USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=20 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 109 THR OG1 : rot -59:sc= 0.414 USER MOD Set 1.2: A 114 HIS : no HE2:sc= -11.7! C(o=-11!,f=-17!) USER MOD Set 2.1: A 7 GLN : amide:sc=-0.00611 K(o=-0.0061,f=-1.6!) USER MOD Set 2.2: A 81 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 12 HIS : no HD1:sc= -2.53! C(o=-5.3!,f=-7.9!) USER MOD Set 3.2: A 72 SER OG : rot 140:sc= -2.76 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 106:sc= -2.7! USER MOD Single : A 16 LYS NZ :NH3+ 146:sc= -5.3! (180deg=-6.01!) USER MOD Single : A 17 HIS : no HD1:sc= -7.75! C(o=-7.7!,f=-9.1!) USER MOD Single : A 18 GLN : amide:sc= -0.162 X(o=-0.16,f=-0.16) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0666 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.0439 USER MOD Single : A 45 GLN : amide:sc= -1.12 K(o=-1.1,f=-5.7!) 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 -179:sc= -3.52! USER MOD Single : A 57 LYS NZ :NH3+ -137:sc= -0.317 (180deg=-2.18!) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 THR OG1 : rot -160:sc= -0.02 USER MOD Single : A 68 SER OG : rot -15:sc= -5.86! USER MOD Single : A 70 CYS SG : rot 180:sc= -0.973! USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= -4.03! C(o=-4!,f=-8.8!) USER MOD Single : A 87 MET CE :methyl 180:sc= -12.8! (180deg=-12.8!) USER MOD Single : A 88 GLN : amide:sc= -0.694 X(o=-0.69,f=-0.53) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 116:sc= -1.54! USER MOD Single : A 96 TYR OH : rot 30:sc= -0.739 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 140:sc= -0.25 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0.156 USER MOD ----------------------------------------------------------------- ATOM 92 N GLN A 7 17.994 6.200 2.700 1.00 0.00 N ATOM 93 CA GLN A 7 16.859 6.533 1.792 1.00 0.00 C ATOM 94 C GLN A 7 16.139 5.250 1.374 1.00 0.00 C ATOM 95 O GLN A 7 16.645 4.160 1.554 1.00 0.00 O ATOM 96 CB GLN A 7 17.499 7.213 0.581 1.00 0.00 C ATOM 97 CG GLN A 7 16.480 8.146 -0.078 1.00 0.00 C ATOM 98 CD GLN A 7 17.183 9.007 -1.130 1.00 0.00 C ATOM 99 OE1 GLN A 7 18.377 8.891 -1.327 1.00 0.00 O ATOM 100 NE2 GLN A 7 16.491 9.874 -1.819 1.00 0.00 N ATOM 0 HA GLN A 7 16.120 7.177 2.268 1.00 0.00 H new ATOM 0 HB2 GLN A 7 18.378 7.778 0.890 1.00 0.00 H new ATOM 0 HB3 GLN A 7 17.837 6.463 -0.134 1.00 0.00 H new ATOM 0 HG2 GLN A 7 15.684 7.563 -0.542 1.00 0.00 H new ATOM 0 HG3 GLN A 7 16.013 8.781 0.674 1.00 0.00 H new ATOM 0 HE21 GLN A 7 15.489 9.973 -1.655 1.00 0.00 H new ATOM 0 HE22 GLN A 7 16.952 10.452 -2.521 1.00 0.00 H new ATOM 109 N VAL A 8 14.959 5.362 0.832 1.00 0.00 N ATOM 110 CA VAL A 8 14.217 4.132 0.423 1.00 0.00 C ATOM 111 C VAL A 8 13.194 4.445 -0.676 1.00 0.00 C ATOM 112 O VAL A 8 12.162 5.034 -0.423 1.00 0.00 O ATOM 113 CB VAL A 8 13.513 3.674 1.704 1.00 0.00 C ATOM 114 CG1 VAL A 8 12.871 4.877 2.391 1.00 0.00 C ATOM 115 CG2 VAL A 8 12.427 2.653 1.369 1.00 0.00 C ATOM 0 H VAL A 8 14.477 6.243 0.655 1.00 0.00 H new ATOM 0 HA VAL A 8 14.877 3.369 0.011 1.00 0.00 H new ATOM 0 HB VAL A 8 14.248 3.216 2.366 1.00 0.00 H new ATOM 0 HG11 VAL A 8 12.370 4.551 3.303 1.00 0.00 H new ATOM 0 HG12 VAL A 8 13.641 5.607 2.641 1.00 0.00 H new ATOM 0 HG13 VAL A 8 12.143 5.333 1.720 1.00 0.00 H new ATOM 0 HG21 VAL A 8 11.932 2.334 2.286 1.00 0.00 H new ATOM 0 HG22 VAL A 8 11.695 3.107 0.701 1.00 0.00 H new ATOM 0 HG23 VAL A 8 12.878 1.789 0.880 1.00 0.00 H new ATOM 125 N LYS A 9 13.461 4.039 -1.893 1.00 0.00 N ATOM 126 CA LYS A 9 12.483 4.299 -2.993 1.00 0.00 C ATOM 127 C LYS A 9 11.396 3.221 -2.971 1.00 0.00 C ATOM 128 O LYS A 9 11.565 2.180 -2.368 1.00 0.00 O ATOM 129 CB LYS A 9 13.278 4.218 -4.298 1.00 0.00 C ATOM 130 CG LYS A 9 14.180 5.455 -4.444 1.00 0.00 C ATOM 131 CD LYS A 9 14.169 6.012 -5.888 1.00 0.00 C ATOM 132 CE LYS A 9 13.736 4.948 -6.908 1.00 0.00 C ATOM 133 NZ LYS A 9 14.572 5.203 -8.115 1.00 0.00 N ATOM 0 H LYS A 9 14.308 3.542 -2.170 1.00 0.00 H new ATOM 0 HA LYS A 9 11.999 5.270 -2.886 1.00 0.00 H new ATOM 0 HB2 LYS A 9 13.885 3.313 -4.308 1.00 0.00 H new ATOM 0 HB3 LYS A 9 12.596 4.154 -5.145 1.00 0.00 H new ATOM 0 HG2 LYS A 9 13.847 6.230 -3.754 1.00 0.00 H new ATOM 0 HG3 LYS A 9 15.201 5.195 -4.163 1.00 0.00 H new ATOM 0 HD2 LYS A 9 13.492 6.865 -5.943 1.00 0.00 H new ATOM 0 HD3 LYS A 9 15.164 6.377 -6.144 1.00 0.00 H new ATOM 0 HE2 LYS A 9 13.899 3.942 -6.521 1.00 0.00 H new ATOM 0 HE3 LYS A 9 12.674 5.033 -7.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 14.332 4.514 -8.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 14.391 6.165 -8.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 15.578 5.108 -7.867 1.00 0.00 H new ATOM 147 N ALA A 10 10.283 3.446 -3.621 1.00 0.00 N ATOM 148 CA ALA A 10 9.207 2.401 -3.614 1.00 0.00 C ATOM 149 C ALA A 10 7.890 2.938 -4.189 1.00 0.00 C ATOM 150 O ALA A 10 7.762 4.102 -4.511 1.00 0.00 O ATOM 151 CB ALA A 10 9.008 2.041 -2.139 1.00 0.00 C ATOM 0 H ALA A 10 10.071 4.293 -4.149 1.00 0.00 H new ATOM 0 HA ALA A 10 9.492 1.547 -4.228 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.233 1.279 -2.052 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.942 1.657 -1.729 1.00 0.00 H new ATOM 0 HB3 ALA A 10 8.707 2.930 -1.585 1.00 0.00 H new ATOM 157 N SER A 11 6.907 2.080 -4.293 1.00 0.00 N ATOM 158 CA SER A 11 5.571 2.499 -4.813 1.00 0.00 C ATOM 159 C SER A 11 4.503 2.098 -3.794 1.00 0.00 C ATOM 160 O SER A 11 4.827 1.601 -2.734 1.00 0.00 O ATOM 161 CB SER A 11 5.393 1.738 -6.126 1.00 0.00 C ATOM 162 OG SER A 11 5.123 0.371 -5.846 1.00 0.00 O ATOM 0 H SER A 11 6.975 1.095 -4.036 1.00 0.00 H new ATOM 0 HA SER A 11 5.489 3.574 -4.973 1.00 0.00 H new ATOM 0 HB2 SER A 11 4.575 2.171 -6.702 1.00 0.00 H new ATOM 0 HB3 SER A 11 6.293 1.825 -6.735 1.00 0.00 H new ATOM 0 HG SER A 11 4.174 0.186 -6.006 1.00 0.00 H new ATOM 168 N HIS A 12 3.238 2.305 -4.066 1.00 0.00 N ATOM 169 CA HIS A 12 2.236 1.910 -3.027 1.00 0.00 C ATOM 170 C HIS A 12 0.808 1.771 -3.574 1.00 0.00 C ATOM 171 O HIS A 12 0.447 2.319 -4.596 1.00 0.00 O ATOM 172 CB HIS A 12 2.291 3.037 -1.996 1.00 0.00 C ATOM 173 CG HIS A 12 1.751 4.301 -2.605 1.00 0.00 C ATOM 174 ND1 HIS A 12 0.437 4.704 -2.429 1.00 0.00 N ATOM 175 CD2 HIS A 12 2.338 5.265 -3.386 1.00 0.00 C ATOM 176 CE1 HIS A 12 0.277 5.864 -3.090 1.00 0.00 C ATOM 177 NE2 HIS A 12 1.406 6.252 -3.692 1.00 0.00 N ATOM 0 H HIS A 12 2.866 2.712 -4.924 1.00 0.00 H new ATOM 0 HA HIS A 12 2.478 0.928 -2.621 1.00 0.00 H new ATOM 0 HB2 HIS A 12 1.708 2.767 -1.115 1.00 0.00 H new ATOM 0 HB3 HIS A 12 3.318 3.191 -1.664 1.00 0.00 H new ATOM 0 HD2 HIS A 12 3.367 5.259 -3.713 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -0.651 6.415 -3.130 1.00 0.00 H new ATOM 0 HE2 HIS A 12 1.553 7.090 -4.254 1.00 0.00 H new ATOM 185 N ILE A 13 0.000 1.046 -2.844 1.00 0.00 N ATOM 186 CA ILE A 13 -1.430 0.832 -3.209 1.00 0.00 C ATOM 187 C ILE A 13 -2.198 0.563 -1.902 1.00 0.00 C ATOM 188 O ILE A 13 -1.604 0.482 -0.846 1.00 0.00 O ATOM 189 CB ILE A 13 -1.444 -0.402 -4.130 1.00 0.00 C ATOM 190 CG1 ILE A 13 -1.262 0.043 -5.590 1.00 0.00 C ATOM 191 CG2 ILE A 13 -2.779 -1.138 -3.987 1.00 0.00 C ATOM 192 CD1 ILE A 13 -1.751 -1.057 -6.545 1.00 0.00 C ATOM 0 H ILE A 13 0.284 0.579 -1.983 1.00 0.00 H new ATOM 0 HA ILE A 13 -1.890 1.681 -3.714 1.00 0.00 H new ATOM 0 HB ILE A 13 -0.630 -1.069 -3.847 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.817 0.964 -5.769 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.212 0.262 -5.783 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -2.785 -2.011 -4.640 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -2.909 -1.458 -2.953 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.594 -0.470 -4.266 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.617 -0.730 -7.576 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.176 -1.968 -6.376 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.807 -1.255 -6.362 1.00 0.00 H new ATOM 204 N LEU A 14 -3.495 0.422 -1.944 1.00 0.00 N ATOM 205 CA LEU A 14 -4.236 0.160 -0.672 1.00 0.00 C ATOM 206 C LEU A 14 -5.652 -0.349 -0.950 1.00 0.00 C ATOM 207 O LEU A 14 -6.332 0.125 -1.836 1.00 0.00 O ATOM 208 CB LEU A 14 -4.288 1.513 0.035 1.00 0.00 C ATOM 209 CG LEU A 14 -5.276 1.448 1.202 1.00 0.00 C ATOM 210 CD1 LEU A 14 -4.531 1.688 2.516 1.00 0.00 C ATOM 211 CD2 LEU A 14 -6.351 2.522 1.020 1.00 0.00 C ATOM 0 H LEU A 14 -4.067 0.475 -2.787 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.747 -0.607 -0.072 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.297 1.782 0.400 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.591 2.290 -0.667 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.746 0.465 1.226 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.235 1.642 3.347 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.766 0.923 2.645 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.061 2.671 2.493 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -7.055 2.476 1.851 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.882 3.506 0.995 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.882 2.350 0.084 1.00 0.00 H new ATOM 223 N ILE A 15 -6.109 -1.301 -0.183 1.00 0.00 N ATOM 224 CA ILE A 15 -7.490 -1.823 -0.396 1.00 0.00 C ATOM 225 C ILE A 15 -8.403 -1.332 0.738 1.00 0.00 C ATOM 226 O ILE A 15 -7.959 -0.677 1.660 1.00 0.00 O ATOM 227 CB ILE A 15 -7.351 -3.352 -0.397 1.00 0.00 C ATOM 228 CG1 ILE A 15 -8.494 -3.968 -1.209 1.00 0.00 C ATOM 229 CG2 ILE A 15 -7.396 -3.889 1.035 1.00 0.00 C ATOM 230 CD1 ILE A 15 -8.280 -5.477 -1.330 1.00 0.00 C ATOM 0 H ILE A 15 -5.590 -1.738 0.578 1.00 0.00 H new ATOM 0 HA ILE A 15 -7.937 -1.477 -1.328 1.00 0.00 H new ATOM 0 HB ILE A 15 -6.394 -3.620 -0.846 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -9.449 -3.763 -0.725 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -8.535 -3.515 -2.200 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -7.296 -4.974 1.020 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -6.578 -3.457 1.611 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -8.346 -3.618 1.495 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -9.094 -5.915 -1.908 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -7.333 -5.671 -1.833 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -8.261 -5.923 -0.335 1.00 0.00 H new ATOM 242 N LYS A 16 -9.673 -1.626 0.675 1.00 0.00 N ATOM 243 CA LYS A 16 -10.598 -1.154 1.748 1.00 0.00 C ATOM 244 C LYS A 16 -10.708 -2.192 2.870 1.00 0.00 C ATOM 245 O LYS A 16 -10.463 -3.366 2.673 1.00 0.00 O ATOM 246 CB LYS A 16 -11.950 -0.970 1.056 1.00 0.00 C ATOM 247 CG LYS A 16 -11.751 -0.308 -0.311 1.00 0.00 C ATOM 248 CD LYS A 16 -10.986 1.006 -0.141 1.00 0.00 C ATOM 249 CE LYS A 16 -9.767 1.010 -1.066 1.00 0.00 C ATOM 250 NZ LYS A 16 -8.683 1.652 -0.272 1.00 0.00 N ATOM 0 H LYS A 16 -10.110 -2.170 -0.069 1.00 0.00 H new ATOM 0 HA LYS A 16 -10.244 -0.233 2.211 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -12.440 -1.936 0.934 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -12.605 -0.356 1.675 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -11.201 -0.977 -0.973 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -12.717 -0.120 -0.779 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -11.635 1.850 -0.374 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -10.670 1.124 0.895 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -9.493 -0.003 -1.362 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.968 1.566 -1.