0.00 H new ATOM 0 HB3 GLN A 88 4.131 5.537 10.624 1.00 0.00 H new ATOM 0 HG2 GLN A 88 3.421 8.487 10.211 1.00 0.00 H new ATOM 0 HG3 GLN A 88 2.454 7.335 11.110 1.00 0.00 H new ATOM 0 HE21 GLN A 88 3.445 6.366 13.122 1.00 0.00 H new ATOM 0 HE22 GLN A 88 4.705 7.273 13.965 1.00 0.00 H new ATOM 1364 N LYS A 89 6.384 4.975 10.883 1.00 0.00 N ATOM 1365 CA LYS A 89 7.365 3.883 11.170 1.00 0.00 C ATOM 1366 C LYS A 89 6.902 2.483 10.688 1.00 0.00 C ATOM 1367 O LYS A 89 7.722 1.589 10.593 1.00 0.00 O ATOM 1368 CB LYS A 89 7.505 3.891 12.692 1.00 0.00 C ATOM 1369 CG LYS A 89 8.905 4.373 13.074 1.00 0.00 C ATOM 1370 CD LYS A 89 8.793 5.579 14.009 1.00 0.00 C ATOM 1371 CE LYS A 89 10.131 6.320 14.051 1.00 0.00 C ATOM 1372 NZ LYS A 89 10.993 5.504 14.949 1.00 0.00 N ATOM 0 H LYS A 89 5.641 5.084 11.573 1.00 0.00 H new ATOM 0 HA LYS A 89 8.298 4.064 10.637 1.00 0.00 H new ATOM 0 HB2 LYS A 89 6.751 4.543 13.134 1.00 0.00 H new ATOM 0 HB3 LYS A 89 7.333 2.891 13.089 1.00 0.00 H new ATOM 0 HG2 LYS A 89 9.456 3.570 13.563 1.00 0.00 H new ATOM 0 HG3 LYS A 89 9.464 4.644 12.179 1.00 0.00 H new ATOM 0 HD2 LYS A 89 8.005 6.248 13.663 1.00 0.00 H new ATOM 0 HD3 LYS A 89 8.515 5.251 15.011 1.00 0.00 H new ATOM 0 HE2 LYS A 89 10.567 6.405 13.056 1.00 0.00 H new ATOM 0 HE3 LYS A 89 10.010 7.333 14.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 11.401 6.113 15.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 10.422 4.757 15.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 11.759 5.070 14.395 1.00 0.00 H new ATOM 1386 N PRO A 90 5.625 2.301 10.413 1.00 0.00 N ATOM 1387 CA PRO A 90 5.150 0.965 9.977 1.00 0.00 C ATOM 1388 C PRO A 90 5.559 0.683 8.528 1.00 0.00 C ATOM 1389 O PRO A 90 6.401 -0.154 8.267 1.00 0.00 O ATOM 1390 CB PRO A 90 3.634 1.053 10.112 1.00 0.00 C ATOM 1391 CG PRO A 90 3.313 2.508 10.007 1.00 0.00 C ATOM 1392 CD PRO A 90 4.529 3.275 10.467 1.00 0.00 C ATOM 0 HA PRO A 90 5.577 0.154 10.567 1.00 0.00 H new ATOM 0 HB2 PRO A 90 3.136 0.483 9.328 1.00 0.00 H new ATOM 0 HB3 PRO A 90 3.300 0.644 11.065 1.00 0.00 H new ATOM 0 HG2 PRO A 90 3.059 2.772 8.980 1.00 0.00 H new ATOM 0 HG3 PRO A 90 2.448 2.755 10.623 1.00 0.00 H new ATOM 0 HD2 PRO A 90 4.726 4.130 9.820 1.00 0.00 H new ATOM 0 HD3 PRO A 90 4.394 3.664 11.476 1.00 0.00 H new ATOM 1400 N PHE A 91 4.974 1.363 7.581 1.00 0.00 N ATOM 1401 CA PHE A 91 5.344 1.111 6.161 1.00 0.00 C ATOM 1402 C PHE A 91 6.861 1.026 6.025 1.00 0.00 C ATOM 1403 O PHE A 91 7.396 0.074 5.497 1.00 0.00 O ATOM 1404 CB PHE A 91 4.806 2.313 5.374 1.00 0.00 C ATOM 1405 CG PHE A 91 5.244 2.213 3.925 1.00 0.00 C ATOM 1406 CD1 PHE A 91 6.603 2.313 3.586 1.00 0.00 C ATOM 1407 CD2 PHE A 91 4.292 2.004 2.919 1.00 0.00 C ATOM 1408 CE1 PHE A 91 7.003 2.207 2.257 1.00 0.00 C ATOM 1409 CE2 PHE A 91 4.697 1.901 1.582 1.00 0.00 C ATOM 1410 CZ PHE A 91 6.053 2.002 1.251 1.00 0.00 C ATOM 0 H PHE A 91 4.261 2.077 7.728 1.00 0.00 H new ATOM 0 HA PHE A 91 4.930 0.172 5.793 1.00 0.00 H new ATOM 0 HB2 PHE A 91 3.718 2.342 5.434 1.00 0.00 H new ATOM 0 HB3 PHE A 91 5.174 3.241 5.812 1.00 0.00 H new ATOM 0 HD1 PHE A 91 7.340 2.473 4.359 1.00 0.00 H new ATOM 0 HD2 PHE A 91 3.246 1.922 3.174 1.00 0.00 H new ATOM 0 HE1 PHE A 91 8.050 2.283 2.002 1.00 0.00 H new ATOM 0 HE2 PHE A 91 3.962 1.744 0.806 1.00 0.00 H new ATOM 0 HZ PHE A 91 6.366 1.922 0.220 1.00 0.00 H new ATOM 1420 N GLU A 92 7.555 2.032 6.472 1.00 0.00 N ATOM 1421 CA GLU A 92 9.040 2.027 6.347 1.00 0.00 C ATOM 1422 C GLU A 92 9.598 0.642 6.665 1.00 0.00 C ATOM 1423 O GLU A 92 10.165 -0.017 5.817 1.00 0.00 O ATOM 1424 CB GLU A 92 9.535 3.055 7.364 1.00 0.00 C ATOM 1425 CG GLU A 92 10.904 3.579 6.927 1.00 0.00 C ATOM 1426 CD GLU A 92 11.965 3.146 7.940 1.00 0.00 C ATOM 1427 OE1 GLU A 92 12.028 1.963 8.232 1.00 0.00 O ATOM 1428 OE2 GLU A 92 12.696 4.004 8.406 1.00 0.00 O ATOM 0 H GLU A 92 7.160 2.859 6.919 1.00 0.00 H new ATOM 0 HA GLU A 92 9.364 2.271 5.335 1.00 0.00 H new ATOM 0 HB2 GLU A 92 8.825 3.879 7.441 1.00 0.00 H new ATOM 0 HB3 GLU A 92 9.605 2.601 8.353 1.00 0.00 H new ATOM 0 HG2 GLU A 92 11.153 3.195 5.938 1.00 0.00 H new ATOM 0 HG3 GLU A 92 10.881 4.666 6.851 1.00 0.00 H new ATOM 1435 N GLU A 93 9.442 0.193 7.876 1.00 0.00 N ATOM 1436 CA GLU A 93 9.967 -1.154 8.230 1.00 0.00 C ATOM 1437 C GLU A 93 9.515 -2.175 7.178 1.00 0.00 C ATOM 1438 O GLU A 93 10.131 -3.205 6.991 1.00 0.00 O ATOM 1439 CB GLU A 93 9.378 -1.463 9.616 1.00 0.00 C ATOM 1440 CG GLU A 93 8.027 -2.173 9.478 1.00 0.00 C ATOM 1441 CD GLU A 93 8.245 -3.687 9.473 1.00 0.00 C ATOM 1442 OE1 GLU A 93 8.268 -4.266 10.546 1.00 0.00 O ATOM 1443 OE2 GLU A 93 8.386 -4.241 8.395 1.00 0.00 O ATOM 0 H GLU A 93 8.977 0.695 8.632 1.00 0.00 H new ATOM 0 HA GLU A 93 11.056 -1.195 8.253 1.00 0.00 H new ATOM 0 HB2 GLU A 93 10.069 -2.090 10.180 1.00 0.00 H new ATOM 0 HB3 GLU A 93 9.254 -0.538 10.179 1.00 0.00 H new ATOM 0 HG2 GLU A 93 7.371 -1.892 10.302 1.00 0.00 H new ATOM 0 HG3 GLU A 93 7.533 -1.863 8.557 1.00 0.00 H new ATOM 1450 N ALA A 94 8.444 -1.887 6.487 1.00 0.00 N ATOM 1451 CA ALA A 94 7.950 -2.831 5.442 1.00 0.00 C ATOM 1452 C ALA A 94 8.904 -2.834 4.253 1.00 0.00 C ATOM 1453 O ALA A 94 9.437 -3.857 3.871 1.00 0.00 O ATOM 1454 CB ALA A 94 6.583 -2.287 5.022 1.00 0.00 C ATOM 0 H ALA A 94 7.890 -1.038 6.601 1.00 0.00 H new ATOM 0 HA ALA A 94 7.884 -3.855 5.810 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.156 -2.931 4.253 1.00 0.00 H new ATOM 0 HB2 ALA A 94 5.919 -2.264 5.886 1.00 0.00 H new ATOM 0 HB3 ALA A 94 6.699 -1.278 4.627 1.00 0.00 H new ATOM 1460 N THR A 95 9.129 -1.694 3.669 1.00 0.00 N ATOM 1461 CA THR A 95 10.056 -1.626 2.508 1.00 0.00 C ATOM 1462 C THR A 95 11.477 -1.917 2.984 1.00 0.00 C ATOM 1463 O THR A 95 12.291 -2.460 2.263 1.00 0.00 O ATOM 1464 CB THR A 95 9.938 -0.196 1.984 1.00 0.00 C ATOM 1465 OG1 THR A 95 8.568 0.191 1.979 1.00 0.00 O ATOM 1466 CG2 THR A 95 10.503 -0.128 0.565 1.00 0.00 C ATOM 0 H THR A 95 8.711 -0.805 3.945 1.00 0.00 H new ATOM 0 HA THR A 95 9.817 -2.352 1.731 1.00 0.00 H new ATOM 0 HB THR A 95 10.501 0.481 2.627 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.412 0.851 2.686 1.00 0.00 H new ATOM 0 HG21 THR A 95 10.420 0.892 0.189 1.00 0.00 H new ATOM 0 HG22 THR A 95 11.551 -0.426 0.576 1.00 0.00 H new ATOM 0 HG23 THR A 95 9.941 -0.801 -0.083 1.00 0.00 H new ATOM 1474 N TYR A 96 11.772 -1.572 4.207 1.00 0.00 N ATOM 1475 CA TYR A 96 13.133 -1.839 4.752 1.00 0.00 C ATOM 1476 C TYR A 96 13.258 -3.323 5.101 1.00 0.00 C ATOM 1477 O TYR A 96 14.330 -3.894 5.067 1.00 0.00 O ATOM 1478 CB TYR A 96 13.230 -0.985 6.017 1.00 0.00 C ATOM 1479 CG TYR A 96 13.857 0.347 5.685 1.00 0.00 C ATOM 1480 CD1 TYR A 96 15.241 0.441 5.497 1.00 0.00 C ATOM 1481 CD2 TYR A 96 13.055 1.488 5.570 1.00 0.00 C ATOM 1482 CE1 TYR A 96 15.823 1.678 5.192 1.00 0.00 C ATOM 1483 CE2 TYR A 96 13.636 2.724 5.265 1.00 0.00 C ATOM 1484 CZ TYR A 96 15.020 2.819 5.076 1.00 0.00 C ATOM 1485 OH TYR A 96 15.592 4.039 4.777 1.00 0.00 O ATOM 0 H TYR A 96 11.128 -1.116 4.854 1.00 0.00 H new ATOM 0 HA TYR A 96 13.924 -1.599 4.042 1.00 0.00 H new ATOM 0 HB2 