USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 616 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 54 MET CE :methyl -168:sc= -0.795 (180deg=-1.03) USER MOD Set 1.2: A 74 CYS SG : rot 101:sc= 0.279 USER MOD Set 1.3: A 77 MET CE :methyl 138:sc= -0.911 (180deg=-2.81!) USER MOD Set 2.1: A 64 MET CE :methyl -127:sc= -0.606 (180deg=-6.25!) USER MOD Set 2.2: A 65 GLN : amide:sc= -2.21 K(o=-2.8,f=-4.3!) USER MOD Set 3.1: A 11 THR OG1 : rot 180:sc= -0.0261 USER MOD Set 3.2: A 12 SER OG : rot -164:sc= 1.22 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 CYS SG : rot -47:sc= 0.463 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0.0125 X(o=0.013,f=-0.025) USER MOD Single : A 21 GLN : amide:sc= -3.21! C(o=-3.2!,f=-7.5!) USER MOD Single : A 26 SER OG : rot 180:sc= 0.0119 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0.069 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc=-0.00882 X(o=-0.0088,f=0) USER MOD Single : A 34 CYS SG : rot -140:sc= -0.548 USER MOD Single : A 36 GLN :FLIP amide:sc= 0 F(o=-1.5,f=0) USER MOD Single : A 38 HIS :FLIP no HE2:sc= 0.0341 F(o=-0.54,f=0.034) USER MOD Single : A 39 ASN : amide:sc= -0.148 X(o=-0.15,f=-0.15) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -161:sc= 1.13 (180deg=0.683) USER MOD Single : A 56 SER OG : rot 80:sc= 0.0369 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot -45:sc= 0.0123 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 ASN : amide:sc= 0.765 K(o=0.77,f=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 98 N VAL A 8 -1.655 -9.241 5.320 1.00 0.00 N ATOM 99 CA VAL A 8 -2.880 -8.461 5.159 1.00 0.00 C ATOM 100 C VAL A 8 -3.589 -8.175 6.488 1.00 0.00 C ATOM 101 O VAL A 8 -4.816 -8.099 6.595 1.00 0.00 O ATOM 102 CB VAL A 8 -3.768 -9.098 4.061 1.00 0.00 C ATOM 103 CG1 VAL A 8 -3.007 -9.305 2.742 1.00 0.00 C ATOM 104 CG2 VAL A 8 -4.431 -10.430 4.439 1.00 0.00 C ATOM 0 HA VAL A 8 -2.620 -7.463 4.806 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.562 -8.361 3.940 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.672 -9.754 2.005 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.652 -8.343 2.372 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.156 -9.965 2.912 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.029 -10.789 3.602 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -3.662 -11.165 4.677 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.073 -10.283 5.307 1.00 0.00 H new ATOM 114 N LYS A 9 -2.822 -7.886 7.538 1.00 0.00 N ATOM 115 CA LYS A 9 -3.316 -7.767 8.912 1.00 0.00 C ATOM 116 C LYS A 9 -3.403 -6.357 9.490 1.00 0.00 C ATOM 117 O LYS A 9 -3.836 -6.246 10.637 1.00 0.00 O ATOM 118 CB LYS A 9 -2.586 -8.740 9.837 1.00 0.00 C ATOM 119 CG LYS A 9 -1.072 -8.551 9.776 1.00 0.00 C ATOM 120 CD LYS A 9 -0.466 -9.871 9.318 1.00 0.00 C ATOM 121 CE LYS A 9 1.053 -9.807 9.456 1.00 0.00 C ATOM 122 NZ LYS A 9 1.580 -10.066 10.805 1.00 0.00 N ATOM 0 H LYS A 9 -1.818 -7.724 7.457 1.00 0.00 H new ATOM 0 HA LYS A 9 -4.366 -8.052 8.848 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -2.930 -8.595 10.861 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.836 -9.764 9.559 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.813 -7.749 9.084 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.681 -8.268 10.753 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -0.862 -10.692 9.915 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.740 -10.069 8.282 1.00 0.00 H new ATOM 0 HE2 LYS A 9 1.493 -10.529 8.769 1.00 0.00 H new ATOM 0 HE3 LYS A 9 1.388 -8.820 9.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 2.618 -9.999 10.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 1.196 -9.363 11.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 1.299 -11.020 11.110 1.00 0.00 H new ATOM 136 N CYS A 10 -3.066 -5.340 8.695 1.00 0.00 N ATOM 137 CA CYS A 10 -3.023 -3.905 8.994 1.00 0.00 C ATOM 138 C CYS A 10 -1.925 -3.552 10.008 1.00 0.00 C ATOM 139 O CYS A 10 -1.463 -4.409 10.769 1.00 0.00 O ATOM 140 CB CYS A 10 -4.410 -3.341 9.364 1.00 0.00 C ATOM 141 SG CYS A 10 -4.857 -3.484 11.113 1.00 0.00 S ATOM 0 H CYS A 10 -2.789 -5.517 7.730 1.00 0.00 H new ATOM 0 HA CYS A 10 -2.740 -3.398 8.072 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -4.444 -2.289 9.081 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -5.165 -3.856 8.769 1.00 0.00 H new ATOM 0 HG CYS A 10 -4.591 -4.685 11.532 1.00 0.00 H new ATOM 147 N THR A 11 -1.486 -2.289 10.011 1.00 0.00 N ATOM 148 CA THR A 11 -0.384 -1.860 10.868 1.00 0.00 C ATOM 149 C THR A 11 -0.562 -0.384 11.211 1.00 0.00 C ATOM 150 O THR A 11 -1.318 -0.069 12.133 1.00 0.00 O ATOM 151 CB THR A 11 0.969 -2.310 10.236 1.00 0.00 C ATOM 152 OG1 THR A 11 2.049 -1.457 10.527 1.00 0.00 O ATOM 153 CG2 THR A 11 0.949 -2.501 8.709 1.00 0.00 C ATOM 0 H THR A 11 -1.879 -1.549 9.429 1.00 0.00 H new ATOM 0 HA THR A 11 -0.379 -2.349 11.842 1.00 0.00 H new ATOM 0 HB THR A 11 1.111 -3.279 10.714 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.862 -1.801 10.101 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.936 -2.814 8.368 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.216 -3.264 8.447 1.00 0.00 H new ATOM 0 HG23 THR A 11 0.681 -1.560 8.228 1.00 0.00 H new ATOM 161 N SER A 12 -0.057 0.514 10.385 1.00 0.00 N ATOM 162 CA SER A 12 -0.262 1.936 10.459 1.00 0.00 C ATOM 163 C SER A 12 -1.679 2.197 9.957 1.00 0.00 C ATOM 164 O SER A 12 -2.060 1.709 8.888 1.00 0.00 O ATOM 165 CB SER A 12 0.782 2.557 9.536 1.00 0.00 C ATOM 166 OG SER A 12 2.102 2.261 9.957 1.00 0.00 O ATOM 0 H SER A 12 0.540 0.248 9.602 1.00 0.00 H new ATOM 0 HA SER A 12 -0.158 2.353 11.461 1.00 0.00 H new ATOM 0 HB2 SER A 12 0.634 2.189 8.521 1.00 0.00 H new ATOM 0 HB3 SER A 12 0.644 3.638 9.507 1.00 0.00 H new ATOM 0 HG SER A 12 2.731 2.869 9.515 1.00 0.00 H new ATOM 172 N VAL A 13 -2.480 2.966 10.693 1.00 0.00 N ATOM 173 CA VAL A 13 -3.780 3.396 10.174 1.00 0.00 C ATOM 174 C VAL A 13 -3.646 4.298 8.957 1.00 0.00 C ATOM 175 O VAL A 13 -4.605 4.385 8.193 1.00 0.00 O ATOM 176 CB VAL A 13 -4.626 4.121 11.223 1.00 0.00 C ATOM 177 CG1 VAL A 13 -5.233 3.105 12.175 1.00 0.00 C ATOM 178 CG2 VAL A 13 -3.867 5.220 11.969 1.00 0.00 C ATOM 0 H VAL A 13 -2.260 3.299 11.632 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.285 2.473 9.888 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.425 4.643 10.696 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.836 3.621 12.922 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.863 2.413 11.616 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.437 2.550 12.671 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.529 5.690 12.696 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.011 4.785 12.485 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.519 5.969 11.258 1.00 0.00 H new ATOM 188 N VAL A 14 -2.474 4.909 8.743 1.00 0.00 N ATOM 189 CA VAL A 14 -2.209 5.851 7.666 1.00 0.00 C ATOM 190 C VAL A 14 -2.781 5.308 6.362 1.00 0.00 C ATOM 191 O VAL A 14 -3.501 6.036 5.672 1.00 0.00 O ATOM 192 CB VAL A 14 -0.685 6.087 7.549 1.00 0.00 C ATOM 193 CG1 VAL A 14 -0.366 7.048 6.397 1.00 0.00 C ATOM 194 CG2 VAL A 14 -0.093 6.667 8.841 1.00 0.00 C ATOM 0 H VAL A 14 -1.661 4.751 9.339 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.689 6.806 7.880 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.237 5.112 7.359 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.712 7.198 6.336 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.727 6.625 5.460 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.855 8.005 6.576 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.979 6.817 8.715 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.569 7.622 9.063 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.268 5.974 9.664 1.00 0.00 H new ATOM 204 N LEU A 15 -2.513 4.039 6.057 1.00 0.00 N ATOM 205 CA LEU A 15 -2.896 3.411 4.797 1.00 0.00 C ATOM 206 C LEU A 15 -4.379 3.078 4.755 1.00 0.00 C ATOM 207 O LEU A 15 -5.012 3.245 3.713 1.00 0.00 O ATOM 208 CB LEU A 15 -2.057 2.161 4.459 1.00 0.00 C ATOM 209 CG LEU A 15 -1.675 1.226 5.623 1.00 0.00 C ATOM 210 CD1 LEU A 15 -1.630 -0.254 5.224 1.00 0.00 C ATOM 211 CD2 LEU A 15 -0.294 1.607 6.156 1.00 0.00 C ATOM 0 H LEU A 15 -2.016 3.411 6.689 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.686 4.156 4.029 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.608 1.575 3.723 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.137 2.493 3.978 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.451 1.350 6.378 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.355 -0.856 6.090 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.611 -0.564 4.864 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.892 -0.396 4.434 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.026 0.944 6.979 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.443 1.511 5.359 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.313 2.637 6.511 1.00 0.00 H new ATOM 223 N LEU A 16 -4.936 2.592 5.861 1.00 0.00 N ATOM 224 CA LEU A 16 -6.337 2.180 5.931 1.00 0.00 C ATOM 225 C LEU A 16 -7.268 3.383 5.851 1.00 0.00 C ATOM 226 O LEU A 16 -8.352 3.296 5.267 1.00 0.00 O ATOM 227 CB LEU A 16 -6.600 1.429 7.246 1.00 0.00 C ATOM 228 CG LEU A 16 -6.190 -0.053 7.273 1.00 0.00 C ATOM 229 CD1 LEU A 16 -6.869 -0.812 6.130 1.00 0.00 C ATOM 230 CD2 LEU A 16 -4.674 -0.252 7.202 1.00 0.00 C ATOM 0 H LEU A 16 -4.428 2.472 6.737 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.535 1.525 5.082 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.072 1.946 8.048 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -7.664 1.495 7.471 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.521 -0.452 8.231 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.570 -1.860 6.161 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.951 -0.740 6.238 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.570 -0.377 5.176 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.445 -1.318 7.225 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.293 0.181 6.277 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.202 0.239 8.053 1.00 0.00 H new ATOM 242 N SER A 17 -6.855 4.491 6.455 1.00 0.00 N ATOM 243 CA SER A 17 -7.604 5.735 6.499 1.00 0.00 C ATOM 244 C SER A 17 -7.846 6.255 5.081 1.00 0.00 C ATOM 245 O SER A 17 -8.973 6.635 4.767 1.00 0.00 O ATOM 246 CB SER A 17 -6.883 6.733 7.405 1.00 0.00 C ATOM 247 OG SER A 17 -7.775 7.718 7.887 1.00 0.00 O ATOM 0 H SER A 17 -5.961 4.547 6.942 1.00 0.00 H new ATOM 0 HA SER A 17 -8.591 5.573 6.933 1.00 0.00 H new ATOM 0 HB2 SER A 17 -6.430 6.206 8.245 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.073 7.210 6.854 1.00 0.00 H new ATOM 0 HG SER A 17 -7.290 8.343 8.465 1.00 0.00 H new ATOM 253 N VAL A 18 -6.856 6.150 4.181 1.00 0.00 N ATOM 254 CA VAL A 18 -6.997 6.525 2.779 1.00 0.00 C ATOM 255 C VAL A 18 -8.211 5.853 2.153 1.00 0.00 C ATOM 256 O VAL A 18 -8.871 6.463 1.321 1.00 0.00 O ATOM 257 CB VAL A 18 -5.727 6.140 1.980 1.00 0.00 C ATOM 258 CG1 VAL A 18 -5.697 6.742 0.577 1.00 0.00 C ATOM 259 CG2 VAL A 18 -4.415 6.524 2.668 1.00 0.00 C ATOM 0 H VAL A 18 -5.928 5.798 4.416 1.00 0.00 H new ATOM 0 HA VAL A 18 -7.133 7.606 2.740 1.00 0.00 H new ATOM 0 HB VAL A 18 -5.796 5.054 1.923 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.783 6.435 0.069 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.561 6.392 0.012 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.726 7.829 0.647 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.574 6.220 2.044 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.385 7.603 2.817 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.350 6.022 3.634 1.00 0.00 H new ATOM 269 N LEU A 19 -8.505 4.609 2.534 1.00 0.00 N ATOM 270 CA LEU A 19 -9.484 3.777 1.857 1.00 0.00 C ATOM 271 C LEU A 19 -10.871 4.044 2.404 1.00 0.00 C ATOM 272 O LEU A 19 -11.818 4.222 1.634 1.00 0.00 O ATOM 273 CB LEU A 19 -9.120 2.298 2.043 1.00 0.00 C ATOM 274 CG LEU A 19 -7.674 1.965 1.674 1.00 0.00 C ATOM 275 CD1 LEU A 19 -7.417 0.487 1.957 1.00 0.00 C ATOM 276 CD2 LEU A 19 -7.371 2.344 0.220 1.00 0.00 C ATOM 0 H LEU A 19 -8.062 4.152 3.331 1.00 0.00 H new ATOM 0 HA LEU A 19 -9.479 4.018 0.794 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.293 2.019 3.083 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -9.789 1.690 1.434 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.993 2.556 2.287 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.388 0.240 1.697 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.582 0.285 3.015 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.098 -0.121 1.361 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.336 2.095 -0.013 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.035 1.793 -0.446 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.527 3.414 0.083 1.00 0.00 H new ATOM 288 N GLN A 20 -10.975 4.040 3.730 1.00 0.00 N ATOM 289 CA GLN A 20 -12.228 4.200 4.447 1.00 0.00 C ATOM 290 C GLN A 20 -12.706 5.655 4.432 1.00 0.00 C ATOM 291 O GLN A 20 -13.842 5.951 4.792 1.00 0.00 O ATOM 292 CB GLN A 20 -12.038 3.685 5.887 1.00 0.00 C ATOM 293 CG GLN A 20 -11.201 4.644 6.739 1.00 0.00 C ATOM 294 CD GLN A 20 -10.690 4.049 8.047 1.00 0.00 C ATOM 295 OE1 GLN A 20 -11.070 4.476 9.137 1.00 0.00 O ATOM 296 NE2 GLN A 20 -9.769 3.103 7.968 1.00 0.00 N ATOM 0 H GLN A 20 -10.170 3.923 4.346 1.00 0.00 H new ATOM 0 HA GLN A 20 -13.004 3.618 3.951 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -13.014 3.545 6.353 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -11.554 2.709 5.861 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -10.348 4.982 6.151 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -11.801 5.526 6.966 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -9.466 2.761 7.056 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -9.362 2.715 8.819 1.00 0.00 H new ATOM 305 N GLN A 21 -11.863 6.593 4.000 1.00 0.00 N ATOM 306 CA GLN A 21 -12.273 7.931 3.640 1.00 0.00 C ATOM 307 C GLN A 21 -13.248 7.880 2.454 1.00 0.00 C ATOM 308 O GLN A 21 -14.040 8.807 2.273 1.00 0.00 O ATOM 309 CB GLN A 21 -10.984 8.704 3.345 1.00 0.00 C ATOM 310 CG GLN A 21 -11.197 10.141 2.893 1.00 0.00 C ATOM 311 CD GLN A 21 -9.877 10.764 2.477 1.00 0.00 C ATOM 312 OE1 GLN A 21 -9.662 10.980 1.288 1.00 0.00 O ATOM 313 NE2 GLN A 21 -8.927 10.942 3.386 1.00 0.00 N ATOM 0 H GLN A 21 -10.862 6.432 3.892 1.00 0.00 H new ATOM 0 HA GLN A 21 -12.819 8.437 4.436 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -10.364 8.707 4.242 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -10.426 8.173 2.574 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -11.898 10.167 2.059 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -11.642 10.721 3.701 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -9.122 10.758 4.370 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -8.002 11.263 3.101 1.00 0.00 H new ATOM 322 N LEU A 22 -13.216 6.807 1.651 1.00 0.00 N ATOM 323 CA LEU A 22 -14.080 6.655 0.487 1.00 0.00 C ATOM 324 C LEU A 22 -15.252 5.729 0.770 1.00 0.00 C ATOM 325 O LEU A 22 -16.379 6.221 0.818 1.00 0.00 O ATOM 326 CB LEU A 22 -13.323 6.246 -0.780 1.00 0.00 C ATOM 327 CG LEU A 22 -12.312 7.288 -1.276 1.00 0.00 C ATOM 328 CD1 LEU A 22 -12.832 8.709 -1.387 1.00 0.00 C ATOM 329 CD2 LEU A 22 -11.022 7.263 -0.477 1.00 0.00 C ATOM 0 H LEU A 22 -12.584 6.020 1.797 1.00 0.00 H new ATOM 0 HA LEU A 22 -14.486 7.646 0.285 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -12.798 5.310 -0.589 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -14.045 6.051 -1.573 1.00 0.00 H new ATOM 0 HG LEU A 22 -12.112 6.970 -2.299 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -12.036 9.361 -1.746 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -13.667 8.737 -2.087 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -13.167 9.051 -0.408 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -10.339 8.018 -0.866 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -11.238 7.474 0.570 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -10.561 6.279 -0.561 1.00 0.00 H new ATOM 341 N ARG A 23 -15.003 4.413 0.860 1.00 0.00 N ATOM 342 CA ARG A 23 -16.000 3.382 1.191 1.00 0.00 C ATOM 343 C ARG A 23 -15.404 1.985 1.338 1.00 0.00 C ATOM 344 O ARG A 23 -15.866 1.257 2.212 1.00 0.00 O ATOM 345 CB ARG A 23 -17.179 3.307 0.194 1.00 0.00 C ATOM 346 CG ARG A 23 -16.931 2.947 -1.289 1.00 0.00 C ATOM 347 CD ARG A 23 -16.206 4.047 -2.074 1.00 0.00 C ATOM 348 NE ARG A 23 -16.647 4.169 -3.485 1.00 0.00 N ATOM 349 CZ ARG A 23 -17.652 4.914 -3.966 1.00 0.00 C ATOM 350 NH1 ARG A 23 -18.602 5.411 -3.178 1.00 0.00 N ATOM 351 NH2 ARG A 23 -17.722 5.182 -5.267 1.00 0.00 N ATOM 0 H ARG A 23 -14.073 4.025 0.699 1.00 0.00 H new ATOM 0 HA ARG A 23 -16.381 3.711 2.158 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -17.887 2.578 0.588 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -17.677 4.277 0.211 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -16.344 2.030 -1.338 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -17.887 2.740 -1.769 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -16.362 5.001 -1.571 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -15.135 3.848 -2.054 1.00 0.00 H new ATOM 0 HE ARG A 23 -16.124 3.622 -4.169 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -18.579 5.229 -2.175 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -19.353 5.974 -3.577 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -17.010 4.820 -5.901 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -18.488 5.749 -5.630 1.00 0.00 H new ATOM 365 N VAL A 24 -14.470 1.636 0.450 1.00 0.00 N ATOM 366 CA VAL A 24 -13.625 0.437 0.366 1.00 0.00 C ATOM 367 C VAL A 24 -14.315 -0.897 0.663 1.00 0.00 C ATOM 368 O VAL A 24 -14.890 -1.155 1.722 1.00 0.00 O ATOM 369 CB VAL A 24 -12.273 0.619 1.066 1.00 0.00 C ATOM 370 CG1 VAL A 24 -12.547 0.994 2.503 1.00 0.00 C ATOM 371 CG2 VAL A 24 -11.396 -0.641 0.969 1.00 0.00 C ATOM 0 H VAL A 24 -14.261 2.265 -0.325 1.00 0.00 H new ATOM 0 HA VAL A 24 -13.408 0.342 -0.698 1.00 0.00 H new ATOM 0 HB VAL A 24 -11.708 1.409 0.571 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -11.603 1.131 3.030 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -13.118 1.922 2.534 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -13.119 0.200 2.984 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -10.449 -0.465 1.479 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -11.911 -1.479 1.438 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -11.206 -0.873 -0.079 1.00 0.00 H new ATOM 381 N GLU A 25 -14.140 -1.842 -0.239 1.00 0.00 N ATOM 382 CA GLU A 25 -14.766 -3.124 -0.179 1.00 0.00 C ATOM 383 C GLU A 25 -13.815 -4.090 0.518 1.00 0.00 C ATOM 384 O GLU A 25 -12.861 -4.572 -0.092 1.00 0.00 O ATOM 385 CB GLU A 25 -15.107 -3.492 -1.616 1.00 0.00 C ATOM 386 CG GLU A 25 -15.972 -2.384 -2.239 1.00 0.00 C ATOM 387 CD GLU A 25 -16.399 -2.677 -3.679 1.00 0.00 C ATOM 388 OE1 GLU A 25 -15.831 -3.596 -4.323 1.00 0.00 O ATOM 389 OE2 GLU A 25 -17.146 -1.845 -4.237 1.00 0.00 O ATOM 0 H GLU A 25 -13.538 -1.724 -1.054 1.00 0.00 H new ATOM 0 HA GLU A 25 -15.688 -3.148 0.402 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -14.193 -3.623 -2.195 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -15.640 -4.442 -1.642 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -16.862 -2.242 -1.627 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -15.417 -1.446 -2.217 1.00 0.00 H new ATOM 396 N SER A 26 -14.059 -4.351 1.803 1.00 0.00 N ATOM 397 CA SER A 26 -13.443 -5.443 2.550 1.00 0.00 C ATOM 398 C SER A 26 -13.698 -6.780 1.844 1.00 0.00 C ATOM 399 O SER A 26 -12.829 -7.647 1.762 1.00 0.00 O ATOM 400 CB SER A 26 -14.029 -5.445 3.968 1.00 0.00 C ATOM 401 OG SER A 26 -15.442 -5.245 3.976 1.00 0.00 O ATOM 0 H SER A 26 -14.705 -3.795 2.364 1.00 0.00 H new ATOM 0 HA SER A 26 -12.363 -5.304 2.604 1.00 0.00 H new ATOM 0 HB2 SER A 26 -13.797 -6.394 4.452 1.00 0.00 H new ATOM 0 HB3 SER A 26 -13.551 -4.662 4.556 1.00 0.00 H new ATOM 0 HG SER A 26 -15.769 -5.256 4.900 1.00 0.00 H new ATOM 407 N SER A 27 -14.897 -6.931 1.281 1.00 0.00 N ATOM 408 CA SER A 27 -15.305 -8.026 0.415 1.00 0.00 C ATOM 409 C SER A 27 -14.796 -7.821 -1.018 1.00 0.00 C ATOM 410 O SER A 27 -15.561 -7.943 -1.985 1.00 0.00 O ATOM 411 CB SER A 27 -16.825 -8.146 0.480 1.00 0.00 C ATOM 412 OG SER A 27 -17.273 -8.135 1.824 1.00 0.00 O ATOM 0 H SER A 27 -15.646 -6.254 1.428 1.00 0.00 H new ATOM 0 HA SER A 27 -14.861 -8.961 0.757 1.00 0.00 H new ATOM 0 HB2 SER A 27 -17.283 -7.322 -0.068 1.00 0.00 H new ATOM 0 HB3 SER A 27 -17.143 -9.068 -0.007 1.00 0.00 H new ATOM 0 HG SER A 27 -18.250 -8.211 1.844 1.00 0.00 H new ATOM 418 N SER A 28 -13.522 -7.464 -1.155 1.00 0.00 N ATOM 419 CA SER A 28 -12.780 -7.386 -2.394 1.00 0.00 C ATOM 420 C SER A 28 -11.308 -7.574 -2.043 1.00 0.00 C ATOM 421 O SER A 28 -10.876 -7.249 -0.936 1.00 0.00 O ATOM 422 CB SER A 28 -12.964 -5.996 -3.012 1.00 0.00 C ATOM 423 OG SER A 28 -12.451 -5.948 -4.330 1.00 0.00 O ATOM 0 H SER A 28 -12.952 -7.207 -0.349 1.00 0.00 H new ATOM 0 HA SER A 28 -13.124 -8.141 -3.101 1.00 0.00 H new ATOM 0 HB2 SER A 28 -14.023 -5.737 -3.022 1.00 0.00 H new ATOM 0 HB3 SER A 28 -12.460 -5.252 -2.396 1.00 0.00 H new ATOM 0 HG SER A 28 -12.583 -5.050 -4.700 1.00 0.00 H new ATOM 429 N LYS A 29 -10.501 -7.954 -3.035 1.00 0.00 N ATOM 430 CA LYS A 29 -9.053 -7.799 -2.932 1.00 0.00 C ATOM 431 C LYS A 29 -8.637 -6.347 -2.734 1.00 0.00 C ATOM 432 O LYS A 29 -7.512 -6.099 -2.322 1.00 0.00 O ATOM 433 CB LYS A 29 -8.349 -8.423 -4.144 1.00 0.00 C ATOM 434 CG LYS A 29 -8.120 -7.548 -5.389 1.00 0.00 C ATOM 435 CD LYS A 29 -9.395 -7.257 -6.198 1.00 0.00 C ATOM 436 CE LYS A 29 -9.452 -5.793 -6.641 1.00 0.00 C ATOM 437 NZ LYS A 29 -10.678 -5.530 -7.430 1.00 0.00 N ATOM 0 H LYS A 29 -10.823 -8.367 -3.910 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.735 -8.337 -2.039 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.377 -8.788 -3.812 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.928 -9.294 -4.452 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.677 -6.602 -5.078 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.396 -8.041 -6.038 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.428 -7.905 -7.074 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.272 -7.491 -5.595 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.430 -5.143 -5.767 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.572 -5.554 -7.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.697 -4.531 -7.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.684 -6.136 -8.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.516 -5.737 -6.849 1.00 0.00 H new ATOM 451 N LEU A 30 -9.489 -5.387 -3.086 1.00 0.00 N ATOM 452 CA LEU A 30 -9.160 -3.962 -3.091 1.00 0.00 C ATOM 453 C LEU A 30 -8.599 -3.500 -1.749 1.00 0.00 C ATOM 454 O LEU A 30 -7.478 -3.008 -1.698 1.00 0.00 O ATOM 455 CB LEU A 30 -10.373 -3.121 -3.539 1.00 0.00 C ATOM 456 CG LEU A 30 -10.017 -1.753 -4.131 1.00 0.00 C ATOM 457 CD1 LEU A 30 -9.206 -0.877 -3.188 1.00 0.00 C ATOM 458 CD2 LEU A 30 -9.284 -1.884 -5.461 1.00 0.00 C ATOM 0 H LEU A 30 -10.446 -5.581 -3.382 1.00 0.00 H new ATOM 0 HA LEU A 30 -8.366 -3.806 -3.821 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -10.937 -3.687 -4.280 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -11.031 -2.972 -2.683 1.00 0.00 H new ATOM 0 HG LEU A 30 -10.975 -1.259 -4.295 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -8.990 0.075 -3.672 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.776 -0.700 -2.276 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -8.271 -1.378 -2.940 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.050 -0.892 -5.847 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.360 -2.443 -5.314 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.917 -2.411 -6.175 1.00 0.00 H new ATOM 470 N TRP A 31 -9.338 -3.662 -0.660 1.00 0.00 N ATOM 471 CA TRP A 31 -8.849 -3.382 0.689 1.00 0.00 C ATOM 472 C TRP A 31 -7.446 -3.963 0.920 1.00 0.00 C ATOM 473 O TRP A 31 -6.546 -3.276 1.410 1.00 0.00 O ATOM 474 CB TRP A 31 -9.890 -3.982 1.644 1.00 0.00 C ATOM 475 CG TRP A 31 -9.570 -3.940 3.096 1.00 0.00 C ATOM 476 CD1 TRP A 31 -9.564 -2.832 3.865 1.00 0.00 C ATOM 477 CD2 TRP A 31 -9.221 -5.046 3.978 1.00 0.00 C ATOM 478 NE1 TRP A 31 -9.250 -3.176 5.164 1.00 0.00 N ATOM 479 CE2 TRP A 31 -9.027 -4.525 5.290 1.00 0.00 C ATOM 480 CE3 TRP A 31 -9.061 -6.436 3.801 1.00 0.00 C ATOM 481 CZ2 TRP A 31 -8.687 -5.338 6.378 1.00 0.00 C ATOM 482 CZ3 TRP A 31 -8.733 -7.266 4.887 1.00 0.00 C ATOM 483 CH2 TRP A 31 -8.549 -6.722 6.169 1.00 0.00 C ATOM 0 H TRP A 31 -10.302 -3.994 -0.685 1.00 0.00 H new ATOM 0 HA TRP A 31 -8.738 -2.311 0.856 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -10.834 -3.460 1.489 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -10.051 -5.022 1.361 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -9.773 -1.831 3.518 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -9.191 -2.511 5.935 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -9.192 -6.868 2.820 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -8.534 -4.911 7.358 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -8.622 -8.329 4.735 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -8.301 -7.369 6.997 1.00 0.00 H new ATOM 494 N ALA A 32 -7.245 -5.209 0.493 1.00 0.00 N ATOM 495 CA ALA A 32 -6.016 -5.947 0.718 1.00 0.00 C ATOM 496 C ALA A 32 -4.884 -5.410 -0.160 1.00 0.00 C ATOM 497 O ALA A 32 -3.749 -5.401 0.300 1.00 0.00 O ATOM 498 CB ALA A 32 -6.264 -7.411 0.420 1.00 0.00 C ATOM 0 H ALA A 32 -7.946 -5.737 -0.027 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.712 -5.827 1.758 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.347 -7.976 0.586 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -7.047 -7.789 1.078 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.577 -7.523 -0.618 1.00 0.00 H new ATOM 504 N GLN A 33 -5.165 -4.920 -1.380 1.00 0.00 N ATOM 505 CA GLN A 33 -4.182 -4.377 -2.330 1.00 0.00 C ATOM 506 C GLN A 33 -3.252 -3.414 -1.612 1.00 0.00 C ATOM 507 O GLN A 33 -2.041 -3.413 -1.812 1.00 0.00 O ATOM 508 CB GLN A 33 -4.859 -3.592 -3.474 1.00 0.00 C ATOM 509 CG GLN A 33 -5.415 -4.473 -4.584 1.00 0.00 C ATOM 510 CD GLN A 33 -4.363 -4.711 -5.648 1.00 0.00 C ATOM 511 OE1 GLN A 33 -3.508 -5.588 -5.546 1.00 0.00 O ATOM 512 NE2 GLN A 33 -4.390 -3.884 -6.674 1.00 0.00 N ATOM 0 H GLN A 33 -6.118 -4.891 -1.743 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.639 -5.226 -2.745 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -5.669 -2.992 -3.060 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -4.136 -2.898 -3.903 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -5.744 -5.426 -4.170 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -6.290 -3.999 -5.029 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -5.112 -3.166 -6.731 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -3.689 -3.962 -7.411 1.00 0.00 H new ATOM 521 N CYS A 34 -3.856 -2.574 -0.781 1.00 0.00 N ATOM 