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -7.770 1.219 -0.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -8.653 2.669 -0.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -8.869 1.516 0.742 1.00 0.00 H new ATOM 264 N HIS A 17 -11.082 -1.760 4.047 1.00 0.00 N ATOM 265 CA HIS A 17 -11.220 -2.706 5.194 1.00 0.00 C ATOM 266 C HIS A 17 -11.689 -1.952 6.445 1.00 0.00 C ATOM 267 O HIS A 17 -12.346 -0.933 6.356 1.00 0.00 O ATOM 268 CB HIS A 17 -9.823 -3.292 5.415 1.00 0.00 C ATOM 269 CG HIS A 17 -8.918 -2.248 6.008 1.00 0.00 C ATOM 270 ND1 HIS A 17 -8.936 -0.925 5.592 1.00 0.00 N ATOM 271 CD2 HIS A 17 -7.962 -2.318 6.991 1.00 0.00 C ATOM 272 CE1 HIS A 17 -8.021 -0.261 6.318 1.00 0.00 C ATOM 273 NE2 HIS A 17 -7.398 -1.062 7.185 1.00 0.00 N ATOM 0 H HIS A 17 -11.299 -0.787 4.264 1.00 0.00 H new ATOM 0 HA HIS A 17 -11.955 -3.486 4.993 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -9.882 -4.154 6.079 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -9.414 -3.646 4.469 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -7.690 -3.213 7.531 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -7.814 0.794 6.213 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -6.665 -0.807 7.848 1.00 0.00 H new ATOM 281 N GLN A 18 -11.357 -2.445 7.608 1.00 0.00 N ATOM 282 CA GLN A 18 -11.785 -1.755 8.862 1.00 0.00 C ATOM 283 C GLN A 18 -11.453 -0.264 8.780 1.00 0.00 C ATOM 284 O GLN A 18 -12.046 0.556 9.454 1.00 0.00 O ATOM 285 CB GLN A 18 -10.977 -2.423 9.977 1.00 0.00 C ATOM 286 CG GLN A 18 -11.766 -3.602 10.549 1.00 0.00 C ATOM 287 CD GLN A 18 -12.328 -3.225 11.921 1.00 0.00 C ATOM 288 OE1 GLN A 18 -12.016 -3.855 12.913 1.00 0.00 O ATOM 289 NE2 GLN A 18 -13.150 -2.218 12.022 1.00 0.00 N ATOM 0 H GLN A 18 -10.809 -3.294 7.745 1.00 0.00 H new ATOM 0 HA GLN A 18 -12.859 -1.834 9.033 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -10.019 -2.768 9.588 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -10.760 -1.701 10.765 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -12.578 -3.871 9.874 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -11.121 -4.476 10.637 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -13.413 -1.689 11.191 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -13.530 -1.960 12.932 1.00 0.00 H new ATOM 298 N GLY A 19 -10.507 0.090 7.958 1.00 0.00 N ATOM 299 CA GLY A 19 -10.124 1.523 7.823 1.00 0.00 C ATOM 300 C GLY A 19 -11.380 2.390 7.751 1.00 0.00 C ATOM 301 O GLY A 19 -12.438 1.939 7.359 1.00 0.00 O ATOM 0 H GLY A 19 -9.979 -0.555 7.370 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.510 1.826 8.671 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -9.521 1.665 6.926 1.00 0.00 H new ATOM 594 N THR A 37 -14.177 -4.984 5.233 1.00 0.00 N ATOM 595 CA THR A 37 -13.209 -6.094 5.461 1.00 0.00 C ATOM 596 C THR A 37 -12.321 -5.739 6.660 1.00 0.00 C ATOM 597 O THR A 37 -11.789 -4.655 6.741 1.00 0.00 O ATOM 598 CB THR A 37 -12.399 -6.175 4.152 1.00 0.00 C ATOM 599 OG1 THR A 37 -12.930 -7.214 3.342 1.00 0.00 O ATOM 600 CG2 THR A 37 -10.915 -6.462 4.432 1.00 0.00 C ATOM 0 HA THR A 37 -13.680 -7.050 5.689 1.00 0.00 H new ATOM 0 HB THR A 37 -12.472 -5.215 3.641 1.00 0.00 H new ATOM 0 HG1 THR A 37 -12.421 -7.270 2.507 1.00 0.00 H new ATOM 0 HG21 THR A 37 -10.370 -6.513 3.489 1.00 0.00 H new ATOM 0 HG22 THR A 37 -10.500 -5.664 5.048 1.00 0.00 H new ATOM 0 HG23 THR A 37 -10.821 -7.412 4.958 1.00 0.00 H new ATOM 608 N THR A 38 -12.161 -6.633 7.594 1.00 0.00 N ATOM 609 CA THR A 38 -11.309 -6.314 8.775 1.00 0.00 C ATOM 610 C THR A 38 -9.899 -6.879 8.583 1.00 0.00 C ATOM 611 O THR A 38 -9.603 -7.486 7.579 1.00 0.00 O ATOM 612 CB THR A 38 -12.003 -6.984 9.961 1.00 0.00 C ATOM 613 OG1 THR A 38 -12.273 -8.341 9.641 1.00 0.00 O ATOM 614 CG2 THR A 38 -13.316 -6.261 10.264 1.00 0.00 C ATOM 0 H THR A 38 -12.579 -7.564 7.593 1.00 0.00 H new ATOM 0 HA THR A 38 -11.199 -5.240 8.924 1.00 0.00 H new ATOM 0 HB THR A 38 -11.355 -6.936 10.836 1.00 0.00 H new ATOM 0 HG1 THR A 38 -12.716 -8.774 10.400 1.00 0.00 H new ATOM 0 HG21 THR A 38 -13.809 -6.741 11.110 1.00 0.00 H new ATOM 0 HG22 THR A 38 -13.110 -5.219 10.508 1.00 0.00 H new ATOM 0 HG23 THR A 38 -13.967 -6.308 9.391 1.00 0.00 H new ATOM 622 N ARG A 39 -9.027 -6.679 9.536 1.00 0.00 N ATOM 623 CA ARG A 39 -7.636 -7.205 9.395 1.00 0.00 C ATOM 624 C ARG A 39 -7.662 -8.612 8.796 1.00 0.00 C ATOM 625 O ARG A 39 -6.873 -8.947 7.935 1.00 0.00 O ATOM 626 CB ARG A 39 -7.071 -7.233 10.816 1.00 0.00 C ATOM 627 CG ARG A 39 -7.903 -8.183 11.678 1.00 0.00 C ATOM 628 CD ARG A 39 -7.432 -8.099 13.131 1.00 0.00 C ATOM 629 NE ARG A 39 -7.176 -9.510 13.533 1.00 0.00 N ATOM 630 CZ ARG A 39 -6.363 -9.770 14.520 1.00 0.00 C ATOM 631 NH1 ARG A 39 -5.947 -8.807 15.296 1.00 0.00 N ATOM 632 NH2 ARG A 39 -5.967 -10.995 14.734 1.00 0.00 N ATOM 0 H ARG A 39 -9.216 -6.176 10.403 1.00 0.00 H new ATOM 0 HA ARG A 39 -7.028 -6.590 8.732 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.031 -7.558 10.799 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -7.085 -6.231 11.244 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -8.959 -7.921 11.611 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -7.804 -9.205 11.311 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -6.530 -7.493 13.220 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -8.189 -7.638 13.766 1.00 0.00 H new ATOM 0 HE ARG A 39 -7.636 -10.273 13.037 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -6.257 -7.849 15.132 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -5.312 -9.012 16.067 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -6.293 -11.749 14.130 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -5.331 -11.198 15.506 1.00 0.00 H new ATOM 646 N GLU A 40 -8.573 -9.433 9.235 1.00 0.00 N ATOM 647 CA GLU A 40 -8.663 -10.813 8.681 1.00 0.00 C ATOM 648 C GLU A 40 -9.190 -10.752 7.248 1.00 0.00 C ATOM 649 O GLU A 40 -8.595 -11.275 6.327 1.00 0.00 O ATOM 650 CB GLU A 40 -9.660 -11.533 9.585 1.00 0.00 C ATOM 651 CG GLU A 40 -9.647 -13.031 9.275 1.00 0.00 C ATOM 652 CD GLU A 40 -8.254 -13.600 9.553 1.00 0.00 C ATOM 653 OE1 GLU A 40 -7.726 -13.324 10.618 1.00 0.00 O ATOM 654 OE2 GLU A 40 -7.741 -14.302 8.698 1.00 0.00 O ATOM 0 H GLU A 40 -9.260 -9.209 9.954 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.699 -11.321 8.654 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.404 -11.366 10.631 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.661 -11.129 9.433 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -10.390 -13.545 9.885 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.919 -13.199 8.233 1.00 0.00 H new ATOM 661 N ALA A 41 -10.303 -10.107 7.052 1.00 0.00 N ATOM 662 CA ALA A 41 -10.863 -9.998 5.677 1.00 0.00 C ATOM 663 C ALA A 41 -9.902 -9.189 4.805 1.00 0.00 C ATOM 664 O ALA A 41 -9.862 -9.336 3.600 1.00 0.00 O ATOM 665 CB ALA A 41 -12.199 -9.272 5.851 1.00 0.00 C ATOM 0 H ALA A 41 -10.849 -9.651 7.782 1.00 0.00 H new ATOM 0 HA ALA A 41 -11.000 -10.964 5.192 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.677 -9.152 4.879 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.848 -9.855 6.505 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -12.025 -8.291 6.294 1.00 0.00 H new ATOM 671 N ALA A 42 -9.112 -8.351 5.417 1.00 0.00 N ATOM 672 CA ALA A 42 -8.130 -7.543 4.646 1.00 0.00 C ATOM 673 C ALA A 42 -6.929 -8.418 4.310 1.00 0.00 C ATOM 674 O ALA A 42 -6.524 -8.528 3.170 1.00 0.00 O ATOM 675 CB ALA A 42 -7.725 -6.404 5.582 1.00 0.00 C ATOM 0 H ALA A 42 -9.106 -8.191 6.424 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.534 -7.159 3.709 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.999 -5.763 5.082 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.606 -5.819 5.845 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.280 -6.818 6.487 1.00 0.00 H new ATOM 681 N VAL A 43 -6.370 -9.064 5.295 1.00 0.00 N ATOM 682 CA VAL A 43 -5.212 -9.953 5.022 1.00 0.00 C ATOM 683 C VAL A 43 -5.643 -11.009 4.007 1.00 0.00 C ATOM 684 O VAL A 43 -4.857 -11.483 3.211 1.00 0.00 O ATOM 685 CB VAL A 43 -4.838 -10.582 6.372 1.00 0.00 C ATOM 686 CG1 VAL A 43 -5.816 -11.704 6.736 1.00 0.00 C ATOM 687 CG2 VAL A 43 -3.419 -11.152 6.289 1.00 0.00 C ATOM 0 H VAL A 43 -6.664 -9.014 6.270 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.354 -9.426 4.605 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.888 -9.813 7.142 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -5.533 -12.136 7.696 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.826 -11.299 6.804 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.786 -12.476 5.967 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.150 -11.599 7.246 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.377 -11.912 5.509 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.718 -10.351 6.053 1.00 0.00 H new ATOM 697 N GLU A 44 -6.904 -11.358 4.014 1.00 0.00 N ATOM 698 CA GLU A 44 -7.404 -12.357 3.033 1.00 0.00 C ATOM 699 C GLU A 44 -7.466 -11.698 1.658 1.00 0.00 C ATOM 700 O GLU A 44 -7.079 -12.268 0.658 1.00 0.00 O ATOM 701 CB GLU A 44 -8.807 -12.725 3.516 1.00 0.00 C ATOM 702 CG GLU A 44 -8.780 -14.111 4.159 1.00 0.00 C ATOM 703 CD GLU A 44 -10.055 -14.870 3.789 1.00 0.00 C ATOM 704 OE1 GLU A 44 -11.123 -14.406 4.153 1.00 0.00 O ATOM 705 OE2 GLU A 44 -9.941 -15.901 3.148 1.00 0.00 O ATOM 0 H GLU A 44 -7.606 -10.992 4.658 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.768 -13.239 2.957 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -9.161 -11.986 4.235 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -9.505 -12.715 2.679 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.904 -14.664 3.820 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -8.700 -14.020 5.242 1.00 0.00 H new ATOM 712 N GLN A 45 -7.939 -10.483 1.616 1.00 0.00 N ATOM 713 CA GLN A 45 -8.020 -9.751 0.323 1.00 0.00 C ATOM 714 C GLN A 45 -6.609 -9.455 -0.185 1.00 0.00 C ATOM 715 O GLN A 45 -6.323 -9.562 -1.361 1.00 0.00 O ATOM 716 CB GLN A 45 -8.761 -8.453 0.653 1.00 0.00 C ATOM 717 CG GLN A 45 -10.137 -8.464 -0.015 1.00 0.00 C ATOM 718 CD GLN A 45 -9.966 -8.560 -1.531 1.00 0.00 C ATOM 719 OE1 GLN A 45 -8.858 -8.604 -2.028 1.00 0.00 O ATOM 720 NE2 GLN A 45 -11.025 -8.595 -2.294 1.00 0.00 N ATOM 0 H GLN A 45 -8.275 -9.964 2.427 1.00 0.00 H new ATOM 0 HA GLN A 45 -8.530 -10.319 -0.455 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -8.870 -8.349 1.733 