TYR A 96 12.238 -0.835 6.443 1.00 0.00 H new ATOM 0 HB3 TYR A 96 13.826 -1.500 6.771 1.00 0.00 H new ATOM 0 HD1 TYR A 96 15.860 -0.440 5.587 1.00 0.00 H new ATOM 0 HD2 TYR A 96 11.988 1.415 5.717 1.00 0.00 H new ATOM 0 HE1 TYR A 96 16.891 1.752 5.046 1.00 0.00 H new ATOM 0 HE2 TYR A 96 13.017 3.604 5.175 1.00 0.00 H new ATOM 0 HH TYR A 96 16.395 3.899 4.233 1.00 0.00 H new ATOM 1495 N ALA A 97 12.162 -3.948 5.435 1.00 0.00 N ATOM 1496 CA ALA A 97 12.199 -5.396 5.787 1.00 0.00 C ATOM 1497 C ALA A 97 12.098 -6.248 4.521 1.00 0.00 C ATOM 1498 O ALA A 97 12.686 -7.307 4.424 1.00 0.00 O ATOM 1499 CB ALA A 97 10.974 -5.614 6.677 1.00 0.00 C ATOM 0 H ALA A 97 11.239 -3.516 5.479 1.00 0.00 H new ATOM 0 HA ALA A 97 13.125 -5.678 6.288 1.00 0.00 H new ATOM 0 HB1 ALA A 97 10.927 -6.660 6.981 1.00 0.00 H new ATOM 0 HB2 ALA A 97 11.050 -4.982 7.562 1.00 0.00 H new ATOM 0 HB3 ALA A 97 10.071 -5.356 6.123 1.00 0.00 H new ATOM 1505 N LEU A 98 11.355 -5.794 3.548 1.00 0.00 N ATOM 1506 CA LEU A 98 11.214 -6.577 2.287 1.00 0.00 C ATOM 1507 C LEU A 98 12.312 -6.185 1.295 1.00 0.00 C ATOM 1508 O LEU A 98 12.572 -5.020 1.070 1.00 0.00 O ATOM 1509 CB LEU A 98 9.837 -6.199 1.739 1.00 0.00 C ATOM 1510 CG LEU A 98 9.306 -7.332 0.860 1.00 0.00 C ATOM 1511 CD1 LEU A 98 7.817 -7.543 1.142 1.00 0.00 C ATOM 1512 CD2 LEU A 98 9.497 -6.963 -0.614 1.00 0.00 C ATOM 0 H LEU A 98 10.839 -4.914 3.572 1.00 0.00 H new ATOM 0 HA LEU A 98 11.306 -7.650 2.455 1.00 0.00 H new ATOM 0 HB2 LEU A 98 9.147 -6.009 2.561 1.00 0.00 H new ATOM 0 HB3 LEU A 98 9.905 -5.278 1.161 1.00 0.00 H new ATOM 0 HG LEU A 98 9.851 -8.250 1.081 1.00 0.00 H new ATOM 0 HD11 LEU A 98 7.439 -8.351 0.515 1.00 0.00 H new ATOM 0 HD12 LEU A 98 7.679 -7.803 2.191 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.271 -6.626 0.920 1.00 0.00 H new ATOM 0 HD21 LEU A 98 9.119 -7.769 -1.243 1.00 0.00 H new ATOM 0 HD22 LEU A 98 8.951 -6.046 -0.833 1.00 0.00 H new ATOM 0 HD23 LEU A 98 10.557 -6.811 -0.817 1.00 0.00 H new ATOM 1524 N LYS A 99 12.956 -7.149 0.699 1.00 0.00 N ATOM 1525 CA LYS A 99 14.035 -6.832 -0.280 1.00 0.00 C ATOM 1526 C LYS A 99 13.434 -6.628 -1.675 1.00 0.00 C ATOM 1527 O LYS A 99 13.193 -5.517 -2.101 1.00 0.00 O ATOM 1528 CB LYS A 99 14.953 -8.054 -0.264 1.00 0.00 C ATOM 1529 CG LYS A 99 15.995 -7.899 0.845 1.00 0.00 C ATOM 1530 CD LYS A 99 17.026 -9.024 0.737 1.00 0.00 C ATOM 1531 CE LYS A 99 18.398 -8.433 0.407 1.00 0.00 C ATOM 1532 NZ LYS A 99 18.260 -7.879 -0.970 1.00 0.00 N ATOM 0 H LYS A 99 12.783 -8.143 0.847 1.00 0.00 H new ATOM 0 HA LYS A 99 14.571 -5.917 -0.027 1.00 0.00 H new ATOM 0 HB2 LYS A 99 14.367 -8.959 -0.103 1.00 0.00 H new ATOM 0 HB3 LYS A 99 15.448 -8.162 -1.229 1.00 0.00 H new ATOM 0 HG2 LYS A 99 16.488 -6.930 0.763 1.00 0.00 H new ATOM 0 HG3 LYS A 99 15.510 -7.928 1.821 1.00 0.00 H new ATOM 0 HD2 LYS A 99 17.074 -9.578 1.674 1.00 0.00 H new ATOM 0 HD3 LYS A 99 16.728 -9.731 -0.037 1.00 0.00 H new ATOM 0 HE2 LYS A 99 18.674 -7.655 1.119 1.00 0.00 H new ATOM 0 HE3 LYS A 99 19.176 -9.195 0.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 19.198 -7.816 -1.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 17.650 -8.503 -1.