522 CA CYS A 34 -3.119 -1.546 -0.070 1.00 0.00 C ATOM 523 C CYS A 34 -2.334 -2.155 1.073 1.00 0.00 C ATOM 524 O CYS A 34 -1.118 -1.971 1.138 1.00 0.00 O ATOM 525 CB CYS A 34 -4.078 -0.451 0.390 1.00 0.00 C ATOM 526 SG CYS A 34 -3.981 0.918 -0.795 1.00 0.00 S ATOM 0 H CYS A 34 -4.857 -2.587 -0.585 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.391 -1.083 -0.737 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -5.096 -0.835 0.445 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -3.813 -0.108 1.390 1.00 0.00 H new ATOM 0 HG CYS A 34 -4.020 2.049 -0.155 1.00 0.00 H new ATOM 532 N VAL A 35 -3.026 -2.873 1.958 1.00 0.00 N ATOM 533 CA VAL A 35 -2.406 -3.415 3.154 1.00 0.00 C ATOM 534 C VAL A 35 -1.233 -4.325 2.794 1.00 0.00 C ATOM 535 O VAL A 35 -0.188 -4.260 3.435 1.00 0.00 O ATOM 536 CB VAL A 35 -3.472 -4.099 4.033 1.00 0.00 C ATOM 537 CG1 VAL A 35 -2.876 -4.570 5.362 1.00 0.00 C ATOM 538 CG2 VAL A 35 -4.639 -3.154 4.372 1.00 0.00 C ATOM 0 H VAL A 35 -4.018 -3.090 1.863 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.980 -2.606 3.748 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.836 -4.944 3.449 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.652 -5.048 5.960 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.075 -5.284 5.169 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.476 -3.714 5.905 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.365 -3.680 4.992 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -4.260 -2.287 4.913 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.120 -2.825 3.451 1.00 0.00 H new ATOM 548 N GLN A 36 -1.371 -5.130 1.749 1.00 0.00 N ATOM 549 CA GLN A 36 -0.357 -6.076 1.355 1.00 0.00 C ATOM 550 C GLN A 36 0.822 -5.384 0.668 1.00 0.00 C ATOM 551 O GLN A 36 1.976 -5.714 0.941 1.00 0.00 O ATOM 552 CB GLN A 36 -1.026 -7.164 0.511 1.00 0.00 C ATOM 553 CG GLN A 36 -1.375 -6.856 -0.948 1.00 0.00 C ATOM 554 CD GLN A 36 -0.375 -7.557 -1.860 1.00 0.00 C ATOM 555 OE1 GLN A 36 0.716 -6.884 -2.185 1.00 0.00 O flip ATOM 556 NE2 GLN A 36 -0.533 -8.747 -2.140 1.00 0.00 N flip ATOM 0 H GLN A 36 -2.198 -5.139 1.152 1.00 0.00 H new ATOM 0 HA GLN A 36 0.087 -6.554 2.228 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -0.371 -8.035 0.517 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -1.947 -7.454 1.016 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -2.387 -7.193 -1.171 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -1.351 -5.780 -1.121 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -1.392 -9.225 -1.869 1.00 0.00 H new ATOM 0 HE22 GLN A 36 0.195 -9.254 -2.643 1.00 0.00 H new ATOM 565 N LEU A 37 0.559 -4.441 -0.247 1.00 0.00 N ATOM 566 CA LEU A 37 1.622 -3.876 -1.070 1.00 0.00 C ATOM 567 C LEU A 37 2.461 -2.915 -0.236 1.00 0.00 C ATOM 568 O LEU A 37 3.654 -2.800 -0.492 1.00 0.00 O ATOM 569 CB LEU A 37 1.075 -3.242 -2.355 1.00 0.00 C ATOM 570 CG LEU A 37 2.154 -3.035 -3.445 1.00 0.00 C ATOM 571 CD1 LEU A 37 1.605 -3.253 -4.860 1.00 0.00 C ATOM 572 CD2 LEU A 37 2.750 -1.633 -3.403 1.00 0.00 C ATOM 0 H LEU A 37 -0.370 -4.061 -0.430 1.00 0.00 H new ATOM 0 HA LEU A 37 2.277 -4.680 -1.405 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.282 -3.874 -2.754 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.624 -2.280 -2.113 1.00 0.00 H new ATOM 0 HG LEU A 37 2.920 -3.778 -3.225 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.401 -3.096 -5.587 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.227 -4.271 -4.951 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.796 -2.547 -5.049 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.502 -1.534 -4.186 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.961 -0.898 -3.562 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.213 -1.463 -2.431 1.00 0.00 H new ATOM 584 N HIS A 38 1.875 -2.318 0.808 1.00 0.00 N ATOM 585 CA HIS A 38 2.587 -1.549 1.819 1.00 0.00 C ATOM 586 C HIS A 38 3.809 -2.338 2.313 1.00 0.00 C ATOM 587 O HIS A 38 4.929 -1.849 2.201 1.00 0.00 O ATOM 588 CB HIS A 38 1.611 -1.150 2.948 1.00 0.00 C ATOM 589 CG HIS A 38 2.270 -0.584 4.186 1.00 0.00 C ATOM 590 ND1 HIS A 38 2.785 0.675 4.340 1.00 0.00 N flip ATOM 591 CD2 HIS A 38 2.501 -1.266 5.362 1.00 0.00 C flip ATOM 592 CE1 HIS A 38 3.388 0.733 5.598 1.00 0.00 C flip ATOM 593 NE2 HIS A 38 3.202 -0.462 6.179 1.00 0.00 N flip ATOM 0 H HIS A 38 0.869 -2.361 0.972 1.00 0.00 H new ATOM 0 HA HIS A 38 2.972 -0.622 1.395 1.00 0.00 H new ATOM 0 HB2 HIS A 38 0.909 -0.413 2.558 1.00 0.00 H new ATOM 0 HB3 HIS A 38 1.029 -2.026 3.232 1.00 0.00 H new ATOM 0 HD1 HIS A 38 2.737 1.433 3.659 1.00 0.00 H new ATOM 0 HD2 HIS A 38 2.175 -2.271 5.587 1.00 0.00 H new ATOM 0 HE1 HIS A 38 3.906 1.580 6.023 1.00 0.00 H new ATOM 601 N ASN A 39 3.629 -3.575 2.804 1.00 0.00 N ATOM 602 CA ASN A 39 4.788 -4.351 3.263 1.00 0.00 C ATOM 603 C ASN A 39 5.709 -4.672 2.091 1.00 0.00 C ATOM 604 O ASN A 39 6.929 -4.649 2.247 1.00 0.00 O ATOM 605 CB ASN A 39 4.453 -5.677 3.958 1.00 0.00 C ATOM 606 CG ASN A 39 3.156 -5.646 4.728 1.00 0.00 C ATOM 607 OD1 ASN A 39 3.074 -5.110 5.833 1.00 0.00 O ATOM 608 ND2 ASN A 39 2.104 -6.160 4.127 1.00 0.00 N ATOM 0 H ASN A 39 2.727 -4.044 2.891 1.00 0.00 H new ATOM 0 HA ASN A 39 5.264 -3.707 4.003 1.00 0.00 H new ATOM 0 HB2 ASN A 39 4.402 -6.467 3.209 1.00 0.00 H new ATOM 0 HB3 ASN A 39 5.264 -5.935 4.639 1.00 0.00 H new ATOM 0 HD21 ASN A 39 1.190 -6.120 4.577 1.00 0.00 H new ATOM 0 HD22 ASN A 39 2.203 -6.598 3.211 1.00 0.00 H new ATOM 615 N ASP A 40 5.137 -4.998 0.924 1.00 0.00 N ATOM 616 CA ASP A 40 5.898 -5.426 -0.253 1.00 0.00 C ATOM 617 C ASP A 40 6.889 -4.348 -0.712 1.00 0.00 C ATOM 618 O ASP A 40 7.833 -4.705 -1.415 1.00 0.00 O ATOM 619 CB ASP A 40 5.005 -5.874 -1.433 1.00 0.00 C ATOM 620 CG ASP A 40 4.347 -7.258 -1.303 1.00 0.00 C ATOM 621 OD1 ASP A 40 4.776 -8.054 -0.427 1.00 0.00 O ATOM 622 OD2 ASP A 40 3.456 -7.594 -2.115 1.00 0.00 O ATOM 0 H ASP A 40 4.129 -4.971 0.771 1.00 0.00 H new ATOM 0 HA ASP A 40 6.459 -6.303 0.069 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.218 -5.132 -1.567 1.00 0.00 H new ATOM 0 HB3 ASP A 40 5.608 -5.866 -2.341 1.00 0.00 H new ATOM 627 N ILE A 41 6.728 -3.073 -0.320 1.00 0.00 N ATOM 628 CA ILE A 41 7.707 -1.999 -0.528 1.00 0.00 C ATOM 629 C ILE A 41 9.002 -2.378 0.189 1.00 0.00 C ATOM 630 O ILE A 41 10.051 -2.501 -0.437 1.00 0.00 O ATOM 631 CB ILE A 41 7.191 -0.643 0.026 1.00 0.00 C ATOM 632 CG1 ILE A 41 5.827 -0.193 -0.524 1.00 0.00 C ATOM 633 CG2 ILE A 41 8.214 0.489 -0.198 1.00 0.00 C ATOM 634 CD1 ILE A 41 5.557 -0.472 -1.990 1.00 0.00 C ATOM 0 H ILE A 41 5.888 -2.755 0.164 1.00 0.00 H new ATOM 0 HA ILE A 41 7.875 -1.881 -1.599 1.00 0.00 H new ATOM 0 HB ILE A 41 7.056 -0.833 1.091 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.047 -0.677 0.064 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.731 0.880 -0.359 1.00 0.00 H new ATOM 0 HG21 ILE A 41 7.818 1.422 0.203 1.00 0.00 H new ATOM 0 HG22 ILE A 41 9.146 0.243 0.310 1.00 0.00 H new ATOM 0 HG23 ILE A 41 8.402 0.603 -1.266 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.564 -0.107 -2.253 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.304 0.036 -2.601 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.609 -1.546 -2.172 1.00 0.00 H new ATOM 646 N LEU A 42 8.946 -2.519 1.514 1.00 0.00 N ATOM 647 CA LEU A 42 10.109 -2.771 2.358 1.00 0.00 C ATOM 648 C LEU A 42 10.693 -4.148 1.987 1.00 0.00 C ATOM 649 O LEU A 42 11.906 -4.369 1.954 1.00 0.00 O ATOM 650 CB LEU A 42 9.671 -2.766 3.837 1.00 0.00 C ATOM 651 CG LEU A 42 8.896 -1.517 4.314 1.00 0.00 C ATOM 652 CD1 LEU A 42 8.434 -1.704 5.764 1.00 0.00 C ATOM 653 CD2 LEU A 42 9.734 -0.242 4.182 1.00 0.00 C ATOM 0 H LEU A 42 8.073 -2.460 2.038 1.00 0.00 H new ATOM 0 HA LEU A 42 10.864 -1.999 2.208 1.00 0.00 H new ATOM 0 HB2 LEU A 42 9.049 -3.643 4.013 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.560 -2.876 4.458 1.00 0.00 H new ATOM 0 HG LEU A 42 8.023 -1.403 3.671 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.889 -0.818 6.089 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.782 -2.575 5.829 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.302 -1.852 6.406 1.00 0.00 H new ATOM 0 HD21 LEU A 42 9.153 0.613 4.528 1.00 0.00 H new ATOM 0 HD22 LEU A 42 10.636 -0.336 4.786 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.010 -0.095 3.138 1.00 0.00 H new ATOM 665 N LEU A 43 9.810 -5.093 1.654 1.00 0.00 N ATOM 666 CA LEU A 43 10.103 -6.477 1.295 1.00 0.00 C ATOM 667 C LEU A 43 10.493 -6.583 -0.183 1.00 0.00 C ATOM 668 O LEU A 43 10.570 -7.693 -0.712 1.00 0.00 O ATOM 669 CB LEU A 43 8.884 -7.356 1.644 1.00 0.00 C ATOM 670 CG LEU A 43 8.811 -7.832 3.109 1.00 0.00 C ATOM 671 CD1 LEU A 43 9.014 -6.740 4.168 1.00 0.00 C ATOM 672 CD2 LEU A 43 7.437 -8.461 3.358 1.00 0.00 C ATOM 0 H LEU A 43 8.809 -4.896 1.627 1.00 0.00 H new ATOM 0 HA LEU A 43 10.958 -6.836 1.867 1.00 0.00 H new ATOM 0 HB2 LEU A 43 7.977 -6.797 1.416 1.00 0.00 H new ATOM 0 HB3 LEU A 43 8.891 -8.232 0.995 1.00 0.00 H new ATOM 0 HG LEU A 43 9.637 -8.534 3.221 