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -8.184 -7.595 0.307 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -10.724 -9.307 0.350 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -10.686 -7.558 0.243 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -11.955 -8.558 -1.877 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -10.922 -8.659 -3.307 1.00 0.00 H new ATOM 729 N LEU A 46 -5.722 -9.095 0.700 1.00 0.00 N ATOM 730 CA LEU A 46 -4.324 -8.805 0.277 1.00 0.00 C ATOM 731 C LEU A 46 -3.572 -10.120 0.066 1.00 0.00 C ATOM 732 O LEU A 46 -2.554 -10.167 -0.594 1.00 0.00 O ATOM 733 CB LEU A 46 -3.711 -8.001 1.425 1.00 0.00 C ATOM 734 CG LEU A 46 -3.497 -6.555 0.971 1.00 0.00 C ATOM 735 CD1 LEU A 46 -4.849 -5.921 0.639 1.00 0.00 C ATOM 736 CD2 LEU A 46 -2.826 -5.759 2.093 1.00 0.00 C ATOM 0 H LEU A 46 -5.905 -8.989 1.698 1.00 0.00 H new ATOM 0 HA LEU A 46 -4.275 -8.252 -0.661 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.368 -8.028 2.295 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.762 -8.443 1.728 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.860 -6.544 0.087 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.698 -4.891 0.316 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.329 -6.486 -0.160 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.484 -5.934 1.525 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.674 -4.730 1.768 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.462 -5.770 2.978 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.863 -6.209 2.333 1.00 0.00 H new ATOM 748 N LYS A 47 -4.076 -11.195 0.609 1.00 0.00 N ATOM 749 CA LYS A 47 -3.397 -12.507 0.418 1.00 0.00 C ATOM 750 C LYS A 47 -3.467 -12.890 -1.058 1.00 0.00 C ATOM 751 O LYS A 47 -2.476 -13.227 -1.675 1.00 0.00 O ATOM 752 CB LYS A 47 -4.184 -13.497 1.276 1.00 0.00 C ATOM 753 CG LYS A 47 -3.275 -14.052 2.375 1.00 0.00 C ATOM 754 CD LYS A 47 -4.129 -14.707 3.462 1.00 0.00 C ATOM 755 CE LYS A 47 -3.757 -14.121 4.826 1.00 0.00 C ATOM 756 NZ LYS A 47 -3.801 -15.274 5.766 1.00 0.00 N ATOM 0 H LYS A 47 -4.925 -11.221 1.174 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.346 -12.488 0.705 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.049 -13.004 1.719 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.563 -14.310 0.657 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.581 -14.780 1.955 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.674 -13.250 2.804 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.187 -14.539 3.259 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.971 -15.786 3.463 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.766 -13.668 4.804 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.458 -13.341 5.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.557 -14.951 6.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.758 -15.681 5.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.119 -15.997 5.460 1.00 0.00 H new ATOM 770 N SER A 48 -4.634 -12.813 -1.633 1.00 0.00 N ATOM 771 CA SER A 48 -4.779 -13.141 -3.078 1.00 0.00 C ATOM 772 C SER A 48 -4.083 -12.061 -3.902 1.00 0.00 C ATOM 773 O SER A 48 -3.472 -12.334 -4.916 1.00 0.00 O ATOM 774 CB SER A 48 -6.283 -13.138 -3.342 1.00 0.00 C ATOM 775 OG SER A 48 -6.514 -13.178 -4.744 1.00 0.00 O ATOM 0 H SER A 48 -5.496 -12.536 -1.163 1.00 0.00 H new ATOM 0 HA SER A 48 -4.334 -14.100 -3.344 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.750 -13.997 -2.860 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.737 -12.245 -2.912 1.00 0.00 H new ATOM 0 HG SER A 48 -7.479 -13.178 -4.917 1.00 0.00 H new ATOM 781 N ILE A 49 -4.152 -10.835 -3.459 1.00 0.00 N ATOM 782 CA ILE A 49 -3.473 -9.745 -4.207 1.00 0.00 C ATOM 783 C ILE A 49 -2.015 -10.149 -4.423 1.00 0.00 C ATOM 784 O ILE A 49 -1.515 -10.143 -5.528 1.00 0.00 O ATOM 785 CB ILE A 49 -3.620 -8.491 -3.319 1.00 0.00 C ATOM 786 CG1 ILE A 49 -4.201 -7.349 -4.159 1.00 0.00 C ATOM 787 CG2 ILE A 49 -2.266 -8.051 -2.748 1.00 0.00 C ATOM 788 CD1 ILE A 49 -3.164 -6.899 -5.189 1.00 0.00 C ATOM 0 H ILE A 49 -4.647 -10.544 -2.616 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.896 -9.550 -5.193 1.00 0.00 H new ATOM 0 HB ILE A 49 -4.282 -8.734 -2.488 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -5.110 -7.679 -4.662 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -4.477 -6.514 -3.516 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.403 -7.166 -2.127 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.847 -8.856 -2.144 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.584 -7.818 -3.566 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -3.575 -6.086 -5.788 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.267 -6.553 -4.675 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.910 -7.736 -5.839 1.00 0.00 H new ATOM 800 N ARG A 50 -1.341 -10.537 -3.376 1.00 0.00 N ATOM 801 CA ARG A 50 0.069 -10.983 -3.535 1.00 0.00 C ATOM 802 C ARG A 50 0.102 -12.046 -4.628 1.00 0.00 C ATOM 803 O ARG A 50 0.857 -11.966 -5.575 1.00 0.00 O ATOM 804 CB ARG A 50 0.458 -11.583 -2.185 1.00 0.00 C ATOM 805 CG ARG A 50 1.809 -12.290 -2.309 1.00 0.00 C ATOM 806 CD ARG A 50 1.619 -13.796 -2.121 1.00 0.00 C ATOM 807 NE ARG A 50 2.940 -14.394 -2.463 1.00 0.00 N ATOM 808 CZ ARG A 50 4.023 -13.963 -1.876 1.00 0.00 C ATOM 809 NH1 ARG A 50 4.533 -12.810 -2.213 1.00 0.00 N ATOM 810 NH2 ARG A 50 4.593 -14.685 -0.950 1.00 0.00 N ATOM 0 H ARG A 50 -1.704 -10.564 -2.423 1.00 0.00 H new ATOM 0 HA ARG A 50 0.752 -10.180 -3.813 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.514 -10.799 -1.430 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.305 -12.289 -1.856 1.00 0.00 H new ATOM 0 HG2 ARG A 50 2.248 -12.088 -3.286 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.503 -11.905 -1.562 1.00 0.00 H new ATOM 0 HD2 ARG A 50 1.331 -14.033 -1.097 1.00 0.00 H new ATOM 0 HD3 ARG A 50 0.832 -14.179 -2.770 1.00 0.00 H new ATOM 0 HE ARG A 50 2.998 -15.140 -3.156 1.00 0.00 H new ATOM 0 HH11 ARG A 50 4.085 -12.246 -2.935 1.00 0.00 H new ATOM 0 HH12 ARG A 50 5.379 -12.473 -1.754 1.00 0.00 H new ATOM 0 HH21 ARG A 50 4.192 -15.585 -0.686 1.00 0.00 H new ATOM 0 HH22 ARG A 50 5.439 -14.349 -0.490 1.00 0.00 H new ATOM 824 N GLU A 51 -0.755 -13.023 -4.512 1.00 0.00 N ATOM 825 CA GLU A 51 -0.833 -14.082 -5.551 1.00 0.00 C ATOM 826 C GLU A 51 -1.075 -13.400 -6.893 1.00 0.00 C ATOM 827 O GLU A 51 -0.287 -13.483 -7.808 1.00 0.00 O ATOM 828 CB GLU A 51 -2.037 -14.932 -5.113 1.00 0.00 C ATOM 829 CG GLU A 51 -2.901 -15.349 -6.310 1.00 0.00 C ATOM 830 CD GLU A 51 -2.019 -15.984 -7.386 1.00 0.00 C ATOM 831 OE1 GLU A 51 -0.834 -16.133 -7.139 1.00 0.00 O ATOM 832 OE2 GLU A 51 -2.544 -16.311 -8.438 1.00 0.00 O ATOM 0 H GLU A 51 -1.408 -13.132 -3.736 1.00 0.00 H new ATOM 0 HA GLU A 51 0.063 -14.694 -5.656 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.684 -15.822 -4.591 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -2.644 -14.367 -4.405 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -3.666 -16.056 -5.990 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.419 -14.481 -6.717 1.00 0.00 H new ATOM 839 N ASP A 52 -2.158 -12.704 -7.003 1.00 0.00 N ATOM 840 CA ASP A 52 -2.435 -11.985 -8.275 1.00 0.00 C ATOM 841 C ASP A 52 -1.162 -11.246 -8.693 1.00 0.00 C ATOM 842 O ASP A 52 -0.632 -11.458 -9.765 1.00 0.00 O ATOM 843 CB ASP A 52 -3.560 -11.001 -7.946 1.00 0.00 C ATOM 844 CG ASP A 52 -4.914 -11.673 -8.184 1.00 0.00 C ATOM 845 OD1 ASP A 52 -5.066 -12.305 -9.217 1.00 0.00 O ATOM 846 OD2 ASP A 52 -5.775 -11.545 -7.329 1.00 0.00 O ATOM 0 H ASP A 52 -2.865 -12.598 -6.275 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.726 -12.644 -9.093 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -3.481 -10.676 -6.909 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.471 -10.110 -8.567 1.00 0.00 H new ATOM 851 N ILE A 53 -0.640 -10.411 -7.831 1.00 0.00 N ATOM 852 CA ILE A 53 0.626 -9.702 -8.165 1.00 0.00 C ATOM 853 C ILE A 53 1.679 -10.750 -8.524 1.00 0.00 C ATOM 854 O ILE A 53 2.577 -10.511 -9.307 1.00 0.00 O ATOM 855 CB ILE A 53 1.023 -8.953 -6.892 1.00 0.00 C ATOM 856 CG1 ILE A 53 -0.079 -7.953 -6.520 1.00 0.00 C ATOM 857 CG2 ILE A 53 2.337 -8.206 -7.128 1.00 0.00 C ATOM 858 CD1 ILE A 53 -0.011 -6.732 -7.443 1.00 0.00 C ATOM 0 H ILE A 53 -1.035 -10.192 -6.916 1.00 0.00 H new ATOM 0 HA ILE A 53 0.526 -9.015 -9.005 1.00 0.00 H new ATOM 0 HB ILE A 53 1.153 -9.665 -6.077 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.056 -8.428 -6.603 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.036 -7.641 -5.482 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.620 -7.672 -6.221 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.119 -8.919 -7.388 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.209 -7.494 -7.943 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.797 -6.027 -7.172 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.961 -6.250 -7.338 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.149 -7.049 -8.477 1.00 0.00 H new ATOM 870 N VAL A 54 1.550 -11.924 -7.965 1.00 0.00 N ATOM 871 CA VAL A 54 2.512 -13.017 -8.274 1.00 0.00 C ATOM 872 C VAL A 54 2.156 -13.614 -9.640 1.00 0.00 C ATOM 873 O VAL A 54 2.899 -13.495 -10.594 1.00 0.00 O ATOM 874 CB VAL A 54 2.329 -14.039 -7.136 1.00 0.00 C ATOM 875 CG1 VAL A 54 2.617 -15.458 -7.630 1.00 0.00 C ATOM 876 CG2 VAL A 54 3.285 -13.705 -5.994 1.00 0.00 C ATOM 0 H VAL A 54 0.814 -12.172 -7.304 1.00 0.00 H new ATOM 0 HA VAL A 54 3.549 -12.686 -8.331 1.00 0.00 H new ATOM 0 HB VAL A 54 1.297 -13.989 -6.789 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.482 -16.163 -6.810 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.932 -15.707 -8.440 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.643 -15.516 -7.993 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.156 -14.428 -5.188 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.312 -13.745 -6.356 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.070 -12.704 -5.621 1.00 0.00 H new ATOM 886 N SER A 55 1.014 -14.235 -9.743 1.00 0.00 N ATOM 887 CA SER A 55 0.592 -14.816 -11.050 1.00 0.00 C ATOM 888 C SER A 55 -0.353 -13.850 -11.767 1.00 0.00 C ATOM 889 O SER A 55 -1.203 -13.234 -11.155 1.00 0.00 O ATOM 890 CB SER A 55 -0.133 -16.116 -10.711 1.00 0.00 C ATOM 891 OG SER A 55 -0.032 -16.369 -9.316 1.00 0.00 O ATOM 0 H SER A 55 0.353 -14.366 -8.977 1.00 0.00 H new ATOM 0 HA SER A 55 1.441 -14.994 -11.710 1.00 0.00 H new ATOM 0 HB2 SER A 55 -1.181 -16.047 -11.003 1.00 0.00 H new ATOM 0 HB3 SER A 55 0.301 -16.943 -11.273 1.00 0.00 H new ATOM 0 HG SER A 55 -0.486 -17.211 -9.103 1.00 0.00 H new ATOM 897 N GLY A 56 -0.219 -13.713 -13.055 1.00 0.00 N ATOM 898 CA GLY A 56 -1.114 -12.789 -13.801 1.00 0.00 C ATOM 899 C GLY A 56 -0.341 -11.525 -14.165 1.00 0.00 C ATOM 900 O GLY A 56 0.046 -10.753 -13.309 1.00 0.00 O ATOM 0 H GLY A 56 0.472 -14.202 -13.624 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.486 -13.274 -14.703 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.983 -12.536 -13.193 1.00 0.00 H new ATOM 904 N LYS A 57 -0.108 -11.306 -15.427 1.00 0.00 N ATOM 905 CA LYS A 57 0.645 -10.090 -15.848 1.00 0.00 C ATOM 906 C LYS A 57 -0.236 -8.842 -15.722 1.00 0.00 C ATOM 907 O LYS A 57 -0.361 -8.064 -16.647 1.00 0.00 O ATOM 908 CB LYS A 57 1.008 -10.344 -17.310 1.00 0.00 C ATOM 909 CG LYS A 57 2.003 -9.283 -17.783 1.00 0.00 C ATOM 910 CD LYS A 57 2.841 -9.848 -18.932 1.00 0.00 C ATOM 911 CE LYS A 57 3.444 -8.696 -19.738 1.00 0.00 C ATOM 912 NZ LYS A 57 2.275 -7.926 -20.251 1.00 0.00 N ATOM 0 H LYS A 57 -0.406 -11.916 -16.188 1.00 0.00 H new ATOM 0 HA LYS A 57 1.525 -9.915 -15.229 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.441 -11.338 -17.420 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.111 -10.317 -17.928 1.00 0.00 H new ATOM 0 HG2 LYS A 57 1.471 -8.390 -18.111 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.651 -8.983 -16.959 1.00 0.00 H new ATOM 0 HD2 LYS A 57 3.633 -10.485 -18.539 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.221 -10.471 -19.576 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.084 -8.072 -19.115 1.00 0.00 H new ATOM 0 HE3 LYS A 57 4.061 -9.068 -20.