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 17.835 -6.931 -0.922 1.00 0.00 H new ATOM 1546 N VAL A 100 13.189 -7.697 -2.384 1.00 0.00 N ATOM 1547 CA VAL A 100 12.599 -7.575 -3.750 1.00 0.00 C ATOM 1548 C VAL A 100 12.186 -8.962 -4.259 1.00 0.00 C ATOM 1549 O VAL A 100 13.015 -9.783 -4.599 1.00 0.00 O ATOM 1550 CB VAL A 100 13.713 -6.961 -4.613 1.00 0.00 C ATOM 1551 CG1 VAL A 100 13.648 -7.499 -6.049 1.00 0.00 C ATOM 1552 CG2 VAL A 100 13.537 -5.443 -4.642 1.00 0.00 C ATOM 0 H VAL A 100 13.372 -8.652 -2.076 1.00 0.00 H new ATOM 0 HA VAL A 100 11.702 -6.957 -3.773 1.00 0.00 H new ATOM 0 HB VAL A 100 14.678 -7.227 -4.183 1.00 0.00 H new ATOM 0 HG11 VAL A 100 14.445 -7.051 -6.642 1.00 0.00 H new ATOM 0 HG12 VAL A 100 13.769 -8.582 -6.038 1.00 0.00 H new ATOM 0 HG13 VAL A 100 12.683 -7.246 -6.489 1.00 0.00 H new ATOM 0 HG21 VAL A 100 14.323 -4.997 -5.252 1.00 0.00 H new ATOM 0 HG22 VAL A 100 12.564 -5.198 -5.068 1.00 0.00 H new ATOM 0 HG23 VAL A 100 13.599 -5.050 -3.627 1.00 0.00 H new ATOM 1562 N GLY A 101 10.909 -9.225 -4.309 1.00 0.00 N ATOM 1563 CA GLY A 101 10.440 -10.554 -4.791 1.00 0.00 C ATOM 1564 C GLY A 101 9.293 -11.040 -3.904 1.00 0.00 C ATOM 1565 O GLY A 101 8.646 -12.027 -4.193 1.00 0.00 O ATOM 0 H GLY A 101 10.170 -8.577 -4.037 1.00 0.00 H new ATOM 0 HA2 GLY A 101 10.108 -10.481 -5.827 1.00 0.00 H new ATOM 0 HA3 GLY A 101 11.260 -11.271 -4.769 1.00 0.00 H new ATOM 1569 N ASP A 102 9.035 -10.353 -2.823 1.00 0.00 N ATOM 1570 CA ASP A 102 7.929 -10.774 -1.917 1.00 0.00 C ATOM 1571 C ASP A 102 6.645 -10.014 -2.263 1.00 0.00 C ATOM 1572 O ASP A 102 5.556 -10.544 -2.179 1.00 0.00 O ATOM 1573 CB ASP A 102 8.409 -10.404 -0.513 1.00 0.00 C ATOM 1574 CG ASP A 102 9.497 -11.384 -0.068 1.00 0.00 C ATOM 1575 OD1 ASP A 102 10.368 -11.677 -0.871 1.00 0.00 O ATOM 1576 OD2 ASP A 102 9.442 -11.824 1.069 1.00 0.00 O ATOM 0 H ASP A 102 9.543 -9.519 -2.529 1.00 0.00 H new ATOM 0 HA ASP A 102 7.702 -11.837 -2.005 1.00 0.00 H new ATOM 0 HB2 ASP A 102 8.798 -9.386 -0.507 1.00 0.00 H new ATOM 0 HB3 ASP A 102 7.574 -10.430 0.187 1.00 0.00 H new ATOM 1581 N ILE A 103 6.776 -8.775 -2.649 1.00 0.00 N ATOM 1582 CA ILE A 103 5.579 -7.953 -3.009 1.00 0.00 C ATOM 1583 C ILE A 103 4.742 -7.641 -1.765 1.00 0.00 C ATOM 1584 O ILE A 103 3.598 -7.244 -1.860 1.00 0.00 O ATOM 1585 CB ILE A 103 4.779 -8.799 -4.002 1.00 0.00 C ATOM 1586 CG1 ILE A 103 5.732 -9.409 -5.034 1.00 0.00 C ATOM 1587 CG2 ILE A 103 3.758 -7.912 -4.718 1.00 0.00 C ATOM 1588 CD1 ILE A 103 4.925 -9.981 -6.202 1.00 0.00 C ATOM 0 H ILE A 103 7.669 -8.289 -2.732 1.00 0.00 H new ATOM 0 HA ILE A 103 5.866 -6.994 -3.440 1.00 0.00 H new ATOM 0 HB ILE A 103 4.261 -9.595 -3.468 1.00 0.00 H new ATOM 0 HG12 ILE A 103 6.427 -8.651 -5.395 1.00 0.00 H new ATOM 0 HG13 ILE A 103 6.330 -10.195 -4.572 1.00 0.00 H new ATOM 0 HG21 ILE A 103 3.187 -8.513 -5.426 1.00 0.00 H new ATOM 0 HG22 ILE A 103 3.081 -7.473 -3.986 1.00 0.00 H new ATOM 0 HG23 ILE A 103 4.278 -7.118 -5.253 1.00 0.00 H new ATOM 0 HD11 ILE A 103 5.604 -10.415 -6.936 1.00 0.00 H new ATOM 0 HD12 ILE A 103 4.248 -10.752 -5.834 1.00 0.00 H new ATOM 0 HD13 ILE A 103 4.347 -9.184 -6.670 1.00 0.00 H new ATOM 1600 N SER A 104 5.308 -7.805 -0.601 1.00 0.00 N ATOM 1601 CA SER A 104 4.550 -7.504 0.650 1.00 0.00 C ATOM 1602 C SER A 104 3.166 -8.160 0.618 1.00 0.00 C ATOM 1603 O SER A 104 2.250 -7.670 -0.013 1.00 0.00 O ATOM 1604 CB SER A 104 4.424 -5.979 0.674 1.00 0.00 C ATOM 1605 OG SER A 104 3.057 -5.617 0.838 1.00 0.00 O ATOM 0 H SER A 104 6.263 -8.135 -0.460 1.00 0.00 H new ATOM 0 HA SER A 104 5.053 -7.890 1.537 1.00 0.00 H new ATOM 0 HB2 SER A 104 5.020 -5.567 1.488 1.00 0.00 H new ATOM 0 HB3 SER A 104 4.814 -5.557 -0.252 1.00 0.00 H new ATOM 0 HG SER A 104 2.535 -5.958 0.082 1.00 0.00 H new ATOM 1611 N ASP A 105 3.005 -9.260 1.300 1.00 0.00 N ATOM 1612 CA ASP A 105 1.675 -9.939 1.312 1.00 0.00 C ATOM 1613 C