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.944 -7.180 5.163 1.00 0.00 H new ATOM 0 HD12 LEU A 43 9.997 -6.288 4.040 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.245 -5.976 4.054 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.375 -8.801 4.392 1.00 0.00 H new ATOM 0 HD22 LEU A 43 6.659 -7.721 3.172 1.00 0.00 H new ATOM 0 HD23 LEU A 43 7.298 -9.309 2.688 1.00 0.00 H new ATOM 684 N ALA A 44 10.712 -5.452 -0.863 1.00 0.00 N ATOM 685 CA ALA A 44 11.173 -5.432 -2.234 1.00 0.00 C ATOM 686 C ALA A 44 12.631 -5.892 -2.334 1.00 0.00 C ATOM 687 O ALA A 44 13.264 -6.293 -1.352 1.00 0.00 O ATOM 688 CB ALA A 44 10.978 -4.045 -2.847 1.00 0.00 C ATOM 0 H ALA A 44 10.570 -4.524 -0.464 1.00 0.00 H new ATOM 0 HA ALA A 44 10.572 -6.138 -2.807 1.00 0.00 H new ATOM 0 HB1 ALA A 44 11.331 -4.050 -3.878 1.00 0.00 H new ATOM 0 HB2 ALA A 44 9.920 -3.784 -2.827 1.00 0.00 H new ATOM 0 HB3 ALA A 44 11.544 -3.311 -2.274 1.00 0.00 H new ATOM 694 N LYS A 45 13.159 -5.867 -3.557 1.00 0.00 N ATOM 695 CA LYS A 45 14.519 -6.286 -3.855 1.00 0.00 C ATOM 696 C LYS A 45 15.488 -5.130 -3.671 1.00 0.00 C ATOM 697 O LYS A 45 16.510 -5.306 -3.009 1.00 0.00 O ATOM 698 CB LYS A 45 14.576 -6.826 -5.290 1.00 0.00 C ATOM 699 CG LYS A 45 13.800 -8.146 -5.441 1.00 0.00 C ATOM 700 CD LYS A 45 14.577 -9.371 -4.966 1.00 0.00 C ATOM 701 CE LYS A 45 15.648 -9.714 -6.006 1.00 0.00 C ATOM 702 NZ LYS A 45 16.676 -10.641 -5.500 1.00 0.00 N ATOM 0 H LYS A 45 12.643 -5.550 -4.377 1.00 0.00 H new ATOM 0 HA LYS A 45 14.814 -7.076 -3.164 1.00 0.00 H new ATOM 0 HB2 LYS A 45 14.164 -6.083 -5.973 1.00 0.00 H new ATOM 0 HB3 LYS A 45 15.616 -6.982 -5.578 1.00 0.00 H new ATOM 0 HG2 LYS A 45 12.869 -8.076 -4.879 1.00 0.00 H new ATOM 0 HG3 LYS A 45 13.530 -8.281 -6.488 1.00 0.00 H new ATOM 0 HD2 LYS A 45 15.040 -9.172 -4.000 1.00 0.00 H new ATOM 0 HD3 LYS A 45 13.902 -10.215 -4.828 1.00 0.00 H new ATOM 0 HE2 LYS A 45 15.168 -10.156 -6.879 1.00 0.00 H new ATOM 0 HE3 LYS A 45 16.130 -8.794 -6.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 17.370 -10.833 -6.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 17.158 -10.213 -4.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 16.226 -11.532 -5.208 1.00 0.00 H new ATOM 716 N ASP A 46 15.225 -3.987 -4.297 1.00 0.00 N ATOM 717 CA ASP A 46 16.148 -2.856 -4.366 1.00 0.00 C ATOM 718 C ASP A 46 15.334 -1.578 -4.228 1.00 0.00 C ATOM 719 O ASP A 46 14.106 -1.620 -4.259 1.00 0.00 O ATOM 720 CB ASP A 46 16.943 -2.808 -5.686 1.00 0.00 C ATOM 721 CG ASP A 46 17.389 -4.182 -6.213 1.00 0.00 C ATOM 722 OD1 ASP A 46 18.446 -4.700 -5.774 1.00 0.00 O ATOM 723 OD2 ASP A 46 16.643 -4.805 -6.997 1.00 0.00 O ATOM 0 H ASP A 46 14.344 -3.816 -4.782 1.00 0.00 H new ATOM 0 HA ASP A 46 16.876 -2.965 -3.562 1.00 0.00 H new ATOM 0 HB2 ASP A 46 16.331 -2.323 -6.446 1.00 0.00 H new ATOM 0 HB3 ASP A 46 17.825 -2.185 -5.541 1.00 0.00 H new ATOM 728 N THR A 47 15.999 -0.432 -4.127 1.00 0.00 N ATOM 729 CA THR A 47 15.365 0.857 -3.922 1.00 0.00 C ATOM 730 C THR A 47 14.407 1.193 -5.063 1.00 0.00 C ATOM 731 O THR A 47 13.283 1.626 -4.789 1.00 0.00 O ATOM 732 CB THR A 47 16.445 1.937 -3.831 1.00 0.00 C ATOM 733 OG1 THR A 47 17.292 1.738 -2.712 1.00 0.00 O ATOM 734 CG2 THR A 47 15.788 3.306 -3.712 1.00 0.00 C ATOM 0 H THR A 47 17.016 -0.377 -4.187 1.00 0.00 H new ATOM 0 HA THR A 47 14.790 0.815 -2.997 1.00 0.00 H new ATOM 0 HB THR A 47 17.049 1.878 -4.736 1.00 0.00 H new ATOM 0 HG1 THR A 47 17.971 2.444 -2.686 1.00 0.00 H new ATOM 0 HG21 THR A 47 16.558 4.075 -3.647 1.00 0.00 H new ATOM 0 HG22 THR A 47 15.166 3.488 -4.588 1.00 0.00 H new ATOM 0 HG23 THR A 47 15.169 3.336 -2.815 1.00 0.00 H new ATOM 742 N THR A 48 14.863 1.084 -6.319 1.00 0.00 N ATOM 743 CA THR A 48 14.025 1.456 -7.447 1.00 0.00 C ATOM 744 C THR A 48 12.795 0.554 -7.400 1.00 0.00 C ATOM 745 O THR A 48 11.680 1.055 -7.369 1.00 0.00 O ATOM 746 CB THR A 48 14.821 1.446 -8.771 1.00 0.00 C ATOM 747 OG1 THR A 48 14.104 2.085 -9.811 1.00 0.00 O ATOM 748 CG2 THR A 48 15.235 0.061 -9.270 1.00 0.00 C ATOM 0 H THR A 48 15.793 0.746 -6.568 1.00 0.00 H new ATOM 0 HA THR A 48 13.680 2.488 -7.386 1.00 0.00 H new ATOM 0 HB THR A 48 15.733 1.990 -8.523 1.00 0.00 H new ATOM 0 HG1 THR A 48 14.634 2.064 -10.635 1.00 0.00 H new ATOM 0 HG21 THR A 48 15.788 0.161 -10.204 1.00 0.00 H new ATOM 0 HG22 THR A 48 15.867 -0.421 -8.524 1.00 0.00 H new ATOM 0 HG23 THR A 48 14.345 -0.546 -9.438 1.00 0.00 H new ATOM 756 N GLU A 49 13.000 -0.757 -7.267 1.00 0.00 N ATOM 757 CA GLU A 49 11.923 -1.742 -7.273 1.00 0.00 C ATOM 758 C GLU A 49 10.939 -1.465 -6.135 1.00 0.00 C ATOM 759 O GLU A 49 9.728 -1.585 -6.307 1.00 0.00 O ATOM 760 CB GLU A 49 12.542 -3.146 -7.155 1.00 0.00 C ATOM 761 CG GLU A 49 11.531 -4.303 -7.147 1.00 0.00 C ATOM 762 CD GLU A 49 10.867 -4.546 -8.505 1.00 0.00 C ATOM 763 OE1 GLU A 49 10.251 -3.602 -9.058 1.00 0.00 O ATOM 764 OE2 GLU A 49 10.944 -5.693 -8.989 1.00 0.00 O ATOM 0 H GLU A 49 13.927 -1.166 -7.151 1.00 0.00 H new ATOM 0 HA GLU A 49 11.361 -1.678 -8.205 1.00 0.00 H new ATOM 0 HB2 GLU A 49 13.233 -3.293 -7.985 1.00 0.00 H new ATOM 0 HB3 GLU A 49 13.130 -3.191 -6.239 1.00 0.00 H new ATOM 0 HG2 GLU A 49 12.038 -5.215 -6.831 1.00 0.00 H new ATOM 0 HG3 GLU A 49 10.759 -4.095 -6.406 1.00 0.00 H new ATOM 771 N ALA A 50 11.448 -1.051 -4.973 1.00 0.00 N ATOM 772 CA ALA A 50 10.647 -0.769 -3.803 1.00 0.00 C ATOM 773 C ALA A 50 9.596 0.290 -4.081 1.00 0.00 C ATOM 774 O ALA A 50 8.475 0.140 -3.609 1.00 0.00 O ATOM 775 CB ALA A 50 11.542 -0.341 -2.643 1.00 0.00 C ATOM 0 H ALA A 50 12.447 -0.903 -4.827 1.00 0.00 H new ATOM 0 HA ALA A 50 10.123 -1.685 -3.531 1.00 0.00 H new ATOM 0 HB1 ALA A 50 10.927 -0.131 -1.767 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.244 -1.142 -2.410 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.095 0.556 -2.922 1.00 0.00 H new ATOM 781 N PHE A 51 9.931 1.370 -4.788 1.00 0.00 N ATOM 782 CA PHE A 51 8.960 2.434 -5.020 1.00 0.00 C ATOM 783 C PHE A 51 8.310 2.308 -6.396 1.00 0.00 C ATOM 784 O PHE A 51 7.177 2.753 -6.553 1.00 0.00 O ATOM 785 CB PHE A 51 9.549 3.819 -4.736 1.00 0.00 C ATOM 786 CG PHE A 51 10.098 4.555 -5.933 1.00 0.00 C ATOM 787 CD1 PHE A 51 11.229 4.084 -6.620 1.00 0.00 C ATOM 788 CD2 PHE A 51 9.453 5.725 -6.363 1.00 0.00 C ATOM 789 CE1 PHE A 51 11.657 4.737 -7.786 1.00 0.00 C ATOM 790 CE2 PHE A 51 9.941 6.432 -7.468 1.00 0.00 C ATOM 791 CZ PHE A 51 11.025 5.923 -8.205 1.00 0.00 C ATOM 0 H PHE A 51 10.850 1.528 -5.202 1.00 0.00 H new ATOM 0 HA PHE A 51 8.151 2.314 -4.299 1.00 0.00 H new ATOM 0 HB2 PHE A 51 8.776 4.435 -4.277 1.00 0.00 H new ATOM 0 HB3 PHE A 51 10.347 3.710 -4.002 1.00 0.00 H new ATOM 0 HD1 PHE A 51 11.767 3.223 -6.252 1.00 0.00 H new ATOM 0 HD2 PHE A 51 8.578 6.081 -5.840 1.00 0.00 H new ATOM 0 HE1 PHE A 51 12.473 4.329 -8.363 1.00 0.00 H new ATOM 0 HE2 PHE A 51 9.485 7.368 -7.755 1.00 0.00 H new ATOM 0 HZ PHE A 51 11.371 6.439 -9.088 1.00 0.00 H new ATOM 801 N GLU A 52 8.938 1.606 -7.343 1.00 0.00 N ATOM 802 CA GLU A 52 8.326 1.206 -8.605 1.00 0.00 C ATOM 803 C GLU A 52 6.960 0.590 -8.307 1.00 0.00 C ATOM 804 O GLU A 52 5.950 1.039 -8.852 1.00 0.00 O ATOM 805 CB GLU A 52 9.228 0.221 -9.370 1.00 0.00 C ATOM 806 CG GLU A 52 10.424 0.905 -10.060 1.00 0.00 C ATOM 807 CD GLU A 52 10.235 1.025 -11.577 1.00 0.00 C ATOM 808 OE1 GLU A 52 9.159 1.454 -12.009 1.00 0.00 O ATOM 809 OE2 GLU A 52 11.209 0.663 -12.293 1.00 0.00 O ATOM 0 H GLU A 52 9.905 1.296 -7.248 1.00 0.00 H new ATOM 0 HA GLU A 52 8.199 2.079 -9.245 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.599 -0.534 -8.678 1.00 0.00 H new ATOM 0 HB3 GLU A 52 8.633 -0.299 -10.120 1.00 0.00 H new ATOM 0 HG2 GLU A 52 10.565 1.899 -9.635 1.00 0.00 H new ATOM 0 HG3 GLU A 52 11.332 0.338 -9.854 1.00 0.00 H new ATOM 816 N LYS A 53 6.895 -0.364 -7.366 1.00 0.00 N ATOM 817 CA LYS A 53 5.628 -0.999 -7.035 1.00 0.00 C ATOM 818 C LYS A 53 4.658 -0.070 -6.301 1.00 0.00 C ATOM 819 O LYS A 53 3.459 -0.209 -6.532 1.00 0.00 O ATOM 820 CB LYS A 53 5.851 -2.335 -6.312 1.00 0.00 C ATOM 821 CG LYS A 53 6.622 -2.202 -5.002 1.00 0.00 C ATOM 822 CD LYS A 53 6.634 -3.517 -4.225 1.00 0.00 C ATOM 823 CE LYS A 53 7.588 -4.541 -4.853 1.00 0.00 C ATOM 824 NZ LYS A 53 7.708 -5.771 -4.038 1.00 0.00 N ATOM 0 H LYS A 53 7.696 -0.703 -6.833 1.00 0.00 H new ATOM 0 HA LYS A 53 5.130 -1.225 -7.978 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.883 -2.794 -6.109 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.392 -3.011 -6.975 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.646 -1.892 -5.211 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.171 -1.421 -4.390 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.932 -3.327 -3.194 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.626 -3.930 -4.194 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.233 -4.802 -5.850 1.00 0.00 H new ATOM 0 HE3 LYS A 53 8.573 -4.090 -4.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 8.573 -6.283 -4.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.755 -5.517 -3.