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.439 -7.668 -21.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.417 -8.510 -20.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.153 -7.062 -19.685 1.00 0.00 H new ATOM 926 N ALA A 58 -0.850 -8.645 -14.587 1.00 0.00 N ATOM 927 CA ALA A 58 -1.721 -7.454 -14.404 1.00 0.00 C ATOM 928 C ALA A 58 -0.870 -6.194 -14.207 1.00 0.00 C ATOM 929 O ALA A 58 0.337 -6.262 -14.092 1.00 0.00 O ATOM 930 CB ALA A 58 -2.517 -7.769 -13.142 1.00 0.00 C ATOM 0 H ALA A 58 -0.784 -9.261 -13.777 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.361 -7.262 -15.265 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.193 -6.943 -12.923 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -3.095 -8.681 -13.294 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.832 -7.909 -12.305 1.00 0.00 H new ATOM 936 N ASN A 59 -1.491 -5.046 -14.166 1.00 0.00 N ATOM 937 CA ASN A 59 -0.713 -3.787 -13.975 1.00 0.00 C ATOM 938 C ASN A 59 -0.666 -3.412 -12.490 1.00 0.00 C ATOM 939 O ASN A 59 -1.052 -4.183 -11.635 1.00 0.00 O ATOM 940 CB ASN A 59 -1.472 -2.725 -14.772 1.00 0.00 C ATOM 941 CG ASN A 59 -0.983 -2.725 -16.221 1.00 0.00 C ATOM 942 OD1 ASN A 59 0.101 -2.259 -16.510 1.00 0.00 O ATOM 943 ND2 ASN A 59 -1.745 -3.231 -17.153 1.00 0.00 N ATOM 0 H ASN A 59 -2.500 -4.925 -14.256 1.00 0.00 H new ATOM 0 HA ASN A 59 0.320 -3.887 -14.310 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.543 -2.927 -14.739 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -1.319 -1.742 -14.326 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -1.430 -3.235 -18.123 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -2.655 -3.622 -16.911 1.00 0.00 H new ATOM 950 N PHE A 60 -0.194 -2.235 -12.178 1.00 0.00 N ATOM 951 CA PHE A 60 -0.122 -1.816 -10.748 1.00 0.00 C ATOM 952 C PHE A 60 -0.429 -0.322 -10.610 1.00 0.00 C ATOM 953 O PHE A 60 -1.118 0.100 -9.702 1.00 0.00 O ATOM 954 CB PHE A 60 1.317 -2.108 -10.321 1.00 0.00 C ATOM 955 CG PHE A 60 1.524 -1.649 -8.897 1.00 0.00 C ATOM 956 CD1 PHE A 60 1.599 -0.282 -8.607 1.00 0.00 C ATOM 957 CD2 PHE A 60 1.642 -2.590 -7.869 1.00 0.00 C ATOM 958 CE1 PHE A 60 1.792 0.144 -7.287 1.00 0.00 C ATOM 959 CE2 PHE A 60 1.835 -2.165 -6.549 1.00 0.00 C ATOM 960 CZ PHE A 60 1.911 -0.797 -6.258 1.00 0.00 C ATOM 0 H PHE A 60 0.144 -1.546 -12.850 1.00 0.00 H new ATOM 0 HA PHE A 60 -0.848 -2.344 -10.130 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.522 -3.175 -10.404 1.00 0.00 H new ATOM 0 HB3 PHE A 60 2.015 -1.597 -10.984 1.00 0.00 H new ATOM 0 HD1 PHE A 60 1.508 0.444 -9.401 1.00 0.00 H new ATOM 0 HD2 PHE A 60 1.584 -3.645 -8.093 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.849 1.199 -7.063 1.00 0.00 H new ATOM 0 HE2 PHE A 60 1.925 -2.892 -5.755 1.00 0.00 H new ATOM 0 HZ PHE A 60 2.061 -0.469 -5.240 1.00 0.00 H new ATOM 970 N GLU A 61 0.078 0.481 -11.503 1.00 0.00 N ATOM 971 CA GLU A 61 -0.183 1.947 -11.423 1.00 0.00 C ATOM 972 C GLU A 61 -1.688 2.222 -11.485 1.00 0.00 C ATOM 973 O GLU A 61 -2.319 2.498 -10.484 1.00 0.00 O ATOM 974 CB GLU A 61 0.530 2.546 -12.637 1.00 0.00 C ATOM 975 CG GLU A 61 2.043 2.521 -12.403 1.00 0.00 C ATOM 976 CD GLU A 61 2.762 3.089 -13.629 1.00 0.00 C ATOM 977 OE1 GLU A 61 2.748 4.298 -13.793 1.00 0.00 O ATOM 978 OE2 GLU A 61 3.316 2.305 -14.382 1.00 0.00 O ATOM 0 H GLU A 61 0.662 0.186 -12.286 1.00 0.00 H new ATOM 0 HA GLU A 61 0.177 2.380 -10.490 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.281 1.980 -13.535 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.193 3.570 -12.802 1.00 0.00 H new ATOM 0 HG2 GLU A 61 2.294 3.106 -11.518 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.375 1.500 -12.215 1.00 0.00 H new ATOM 985 N GLU A 62 -2.271 2.144 -12.651 1.00 0.00 N ATOM 986 CA GLU A 62 -3.737 2.395 -12.768 1.00 0.00 C ATOM 987 C GLU A 62 -4.473 1.690 -11.626 1.00 0.00 C ATOM 988 O GLU A 62 -5.355 2.250 -11.006 1.00 0.00 O ATOM 989 CB GLU A 62 -4.128 1.798 -14.122 1.00 0.00 C ATOM 990 CG GLU A 62 -5.546 2.237 -14.492 1.00 0.00 C ATOM 991 CD GLU A 62 -5.482 3.506 -15.344 1.00 0.00 C ATOM 992 OE1 GLU A 62 -4.390 4.020 -15.524 1.00 0.00 O ATOM 993 OE2 GLU A 62 -6.525 3.942 -15.803 1.00 0.00 O ATOM 0 H GLU A 62 -1.797 1.918 -13.526 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.993 3.453 -12.706 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.425 2.122 -14.889 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.074 0.710 -14.079 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.052 1.443 -15.041 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.128 2.421 -13.589 1.00 0.00 H new ATOM 1000 N VAL A 63 -4.106 0.471 -11.335 1.00 0.00 N ATOM 1001 CA VAL A 63 -4.776 -0.258 -10.221 1.00 0.00 C ATOM 1002 C VAL A 63 -4.686 0.576 -8.943 1.00 0.00 C ATOM 1003 O VAL A 63 -5.642 0.714 -8.206 1.00 0.00 O ATOM 1004 CB VAL A 63 -3.990 -1.563 -10.069 1.00 0.00 C ATOM 1005 CG1 VAL A 63 -4.288 -2.189 -8.705 1.00 0.00 C ATOM 1006 CG2 VAL A 63 -4.401 -2.538 -11.171 1.00 0.00 C ATOM 0 H VAL A 63 -3.374 -0.049 -11.819 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.832 -0.446 -10.415 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.924 -1.350 -10.146 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -3.727 -3.118 -8.600 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.995 -1.497 -7.915 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -5.355 -2.399 -8.626 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -3.841 -3.467 -11.062 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.468 -2.746 -11.093 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.187 -2.097 -12.145 1.00 0.00 H new ATOM 1016 N ALA A 64 -3.540 1.138 -8.687 1.00 0.00 N ATOM 1017 CA ALA A 64 -3.370 1.974 -7.466 1.00 0.00 C ATOM 1018 C ALA A 64 -4.335 3.159 -7.506 1.00 0.00 C ATOM 1019 O ALA A 64 -5.140 3.349 -6.616 1.00 0.00 O ATOM 1020 CB ALA A 64 -1.924 2.463 -7.523 1.00 0.00 C ATOM 0 H ALA A 64 -2.709 1.055 -9.273 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.579 1.420 -6.550 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.717 3.089 -6.655 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.250 1.606 -7.522 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.772 3.043 -8.433 1.00 0.00 H new ATOM 1026 N THR A 65 -4.261 3.960 -8.534 1.00 0.00 N ATOM 1027 CA THR A 65 -5.175 5.132 -8.629 1.00 0.00 C ATOM 1028 C THR A 65 -6.593 4.726 -8.220 1.00 0.00 C ATOM 1029 O THR A 65 -7.374 5.535 -7.762 1.00 0.00 O ATOM 1030 CB THR A 65 -5.141 5.546 -10.100 1.00 0.00 C ATOM 1031 OG1 THR A 65 -4.069 4.884 -10.758 1.00 0.00 O ATOM 1032 CG2 THR A 65 -4.948 7.059 -10.204 1.00 0.00 C ATOM 0 H THR A 65 -3.608 3.853 -9.310 1.00 0.00 H new ATOM 0 HA THR A 65 -4.872 5.946 -7.971 1.00 0.00 H new ATOM 0 HB THR A 65 -6.083 5.268 -10.573 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.844 5.365 -11.582 1.00 0.00 H new ATOM 0 HG21 THR A 65 -4.924 7.351 -11.254 1.00 0.00 H new ATOM 0 HG22 THR A 65 -5.774 7.566 -9.705 1.00 0.00 H new ATOM 0 HG23 THR A 65 -4.009 7.340 -9.728 1.00 0.00 H new ATOM 1040 N ARG A 66 -6.933 3.478 -8.387 1.00 0.00 N ATOM 1041 CA ARG A 66 -8.300 3.018 -8.007 1.00 0.00 C ATOM 1042 C ARG A 66 -8.290 2.389 -6.611 1.00 0.00 C ATOM 1043 O ARG A 66 -9.009 2.801 -5.722 1.00 0.00 O ATOM 1044 CB ARG A 66 -8.673 1.974 -9.060 1.00 0.00 C ATOM 1045 CG ARG A 66 -10.194 1.927 -9.215 1.00 0.00 C ATOM 1046 CD ARG A 66 -10.609 2.779 -10.416 1.00 0.00 C ATOM 1047 NE ARG A 66 -11.952 3.315 -10.063 1.00 0.00 N ATOM 1048 CZ ARG A 66 -12.375 4.420 -10.611 1.00 0.00 C ATOM 1049 NH1 ARG A 66 -12.373 4.547 -11.910 1.00 0.00 N ATOM 1050 NH2 ARG A 66 -12.801 5.397 -9.859 1.00 0.00 N ATOM 0 H ARG A 66 -6.323 2.756 -8.770 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.013 3.842 -7.974 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.207 2.221 -10.014 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -8.296 0.994 -8.766 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -10.525 0.898 -9.354 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -10.674 2.297 -8.309 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -9.897 3.585 -10.593 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -10.649 2.183 -11.328 1.00 0.00 H new ATOM 0 HE ARG A 66 -12.540 2.819 -9.394 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -12.041 3.782 -12.497 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -12.704 5.411 -12.338 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -12.803 5.296 -8.844 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -13.132 6.262 -10.286 1.00 0.00 H new ATOM 1064 N VAL A 67 -7.489 1.378 -6.427 1.00 0.00 N ATOM 1065 CA VAL A 67 -7.427 0.688 -5.106 1.00 0.00 C ATOM 1066 C VAL A 67 -6.273 1.223 -4.256 1.00 0.00 C ATOM 1067 O VAL A 67 -5.369 0.496 -3.905 1.00 0.00 O ATOM 1068 CB VAL A 67 -7.180 -0.779 -5.451 1.00 0.00 C ATOM 1069 CG1 VAL A 67 -5.830 -0.911 -6.157 1.00 0.00 C ATOM 1070 CG2 VAL A 67 -7.160 -1.612 -4.169 1.00 0.00 C ATOM 0 H VAL A 67 -6.869 0.996 -7.141 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.338 0.842 -4.527 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.976 -1.136 -6.104 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.650 -1.957 -6.405 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -5.838 -0.317 -7.071 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -5.039 -0.553 -5.499 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.984 -2.658 -4.418 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.364 -1.255 -3.516 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.118 -1.517 -3.658 1.00 0.00 H new ATOM 1080 N SER A 68 -6.286 2.479 -3.917 1.00 0.00 N ATOM 1081 CA SER A 68 -5.172 3.020 -3.082 1.00 0.00 C ATOM 1082 