ASP A 105 0.588 -8.963 1.775 1.00 0.00 C ATOM 1614 O ASP A 105 -0.377 -8.719 1.079 1.00 0.00 O ATOM 1615 CB ASP A 105 1.820 -11.106 2.296 1.00 0.00 C ATOM 1616 CG ASP A 105 2.602 -10.656 3.532 1.00 0.00 C ATOM 1617 OD1 ASP A 105 3.794 -10.431 3.403 1.00 0.00 O ATOM 1618 OD2 ASP A 105 1.998 -10.546 4.585 1.00 0.00 O ATOM 0 H ASP A 105 3.733 -9.718 1.848 1.00 0.00 H new ATOM 0 HA ASP A 105 1.383 -10.289 0.322 1.00 0.00 H new ATOM 0 HB2 ASP A 105 0.835 -11.468 2.591 1.00 0.00 H new ATOM 0 HB3 ASP A 105 2.334 -11.937 1.813 1.00 0.00 H new ATOM 1623 N ILE A 106 0.744 -8.395 2.937 1.00 0.00 N ATOM 1624 CA ILE A 106 -0.274 -7.423 3.443 1.00 0.00 C ATOM 1625 C ILE A 106 0.407 -6.349 4.295 1.00 0.00 C ATOM 1626 O ILE A 106 1.322 -6.627 5.046 1.00 0.00 O ATOM 1627 CB ILE A 106 -1.256 -8.238 4.292 1.00 0.00 C ATOM 1628 CG1 ILE A 106 -0.494 -9.340 5.063 1.00 0.00 C ATOM 1629 CG2 ILE A 106 -2.335 -8.842 3.382 1.00 0.00 C ATOM 1630 CD1 ILE A 106 -0.694 -10.714 4.409 1.00 0.00 C ATOM 0 H ILE A 106 1.533 -8.560 3.562 1.00 0.00 H new ATOM 0 HA ILE A 106 -0.787 -6.915 2.626 1.00 0.00 H new ATOM 0 HB ILE A 106 -1.742 -7.590 5.022 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.569 -9.099 5.092 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -0.842 -9.372 6.096 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -3.035 -9.422 3.983 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -2.871 -8.041 2.873 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -1.866 -9.492 2.643 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -0.146 -11.469 4.973 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -1.755 -10.964 4.404 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -0.323 -10.687 3.384 1.00 0.00 H new ATOM 1642 N VAL A 107 -0.026 -5.122 4.181 1.00 0.00 N ATOM 1643 CA VAL A 107 0.606 -4.033 4.982 1.00 0.00 C ATOM 1644 C VAL A 107 -0.459 -3.233 5.739 1.00 0.00 C ATOM 1645 O VAL A 107 -0.696 -2.076 5.454 1.00 0.00 O ATOM 1646 CB VAL A 107 1.309 -3.149 3.952 1.00 0.00 C ATOM 1647 CG1 VAL A 107 2.289 -2.214 4.661 1.00 0.00 C ATOM 1648 CG2 VAL A 107 2.076 -4.030 2.963 1.00 0.00 C ATOM 0 H VAL A 107 -0.788 -4.827 3.570 1.00 0.00 H new ATOM 0 HA VAL A 107 1.295 -4.421 5.732 1.00 0.00 H new ATOM 0 HB VAL A 107 0.566 -2.558 3.417 1.00 0.00 H new ATOM 0 HG11 VAL A 107 2.789 -1.585 3.925 1.00 0.00 H new ATOM 0 HG12 VAL A 107 1.746 -1.585 5.367 1.00 0.00 H new ATOM 0 HG13 VAL A 107 3.032 -2.804 5.198 1.00 0.00 H new ATOM 0 HG21 VAL A 107 2.578 -3.400 2.228 1.00 0.00 H new ATOM 0 HG22 VAL A 107 2.817 -4.621 3.501 1.00 0.00 H new ATOM 0 HG23 VAL A 107 1.380 -4.697 2.454 1.00 0.00 H new ATOM 1658 N ASP A 108 -1.101 -3.838 6.703 1.00 0.00 N ATOM 1659 CA ASP A 108 -2.147 -3.103 7.476 1.00 0.00 C ATOM 1660 C ASP A 108 -1.550 -1.852 8.124 1.00 0.00 C ATOM 1661 O ASP A 108 -0.779 -1.928 9.061 1.00 0.00 O ATOM 1662 CB ASP A 108 -2.648 -4.087 8.535 1.00 0.00 C ATOM 1663 CG ASP A 108 -1.468 -4.834 9.160 1.00 0.00 C ATOM 1664 OD1 ASP A 108 -0.559 -4.176 9.637 1.00 0.00 O ATOM 1665 OD2 ASP A 108 -1.495 -6.054 9.154 1.00 0.00 O ATOM 0 H ASP A 108 -0.948 -4.805 6.988 1.00 0.00 H new ATOM 0 HA ASP A 108 -2.962 -2.764 6.837 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -3.200 -3.552 9.308 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -3.340 -4.798 8.084 1.00 0.00 H new ATOM 1670 N THR A 109 -1.908 -0.699 7.626 1.00 0.00 N ATOM 1671 CA THR A 109 -1.376 0.570 8.199 1.00 0.00 C ATOM 1672 C THR A 109 -2.454 1.652 8.125 1.00 0.00 C ATOM 1673 O THR A 109 -3.625 1.360 