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 6.881 -6.379 -4.203 1.00 0.00 H new ATOM 838 N MET A 54 5.105 0.874 -5.454 1.00 0.00 N ATOM 839 CA MET A 54 4.161 1.797 -4.808 1.00 0.00 C ATOM 840 C MET A 54 3.527 2.715 -5.845 1.00 0.00 C ATOM 841 O MET A 54 2.322 2.962 -5.796 1.00 0.00 O ATOM 842 CB MET A 54 4.752 2.596 -3.628 1.00 0.00 C ATOM 843 CG MET A 54 5.551 3.868 -3.930 1.00 0.00 C ATOM 844 SD MET A 54 6.121 4.766 -2.461 1.00 0.00 S ATOM 845 CE MET A 54 7.270 3.574 -1.724 1.00 0.00 C ATOM 0 H MET A 54 6.085 1.015 -5.207 1.00 0.00 H new ATOM 0 HA MET A 54 3.389 1.173 -4.358 1.00 0.00 H new ATOM 0 HB2 MET A 54 3.928 2.871 -2.969 1.00 0.00 H new ATOM 0 HB3 MET A 54 5.400 1.924 -3.065 1.00 0.00 H new ATOM 0 HG2 MET A 54 6.417 3.602 -4.536 1.00 0.00 H new ATOM 0 HG3 MET A 54 4.934 4.535 -4.531 1.00 0.00 H new ATOM 0 HE1 MET A 54 7.531 3.896 -0.716 1.00 0.00 H new ATOM 0 HE2 MET A 54 6.798 2.592 -1.681 1.00 0.00 H new ATOM 0 HE3 MET A 54 8.173 3.516 -2.331 1.00 0.00 H new ATOM 855 N VAL A 55 4.311 3.188 -6.811 1.00 0.00 N ATOM 856 CA VAL A 55 3.818 4.048 -7.869 1.00 0.00 C ATOM 857 C VAL A 55 2.942 3.226 -8.837 1.00 0.00 C ATOM 858 O VAL A 55 2.032 3.772 -9.468 1.00 0.00 O ATOM 859 CB VAL A 55 5.016 4.801 -8.493 1.00 0.00 C ATOM 860 CG1 VAL A 55 4.553 5.762 -9.596 1.00 0.00 C ATOM 861 CG2 VAL A 55 5.761 5.635 -7.420 1.00 0.00 C ATOM 0 H VAL A 55 5.308 2.982 -6.877 1.00 0.00 H new ATOM 0 HA VAL A 55 3.151 4.828 -7.502 1.00 0.00 H new ATOM 0 HB VAL A 55 5.680 4.046 -8.913 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.417 6.277 -10.016 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.049 5.199 -10.381 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.864 6.494 -9.175 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.600 6.156 -7.882 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.076 6.363 -6.985 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.132 4.973 -6.637 1.00 0.00 H new ATOM 871 N SER A 56 3.102 1.900 -8.896 1.00 0.00 N ATOM 872 CA SER A 56 2.168 1.022 -9.594 1.00 0.00 C ATOM 873 C SER A 56 0.927 0.672 -8.760 1.00 0.00 C ATOM 874 O SER A 56 -0.034 0.166 -9.334 1.00 0.00 O ATOM 875 CB SER A 56 2.894 -0.224 -10.090 1.00 0.00 C ATOM 876 OG SER A 56 3.827 0.158 -11.085 1.00 0.00 O ATOM 0 H SER A 56 3.883 1.409 -8.461 1.00 0.00 H new ATOM 0 HA SER A 56 1.787 1.571 -10.455 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.405 -0.718 -9.263 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.180 -0.940 -10.497 1.00 0.00 H new ATOM 0 HG SER A 56 4.635 0.511 -10.657 1.00 0.00 H new ATOM 882 N LEU A 57 0.859 1.027 -7.472 1.00 0.00 N ATOM 883 CA LEU A 57 -0.331 0.852 -6.648 1.00 0.00 C ATOM 884 C LEU A 57 -1.257 2.070 -6.738 1.00 0.00 C ATOM 885 O LEU A 57 -2.427 1.902 -7.067 1.00 0.00 O ATOM 886 CB LEU A 57 0.092 0.502 -5.209 1.00 0.00 C ATOM 887 CG LEU A 57 -1.039 0.677 -4.178 1.00 0.00 C ATOM 888 CD1 LEU A 57 -1.222 -0.523 -3.253 1.00 0.00 C ATOM 889 CD2 LEU A 57 -0.790 1.913 -3.308 1.00 0.00 C ATOM 0 H LEU A 57 1.641 1.449 -6.971 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.922 0.017 -7.025 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.441 -0.530 -5.182 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.935 1.131 -4.923 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.948 0.786 -4.769 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.036 -0.324 -2.556 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.459 -1.406 -3.846 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.301 -0.697 -2.696 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.600 2.019 -2.586 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.156 1.800 -2.778 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.748 2.800 -3.940 1.00 0.00 H new ATOM 901 N LEU A 58 -0.767 3.269 -6.416 1.00 0.00 N ATOM 902 CA LEU A 58 -1.570 4.466 -6.103 1.00 0.00 C ATOM 903 C LEU A 58 -2.742 4.696 -7.074 1.00 0.00 C ATOM 904 O LEU A 58 -3.879 4.885 -6.648 1.00 0.00 O ATOM 905 CB LEU A 58 -0.646 5.698 -5.936 1.00 0.00 C ATOM 906 CG LEU A 58 0.587 5.827 -6.863 1.00 0.00 C ATOM 907 CD1 LEU A 58 0.261 6.180 -8.311 1.00 0.00 C ATOM 908 CD2 LEU A 58 1.583 6.842 -6.299 1.00 0.00 C ATOM 0 H LEU A 58 0.236 3.446 -6.362 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.064 4.293 -5.147 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.257 6.591 -6.070 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.289 5.708 -4.906 1.00 0.00 H new ATOM 0 HG LEU A 58 1.028 4.830 -6.886 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.185 6.249 -8.885 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.376 5.406 -8.740 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.259 7.137 -8.344 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.442 6.918 -6.965 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.102 7.816 -6.216 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.916 6.516 -5.314 1.00 0.00 H new ATOM 920 N SER A 59 -2.485 4.620 -8.375 1.00 0.00 N ATOM 921 CA SER A 59 -3.358 4.977 -9.480 1.00 0.00 C ATOM 922 C SER A 59 -4.494 3.956 -9.588 1.00 0.00 C ATOM 923 O SER A 59 -5.593 4.340 -9.984 1.00 0.00 O ATOM 924 CB SER A 59 -2.518 5.017 -10.778 1.00 0.00 C ATOM 925 OG SER A 59 -2.689 6.191 -11.548 1.00 0.00 O ATOM 0 H SER A 59 -1.584 4.278 -8.708 1.00 0.00 H new ATOM 0 HA SER A 59 -3.803 5.958 -9.315 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.464 4.918 -10.518 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.777 4.154 -11.391 1.00 0.00 H new ATOM 0 HG SER A 59 -2.126 6.142 -12.349 1.00 0.00 H new ATOM 931 N VAL A 60 -4.273 2.696 -9.180 1.00 0.00 N ATOM 932 CA VAL A 60 -5.307 1.669 -9.167 1.00 0.00 C ATOM 933 C VAL A 60 -6.464 2.167 -8.311 1.00 0.00 C ATOM 934 O VAL A 60 -7.630 2.134 -8.725 1.00 0.00 O ATOM 935 CB VAL A 60 -4.795 0.331 -8.585 1.00 0.00 C ATOM 936 CG1 VAL A 60 -5.880 -0.761 -8.651 1.00 0.00 C ATOM 937 CG2 VAL A 60 -3.553 -0.226 -9.266 1.00 0.00 C ATOM 0 H VAL A 60 -3.365 2.368 -8.850 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.618 1.485 -10.195 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.535 0.580 -7.556 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.488 -1.689 -8.234 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -6.750 -0.444 -8.077 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.170 -0.924 -9.689 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.268 -1.165 -8.791 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.764 -0.402 -10.321 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.736 0.490 -9.175 1.00 0.00 H new ATOM 947 N LEU A 61 -6.126 2.589 -7.089 1.00 0.00 N ATOM 948 CA LEU A 61 -7.122 2.929 -6.100 1.00 0.00 C ATOM 949 C LEU A 61 -7.697 4.290 -6.433 1.00 0.00 C ATOM 950 O LEU A 61 -8.907 4.460 -6.328 1.00 0.00 O ATOM 951 CB LEU A 61 -6.573 2.931 -4.669 1.00 0.00 C ATOM 952 CG LEU A 61 -5.908 1.655 -4.123 1.00 0.00 C ATOM 953 CD1 LEU A 61 -6.412 0.355 -4.757 1.00 0.00 C ATOM 954 CD2 LEU A 61 -4.397 1.686 -4.273 1.00 0.00 C ATOM 0 H LEU A 61 -5.163 2.700 -6.772 1.00 0.00 H new ATOM 0 HA LEU A 61 -7.895 2.161 -6.133 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.844 3.738 -4.597 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -7.396 3.185 -4.001 1.00 0.00 H new ATOM 0 HG LEU A 61 -6.192 1.654 -3.071 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -5.890 -0.493 -4.313 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -7.483 0.255 -4.579 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.223 0.376 -5.830 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.973 0.765 -3.874 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.138 1.778 -5.328 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.994 2.538 -3.725 1.00 0.00 H new ATOM 966 N LEU A 62 -6.881 5.249 -6.882 1.00 0.00 N ATOM 967 CA LEU A 62 -7.406 6.561 -7.220 1.00 0.00 C ATOM 968 C LEU A 62 -8.432 6.428 -8.325 1.00 0.00 C ATOM 969 O LEU A 62 -9.511 7.003 -8.196 1.00 0.00 O ATOM 970 CB LEU A 62 -6.302 7.549 -7.618 1.00 0.00 C ATOM 971 CG LEU A 62 -5.229 7.839 -6.549 1.00 0.00 C ATOM 972 CD1 LEU A 62 -4.670 9.263 -6.626 1.00 0.00 C ATOM 973 CD2 LEU A 62 -5.701 7.559 -5.122 1.00 0.00 C ATOM 0 H LEU A 62 -5.876 5.139 -7.015 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.881 6.970 -6.328 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.804 7.165 -8.508 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.771 8.492 -7.897 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.428 7.139 -6.787 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.920 9.402 -5.847 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.213 9.422 -7.603 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.479 9.980 -6.483 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -4.897 7.785 -4.422 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.565 8.184 -4.895 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -5.978 6.509 -5.030 1.00 0.00 H new ATOM 985 N SER A 63 -8.168 5.586 -9.326 1.00 0.00 N ATOM 986 CA SER A 63 -9.071 5.416 -10.443 1.00 0.00 C ATOM 987 C SER A 63 -10.301 