C SER A 68 -5.704 3.997 -2.027 1.00 0.00 C ATOM 1083 O SER A 68 -6.867 4.348 -2.018 1.00 0.00 O ATOM 1084 CB SER A 68 -4.241 3.731 -4.060 1.00 0.00 C ATOM 1085 OG SER A 68 -3.652 2.778 -4.939 1.00 0.00 O ATOM 0 H SER A 68 -7.009 3.151 -4.176 1.00 0.00 H new ATOM 0 HA SER A 68 -4.657 2.230 -2.536 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.797 4.473 -4.632 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.464 4.266 -3.514 1.00 0.00 H new ATOM 0 HG SER A 68 -3.780 1.876 -4.577 1.00 0.00 H new ATOM 1091 N ASP A 69 -4.855 4.426 -1.129 1.00 0.00 N ATOM 1092 CA ASP A 69 -5.296 5.367 -0.054 1.00 0.00 C ATOM 1093 C ASP A 69 -5.851 6.665 -0.650 1.00 0.00 C ATOM 1094 O ASP A 69 -5.185 7.678 -0.682 1.00 0.00 O ATOM 1095 CB ASP A 69 -4.034 5.625 0.777 1.00 0.00 C ATOM 1096 CG ASP A 69 -4.176 6.935 1.556 1.00 0.00 C ATOM 1097 OD1 ASP A 69 -5.278 7.227 1.990 1.00 0.00 O ATOM 1098 OD2 ASP A 69 -3.180 7.624 1.705 1.00 0.00 O ATOM 0 H ASP A 69 -3.870 4.164 -1.093 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.104 4.955 0.551 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -3.869 4.798 1.468 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -3.163 5.674 0.124 1.00 0.00 H new ATOM 1103 N CYS A 70 -7.081 6.622 -1.097 1.00 0.00 N ATOM 1104 CA CYS A 70 -7.750 7.825 -1.686 1.00 0.00 C ATOM 1105 C CYS A 70 -6.736 8.818 -2.267 1.00 0.00 C ATOM 1106 O CYS A 70 -6.304 8.685 -3.394 1.00 0.00 O ATOM 1107 CB CYS A 70 -8.521 8.452 -0.525 1.00 0.00 C ATOM 1108 SG CYS A 70 -9.203 10.047 -1.043 1.00 0.00 S ATOM 0 H CYS A 70 -7.663 5.785 -1.078 1.00 0.00 H new ATOM 0 HA CYS A 70 -8.399 7.552 -2.518 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -9.324 7.787 -0.207 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -7.861 8.588 0.332 1.00 0.00 H new ATOM 0 HG CYS A 70 -9.861 10.579 -0.056 1.00 0.00 H new ATOM 1114 N SER A 71 -6.345 9.811 -1.512 1.00 0.00 N ATOM 1115 CA SER A 71 -5.350 10.783 -2.042 1.00 0.00 C ATOM 1116 C SER A 71 -4.222 10.003 -2.694 1.00 0.00 C ATOM 1117 O SER A 71 -3.862 10.228 -3.832 1.00 0.00 O ATOM 1118 CB SER A 71 -4.846 11.536 -0.816 1.00 0.00 C ATOM 1119 OG SER A 71 -3.930 12.542 -1.224 1.00 0.00 O ATOM 0 H SER A 71 -6.669 9.988 -0.561 1.00 0.00 H new ATOM 0 HA SER A 71 -5.762 11.467 -2.785 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.683 11.986 -0.282 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.361 10.846 -0.125 1.00 0.00 H new ATOM 0 HG SER A 71 -3.606 13.028 -0.437 1.00 0.00 H new ATOM 1125 N SER A 72 -3.687 9.061 -1.981 1.00 0.00 N ATOM 1126 CA SER A 72 -2.605 8.229 -2.560 1.00 0.00 C ATOM 1127 C SER A 72 -3.075 7.693 -3.908 1.00 0.00 C ATOM 1128 O SER A 72 -2.299 7.531 -4.815 1.00 0.00 O ATOM 1129 CB SER A 72 -2.382 7.098 -1.559 1.00 0.00 C ATOM 1130 OG SER A 72 -2.932 5.894 -2.076 1.00 0.00 O ATOM 0 H SER A 72 -3.951 8.830 -1.023 1.00 0.00 H new ATOM 0 HA SER A 72 -1.680 8.780 -2.728 1.00 0.00 H new ATOM 0 HB2 SER A 72 -1.316 6.971 -1.368 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.849 7.344 -0.606 1.00 0.00 H new ATOM 0 HG SER A 72 -2.332 5.146 -1.872 1.00 0.00 H new ATOM 1136 N ALA A 73 -4.350 7.453 -4.069 1.00 0.00 N ATOM 1137 CA ALA A 73 -4.828 6.975 -5.397 1.00 0.00 C ATOM 1138 C ALA A 73 -4.335 7.961 -6.452 1.00 0.00 C ATOM 1139 O ALA A 73 -3.672 7.593 -7.402 1.00 0.00 O ATOM 1140 CB ALA A 73 -6.353 6.978 -5.319 1.00 0.00 C ATOM 0 H ALA A 73 -5.068 7.565 -3.353 1.00 0.00 H new ATOM 0 HA ALA A 73 -4.464 5.980 -5.654 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -6.767 6.635 -6.268 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -6.678 6.312 -4.520 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.705 7.989 -5.114 1.00 0.00 H new ATOM 1146 N LYS A 74 -4.611 9.225 -6.262 1.00 0.00 N ATOM 1147 CA LYS A 74 -4.110 10.242 -7.224 1.00 0.00 C ATOM 1148 C LYS A 74 -2.602 10.019 -7.392 1.00 0.00 C ATOM 1149 O LYS A 74 -2.008 10.358 -8.396 1.00 0.00 O ATOM 1150 CB LYS A 74 -4.409 11.590 -6.557 1.00 0.00 C ATOM 1151 CG LYS A 74 -4.126 12.727 -7.542 1.00 0.00 C ATOM 1152 CD LYS A 74 -3.326 13.827 -6.839 1.00 0.00 C ATOM 1153 CE LYS A 74 -4.129 15.131 -6.839 1.00 0.00 C ATOM 1154 NZ LYS A 74 -3.525 15.954 -7.923 1.00 0.00 N ATOM 0 H LYS A 74 -5.160 9.593 -5.485 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.568 10.192 -8.212 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -5.450 11.625 -6.236 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -3.796 11.709 -5.664 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -3.569 12.349 -8.399 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -5.063 13.132 -7.924 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -3.100 13.528 -5.815 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -2.372 13.976 -7.345 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -5.186 14.944 -7.028 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -4.062 15.636 -5.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.022 16.865 -7.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -2.520 16.122 -7.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -3.610 15.451 -8.829 1.00 0.00 H new ATOM 1168 N ARG A 75 -2.001 9.418 -6.398 1.00 0.00 N ATOM 1169 CA ARG A 75 -0.542 9.109 -6.436 1.00 0.00 C ATOM 1170 C ARG A 75 -0.366 7.585 -6.396 1.00 0.00 C ATOM 1171 O ARG A 75 0.593 7.069 -5.857 1.00 0.00 O ATOM 1172 CB ARG A 75 0.011 9.740 -5.156 1.00 0.00 C ATOM 1173 CG ARG A 75 1.249 10.569 -5.482 1.00 0.00 C ATOM 1174 CD ARG A 75 1.870 11.101 -4.187 1.00 0.00 C ATOM 1175 NE ARG A 75 1.310 12.471 -4.022 1.00 0.00 N ATOM 1176 CZ ARG A 75 1.662 13.201 -2.997 1.00 0.00 C ATOM 1177 NH1 ARG A 75 2.232 12.644 -1.964 1.00 0.00 N ATOM 1178 NH2 ARG A 75 1.446 14.488 -3.007 1.00 0.00 N ATOM 0 H ARG A 75 -2.472 9.122 -5.543 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.038 9.484 -7.327 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.748 10.370 -4.693 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.262 8.962 -4.435 1.00 0.00 H new ATOM 0 HG2 ARG A 75 1.975 9.960 -6.021 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.981 11.399 -6.136 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.616 10.466 -3.338 1.00 0.00 H new ATOM 0 HD3 ARG A 75 2.958 11.125 -4.252 1.00 0.00 H new ATOM 0 HE ARG A 75 0.652 12.839 -4.709 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.403 11.638 -1.956 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.507 13.214 -1.164 1.00 0.00 H new ATOM 0 HH21 ARG A 75 1.002 14.924 -3.815 1.00 0.00 H new ATOM 0 HH22 ARG A 75 1.721 15.057 -2.207 1.00 0.00 H new ATOM 1192 N GLY A 76 -1.319 6.869 -6.937 1.00 0.00 N ATOM 1193 CA GLY A 76 -1.270 5.379 -6.918 1.00 0.00 C ATOM 1194 C GLY A 76 0.037 4.905 -7.524 1.00 0.00 C ATOM 1195 O GLY A 76 0.465 3.787 -7.317 1.00 0.00 O ATOM 0 H GLY A 76 -2.140 7.262 -7.397 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -1.361 5.015 -5.895 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -2.111 4.970 -7.478 1.00 0.00 H new ATOM 1199 N GLY A 77 0.678 5.748 -8.269 1.00 0.00 N ATOM 1200 CA GLY A 77 1.966 5.346 -8.886 1.00 0.00 C ATOM 1201 C GLY A 77 2.922 4.892 -7.784 1.00 0.00 C ATOM 1202 O GLY A 77 2.860 3.772 -7.300 1.00 0.00 O ATOM 0 H GLY A 77 0.369 6.697 -8.479 1.00 0.00 H new ATOM 0 HA2 GLY A 77 1.806 4.540 -9.602 1.00 0.00 H new ATOM 0 HA3 GLY A 77 2.397 6.181 -9.438 1.00 0.00 H new ATOM 1206 N ASP A 78 3.805 5.752 -7.374 1.00 0.00 N ATOM 1207 CA ASP A 78 4.761 5.362 -6.306 1.00 0.00 C ATOM 1208 C ASP A 78 5.365 6.594 -5.631 1.00 0.00 C ATOM 1209 O ASP A 78 5.253 7.703 -6.115 1.00 0.00 O ATOM 1210 CB ASP A 78 5.845 4.565 -7.034 1.00 0.00 C ATOM 1211 CG ASP A 78 6.424 5.406 -8.173 1.00 0.00 C ATOM 1212 OD1 ASP A 78 5.668 5.766 -9.061 1.00 0.00 O ATOM 1213 OD2 ASP A 78 7.614 5.674 -8.141 1.00 0.00 O ATOM 0 H ASP A 78 3.907 6.703 -7.729 1.00 0.00 H new ATOM 0 HA ASP A 78 4.278 4.788 -5.515 1.00 0.00 H new ATOM 0 HB2 ASP A 78 6.635 4.286 -6.337 1.00 0.00 H new ATOM 0 HB3 ASP A 78 5.426 3.639 -7.429 1.00 0.00 H new ATOM 1218 N LEU A 79 6.023 6.396 -4.522 1.00 0.00 N ATOM 1219 CA LEU A 79 6.662 7.547 -3.815 1.00 0.00 C ATOM 1220 C LEU A 79 7.931 7.930 -4.573 1.00 0.00 C ATOM 1221 O LEU A 79 8.301 9.083 -4.663 1.00 0.00 O ATOM 1222 CB LEU A 79 7.030 7.063 -2.395 1.00 0.00 C ATOM 1223 CG LEU A 79 6.105 5.929 -1.929 1.00 0.00 C ATOM 1224 CD1 LEU A 79 6.784 4.581 -2.185 1.00 0.00 C ATOM 1225 CD2 LEU A 79 5.835 6.070 -0.428 1.00 0.00 C ATOM 0 H LEU A 79 6.147 5.488 -4.073 1.00 0.00 H new ATOM 0 HA LEU A 79 5.997 8.409 -3.763 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.064 6.718 -2.384 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.964 7.897 -1.697 1.00 0.00 H new ATOM 0 HG LEU A 79 5.166 5.983 -2.479 1.00 0.00 H new ATOM 0 HD11 LEU A 79 6.129 3.775 -1.855 1.00 0.00 H new ATOM 0 HD12 LEU A 79 6.985 4.472 -3.251 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.722 4.535 -1.632 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.178 5.264 -0.099 1.00 0.00 H new ATOM 0 HD22 LEU A 79 6.777 6.016 0.118 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.357 7.030 -0.233 1.00 0.00 H new ATOM 1237 N GLY A 80 8.597 6.949 -5.110 1.00 0.00 N ATOM 1238 CA GLY A 80 9.850 7.198 -5.864 1.00 0.00 C ATOM 1239 C GLY A 80 11.019 7.076 -4.908 1.00 0.00 C ATOM 1240 O GLY A 80 11.775 6.136 -4.960 1.00 0.00 O ATOM 0 H GLY A 80 8.319 5.969 -5.056 1.00 0.00 H new ATOM 0 HA2 GLY A 80 9.951 6.481 -6.679 1.00 0.00 H new ATOM 0 HA3 GLY A 80 9.831 8.191 -6.314 1.00 0.00 H new ATOM 1244 N SER A 81 11.159 8.020 -4.027 1.00 0.00 N ATOM 1245 CA SER A 81 12.285 7.966 -3.055 1.00 0.00 C ATOM 1246 C SER A 81 11.982 8.811 -1.817 1.00 0.00 C ATOM 1247 O SER A 81 11.416 9.883 -1.899 1.00 0.00 O ATOM 1248 CB SER A 81 13.480 8.526 -3.811 1.00 0.00 C ATOM 1249 OG SER A 81 13.603 9.916 -3.537 1.00 0.00 O ATOM 0 H SER A 81 10.544 8.828 -3.936 1.00 0.00 H new ATOM 0 HA SER A 81 12.464 6.953 -2.695 1.00 0.00 H new ATOM 0 HB2 SER A 81 14.389 8.004 -3.514 1.00 0.00 H new ATOM 0 HB3 SER A 81 13.355 8.365 -4.882 1.00 0.00 H new ATOM 0 HG SER A 81 14.374 10.278 -4.022 1.00 0.00 H new ATOM 1255 N PHE A 82 12.357 8.320 -0.670 1.00 0.00 N ATOM 1256 CA PHE A 82 12.103 9.062 0.595 1.00 0.00 C ATOM 1257 C PHE A 82 12.867 8.378 1.734 1.00 0.00 C ATOM 1258 O PHE A 82 13.950 7.865 1.534 1.00 0.00 O ATOM 1259 CB PHE A 82 10.590 8.962 0.804 1.00 0.00 C ATOM 1260 CG PHE A 82 10.172 7.513 0.746 1.00 0.00 C ATOM 1261 CD1 PHE A 82 10.010 6.878 -0.492 1.00 0.00 C ATOM 1262 CD2 PHE A 82 9.950 6.804 1.930 1.00 0.00 C ATOM 1263 CE1 PHE A 82 9.627 5.535 -0.545 1.00 0.00 C ATOM 1264 CE2 PHE A 82 9.564 5.460 1.878 1.00 0.00 C ATOM 1265 CZ PHE A 82 9.403 4.826 0.639 1.00 0.00 C ATOM 0 H PHE A 82 12.834 7.426 -0.554 1.00 0.00 H new ATOM 0 HA PHE A 82 12.431 10.101 0.564 1.00 0.00 H new ATOM 0 HB2 PHE A 82 10.315 9.393 1.767 1.00 0.00 H new ATOM 0 HB3 PHE A 82 10.067 9.534 0.038 1.00 0.00 H new ATOM 0 HD1 PHE A 82 10.181 7.427 -1.406 1.00 0.00 H new