7.981 1.00 0.00 O ATOM 1674 CB THR A 109 -0.183 0.943 7.314 1.00 0.00 C ATOM 1675 OG1 THR A 109 0.185 -0.173 6.517 1.00 0.00 O ATOM 1676 CG2 THR A 109 1.000 1.357 8.191 1.00 0.00 C ATOM 0 H THR A 109 -2.550 -0.582 6.842 1.00 0.00 H new ATOM 0 HA THR A 109 -1.083 0.467 9.244 1.00 0.00 H new ATOM 0 HB THR A 109 -0.461 1.775 6.667 1.00 0.00 H new ATOM 0 HG1 THR A 109 -0.516 -0.348 5.855 1.00 0.00 H new ATOM 0 HG21 THR A 109 1.847 1.622 7.558 1.00 0.00 H new ATOM 0 HG22 THR A 109 0.719 2.217 8.799 1.00 0.00 H new ATOM 0 HG23 THR A 109 1.278 0.528 8.842 1.00 0.00 H new ATOM 1684 N ASP A 110 -2.075 2.897 8.211 1.00 0.00 N ATOM 1685 CA ASP A 110 -3.092 3.983 8.134 1.00 0.00 C ATOM 1686 C ASP A 110 -4.077 3.681 7.002 1.00 0.00 C ATOM 1687 O ASP A 110 -3.734 3.047 6.025 1.00 0.00 O ATOM 1688 CB ASP A 110 -2.298 5.255 7.836 1.00 0.00 C ATOM 1689 CG ASP A 110 -1.341 5.001 6.669 1.00 0.00 C ATOM 1690 OD1 ASP A 110 -1.820 4.869 5.555 1.00 0.00 O ATOM 1691 OD2 ASP A 110 -0.146 4.944 6.910 1.00 0.00 O ATOM 0 H ASP A 110 -1.111 3.208 8.331 1.00 0.00 H new ATOM 0 HA ASP A 110 -3.672 4.081 9.051 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -2.978 6.071 7.591 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -1.737 5.561 8.719 1.00 0.00 H new ATOM 1696 N SER A 111 -5.300 4.121 7.130 1.00 0.00 N ATOM 1697 CA SER A 111 -6.312 3.853 6.065 1.00 0.00 C ATOM 1698 C SER A 111 -6.705 2.375 6.066 1.00 0.00 C ATOM 1699 O SER A 111 -7.863 2.030 6.200 1.00 0.00 O ATOM 1700 CB SER A 111 -5.629 4.220 4.747 1.00 0.00 C ATOM 1701 OG SER A 111 -4.809 5.364 4.946 1.00 0.00 O ATOM 0 H SER A 111 -5.644 4.656 7.928 1.00 0.00 H new ATOM 0 HA SER A 111 -7.225 4.428 6.221 1.00 0.00 H new ATOM 0 HB2 SER A 111 -5.027 3.384 4.391 1.00 0.00 H new ATOM 0 HB3 SER A 111 -6.377 4.423 3.981 1.00 0.00 H new ATOM 0 HG SER A 111 -4.866 5.948 4.161 1.00 0.00 H new ATOM 1707 N GLY A 112 -5.752 1.502 5.917 1.00 0.00 N ATOM 1708 CA GLY A 112 -6.072 0.046 5.908 1.00 0.00 C ATOM 1709 C GLY A 112 -4.863 -0.752 5.412 1.00 0.00 C ATOM 1710 O GLY A 112 -3.732 -0.322 5.526 1.00 0.00 O ATOM 0 H GLY A 112 -4.765 1.731 5.801 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -6.347 -0.281 6.911 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -6.931 -0.142 5.264 1.00 0.00 H new ATOM 1714 N VAL A 113 -5.096 -1.915 4.866 1.00 0.00 N ATOM 1715 CA VAL A 113 -3.961 -2.748 4.367 1.00 0.00 C ATOM 1716 C VAL A 113 -3.476 -2.243 3.009 1.00 0.00 C ATOM 1717 O VAL A 113 -4.252 -1.996 2.107 1.00 0.00 O ATOM 1718 CB VAL A 113 -4.522 -4.167 4.253 1.00 0.00 C ATOM 1719 CG1 VAL A 113 -4.789 -4.729 5.651 1.00 0.00 C ATOM 1720 CG2 VAL A 113 -5.830 -4.140 3.467 1.00 0.00 C ATOM 0 H VAL A 113 -6.022 -2.325 4.743 1.00 0.00 H new ATOM 0 HA VAL A 113 -3.101 -2.706 5.036 1.00 0.00 H new ATOM 0 HB VAL A 113 -3.797 -4.797 3.737 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -5.188 -5.740 5.567 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -3.858 -4.753 6.217 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -5.511 -4.095 6.166 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -6.227 -5.152 3.387 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -6.551 -3.506 3.983 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -5.646 -3.743 2.469 1.00 0.00 H new ATOM 1730 N HIS A 114 -2.188 -2.090 2.862 1.00 0.00 N ATOM 1731 CA HIS A 114 -1.630 -1.604 1.570 1.00 0.00 C ATOM 1732 C HIS A 114 -0.819 -2.715 0.898 1.00 0.00 C ATOM 1733 O HIS A 114 -0.907 -3.872 1.262 1.00 0.00 O ATOM 1734 CB HIS A 114 -0.711 -0.440 