4.586 -10.056 1.00 0.00 C ATOM 988 O SER A 63 -11.113 4.273 -10.927 1.00 0.00 O ATOM 989 CB SER A 63 -8.291 4.849 -11.636 1.00 0.00 C ATOM 990 OG SER A 63 -8.922 5.144 -12.867 1.00 0.00 O ATOM 0 H SER A 63 -7.327 5.011 -9.376 1.00 0.00 H new ATOM 0 HA SER A 63 -9.474 6.383 -10.744 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.281 5.260 -11.638 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.195 3.769 -11.527 1.00 0.00 H new ATOM 0 HG SER A 63 -9.882 4.964 -12.794 1.00 0.00 H new ATOM 996 N MET A 64 -10.494 4.233 -8.780 1.00 0.00 N ATOM 997 CA MET A 64 -11.742 3.660 -8.289 1.00 0.00 C ATOM 998 C MET A 64 -12.367 4.479 -7.153 1.00 0.00 C ATOM 999 O MET A 64 -13.468 4.125 -6.717 1.00 0.00 O ATOM 1000 CB MET A 64 -11.527 2.177 -7.928 1.00 0.00 C ATOM 1001 CG MET A 64 -10.982 1.915 -6.520 1.00 0.00 C ATOM 1002 SD MET A 64 -12.246 1.474 -5.295 1.00 0.00 S ATOM 1003 CE MET A 64 -11.281 1.677 -3.776 1.00 0.00 C ATOM 0 H MET A 64 -9.781 4.340 -8.058 1.00 0.00 H new ATOM 0 HA MET A 64 -12.480 3.704 -9.090 1.00 0.00 H new ATOM 0 HB2 MET A 64 -12.477 1.653 -8.035 1.00 0.00 H new ATOM 0 HB3 MET A 64 -10.839 1.740 -8.652 1.00 0.00 H new ATOM 0 HG2 MET A 64 -10.248 1.111 -6.572 1.00 0.00 H new ATOM 0 HG3 MET A 64 -10.456 2.805 -6.176 1.00 0.00 H new ATOM 0 HE1 MET A 64 -11.347 0.768 -3.179 1.00 0.00 H new ATOM 0 HE2 MET A 64 -10.239 1.869 -4.030 1.00 0.00 H new ATOM 0 HE3 MET A 64 -11.675 2.517 -3.204 1.00 0.00 H new ATOM 1013 N GLN A 65 -11.699 5.531 -6.649 1.00 0.00 N ATOM 1014 CA GLN A 65 -12.071 6.129 -5.367 1.00 0.00 C ATOM 1015 C GLN A 65 -11.842 7.642 -5.255 1.00 0.00 C ATOM 1016 O GLN A 65 -12.625 8.291 -4.567 1.00 0.00 O ATOM 1017 CB GLN A 65 -11.371 5.347 -4.234 1.00 0.00 C ATOM 1018 CG GLN A 65 -10.023 5.926 -3.756 1.00 0.00 C ATOM 1019 CD GLN A 65 -9.237 5.013 -2.822 1.00 0.00 C ATOM 1020 OE1 GLN A 65 -8.017 5.013 -2.837 1.00 0.00 O ATOM 1021 NE2 GLN A 65 -9.882 4.244 -1.960 1.00 0.00 N ATOM 0 H GLN A 65 -10.906 5.978 -7.110 1.00 0.00 H new ATOM 0 HA GLN A 65 -13.154 6.039 -5.279 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -12.047 5.297 -3.381 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -11.207 4.324 -4.571 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -9.408 6.148 -4.628 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -10.209 6.872 -3.247 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -10.902 4.240 -1.944 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -9.359 3.655 -1.312 1.00 0.00 H new ATOM 1030 N GLY A 66 -10.807 8.216 -5.880 1.00 0.00 N ATOM 1031 CA GLY A 66 -10.507 9.640 -5.722 1.00 0.00 C ATOM 1032 C GLY A 66 -9.869 10.013 -4.371 1.00 0.00 C ATOM 1033 O GLY A 66 -10.126 11.103 -3.859 1.00 0.00 O ATOM 0 H GLY A 66 -10.167 7.717 -6.497 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.836 9.948 -6.524 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -11.429 10.208 -5.843 1.00 0.00 H new ATOM 1037 N ALA A 67 -9.060 9.125 -3.771 1.00 0.00 N ATOM 1038 CA ALA A 67 -8.444 9.336 -2.456 1.00 0.00 C ATOM 1039 C ALA A 67 -7.485 10.521 -2.444 1.00 0.00 C ATOM 1040 O ALA A 67 -6.747 10.754 -3.409 1.00 0.00 O ATOM 1041 CB ALA A 67 -7.658 8.093 -2.006 1.00 0.00 C ATOM 0 H ALA A 67 -8.814 8.230 -4.193 1.00 0.00 H new ATOM 0 HA ALA A 67 -9.270 9.536 -1.773 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.213 8.278 -1.029 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -8.333 7.239 -1.941 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.871 7.879 -2.729 1.00 0.00 H new ATOM 1047 N VAL A 68 -7.427 11.208 -1.305 1.00 0.00 N ATOM 1048 CA VAL A 68 -6.497 12.299 -1.066 1.00 0.00 C ATOM 1049 C VAL A 68 -5.153 11.743 -0.574 1.00 0.00 C ATOM 1050 O VAL A 68 -4.120 11.944 -1.212 1.00 0.00 O ATOM 1051 CB VAL A 68 -7.148 13.360 -0.148 1.00 0.00 C ATOM 1052 CG1 VAL A 68 -8.485 13.820 -0.765 1.00 0.00 C ATOM 1053 CG2 VAL A 68 -7.355 12.963 1.311 1.00 0.00 C ATOM 0 H VAL A 68 -8.038 11.015 -0.511 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.268 12.826 -1.992 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.421 14.171 -0.101 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.945 14.568 -0.119 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.302 14.253 -1.749 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -9.154 12.965 -0.864 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.818 13.789 1.851 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.003 12.088 1.362 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.392 12.728 1.764 1.00 0.00 H new ATOM 1063 N ASP A 69 -5.163 10.956 0.502 1.00 0.00 N ATOM 1064 CA ASP A 69 -4.019 10.688 1.376 1.00 0.00 C ATOM 1065 C ASP A 69 -3.108 9.586 0.832 1.00 0.00 C ATOM 1066 O ASP A 69 -2.323 8.988 1.566 1.00 0.00 O ATOM 1067 CB ASP A 69 -4.519 10.383 2.801 1.00 0.00 C ATOM 1068 CG ASP A 69 -4.999 11.624 3.547 1.00 0.00 C ATOM 1069 OD1 ASP A 69 -4.205 12.579 3.700 1.00 0.00 O ATOM 1070 OD2 ASP A 69 -6.166 11.646 3.997 1.00 0.00 O ATOM 0 H ASP A 69 -6.006 10.466 0.802 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.398 11.583 1.409 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -5.334 9.662 2.747 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -3.715 9.914 3.369 1.00 0.00 H new ATOM 1075 N ILE A 70 -3.163 9.316 -0.473 1.00 0.00 N ATOM 1076 CA ILE A 70 -2.541 8.140 -1.084 1.00 0.00 C ATOM 1077 C ILE A 70 -1.017 8.172 -1.002 1.00 0.00 C ATOM 1078 O ILE A 70 -0.353 7.162 -1.233 1.00 0.00 O ATOM 1079 CB ILE A 70 -3.062 7.984 -2.527 1.00 0.00 C ATOM 1080 CG1 ILE A 70 -2.916 6.572 -3.134 1.00 0.00 C ATOM 1081 CG2 ILE A 70 -2.420 8.962 -3.521 1.00 0.00 C ATOM 1082 CD1 ILE A 70 -3.857 5.552 -2.503 1.00 0.00 C ATOM 0 H ILE A 70 -3.646 9.914 -1.143 1.00 0.00 H new ATOM 0 HA ILE A 70 -2.829 7.256 -0.516 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.122 8.204 -2.396 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -3.109 6.622 -4.206 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -1.887 6.234 -3.010 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.834 8.795 -4.515 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.627 9.986 -3.209 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.342 8.801 -3.545 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -3.707 4.580 -2.972 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.649 5.476 -1.436 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -4.889 5.870 -2.650 1.00 0.00 H new ATOM 1094 N ASN A 71 -0.475 9.346 -0.698 1.00 0.00 N ATOM 1095 CA ASN A 71 0.941 9.630 -0.599 1.00 0.00 C ATOM 1096 C ASN A 71 1.443 9.499 0.832 1.00 0.00 C ATOM 1097 O ASN A 71 2.654 9.483 1.038 1.00 0.00 O ATOM 1098 CB ASN A 71 1.181 11.061 -1.096 1.00 0.00 C ATOM 1099 CG ASN A 71 1.029 11.207 -2.605 1.00 0.00 C ATOM 1100 OD1 ASN A 71 2.000 11.152 -3.353 1.00 0.00 O ATOM 1101 ND2 ASN A 71 -0.198 11.375 -3.076 1.00 0.00 N ATOM 0 H ASN A 71 -1.049 10.167 -0.504 1.00 0.00 H new ATOM 0 HA ASN A 71 1.487 8.908 -1.207 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.480 11.733 -0.600 1.00 0.00 H new ATOM 0 HB3 ASN A 71 2.184 11.376 -0.806 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -0.351 11.462 -4.081 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -0.989 11.418 -2.434 1.00 0.00 H new ATOM 1108 N ARG A 72 0.548 9.423 1.824 1.00 0.00 N ATOM 1109 CA ARG A 72 0.967 9.563 3.219 1.00 0.00 C ATOM 1110 C ARG A 72 1.751 8.338 3.662 1.00 0.00 C ATOM 1111 O ARG A 72 2.864 8.479 4.156 1.00 0.00 O ATOM 1112 CB ARG A 72 -0.231 9.871 4.136 1.00 0.00 C ATOM 1113 CG ARG A 72 -0.426 11.377 4.332 1.00 0.00 C ATOM 1114 CD ARG A 72 -0.895 12.106 3.070 1.00 0.00 C ATOM 1115 NE ARG A 72 -0.575 13.539 3.128 1.00 0.00 N ATOM 1116 CZ ARG A 72 -1.112 14.439 3.957 1.00 0.00 C ATOM 1117 NH1 ARG A 72 -2.185 14.137 4.673 1.00 0.00 N ATOM 1118 NH2 ARG A 72 -0.550 15.636 4.065 1.00 0.00 N ATOM 0 H ARG A 72 -0.451 9.268 1.689 1.00 0.00 H new ATOM 0 HA ARG A 72 1.637 10.419 3.300 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -1.136 9.440 3.708 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -0.079 9.395 5.105 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -1.154 11.540 5.127 1.00 0.00 H new ATOM 0 HG3 ARG A 72 0.514 11.816 4.666 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -0.422 11.661 2.194 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -1.971 11.976 2.952 1.00 0.00 H new ATOM 0 HE ARG A 72 0.126 13.880 2.471 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -2.607 13.212 4.594 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -2.589 14.830 5.304 1.00 0.00 H new ATOM 0 HH21 ARG A 72 0.282 15.860 3.519 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -0.950 16.332 4.694 1.00 0.00 H new ATOM 1132 N LEU A 73 1.196 7.147 3.424 1.00 0.00 N ATOM 1133 CA LEU A 73 1.915 5.896 3.659 1.00 0.00 C ATOM 1134 C LEU A 73 3.162 5.819 2.779 1.00 0.00 C ATOM 1135 O LEU A 73 4.163 5.268 3.214 1.00 0.00 O ATOM 1136 CB LEU A 73 1.034 4.648 3.449 1.00 0.00 C ATOM 1137 CG LEU A 73 0.421 4.538 2.034 1.00 0.00 C ATOM 1138 CD1 LEU A 73 0.420 3.099 