ATOM 0 HD2 PHE A 82 10.076 7.293 2.884 1.00 0.00 H new ATOM 0 HE1 PHE A 82 9.504 5.045 -1.500 1.00 0.00 H new ATOM 0 HE2 PHE A 82 9.390 4.912 2.792 1.00 0.00 H new ATOM 0 HZ PHE A 82 9.106 3.789 0.598 1.00 0.00 H new ATOM 1275 N GLY A 83 12.324 8.350 2.920 1.00 0.00 N ATOM 1276 CA GLY A 83 13.048 7.679 4.035 1.00 0.00 C ATOM 1277 C GLY A 83 12.656 8.299 5.373 1.00 0.00 C ATOM 1278 O GLY A 83 12.214 7.618 6.276 1.00 0.00 O ATOM 0 H GLY A 83 11.421 8.758 3.163 1.00 0.00 H new ATOM 0 HA2 GLY A 83 12.816 6.614 4.039 1.00 0.00 H new ATOM 0 HA3 GLY A 83 14.124 7.771 3.886 1.00 0.00 H new ATOM 1282 N ARG A 84 12.820 9.581 5.516 1.00 0.00 N ATOM 1283 CA ARG A 84 12.459 10.230 6.811 1.00 0.00 C ATOM 1284 C ARG A 84 11.488 11.391 6.571 1.00 0.00 C ATOM 1285 O ARG A 84 11.558 12.075 5.569 1.00 0.00 O ATOM 1286 CB ARG A 84 13.778 10.752 7.405 1.00 0.00 C ATOM 1287 CG ARG A 84 14.958 9.871 6.969 1.00 0.00 C ATOM 1288 CD ARG A 84 14.678 8.406 7.320 1.00 0.00 C ATOM 1289 NE ARG A 84 15.657 8.072 8.391 1.00 0.00 N ATOM 1290 CZ ARG A 84 16.473 7.066 8.237 1.00 0.00 C ATOM 1291 NH1 ARG A 84 16.082 5.857 8.531 1.00 0.00 N ATOM 1292 NH2 ARG A 84 17.680 7.267 7.785 1.00 0.00 N ATOM 0 H ARG A 84 13.186 10.208 4.799 1.00 0.00 H new ATOM 0 HA ARG A 84 11.966 9.530 7.485 1.00 0.00 H new ATOM 0 HB2 ARG A 84 13.946 11.779 7.082 1.00 0.00 H new ATOM 0 HB3 ARG A 84 13.712 10.767 8.493 1.00 0.00 H new ATOM 0 HG2 ARG A 84 15.120 9.972 5.896 1.00 0.00 H new ATOM 0 HG3 ARG A 84 15.872 10.203 7.462 1.00 0.00 H new ATOM 0 HD2 ARG A 84 13.653 8.272 7.666 1.00 0.00 H new ATOM 0 HD3 ARG A 84 14.808 7.760 6.451 1.00 0.00 H new ATOM 0 HE ARG A 84 15.690 8.629 9.245 1.00 0.00 H new ATOM 0 HH11 ARG A 84 15.138 5.698 8.882 1.00 0.00 H new ATOM 0 HH12 ARG A 84 16.721 5.071 8.410 1.00 0.00 H new ATOM 0 HH21 ARG A 84 17.986 8.211 7.552 1.00 0.00 H new ATOM 0 HH22 ARG A 84 18.317 6.480 7.665 1.00 0.00 H new ATOM 1306 N GLY A 85 10.585 11.619 7.486 1.00 0.00 N ATOM 1307 CA GLY A 85 9.612 12.736 7.316 1.00 0.00 C ATOM 1308 C GLY A 85 8.656 12.420 6.164 1.00 0.00 C ATOM 1309 O GLY A 85 7.897 13.262 5.726 1.00 0.00 O ATOM 0 H GLY A 85 10.479 11.079 8.345 1.00 0.00 H new ATOM 0 HA2 GLY A 85 9.049 12.884 8.238 1.00 0.00 H new ATOM 0 HA3 GLY A 85 10.144 13.666 7.115 1.00 0.00 H new ATOM 1313 N GLN A 86 8.685 11.214 5.671 1.00 0.00 N ATOM 1314 CA GLN A 86 7.776 10.845 4.546 1.00 0.00 C ATOM 1315 C GLN A 86 6.800 9.761 4.997 1.00 0.00 C ATOM 1316 O GLN A 86 5.598 9.933 4.967 1.00 0.00 O ATOM 1317 CB GLN A 86 8.689 10.291 3.449 1.00 0.00 C ATOM 1318 CG GLN A 86 9.954 11.139 3.338 1.00 0.00 C ATOM 1319 CD GLN A 86 10.079 11.696 1.920 1.00 0.00 C ATOM 1320 OE1 GLN A 86 9.234 11.451 1.082 1.00 0.00 O ATOM 1321 NE2 GLN A 86 11.106 12.440 1.615 1.00 0.00 N ATOM 0 H GLN A 86 9.298 10.467 5.997 1.00 0.00 H new ATOM 0 HA GLN A 86 7.191 11.698 4.202 1.00 0.00 H new ATOM 0 HB2 GLN A 86 8.954 9.258 3.673 1.00 0.00 H new ATOM 0 HB3 GLN A 86 8.161 10.285 2.495 1.00 0.00 H new ATOM 0 HG2 GLN A 86 9.920 11.956 4.058 1.00 0.00 H new ATOM 0 HG3 GLN A 86 10.829 10.537 3.581 1.00 0.00 H new ATOM 0 HE21 GLN A 86 11.815 12.645 2.320 1.00 0.00 H new ATOM 0 HE22 GLN A 86 11.201 12.817 0.672 1.00 0.00 H new ATOM 1330 N MET A 87 7.319 8.639 5.408 1.00 0.00 N ATOM 1331 CA MET A 87 6.443 7.524 5.856 1.00 0.00 C ATOM 1332 C MET A 87 6.610 7.295 7.360 1.00 0.00 C ATOM 1333 O MET A 87 7.709 7.282 7.878 1.00 0.00 O ATOM 1334 CB MET A 87 6.933 6.321 5.052 1.00 0.00 C ATOM 1335 CG MET A 87 6.007 6.095 3.850 1.00 0.00 C ATOM 1336 SD MET A 87 5.683 7.669 3.012 1.00 0.00 S ATOM 1337 CE MET A 87 7.312 7.852 2.247 1.00 0.00 C ATOM 0 H MET A 87 8.320 8.446 5.453 1.00 0.00 H new ATOM 0 HA MET A 87 5.383 7.719 5.695 1.00 0.00 H new ATOM 0 HB2 MET A 87 7.954 6.490 4.711 1.00 0.00 H new ATOM 0 HB3 MET A 87 6.951 5.432 5.683 1.00 0.00 H new ATOM 0 HG2 MET A 87 6.465 5.391 3.155 1.00 0.00 H new ATOM 0 HG3 MET A 87 5.069 5.650 4.182 1.00 0.00 H new ATOM 0 HE1 MET A 87 7.340 8.775 1.668 1.00 0.00 H new ATOM 0 HE2 MET A 87 8.077 7.887 3.023 1.00 0.00 H new ATOM 0 HE3 MET A 87 7.502 7.005 1.588 1.00 0.00 H new ATOM 1347 N GLN A 88 5.527 7.129 8.065 1.00 0.00 N ATOM 1348 CA GLN A 88 5.618 6.916 9.539 1.00 0.00 C ATOM 1349 C GLN A 88 6.503 5.704 9.862 1.00 0.00 C ATOM 1350 O GLN A 88 7.315 5.282 9.063 1.00 0.00 O ATOM 1351 CB GLN A 88 4.175 6.677 9.989 1.00 0.00 C ATOM 1352 CG GLN A 88 3.403 7.996 9.947 1.00 0.00 C ATOM 1353 CD GLN A 88 4.176 9.065 10.721 1.00 0.00 C ATOM 1354 OE1 GLN A 88 4.121 9.112 11.934 1.00 0.00 O ATOM 1355 NE2 GLN A 88 4.900 9.931 10.067 1.00 0.00 N ATOM 0 H GLN A 88 4.580 7.131 7.685 1.00 0.00 H new ATOM 0 HA GLN A 88 6.070 7.766 10.051 1.00 0.00 H new ATOM 0 HB2 GLN A 88 3.697 5.943 9.340 1.00 0.00 H new ATOM 0 HB3 GLN A 88 4.161 6.267 10.999 1.00 0.00 H new ATOM 0 HG2 GLN A 88 3.259 8.313 8.914 1.00 0.00 H new ATOM 0 HG3 GLN A 88 2.412 7.863 10.381 1.00 0.00 H new ATOM 0 HE21 GLN A 88 4.946 9.892 9.049 1.00 0.00 H new ATOM 0 HE22 GLN A 88 5.420 10.647 10.574 1.00 0.00 H new ATOM 1364 N LYS A 89 6.357 5.155 11.040 1.00 0.00 N ATOM 1365 CA LYS A 89 7.188 3.983 11.445 1.00 0.00 C ATOM 1366 C LYS A 89 6.751 2.668 10.763 1.00 0.00 C ATOM 1367 O LYS A 89 7.579 1.806 10.542 1.00 0.00 O ATOM 1368 CB LYS A 89 6.989 3.874 12.957 1.00 0.00 C ATOM 1369 CG LYS A 89 7.205 5.243 13.603 1.00 0.00 C ATOM 1370 CD LYS A 89 8.118 5.092 14.822 1.00 0.00 C ATOM 1371 CE LYS A 89 9.305 6.048 14.691 1.00 0.00 C ATOM 1372 NZ LYS A 89 9.657 6.412 16.091 1.00 0.00 N ATOM 0 H LYS A 89 5.691 5.472 11.745 1.00 0.00 H new ATOM 0 HA LYS A 89 8.227 4.130 11.149 1.00 0.00 H new ATOM 0 HB2 LYS A 89 5.985 3.511 13.177 1.00 0.00 H new ATOM 0 HB3 LYS A 89 7.688 3.149 13.375 1.00 0.00 H new ATOM 0 HG2 LYS A 89 7.651 5.930 12.884 1.00 0.00 H new ATOM 0 HG3 LYS A 89 6.248 5.671 13.902 1.00 0.00 H new ATOM 0 HD2 LYS A 89 7.563 5.308 15.735 1.00 0.00 H new ATOM 0 HD3 LYS A 89 8.472 4.064 14.900 1.00 0.00 H new ATOM 0 HE2 LYS A 89 10.143 5.570 14.184 1.00 0.00 H new ATOM 0 HE3 LYS A 89 9.040 6.930 14.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 10.465 7.067 16.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 8.842 6.870 16.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 9.911 5.553 16.620 1.00 0.00 H new ATOM 1386 N PRO A 90 5.476 2.523 10.468 1.00 0.00 N ATOM 1387 CA PRO A 90 5.002 1.263 9.843 1.00 0.00 C ATOM 1388 C PRO A 90 5.477 1.150 8.392 1.00 0.00 C ATOM 1389 O PRO A 90 6.194 0.233 8.041 1.00 0.00 O ATOM 1390 CB PRO A 90 3.483 1.362 9.925 1.00 0.00 C ATOM 1391 CG PRO A 90 3.191 2.823 10.008 1.00 0.00 C ATOM 1392 CD PRO A 90 4.377 3.480 10.665 1.00 0.00 C ATOM 0 HA PRO A 90 5.390 0.375 10.343 1.00 0.00 H new ATOM 0 HB2 PRO A 90 3.011 0.915 9.050 1.00 0.00 H new ATOM 0 HB3 PRO A 90 3.100 0.834 10.798 1.00 0.00 H new ATOM 0 HG2 PRO A 90 3.023 3.238 9.014 1.00 0.00 H new ATOM 0 HG3 PRO A 90 2.284 3.001 10.586 1.00 0.00 H new ATOM 0 HD2 PRO A 90 4.602 4.444 10.208 1.00 0.00 H new ATOM 0 HD3 PRO A 90 4.194 3.664 11.724 1.00 0.00 H new ATOM 1400 N PHE A 91 5.091 2.059 7.541 1.00 0.00 N ATOM 1401 CA PHE A 91 5.542 1.960 6.125 1.00 0.00 C ATOM 1402 C PHE A 91 7.061 1.904 6.066 1.00 0.00 C ATOM 1403 O PHE A 91 7.641 0.945 5.606 1.00 0.00 O ATOM 1404 CB PHE A 91 5.043 3.230 5.423 1.00 0.00 C ATOM 1405 CG PHE A 91 5.463 3.189 3.966 1.00 0.00 C ATOM 1406 CD1 PHE A 91 6.823 3.188 3.618 1.00 0.00 C ATOM 1407 CD2 PHE A 91 4.493 3.115 2.960 1.00 0.00 C ATOM 1408 CE1 PHE A 91 7.207 3.115 2.290 1.00 0.00 C ATOM 1409 CE2 PHE A 91 4.885 3.049 1.616 1.00 0.00 C ATOM 1410 CZ PHE A 91 6.243 3.046 1.283 1.00 0.00 C ATOM 0 H PHE A 91 4.492 2.855 7.759 1.00 0.00 H new ATOM 0 HA PHE A 91 5.153 1.060 5.648 1.00 0.00 H new ATOM 0 HB2 PHE A 91 3.958 3.301 5.500 1.00 0.00 H new ATOM 0 HB3 PHE A 91 5.455 4.115 5.908 1.00 0.00 H new ATOM 0 HD1 PHE A 91 7.575 3.245 4.391 1.00 0.00 H new ATOM 0 HD2 PHE A 91 3.444 3.109 3.219 1.00 0.00 H new ATOM 0 HE1 PHE A 91 8.256 3.111 2.032 1.00 0.00 H new ATOM 0 HE2 PHE A 91 4.138 3.000 0.837 1.00 0.00 H new ATOM 0 HZ PHE A 91 6.546 2.990 0.248 1.00 0.00 H new ATOM 1420 N GLU A 92 7.705 2.949 6.491 1.00 0.00 N ATOM 1421 CA GLU A 92 9.191 2.992 6.431 1.00 0.00 C ATOM 1422 C GLU A 92 9.782 1.626 6.775 1.00 0.00 C ATOM 1423 O GLU A 92 10.298 0.933 5.923 1.00 0.00 O ATOM 1424 CB GLU A 92 9.587 4.043 7.471 1.00 0.00 C ATOM 1425 CG GLU A 92 11.092 3.981 7.729 1.00 0.00 C ATOM 1426 CD GLU A 92 11.529 5.227 8.502 1.00 0.00 C ATOM 1427 OE1 GLU A 92 10.804 5.630 9.398 1.00 0.00 O ATOM 1428 OE2 GLU A 92 12.581 5.757 8.185 1.00 0.00 O ATOM 0 H GLU A 92 7.264 3.782 6.881 1.00 0.00 H new ATOM 0 HA GLU A 92 9.563 3.241 5.437 1.00 0.00 H new ATOM 0 HB2 GLU A 92 9.311 5.037 7.119 1.00 0.00 H new ATOM 0 HB3 GLU A 92 9.043 3.871 8.400 1.00 0.00 H new ATOM 0 HG2 GLU A 92 11.338 3.083 8.296 1.00 0.00 H new ATOM 0 HG3 GLU A 92 11.631 3.919 6.784 1.00 0.00 H new ATOM 1435 N GLU A 93 9.708 1.227 8.008 1.00 0.00 N ATOM 1436 CA GLU A 93 10.272 -0.100 8.378 1.00 0.00 C ATOM 1437 C GLU A 93 9.842 -1.158 7.353 1.00 0.00 C ATOM 1438 O GLU A 93 10.494 -2.168 7.181 1.00 0.00 O ATOM 1439 CB GLU A 93 9.714 -0.403 9.773 1.00 0.00 C ATOM 1440 CG GLU A 93 8.303 -0.987 9.668 1.00 0.00 C ATOM 1441 CD GLU A 93 8.356 -2.493 9.933 1.00 0.00 C ATOM 1442 OE1 GLU A 93 8.934 -3.197 9.121 1.00 0.00 O ATOM 1443 OE2 GLU A 93 7.821 -2.915 10.944 1.00 0.00 O ATOM 0 H GLU A 93 9.286 1.754 8.772 1.00 0.00 H new ATOM 0 HA GLU A 93 11.362 -0.105 8.385 1.00 0.00 H new ATOM 0 HB2 GLU A 93 10.368 -1.106 10.288 1.00 0.00 H new ATOM 0 HB3 GLU A 93 9.694 0.509 10.369 1.00 0.00 H new ATOM 0 HG2 GLU A 93 7.643 -0.503 10.387 1.00 0.00 H new ATOM 0 HG3 GLU A 93 7.891 -0.795 8.677 1.00 0.00 H new ATOM 1450 N ALA A 94 8.754 -0.930 6.664 1.00 0.00 N ATOM 1451 CA ALA A 94 8.297 -1.919 5.646 1.00 0.00 C ATOM 1452 C ALA A 94 9.238 -1.904 4.446 1.00 0.00 C ATOM 1453 O ALA A 94 9.816 -2.908 4.081 1.00 0.00 O ATOM 1454 CB ALA A 94 6.907 -1.443 5.219 1.00 0.00 C ATOM 0 H ALA A 94 8.164 -0.104 6.763 1.00 0.00 H new ATOM 0 HA ALA A 94 8.281 -2.935 6.041 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.504 -2.123 4.468 1.00 0.00 H new ATOM 0 HB2 ALA A 94 6.246 -1.426 6.086 1.00 0.00 H new ATOM 0 HB3 ALA A 94 6.979 -0.440 4.798 1.00 0.00 H new ATOM 1460 N THR A 95 9.395 -0.768 3.833 1.00 0.00 N ATOM 1461 CA THR A 95 10.298 -0.681 2.656 1.00 0.00 C ATOM 1462 C THR A 95 11.741 -0.879 3.109 1.00 0.00 C ATOM 1463 O THR A 95 12.573 -1.377 2.378 1.00 0.00 O ATOM 1464 CB THR A 95 10.085 0.726 2.101 1.00 0.00 C ATOM 1465 OG1 THR A 95 8.712 1.062 2.213 1.00 0.00 O ATOM 1466 CG2 THR A 95 10.502 0.765 0.631 1.00 0.00 C ATOM 0 H THR A 95 8.937 0.105 4.096 1.00 0.00 H new ATOM 0 HA THR A 95 10.092 -1.441 1.903 1.00 0.00 H new ATOM 0 HB THR A 95 10.687 1.439 2.664 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.609 1.815 2.831 1.00 0.00 H new ATOM 0 HG21 THR A 95 10.350 1.769 0.236 1.00 0.00 H new ATOM 0 HG22 THR A 95 11.555 0.497 0.544 1.00 0.00 H new