1.946 1.00 0.00 C ATOM 1735 CG HIS A 114 -1.524 0.709 2.472 1.00 0.00 C ATOM 1736 ND1 HIS A 114 -1.938 1.755 1.662 1.00 0.00 N ATOM 1737 CD2 HIS A 114 -1.993 1.001 3.730 1.00 0.00 C ATOM 1738 CE1 HIS A 114 -2.622 2.620 2.434 1.00 0.00 C ATOM 1739 NE2 HIS A 114 -2.685 2.207 3.703 1.00 0.00 N ATOM 0 H HIS A 114 -1.496 -2.282 3.586 1.00 0.00 H new ATOM 0 HA HIS A 114 -2.411 -1.303 0.872 1.00 0.00 H new ATOM 0 HB2 HIS A 114 0.008 -0.762 2.699 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -0.138 -0.122 1.075 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -1.847 0.387 4.607 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -3.066 3.536 2.072 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -3.143 2.676 4.485 1.00 0.00 H new ATOM 1747 N ILE A 115 -0.022 -2.363 -0.072 1.00 0.00 N ATOM 1748 CA ILE A 115 0.815 -3.381 -0.777 1.00 0.00 C ATOM 1749 C ILE A 115 2.026 -2.672 -1.401 1.00 0.00 C ATOM 1750 O ILE A 115 1.914 -1.993 -2.401 1.00 0.00 O ATOM 1751 CB ILE A 115 -0.102 -4.048 -1.846 1.00 0.00 C ATOM 1752 CG1 ILE A 115 0.517 -3.944 -3.248 1.00 0.00 C ATOM 1753 CG2 ILE A 115 -1.487 -3.388 -1.872 1.00 0.00 C ATOM 1754 CD1 ILE A 115 -0.240 -4.859 -4.212 1.00 0.00 C ATOM 0 H ILE A 115 0.088 -1.407 -0.411 1.00 0.00 H new ATOM 0 HA ILE A 115 1.202 -4.150 -0.109 1.00 0.00 H new ATOM 0 HB ILE A 115 -0.203 -5.098 -1.570 1.00 0.00 H new ATOM 0 HG12 ILE A 115 0.474 -2.913 -3.600 1.00 0.00 H new ATOM 0 HG13 ILE A 115 1.569 -4.226 -3.214 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -2.107 -3.872 -2.627 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -1.958 -3.492 -0.894 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -1.382 -2.330 -2.114 1.00 0.00 H new ATOM 0 HD11 ILE A 115 0.200 -4.784 -5.206 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -0.174 -5.889 -3.863 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -1.286 -4.556 -4.255 1.00 0.00 H new ATOM 1766 N ILE A 116 3.177 -2.805 -0.801 1.00 0.00 N ATOM 1767 CA ILE A 116 4.386 -2.118 -1.342 1.00 0.00 C ATOM 1768 C ILE A 116 5.005 -2.908 -2.497 1.00 0.00 C ATOM 1769 O ILE A 116 4.792 -4.096 -2.646 1.00 0.00 O ATOM 1770 CB ILE A 116 5.357 -2.051 -0.162 1.00 0.00 C ATOM 1771 CG1 ILE A 116 4.920 -0.938 0.791 1.00 0.00 C ATOM 1772 CG2 ILE A 116 6.771 -1.754 -0.670 1.00 0.00 C ATOM 1773 CD1 ILE A 116 4.428 -1.552 2.102 1.00 0.00 C ATOM 0 H ILE A 116 3.333 -3.360 0.041 1.00 0.00 H new ATOM 0 HA ILE A 116 4.144 -1.133 -1.742 1.00 0.00 H new ATOM 0 HB ILE A 116 5.354 -3.007 0.361 1.00 0.00 H new ATOM 0 HG12 ILE A 116 5.753 -0.262 0.984 1.00 0.00 H new ATOM 0 HG13 ILE A 116 4.127 -0.345 0.335 1.00 0.00 H new ATOM 0 HG21 ILE A 116 7.459 -1.707 0.174 1.00 0.00 H new ATOM 0 HG22 ILE A 116 7.086 -2.544 -1.351 1.00 0.00 H new ATOM 0 HG23 ILE A 116 6.776 -0.799 -1.195 1.00 0.00 H new ATOM 0 HD11 ILE A 116 4.117 -0.758 2.781 1.00 0.00 H new ATOM 0 HD12 ILE A 116 3.583 -2.210 1.901 1.00 0.00 H new ATOM 0 HD13 ILE A 116 5.234 -2.126 2.560 1.00 0.00 H new ATOM 1785 N LYS A 117 5.785 -2.246 -3.306 1.00 0.00 N ATOM 1786 CA LYS A 117 6.447 -2.929 -4.452 1.00 0.00 C ATOM 1787 C LYS A 117 7.798 -2.266 -4.728 1.00 0.00 C ATOM 1788 O LYS A 117 7.881 -1.074 -4.952 1.00 0.00 O ATOM 1789 CB LYS A 117 5.501 -2.742 -5.637 1.00 0.00 C ATOM 1790 CG LYS A 117 5.197 -4.105 -6.260 1.00 0.00 C ATOM 1791 CD LYS A 117 6.346 -4.512 -7.183 1.00 0.00 C ATOM 1792 CE LYS A 117 6.224 -3.764 -8.511 1.00 0.00 C ATOM 1793 NZ LYS A 117 6.669 -4.741 -9.543 1.00 0.00 N ATOM 0 H LYS A 117 5.994 -1.251 -3.221 1.00 0.00 H new ATOM 0 HA LYS A 117 6.635 -3.985 -4.258 1.00 0.00 H new ATOM 0 HB2 LYS A 117 4.578 -2.265 -5.308 1.00 0.00 H new ATOM 0 HB3 LYS A 117 5.954 -2.083 -6.378 1.00 0.00 H new ATOM 0 HG2 LYS A 117 5.063 -4.852 -5.478 1.00 0.00 H new ATOM 0 HG3 LYS A 117 4.264 -4.060 -6.822 1.00 0.00 H new ATOM 0 HD2 LYS A 117 7.302 -4.285 -6.712 1.00 0.00 H new ATOM 0 HD3 LYS A 117 6.324 -5.588 -7.356 1.00 0.00 H new ATOM 0 HE2 LYS A 117 5.199 -3.440 -8.689 1.00 0.00 H new ATOM 0 HE3 LYS A 117 6.847 -2.869 -8.