1.504 1.00 0.00 C ATOM 1139 CD2 LEU A 73 -0.990 5.135 2.017 1.00 0.00 C ATOM 0 H LEU A 73 0.248 7.024 3.068 1.00 0.00 H new ATOM 0 HA LEU A 73 2.212 5.901 4.708 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.632 3.758 3.644 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.228 4.658 4.183 1.00 0.00 H new ATOM 0 HG LEU A 73 1.055 5.114 1.360 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.021 3.079 0.507 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.444 2.728 1.455 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.164 2.466 2.172 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.409 5.050 1.014 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.622 4.594 2.721 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.944 6.186 2.304 1.00 0.00 H new ATOM 1151 N CYS A 74 3.136 6.366 1.558 1.00 0.00 N ATOM 1152 CA CYS A 74 4.289 6.330 0.673 1.00 0.00 C ATOM 1153 C CYS A 74 5.450 7.048 1.346 1.00 0.00 C ATOM 1154 O CYS A 74 6.524 6.474 1.463 1.00 0.00 O ATOM 1155 CB CYS A 74 3.945 6.921 -0.695 1.00 0.00 C ATOM 1156 SG CYS A 74 2.685 5.878 -1.484 1.00 0.00 S ATOM 0 H CYS A 74 2.322 6.839 1.166 1.00 0.00 H new ATOM 0 HA CYS A 74 4.587 5.298 0.490 1.00 0.00 H new ATOM 0 HB2 CYS A 74 3.575 7.940 -0.583 1.00 0.00 H new ATOM 0 HB3 CYS A 74 4.837 6.972 -1.319 1.00 0.00 H new ATOM 0 HG CYS A 74 1.517 6.433 -1.351 1.00 0.00 H new ATOM 1162 N GLU A 75 5.220 8.251 1.864 1.00 0.00 N ATOM 1163 CA GLU A 75 6.231 9.013 2.581 1.00 0.00 C ATOM 1164 C GLU A 75 6.649 8.363 3.912 1.00 0.00 C ATOM 1165 O GLU A 75 7.620 8.837 4.507 1.00 0.00 O ATOM 1166 CB GLU A 75 5.706 10.438 2.824 1.00 0.00 C ATOM 1167 CG GLU A 75 5.689 11.300 1.547 1.00 0.00 C ATOM 1168 CD GLU A 75 6.679 12.475 1.551 1.00 0.00 C ATOM 1169 OE1 GLU A 75 6.992 13.041 2.633 1.00 0.00 O ATOM 1170 OE2 GLU A 75 7.180 12.840 0.466 1.00 0.00 O ATOM 0 H GLU A 75 4.320 8.726 1.796 1.00 0.00 H new ATOM 0 HA GLU A 75 7.127 9.036 1.960 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.697 10.383 3.232 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.327 10.925 3.576 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.908 10.661 0.691 1.00 0.00 H new ATOM 0 HG3 GLU A 75 4.682 11.692 1.403 1.00 0.00 H new ATOM 1177 N GLU A 76 5.977 7.309 4.403 1.00 0.00 N ATOM 1178 CA GLU A 76 6.519 6.508 5.497 1.00 0.00 C ATOM 1179 C GLU A 76 7.387 5.394 4.912 1.00 0.00 C ATOM 1180 O GLU A 76 8.604 5.381 5.120 1.00 0.00 O ATOM 1181 CB GLU A 76 5.478 6.080 6.556 1.00 0.00 C ATOM 1182 CG GLU A 76 4.814 4.702 6.458 1.00 0.00 C ATOM 1183 CD GLU A 76 3.636 4.503 7.428 1.00 0.00 C ATOM 1184 OE1 GLU A 76 2.568 5.109 7.186 1.00 0.00 O ATOM 1185 OE2 GLU A 76 3.798 3.711 8.394 1.00 0.00 O ATOM 0 H GLU A 76 5.068 6.999 4.060 1.00 0.00 H new ATOM 0 HA GLU A 76 7.171 7.133 6.107 1.00 0.00 H new ATOM 0 HB2 GLU A 76 5.963 6.139 7.531 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.683 6.825 6.550 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.460 4.553 5.438 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.564 3.935 6.651 1.00 0.00 H new ATOM 1192 N MET A 77 6.794 4.477 4.147 1.00 0.00 N ATOM 1193 CA MET A 77 7.424 3.238 3.696 1.00 0.00 C ATOM 1194 C MET A 77 8.574 3.473 2.715 1.00 0.00 C ATOM 1195 O MET A 77 9.454 2.624 2.570 1.00 0.00 O ATOM 1196 CB MET A 77 6.354 2.310 3.105 1.00 0.00 C ATOM 1197 CG MET A 77 5.700 2.827 1.819 1.00 0.00 C ATOM 1198 SD MET A 77 4.140 1.989 1.433 1.00 0.00 S ATOM 1199 CE MET A 77 3.686 2.798 -0.110 1.00 0.00 C ATOM 0 H MET A 77 5.835 4.580 3.815 1.00 0.00 H new ATOM 0 HA MET A 77 7.879 2.759 4.563 1.00 0.00 H new ATOM 0 HB2 MET A 77 6.806 1.339 2.902 1.00 0.00 H new ATOM 0 HB3 MET A 77 5.577 2.150 3.853 1.00 0.00 H new ATOM 0 HG2 MET A 77 5.517 3.897 1.916 1.00 0.00 H new ATOM 0 HG3 MET A 77 6.392 2.696 0.987 1.00 0.00 H new ATOM 0 HE1 MET A 77 3.307 2.056 -0.812 1.00 0.00 H new ATOM 0 HE2 MET A 77 2.914 3.543 0.083 1.00 0.00 H new ATOM 0 HE3 MET A 77 4.562 3.286 -0.536 1.00 0.00 H new ATOM 1209 N LEU A 78 8.598 4.633 2.058 1.00 0.00 N ATOM 1210 CA LEU A 78 9.689 5.000 1.157 1.00 0.00 C ATOM 1211 C LEU A 78 10.950 5.329 1.944 1.00 0.00 C ATOM 1212 O LEU A 78 12.046 5.148 1.421 1.00 0.00 O ATOM 1213 CB LEU A 78 9.254 6.193 0.282 1.00 0.00 C ATOM 1214 CG LEU A 78 10.225 6.663 -0.817 1.00 0.00 C ATOM 1215 CD1 LEU A 78 10.775 5.519 -1.661 1.00 0.00 C ATOM 1216 CD2 LEU A 78 9.483 7.606 -1.777 1.00 0.00 C ATOM 0 H LEU A 78 7.867 5.340 2.135 1.00 0.00 H new ATOM 0 HA LEU A 78 9.918 4.154 0.509 1.00 0.00 H new ATOM 0 HB2 LEU A 78 8.308 5.933 -0.194 1.00 0.00 H new ATOM 0 HB3 LEU A 78 9.058 7.039 0.941 1.00 0.00 H new ATOM 0 HG LEU A 78 11.055 7.150 -0.305 1.00 0.00 H new ATOM 0 HD11 LEU A 78 11.452 5.917 -2.417 1.00 0.00 H new ATOM 0 HD12 LEU A 78 11.315 4.822 -1.021 1.00 0.00 H new ATOM 0 HD13 LEU A 78 9.951 4.999 -2.150 1.00 0.00 H new ATOM 0 HD21 LEU A 78 10.166 7.942 -2.557 1.00 0.00 H new ATOM 0 HD22 LEU A 78 8.645 7.077 -2.231 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.111 8.469 -1.224 1.00 0.00 H new ATOM 1228 N ASP A 79 10.808 5.740 3.205 1.00 0.00 N ATOM 1229 CA ASP A 79 11.933 6.104 4.063 1.00 0.00 C ATOM 1230 C ASP A 79 12.300 4.991 5.036 1.00 0.00 C ATOM 1231 O ASP A 79 13.472 4.782 5.332 1.00 0.00 O ATOM 1232 CB ASP A 79 11.640 7.394 4.827 1.00 0.00 C ATOM 1233 CG ASP A 79 12.886 8.270 4.809 1.00 0.00 C ATOM 1234 OD1 ASP A 79 13.176 8.837 3.730 1.00 0.00 O ATOM 1235 OD2 ASP A 79 13.568 8.370 5.848 1.00 0.00 O ATOM 0 H ASP A 79 9.901 5.830 3.662 1.00 0.00 H new ATOM 0 HA ASP A 79 12.789 6.265 3.408 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.802 7.921 4.371 1.00 0.00 H new ATOM 0 HB3 ASP A 79 11.353 7.167 5.854 1.00 0.00 H new ATOM 1240 N ASN A 80 11.316 4.189 5.454 1.00 0.00 N ATOM 1241 CA ASN A 80 11.544 3.026 6.325 1.00 0.00 C ATOM 1242 C ASN A 80 12.426 1.976 5.645 1.00 0.00 C ATOM 1243 O ASN A 80 12.976 1.112 6.318 1.00 0.00 O ATOM 1244 CB ASN A 80 10.227 2.380 6.786 1.00 0.00 C ATOM 1245 CG ASN A 80 9.602 3.151 7.944 1.00 0.00 C ATOM 1246 OD1 ASN A 80 9.765 2.827 9.121 1.00 0.00 O ATOM 1247 ND2 ASN A 80 8.887 4.218 7.638 1.00 0.00 N ATOM 0 H ASN A 80 10.338 4.326 5.199 1.00 0.00 H new ATOM 0 HA ASN A 80 12.064 3.403 7.206 1.00 0.00 H new ATOM 0 HB2 ASN A 80 9.527 2.344 5.952 1.00 0.00 H new ATOM 0 HB3 ASN A 80 10.413 1.350 7.091 1.00 0.00 H new ATOM 0 HD21 ASN A 80 8.466 4.779 8.378 1.00 0.00 H new ATOM 0 HD22 ASN A 80 8.756 4.481 6.661 1.00 0.00 H new ATOM 1254 N ARG A 81 12.605 2.048 4.321 1.00 0.00 N ATOM 1255 CA ARG A 81 13.613 1.269 3.615 1.00 0.00 C ATOM 1256 C ARG A 81 14.941 2.011 3.471 1.00 0.00 C ATOM 1257 O ARG A 81 15.995 1.386 3.404 1.00 0.00 O ATOM 1258 CB ARG A 81 13.055 0.854 2.262 1.00 0.00 C ATOM 1259 CG ARG A 81 12.809 1.984 1.260 1.00 0.00 C ATOM 1260 CD ARG A 81 13.682 1.878 0.011 1.00 0.00 C ATOM 1261 NE ARG A 81 14.918 2.686 0.082 1.00 0.00 N ATOM 1262 CZ ARG A 81 15.083 3.961 -0.301 1.00 0.00 C ATOM 1263 NH1 ARG A 81 14.047 4.745 -0.563 1.00 0.00 N ATOM 1264 NH2 ARG A 81 16.299 4.476 -0.418 1.00 0.00 N ATOM 0 H ARG A 81 12.051 2.651 3.713 1.00 0.00 H new ATOM 0 HA ARG A 81 13.838 0.382 4.207 1.00 0.00 H new ATOM 0 HB2 ARG A 81 13.744 0.140 1.811 1.00 0.00 H new ATOM 0 HB3 ARG A 81 12.114 0.329 2.425 1.00 0.00 H new ATOM 0 HG2 ARG A 81 11.760 1.977 0.964 1.00 0.00 H new ATOM 0 HG3 ARG A 81 12.997 2.941 1.747 1.00 0.00 H new ATOM 0 HD2 ARG A 81 13.950 0.833 -0.147 1.00 0.00 H new ATOM 0 HD3 ARG A 81 13.101 2.193 -0.856 1.00 0.00 H new ATOM 0 HE ARG A 81 15.740 2.220 0.467 1.00 0.00 H new ATOM 0 HH11 ARG A 81 13.098 4.382 -0.475 1.00 0.00 H new ATOM 0 HH12 ARG A 81 14.199 5.711 -0.853 1.00 0.00 H new ATOM 0 HH21 ARG A 81 17.118 3.902 -0.216 1.00 0.00 H new ATOM 0 HH22 ARG A 81 16.416 5.446 -0.710 1.00 0.00 H new ATOM 1278 N ALA A 82 14.895 3.338 3.383 1.00 0.00 N ATOM 1279 CA ALA A 82 16.040 4.206 3.160 1.00 0.00 C ATOM 1280 C ALA A 82 16.888 4.350 4.433 1.00 0.00 C ATOM 1281 O ALA A 82 18.085 4.603 4.346 1.00 0.00 O ATOM 1282 CB ALA A 82 15.524 5.564 2.662 1.00 0.00 C ATOM 0 H ALA A 82 14.021 3.856 3.469 1.00 0.00 H new ATOM 0 HA ALA A 82 16.695 3.769 2.406 1.00 0.00 H new ATOM 0 HB1 ALA A 82 16.367 6.232 2.488 1.00 0.00 H new ATOM 0 HB2 ALA A 82 14.973 5.425 1.732 1.00 0.00 H new ATOM 0 HB3 ALA A 82 14.865 6.000 3.412 1.00 0.00 H new ATOM 1288 N THR A 83 16.307 4.138 5.610 1.00 0.00 N ATOM 1289 CA THR A 83 16.955 4.208 6.925 1.00 0.00 C ATOM 1290 C THR A 83 18.035 3.129 7.075 1.00 0.00 C ATOM 1291 O THR A 83 18.936 3.236 7.907 1.00 0.00 O ATOM 1292 CB THR A 83 15.859 4.144 8.009 1.00 0.00 C ATOM 1293 OG1 THR A 83 16.341 4.363 9.321 1.00 0.00 O ATOM 1294 CG2 THR A 83 15.172 2.785 8.018 1.00 0.00 C ATOM 0 H THR A 83 15.318 3.900 5.681 1.00 0.00 H new ATOM 0 HA THR A 83 17.488 5.152 7.039 1.00 0.00 H new ATOM 0 HB THR A 83 15.169 4.945 7.744 1.00 0.00 H new ATOM 0 HG1 THR A 83 15.596 4.310 9.956 1.00 0.00 H new ATOM 0 HG21 THR A 83 14.405 2.770 8.792 1.00 0.00 H new ATOM 0 HG22 THR A 83 14.711 2.604 7.047 1.00 0.00 H new ATOM 0 HG23 THR A 83 15.908 2.007 8.221 1.00 0.00 H new