ATOM 0 HG23 THR A 95 9.899 0.056 0.063 1.00 0.00 H new ATOM 1474 N TYR A 96 12.036 -0.506 4.321 1.00 0.00 N ATOM 1475 CA TYR A 96 13.418 -0.685 4.839 1.00 0.00 C ATOM 1476 C TYR A 96 13.634 -2.153 5.208 1.00 0.00 C ATOM 1477 O TYR A 96 14.735 -2.665 5.165 1.00 0.00 O ATOM 1478 CB TYR A 96 13.485 0.193 6.088 1.00 0.00 C ATOM 1479 CG TYR A 96 13.863 1.605 5.705 1.00 0.00 C ATOM 1480 CD1 TYR A 96 15.210 1.976 5.635 1.00 0.00 C ATOM 1481 CD2 TYR A 96 12.865 2.546 5.428 1.00 0.00 C ATOM 1482 CE1 TYR A 96 15.558 3.288 5.288 1.00 0.00 C ATOM 1483 CE2 TYR A 96 13.215 3.858 5.084 1.00 0.00 C ATOM 1484 CZ TYR A 96 14.562 4.228 5.015 1.00 0.00 C ATOM 1485 OH TYR A 96 14.910 5.521 4.679 1.00 0.00 O ATOM 0 H TYR A 96 11.378 -0.084 4.976 1.00 0.00 H new ATOM 0 HA TYR A 96 14.182 -0.413 4.110 1.00 0.00 H new ATOM 0 HB2 TYR A 96 12.521 0.191 6.597 1.00 0.00 H new ATOM 0 HB3 TYR A 96 14.216 -0.211 6.788 1.00 0.00 H new ATOM 0 HD1 TYR A 96 15.982 1.251 5.848 1.00 0.00 H new ATOM 0 HD2 TYR A 96 11.825 2.261 5.479 1.00 0.00 H new ATOM 0 HE1 TYR A 96 16.598 3.573 5.232 1.00 0.00 H new ATOM 0 HE2 TYR A 96 12.444 4.584 4.872 1.00 0.00 H new ATOM 0 HH TYR A 96 15.777 5.518 4.223 1.00 0.00 H new ATOM 1495 N ALA A 97 12.580 -2.830 5.575 1.00 0.00 N ATOM 1496 CA ALA A 97 12.701 -4.266 5.957 1.00 0.00 C ATOM 1497 C ALA A 97 12.649 -5.163 4.713 1.00 0.00 C ATOM 1498 O ALA A 97 13.292 -6.192 4.653 1.00 0.00 O ATOM 1499 CB ALA A 97 11.492 -4.529 6.857 1.00 0.00 C ATOM 0 H ALA A 97 11.636 -2.448 5.627 1.00 0.00 H new ATOM 0 HA ALA A 97 13.646 -4.482 6.456 1.00 0.00 H new ATOM 0 HB1 ALA A 97 11.502 -5.568 7.186 1.00 0.00 H new ATOM 0 HB2 ALA A 97 11.536 -3.873 7.726 1.00 0.00 H new ATOM 0 HB3 ALA A 97 10.575 -4.333 6.301 1.00 0.00 H new ATOM 1505 N LEU A 98 11.880 -4.787 3.726 1.00 0.00 N ATOM 1506 CA LEU A 98 11.780 -5.627 2.495 1.00 0.00 C ATOM 1507 C LEU A 98 12.745 -5.128 1.414 1.00 0.00 C ATOM 1508 O LEU A 98 12.396 -4.306 0.590 1.00 0.00 O ATOM 1509 CB LEU A 98 10.330 -5.466 2.033 1.00 0.00 C ATOM 1510 CG LEU A 98 9.925 -6.662 1.171 1.00 0.00 C ATOM 1511 CD1 LEU A 98 8.515 -7.111 1.556 1.00 0.00 C ATOM 1512 CD2 LEU A 98 9.940 -6.251 -0.303 1.00 0.00 C ATOM 0 H LEU A 98 11.317 -3.936 3.718 1.00 0.00 H new ATOM 0 HA LEU A 98 12.043 -6.667 2.687 1.00 0.00 H new ATOM 0 HB2 LEU A 98 9.670 -5.389 2.897 1.00 0.00 H new ATOM 0 HB3 LEU A 98 10.220 -4.543 1.464 1.00 0.00 H new ATOM 0 HG LEU A 98 10.626 -7.481 1.331 1.00 0.00 H new ATOM 0 HD11 LEU A 98 8.224 -7.964 0.942 1.00 0.00 H new ATOM 0 HD12 LEU A 98 8.499 -7.398 2.607 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.815 -6.292 1.393 1.00 0.00 H new ATOM 0 HD21 LEU A 98 9.652 -7.101 -0.921 1.00 0.00 H new ATOM 0 HD22 LEU A 98 9.236 -5.433 -0.460 1.00 0.00 H new ATOM 0 HD23 LEU A 98 10.943 -5.925 -0.580 1.00 0.00 H new ATOM 1524 N LYS A 99 13.954 -5.625 1.398 1.00 0.00 N ATOM 1525 CA LYS A 99 14.922 -5.178 0.355 1.00 0.00 C ATOM 1526 C LYS A 99 14.450 -5.658 -1.021 1.00 0.00 C ATOM 1527 O LYS A 99 15.041 -6.531 -1.624 1.00 0.00 O ATOM 1528 CB LYS A 99 16.256 -5.827 0.734 1.00 0.00 C ATOM 1529 CG LYS A 99 16.061 -7.330 0.943 1.00 0.00 C ATOM 1530 CD LYS A 99 17.356 -8.063 0.584 1.00 0.00 C ATOM 1531 CE LYS A 99 18.021 -8.585 1.859 1.00 0.00 C ATOM 1532 NZ LYS A 99 19.101 -7.602 2.160 1.00 0.00 N ATOM 0 H LYS A 99 14.311 -6.316 2.058 1.00 0.00 H new ATOM 0 HA LYS A 99 15.012 -4.093 0.304 1.00 0.00 H new ATOM 0 HB2 LYS A 99 16.992 -5.652 -0.051 1.00 0.00 H new ATOM 0 HB3 LYS A 99 16.647 -5.372 1.644 1.00 0.00 H new ATOM 0 HG2 LYS A 99 15.790 -7.533 1.979 1.00 0.00 H new ATOM 0 HG3 LYS A 99 15.241 -7.692 0.323 1.00 0.00 H new ATOM 0 HD2 LYS A 99 17.142 -8.891 -0.092 1.00 0.00 H new ATOM 0 HD3 LYS A 99 18.033 -7.390 0.058 1.00 0.00 H new ATOM 0 HE2 LYS A 99 17.306 -8.650 2.679 1.00 0.00 H new ATOM 0 HE3 LYS A 99 18.428 -9.585 1.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 19.604 -7.892 3.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 19.770 -7.567 1.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 18.683 -6.660 2.303 1.00 0.00 H new ATOM 1546 N VAL A 100 13.374 -5.092 -1.502 1.00 0.00 N ATOM 1547 CA VAL A 100 12.809 -5.490 -2.828 1.00 0.00 C ATOM 1548 C VAL A 100 13.018 -6.980 -3.106 1.00 0.00 C ATOM 1549 O VAL A 100 13.404 -7.376 -4.188 1.00 0.00 O ATOM 1550 CB VAL A 100 13.514 -4.618 -3.871 1.00 0.00 C ATOM 1551 CG1 VAL A 100 14.864 -5.215 -4.268 1.00 0.00 C ATOM 1552 CG2 VAL A 100 12.631 -4.533 -5.111 1.00 0.00 C ATOM 0 H VAL A 100 12.853 -4.357 -1.024 1.00 0.00 H new ATOM 0 HA VAL A 100 11.730 -5.337 -2.855 1.00 0.00 H new ATOM 0 HB VAL A 100 13.685 -3.630 -3.443 1.00 0.00 H new ATOM 0 HG11 VAL A 100 15.341 -4.574 -5.010 1.00 0.00 H new ATOM 0 HG12 VAL A 100 15.502 -5.289 -3.388 1.00 0.00 H new ATOM 0 HG13 VAL A 100 14.712 -6.208 -4.690 1.00 0.00 H new ATOM 0 HG21 VAL A 100 13.120 -3.915 -5.864 1.00 0.00 H new ATOM 0 HG22 VAL A 100 12.470 -5.534 -5.512 1.00 0.00 H new ATOM 0 HG23 VAL A 100 11.671 -4.090 -4.845 1.00 0.00 H new ATOM 1562 N GLY A 101 12.732 -7.809 -2.141 1.00 0.00 N ATOM 1563 CA GLY A 101 12.872 -9.277 -2.344 1.00 0.00 C ATOM 1564 C GLY A 101 11.469 -9.880 -2.454 1.00 0.00 C ATOM 1565 O GLY A 101 11.291 -11.004 -2.880 1.00 0.00 O ATOM 0 H GLY A 101 12.406 -7.531 -1.216 1.00 0.00 H new ATOM 0 HA2 GLY A 101 13.446 -9.483 -3.247 1.00 0.00 H new ATOM 0 HA3 GLY A 101 13.415 -9.726 -1.512 1.00 0.00 H new ATOM 1569 N ASP A 102 10.471 -9.124 -2.072 1.00 0.00 N ATOM 1570 CA ASP A 102 9.067 -9.619 -2.143 1.00 0.00 C ATOM 1571 C ASP A 102 8.151 -8.483 -2.630 1.00 0.00 C ATOM 1572 O ASP A 102 8.507 -7.742 -3.525 1.00 0.00 O ATOM 1573 CB ASP A 102 8.736 -10.033 -0.709 1.00 0.00 C ATOM 1574 CG ASP A 102 9.546 -11.278 -0.342 1.00 0.00 C ATOM 1575 OD1 ASP A 102 9.206 -12.345 -0.826 1.00 0.00 O ATOM 1576 OD2 ASP A 102 10.494 -11.143 0.415 1.00 0.00 O ATOM 0 H ASP A 102 10.573 -8.176 -1.711 1.00 0.00 H new ATOM 0 HA ASP A 102 8.932 -10.449 -2.837 1.00 0.00 H new ATOM 0 HB2 ASP A 102 8.966 -9.219 -0.021 1.00 0.00 H new ATOM 0 HB3 ASP A 102 7.670 -10.238 -0.614 1.00 0.00 H new ATOM 1581 N ILE A 103 6.984 -8.325 -2.058 1.00 0.00 N ATOM 1582 CA ILE A 103 6.085 -7.222 -2.515 1.00 0.00 C ATOM 1583 C ILE A 103 5.466 -6.501 -1.314 1.00 0.00 C ATOM 1584 O ILE A 103 4.440 -5.860 -1.425 1.00 0.00 O ATOM 1585 CB ILE A 103 4.993 -7.898 -3.346 1.00 0.00 C ATOM 1586 CG1 ILE A 103 5.635 -8.778 -4.424 1.00 0.00 C ATOM 1587 CG2 ILE A 103 4.127 -6.825 -4.010 1.00 0.00 C ATOM 1588 CD1 ILE A 103 4.585 -9.155 -5.475 1.00 0.00 C ATOM 0 H ILE A 103 6.618 -8.905 -1.303 1.00 0.00 H new ATOM 0 HA ILE A 103 6.630 -6.474 -3.092 1.00 0.00 H new ATOM 0 HB ILE A 103 4.374 -8.519 -2.698 1.00 0.00 H new ATOM 0 HG12 ILE A 103 6.462 -8.247 -4.896 1.00 0.00 H new ATOM 0 HG13 ILE A 103 6.051 -9.678 -3.972 1.00 0.00 H new ATOM 0 HG21 ILE A 103 3.347 -7.303 -4.603 1.00 0.00 H new ATOM 0 HG22 ILE A 103 3.668 -6.201 -3.243 1.00 0.00 H new ATOM 0 HG23 ILE A 103 4.748 -6.206 -4.658 1.00 0.00 H new ATOM 0 HD11 ILE A 103 5.044 -9.781 -6.240 1.00 0.00 H new ATOM 0 HD12 ILE A 103 3.773 -9.703 -4.998 1.00 0.00 H new ATOM 0 HD13 ILE A 103 4.190 -8.250 -5.936 1.00 0.00 H new ATOM 1600 N SER A 104 6.081 -6.599 -0.172 1.00 0.00 N ATOM 1601 CA SER A 104 5.527 -5.918 1.034 1.00 0.00 C ATOM 1602 C SER A 104 4.008 -6.113 1.100 1.00 0.00 C ATOM 1603 O SER A 104 3.255 -5.165 1.200 1.00 0.00 O ATOM 1604 CB SER A 104 5.871 -4.441 0.845 1.00 0.00 C ATOM 1605 OG SER A 104 6.172 -3.864 2.109 1.00 0.00 O ATOM 0 H SER A 104 6.944 -7.121 -0.018 1.00 0.00 H new ATOM 0 HA SER A 104 5.938 -6.317 1.961 1.00 0.00 H new ATOM 0 HB2 SER A 104 6.723 -4.337 0.173 1.00 0.00 H new ATOM 0 HB3 SER A 104 5.034 -3.917 0.383 1.00 0.00 H new ATOM 0 HG SER A 104 6.395 -2.917 1.992 1.00 0.00 H new ATOM 1611 N ASP A 105 3.555 -7.335 1.040 1.00 0.00 N ATOM 1612 CA ASP A 105 2.087 -7.592 1.095 1.00 0.00 C ATOM 1613 C ASP A 105 1.534 -7.258 2.484 1.00 0.00 C ATOM 1614 O ASP A 105 2.274 -7.082 3.432 1.00 0.00 O ATOM 1615 CB ASP A 105 1.935 -9.087 0.806 1.00 0.00 C ATOM 1616 CG ASP A 105 2.519 -9.405 -0.572 1.00 0.00 C ATOM 1617 OD1 ASP A 105 1.907 -9.023 -1.556 1.00 0.00 O ATOM 1618 OD2 ASP A 105 3.568 -10.026 -0.619 1.00 0.00 O ATOM 0 H ASP A 105 4.138 -8.168 0.955 1.00 0.00 H new ATOM 0 HA ASP A 105 1.538 -6.977 0.382 1.00 0.00 H new ATOM 0 HB2 ASP A 105 2.446 -9.670 1.572 1.00 0.00 H new ATOM 0 HB3 ASP A 105 0.883 -9.369 0.840 1.00 0.00 H new ATOM 1623 N ILE A 106 0.234 -7.173 2.606 1.00 0.00 N ATOM 1624 CA ILE A 106 -0.388 -6.851 3.930 1.00 0.00 C ATOM 1625 C ILE A 106 0.443 -5.801 4.671 1.00 0.00 C ATOM 1626 O ILE A 106 1.341 -6.119 5.426 1.00 0.00 O ATOM 1627 CB ILE A 106 -0.447 -8.165 4.737 1.00 0.00 C ATOM 1628 CG1 ILE A 106 0.417 -9.260 4.089 1.00 0.00 C ATOM 1629 CG2 ILE A 106 -1.898 -8.647 4.803 1.00 0.00 C ATOM 1630 CD1 ILE A 106 0.101 -10.612 4.734 1.00 0.00 C ATOM 0 H ILE A 106 -0.428 -7.313 1.843 1.00 0.00 H new ATOM 0 HA ILE A 106 -1.388 -6.438 3.796 1.00 0.00 H new ATOM 0 HB ILE A 106 -0.061 -7.970 5.737 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.224 -9.303 3.017 1.00 0.00 H new ATOM 0 HG13 ILE A 106 1.474 -9.025 4.213 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -1.947 -9.575 5.372 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -2.511 -7.889 5.291 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -2.270 -8.820 3.793 1.00 0.00 H new ATOM 0 HD11 ILE A 106 0.714 -11.387 4.274 1.00 0.00 H new ATOM 0 HD12 ILE A 106 0.317 -10.565 5.801 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -0.953 -10.848 4.587 1.00 0.00 H new ATOM 1642 N VAL A 107 0.144 -4.548 4.462 1.00 0.00 N ATOM 1643 CA VAL A 107 0.905 -3.466 5.150 1.00 0.00 C ATOM 1644 C VAL A 107 -0.063 -2.544 5.903 1.00 0.00 C ATOM 1645 O VAL A 107 -0.061 -1.343 5.718 1.00 0.00 O ATOM 1646 CB VAL A 107 1.608 -2.708 4.024 1.00 0.00 C ATOM 1647 CG1 VAL A 107 2.627 -1.735 4.619 1.00 0.00 C ATOM 1648 CG2 VAL A 107 2.331 -3.704 3.114 1.00 0.00 C ATOM 0 H VAL A 107 -0.598 -4.225 3.841 1.00 0.00 H new ATOM 0 HA VAL A 107 1.612 -3.851 5.884 1.00 0.00 H new ATOM 0 HB VAL A 107 0.869 -2.153 3.446 1.00 0.00 H new ATOM 0 HG11 VAL A 107 3.127 -1.195 3.815 1.00 0.00 H new ATOM 0 HG12 VAL A 107 2.116 -1.025 5.269 1.00 0.00 H new ATOM 0 HG13 VAL A 107 3.365 -2.290 5.198 1.00 0.00 H new ATOM 0 HG21 VAL A 107 2.833 -3.165 2.311 1.00 0.00 H new ATOM 0 HG22 VAL A 107 3.068 -4.258 3.695 1.00 0.00 H new ATOM 0 HG23 VAL A 107 1.607 -4.399 2.688 1.00 0.00 H new ATOM 1658 N ASP A 108 -0.893 -3.099 6.746 1.00 0.00 N ATOM 1659 CA ASP A 108 -1.867 -2.259 7.507 1.00 0.00 C ATOM 1660 C ASP A 108 -1.180 -1.017 8.079 1.00 0.00 C ATOM 1661 O ASP A 108 -0.524 -1.070 9.100 1.00 0.00 O ATOM 1662 CB ASP A 108 -2.382 -3.158 8.634 1.00 0.00 C ATOM 1663 CG ASP A 108 -1.220 -3.946 9.244 1.00 0.00 C ATOM 1664 OD1 ASP A 108 -0.490 -3.372 10.035 1.00 0.00 O ATOM 1665 OD2 ASP A 108 -1.082 -5.112 8.911 1.00 0.00 O ATOM 0 H ASP A 108 -0.939 -4.099 6.941 1.00 0.00 H new ATOM 0 