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 6.614 -4.301 -10.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 7.651 -5.026 -9.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 6.054 -5.579 -9.516 1.00 0.00 H new ATOM 1807 N ARG A 118 8.856 -3.025 -4.703 1.00 0.00 N ATOM 1808 CA ARG A 118 10.203 -2.433 -4.951 1.00 0.00 C ATOM 1809 C ARG A 118 10.835 -3.043 -6.206 1.00 0.00 C ATOM 1810 O ARG A 118 10.180 -3.712 -6.980 1.00 0.00 O ATOM 1811 CB ARG A 118 11.020 -2.791 -3.708 1.00 0.00 C ATOM 1812 CG ARG A 118 11.830 -1.575 -3.259 1.00 0.00 C ATOM 1813 CD ARG A 118 13.105 -2.044 -2.555 1.00 0.00 C ATOM 1814 NE ARG A 118 13.675 -0.815 -1.937 1.00 0.00 N ATOM 1815 CZ ARG A 118 14.816 -0.868 -1.306 1.00 0.00 C ATOM 1816 NH1 ARG A 118 14.884 -1.423 -0.127 1.00 0.00 N ATOM 1817 NH2 ARG A 118 15.889 -0.366 -1.854 1.00 0.00 N ATOM 0 H ARG A 118 8.849 -4.029 -4.522 1.00 0.00 H new ATOM 0 HA ARG A 118 10.157 -1.357 -5.118 1.00 0.00 H new ATOM 0 HB2 ARG A 118 10.357 -3.115 -2.906 1.00 0.00 H new ATOM 0 HB3 ARG A 118 11.687 -3.625 -3.927 1.00 0.00 H new ATOM 0 HG2 ARG A 118 12.084 -0.956 -4.119 1.00 0.00 H new ATOM 0 HG3 ARG A 118 11.236 -0.957 -2.585 1.00 0.00 H new ATOM 0 HD2 ARG A 118 12.885 -2.800 -1.801 1.00 0.00 H new ATOM 0 HD3 ARG A 118 13.804 -2.492 -3.261 1.00 0.00 H new ATOM 0 HE ARG A 118 13.173 0.070 -2.007 1.00 0.00 H new ATOM 0 HH11 ARG A 118 14.045 -1.815 0.301 1.00 0.00 H new ATOM 0 HH12 ARG A 118 15.776 -1.465 0.366 1.00 0.00 H new ATOM 0 HH21 ARG A 118 15.836 0.068 -2.776 1.00 0.00 H new ATOM 0 HH22 ARG A 118 16.781 -0.408 -1.361 1.00 0.00 H new ATOM 1831 N THR A 119 12.104 -2.815 -6.412 1.00 0.00 N ATOM 1832 CA THR A 119 12.777 -3.379 -7.618 1.00 0.00 C ATOM 1833 C THR A 119 12.336 -4.828 -7.836 1.00 0.00 C ATOM 1834 O THR A 119 12.004 -5.531 -6.903 1.00 0.00 O ATOM 1835 CB THR A 119 14.275 -3.319 -7.307 1.00 0.00 C ATOM 1836 OG1 THR A 119 14.494 -2.472 -6.187 1.00 0.00 O ATOM 1837 CG2 THR A 119 15.027 -2.770 -8.520 1.00 0.00 C ATOM 0 H THR A 119 12.703 -2.263 -5.798 1.00 0.00 H new ATOM 0 HA THR A 119 12.528 -2.827 -8.524 1.00 0.00 H new ATOM 0 HB THR A 119 14.639 -4.321 -7.079 1.00 0.00 H new ATOM 0 HG1 THR A 119 15.453 -2.435 -5.987 1.00 0.00 H new ATOM 0 HG21 THR A 119 16.093 -2.727 -8.298 1.00 0.00 H new ATOM 0 HG22 THR A 119 14.860 -3.422 -9.377 1.00 0.00 H new ATOM 0 HG23 THR A 119 14.664 -1.768 -8.750 1.00 0.00 H new ATOM 1845 N ALA A 120 12.331 -5.280 -9.061 1.00 0.00 N ATOM 1846 CA ALA A 120 11.913 -6.685 -9.336 1.00 0.00 C ATOM 1847 C ALA A 120 11.956 -6.963 -10.841 1.00 0.00 C ATOM 1848 O ALA A 120 12.624 -6.221 -11.542 1.00 0.00 O ATOM 1849 CB ALA A 120 10.479 -6.785 -8.812 1.00 0.00 C ATOM 1850 OXT ALA A 120 11.323 -7.915 -11.265 1.00 0.00 O ATOM 0 H ALA A 120 12.598 -4.738 -9.883 1.00 0.00 H new ATOM 0 HA ALA A 120 12.571 -7.412 -8.859 1.00 0.00 H new ATOM 0 HB1 ALA A 120 10.100 -7.793 -8.979 1.00 0.00 H new ATOM 0 HB2 ALA A 120 10.465 -6.564 -7.745 1.00 0.00 H new ATOM 0 HB3 ALA A 120 9.848 -6.069 -9.339 1.00 0.00 H new