HA ASP A 108 -2.676 -1.901 6.871 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -2.865 -2.553 9.401 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -3.135 -3.845 8.248 1.00 0.00 H new ATOM 1670 N THR A 109 -1.332 0.104 7.427 1.00 0.00 N ATOM 1671 CA THR A 109 -0.697 1.356 7.929 1.00 0.00 C ATOM 1672 C THR A 109 -1.775 2.341 8.388 1.00 0.00 C ATOM 1673 O THR A 109 -2.915 1.977 8.593 1.00 0.00 O ATOM 1674 CB THR A 109 0.073 1.927 6.736 1.00 0.00 C ATOM 1675 OG1 THR A 109 0.088 0.980 5.678 1.00 0.00 O ATOM 1676 CG2 THR A 109 1.507 2.245 7.160 1.00 0.00 C ATOM 0 H THR A 109 -1.870 0.207 6.566 1.00 0.00 H new ATOM 0 HA THR A 109 -0.043 1.171 8.781 1.00 0.00 H new ATOM 0 HB THR A 109 -0.415 2.839 6.394 1.00 0.00 H new ATOM 0 HG1 THR A 109 0.506 0.150 5.988 1.00 0.00 H new ATOM 0 HG21 THR A 109 2.056 2.652 6.311 1.00 0.00 H new ATOM 0 HG22 THR A 109 1.494 2.977 7.968 1.00 0.00 H new ATOM 0 HG23 THR A 109 1.995 1.333 7.505 1.00 0.00 H new ATOM 1684 N ASP A 110 -1.425 3.588 8.546 1.00 0.00 N ATOM 1685 CA ASP A 110 -2.435 4.591 8.987 1.00 0.00 C ATOM 1686 C ASP A 110 -3.677 4.506 8.096 1.00 0.00 C ATOM 1687 O ASP A 110 -4.790 4.424 8.574 1.00 0.00 O ATOM 1688 CB ASP A 110 -1.745 5.947 8.824 1.00 0.00 C ATOM 1689 CG ASP A 110 -0.786 6.176 9.994 1.00 0.00 C ATOM 1690 OD1 ASP A 110 -1.125 5.783 11.098 1.00 0.00 O ATOM 1691 OD2 ASP A 110 0.272 6.739 9.766 1.00 0.00 O ATOM 0 H ASP A 110 -0.486 3.955 8.389 1.00 0.00 H new ATOM 0 HA ASP A 110 -2.766 4.427 10.013 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -1.199 5.978 7.881 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -2.488 6.743 8.788 1.00 0.00 H new ATOM 1696 N SER A 111 -3.492 4.518 6.805 1.00 0.00 N ATOM 1697 CA SER A 111 -4.661 4.432 5.884 1.00 0.00 C ATOM 1698 C SER A 111 -5.286 3.040 5.960 1.00 0.00 C ATOM 1699 O SER A 111 -6.488 2.881 5.888 1.00 0.00 O ATOM 1700 CB SER A 111 -4.088 4.683 4.491 1.00 0.00 C ATOM 1701 OG SER A 111 -3.790 6.065 4.350 1.00 0.00 O ATOM 0 H SER A 111 -2.583 4.584 6.348 1.00 0.00 H new ATOM 0 HA SER A 111 -5.442 5.149 6.139 1.00 0.00 H new ATOM 0 HB2 SER A 111 -3.187 4.088 4.343 1.00 0.00 H new ATOM 0 HB3 SER A 111 -4.804 4.374 3.729 1.00 0.00 H new ATOM 0 HG SER A 111 -2.944 6.170 3.867 1.00 0.00 H new ATOM 1707 N GLY A 112 -4.475 2.032 6.105 1.00 0.00 N ATOM 1708 CA GLY A 112 -5.015 0.648 6.185 1.00 0.00 C ATOM 1709 C GLY A 112 -4.065 -0.314 5.474 1.00 0.00 C ATOM 1710 O GLY A 112 -2.978 0.055 5.076 1.00 0.00 O ATOM 0 H GLY A 112 -3.460 2.107 6.172 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -5.135 0.353 7.228 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -6.003 0.605 5.726 1.00 0.00 H new ATOM 1714 N VAL A 113 -4.466 -1.544 5.307 1.00 0.00 N ATOM 1715 CA VAL A 113 -3.581 -2.523 4.615 1.00 0.00 C ATOM 1716 C VAL A 113 -3.061 -1.919 3.310 1.00 0.00 C ATOM 1717 O VAL A 113 -3.820 -1.517 2.447 1.00 0.00 O ATOM 1718 CB VAL A 113 -4.461 -3.739 4.346 1.00 0.00 C ATOM 1719 CG1 VAL A 113 -4.684 -4.501 5.652 1.00 0.00 C ATOM 1720 CG2 VAL A 113 -5.810 -3.284 3.791 1.00 0.00 C ATOM 0 H VAL A 113 -5.365 -1.913 5.618 1.00 0.00 H new ATOM 0 HA VAL A 113 -2.707 -2.791 5.209 1.00 0.00 H new ATOM 0 HB VAL A 113 -3.970 -4.387 3.620 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -5.313 -5.371 5.463 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -3.724 -4.827 6.051 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -5.175 -3.849 6.375 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -6.437 -4.155 3.600 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -6.302 -2.635 4.516 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -5.655 -2.737 2.861 1.00 0.00 H new ATOM 1730 N HIS A 114 -1.767 -1.844 3.173 1.00 0.00 N ATOM 1731 CA HIS A 114 -1.173 -1.251 1.941 1.00 0.00 C ATOM 1732 C HIS A 114 -0.348 -2.293 1.178 1.00 0.00 C ATOM 1733 O HIS A 114 -0.336 -3.464 1.506 1.00 0.00 O ATOM 1734 CB HIS A 114 -0.256 -0.134 2.450 1.00 0.00 C ATOM 1735 CG HIS A 114 -0.924 1.205 2.277 1.00 0.00 C ATOM 1736 ND1 HIS A 114 -0.886 1.902 1.079 1.00 0.00 N ATOM 1737 CD2 HIS A 114 -1.639 1.992 3.146 1.00 0.00 C ATOM 1738 CE1 HIS A 114 -1.561 3.053 1.258 1.00 0.00 C ATOM 1739 NE2 HIS A 114 -2.040 3.158 2.500 1.00 0.00 N ATOM 0 H HIS A 114 -1.091 -2.169 3.864 1.00 0.00 H new ATOM 0 HA HIS A 114 -1.939 -0.889 1.255 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -0.020 -0.298 3.501 1.00 0.00 H new ATOM 0 HB3 HIS A 114 0.688 -0.151 1.905 1.00 0.00 H new ATOM 0 HD1 HIS A 114 -0.430 1.598 0.219 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -1.857 1.744 4.174 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -1.698 3.800 0.491 1.00 0.00 H new ATOM 1747 N ILE A 115 0.350 -1.855 0.167 1.00 0.00 N ATOM 1748 CA ILE A 115 1.204 -2.778 -0.643 1.00 0.00 C ATOM 1749 C ILE A 115 2.281 -1.933 -1.336 1.00 0.00 C ATOM 1750 O ILE A 115 1.985 -1.091 -2.160 1.00 0.00 O ATOM 1751 CB ILE A 115 0.259 -3.482 -1.661 1.00 0.00 C ATOM 1752 CG1 ILE A 115 0.750 -3.271 -3.099 1.00 0.00 C ATOM 1753 CG2 ILE A 115 -1.170 -2.940 -1.549 1.00 0.00 C ATOM 1754 CD1 ILE A 115 -0.106 -4.103 -4.055 1.00 0.00 C ATOM 0 H ILE A 115 0.367 -0.882 -0.139 1.00 0.00 H new ATOM 0 HA ILE A 115 1.709 -3.537 -0.045 1.00 0.00 H new ATOM 0 HB ILE A 115 0.265 -4.546 -1.424 1.00 0.00 H new ATOM 0 HG12 ILE A 115 0.690 -2.216 -3.364 1.00 0.00 H new ATOM 0 HG13 ILE A 115 1.797 -3.562 -3.184 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -1.810 -3.448 -2.271 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -1.548 -3.116 -0.542 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -1.170 -1.870 -1.755 1.00 0.00 H new ATOM 0 HD11 ILE A 115 0.241 -3.954 -5.077 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -0.023 -5.158 -3.793 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -1.147 -3.791 -3.977 1.00 0.00 H new ATOM 1766 N ILE A 116 3.520 -2.120 -0.980 1.00 0.00 N ATOM 1767 CA ILE A 116 4.598 -1.290 -1.590 1.00 0.00 C ATOM 1768 C ILE A 116 5.503 -2.107 -2.513 1.00 0.00 C ATOM 1769 O ILE A 116 5.621 -3.310 -2.390 1.00 0.00 O ATOM 1770 CB ILE A 116 5.389 -0.772 -0.394 1.00 0.00 C ATOM 1771 CG1 ILE A 116 4.435 -0.051 0.556 1.00 0.00 C ATOM 1772 CG2 ILE A 116 6.471 0.201 -0.869 1.00 0.00 C ATOM 1773 CD1 ILE A 116 4.538 -0.667 1.951 1.00 0.00 C ATOM 0 H ILE A 116 3.834 -2.808 -0.296 1.00 0.00 H new ATOM 0 HA ILE A 116 4.188 -0.496 -2.214 1.00 0.00 H new ATOM 0 HB ILE A 116 5.864 -1.607 0.120 1.00 0.00 H new ATOM 0 HG12 ILE A 116 4.680 1.010 0.597 1.00 0.00 H new ATOM 0 HG13 ILE A 116 3.412 -0.128 0.188 1.00 0.00 H new ATOM 0 HG21 ILE A 116 7.033 0.568 -0.010 1.00 0.00 H new ATOM 0 HG22 ILE A 116 7.147 -0.312 -1.553 1.00 0.00 H new ATOM 0 HG23 ILE A 116 6.004 1.041 -1.383 1.00 0.00 H new ATOM 0 HD11 ILE A 116 3.857 -0.151 2.628 1.00 0.00 H new ATOM 0 HD12 ILE A 116 4.272 -1.723 1.903 1.00 0.00 H new ATOM 0 HD13 ILE A 116 5.559 -0.567 2.319 1.00 0.00 H new ATOM 1785 N LYS A 117 6.156 -1.440 -3.427 1.00 0.00 N ATOM 1786 CA LYS A 117 7.081 -2.138 -4.366 1.00 0.00 C ATOM 1787 C LYS A 117 8.468 -1.492 -4.279 1.00 0.00 C ATOM 1788 O LYS A 117 8.709 -0.644 -3.442 1.00 0.00 O ATOM 1789 CB LYS A 117 6.472 -1.929 -5.753 1.00 0.00 C ATOM 1790 CG LYS A 117 6.873 -3.091 -6.663 1.00 0.00 C ATOM 1791 CD LYS A 117 5.679 -3.495 -7.530 1.00 0.00 C ATOM 1792 CE LYS A 117 5.351 -4.971 -7.296 1.00 0.00 C ATOM 1793 NZ LYS A 117 5.689 -5.646 -8.580 1.00 0.00 N ATOM 0 H LYS A 117 6.087 -0.432 -3.564 1.00 0.00 H new ATOM 0 HA LYS A 117 7.198 -3.197 -4.138 1.00 0.00 H new ATOM 0 HB2 LYS A 117 5.386 -1.867 -5.680 1.00 0.00 H new ATOM 0 HB3 LYS A 117 6.817 -0.985 -6.176 1.00 0.00 H new ATOM 0 HG2 LYS A 117 7.712 -2.800 -7.294 1.00 0.00 H new ATOM 0 HG3 LYS A 117 7.204 -3.939 -6.063 1.00 0.00 H new ATOM 0 HD2 LYS A 117 4.815 -2.877 -7.287 1.00 0.00 H new ATOM 0 HD3 LYS A 117 5.907 -3.325 -8.582 1.00 0.00 H new ATOM 0 HE2 LYS A 117 5.933 -5.379 -6.470 1.00 0.00 H new ATOM 0 HE3 LYS A 117 4.300 -5.107 -7.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 5.491 -6.664 -8.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 5.115 -5.241 -9.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 6.697 -5.505 -8.791 1.00 0.00 H new ATOM 1807 N ARG A 118 9.384 -1.877 -5.126 1.00 0.00 N ATOM 1808 CA ARG A 118 10.744 -1.266 -5.059 1.00 0.00 C ATOM 1809 C ARG A 118 11.568 -1.621 -6.306 1.00 0.00 C ATOM 1810 O ARG A 118 11.040 -1.742 -7.393 1.00 0.00 O ATOM 1811 CB ARG A 118 11.373 -1.862 -3.797 1.00 0.00 C ATOM 1812 CG ARG A 118 11.879 -0.733 -2.897 1.00 0.00 C ATOM 1813 CD ARG A 118 12.967 -1.272 -1.965 1.00 0.00 C ATOM 1814 NE ARG A 118 14.120 -0.348 -2.147 1.00 0.00 N ATOM 1815 CZ ARG A 118 15.074 -0.312 -1.257 1.00 0.00 C ATOM 1816 NH1 ARG A 118 16.012 -1.221 -1.266 1.00 0.00 N ATOM 1817 NH2 ARG A 118 15.091 0.632 -0.357 1.00 0.00 N ATOM 0 H ARG A 118 9.253 -2.580 -5.854 1.00 0.00 H new ATOM 0 HA ARG A 118 10.706 -0.177 -5.025 1.00 0.00 H new ATOM 0 HB2 ARG A 118 10.640 -2.466 -3.263 1.00 0.00 H new ATOM 0 HB3 ARG A 118 12.196 -2.524 -4.066 1.00 0.00 H new ATOM 0 HG2 ARG A 118 12.276 0.081 -3.504 1.00 0.00 H new ATOM 0 HG3 ARG A 118 11.055 -0.322 -2.313 1.00 0.00 H new ATOM 0 HD2 ARG A 118 12.629 -1.283 -0.929 1.00 0.00 H new ATOM 0 HD3 ARG A 118 13.237 -2.296 -2.223 1.00 0.00 H new ATOM 0 HE ARG A 118 14.164 0.257 -2.967 1.00 0.00 H new ATOM 0 HH11 ARG A 118 15.999 -1.960 -1.969 1.00 0.00 H new ATOM 0 HH12 ARG A 118 16.757 -1.192 -0.570 1.00 0.00 H new ATOM 0 HH21 ARG A 118 14.359 1.342 -0.349 1.00 0.00 H new ATOM 0 HH22 ARG A 118 15.837 0.660 0.339 1.00 0.00 H new ATOM 1831 N THR A 119 12.861 -1.768 -6.151 1.00 0.00 N ATOM 1832 CA THR A 119 13.744 -2.099 -7.315 1.00 0.00 C ATOM 1833 C THR A 119 13.279 -3.376 -8.030 1.00 0.00 C ATOM 1834 O THR A 119 12.101 -3.613 -8.204 1.00 0.00 O ATOM 1835 CB THR A 119 15.129 -2.303 -6.698 1.00 0.00 C ATOM 1836 OG1 THR A 119 15.191 -1.628 -5.449 1.00 0.00 O ATOM 1837 CG2 THR A 119 16.197 -1.743 -7.639 1.00 0.00 C ATOM 0 H THR A 119 13.348 -1.672 -5.260 1.00 0.00 H new ATOM 0 HA THR A 119 13.730 -1.313 -8.070 1.00 0.00 H new ATOM 0 HB THR A 119 15.308 -3.367 -6.546 1.00 0.00 H new ATOM 0 HG1 THR A 119 16.077 -1.758 -5.050 1.00 0.00 H new ATOM 0 HG21 THR A 119 17.183 -1.889 -7.198 1.00 0.00 H new ATOM 0 HG22 THR A 119 16.147 -2.262 -8.596 1.00 0.00 H new ATOM 0 HG23 THR A 119 16.023 -0.678 -7.794 1.00 0.00 H new ATOM 1845 N ALA A 120 14.202 -4.202 -8.446 1.00 0.00 N ATOM 1846 CA ALA A 120 13.818 -5.462 -9.146 1.00 0.00 C ATOM 1847 C ALA A 120 13.137 -5.142 -10.479 1.00 0.00 C ATOM 1848 O ALA A 120 11.978 -5.492 -10.628 1.00 0.00 O ATOM 1849 CB ALA A 120 12.843 -6.165 -8.201 1.00 0.00 C ATOM 1850 OXT ALA A 120 13.785 -4.550 -11.326 1.00 0.00 O ATOM 0 H ALA A 120 15.205 -4.058 -8.331 1.00 0.00 H new ATOM 0 HA ALA A 120 14.683 -6.085 -9.373 1.00 0.00 H new ATOM 0 HB1 ALA A 120 12.515 -7.103 -8.649 1.00 0.00 H new ATOM 0 HB2 ALA A 120 13.339 -6.369 -7.252 1.00 0.00 H new ATOM 0 HB3 ALA A 120 11.979 -5.524 -8.027 1.00 0.00 H new