USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 576 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 9 GLN : amide:sc= -2.57 K(o=-6.2,f=-7.9!) USER MOD Set 1.2: A 11 THR OG1 : rot -23:sc= 0.74 USER MOD Set 1.3: A 21 SER OG : rot 180:sc= -4.37! USER MOD Single : A 8 MET CE :methyl 141:sc= -3.93! (180deg=-4.21!) USER MOD Single : A 13 LYS NZ :NH3+ -127:sc= 0 (180deg=-1.01) USER MOD Single : A 20 CYS SG : rot 36:sc= 0.661 USER MOD Single : A 23 GLN : amide:sc= -0.314 X(o=-0.31,f=-0.36) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 38 SER OG : rot -86:sc= 1.27 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.104 K(o=-0.1,f=-0.65) USER MOD Single : A 47 GLN : amide:sc= -3.32! C(o=-3.3!,f=-3.7!) USER MOD Single : A 48 GLN : amide:sc= -0.213 K(o=-0.21,f=-1) USER MOD Single : A 53 LYS NZ :NH3+ -117:sc= 1.1 (180deg=-0.0376) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 165:sc= 0.203 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.318 X(o=-0.32,f=-0.64) USER MOD Single : A 72 SER OG : rot 112:sc= 0.656 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 6.368 -14.373 3.416 1.00 0.00 N ATOM 60 CA GLY A 7 5.825 -13.056 3.695 1.00 0.00 C ATOM 61 C GLY A 7 6.880 -11.969 3.636 1.00 0.00 C ATOM 62 O GLY A 7 8.076 -12.255 3.664 1.00 0.00 O ATOM 0 HA2 GLY A 7 5.036 -12.832 2.977 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.365 -13.058 4.683 1.00 0.00 H new ATOM 66 N MET A 8 6.436 -10.719 3.553 1.00 0.00 N ATOM 67 CA MET A 8 7.351 -9.586 3.489 1.00 0.00 C ATOM 68 C MET A 8 6.824 -8.414 4.311 1.00 0.00 C ATOM 69 O MET A 8 5.690 -8.442 4.790 1.00 0.00 O ATOM 70 CB MET A 8 7.560 -9.152 2.037 1.00 0.00 C ATOM 71 CG MET A 8 6.263 -8.905 1.284 1.00 0.00 C ATOM 72 SD MET A 8 6.536 -8.238 -0.369 1.00 0.00 S ATOM 73 CE MET A 8 5.042 -7.276 -0.596 1.00 0.00 C ATOM 0 H MET A 8 5.448 -10.465 3.529 1.00 0.00 H new ATOM 0 HA MET A 8 8.307 -9.900 3.908 1.00 0.00 H new ATOM 0 HB2 MET A 8 8.159 -8.241 2.021 1.00 0.00 H new ATOM 0 HB3 MET A 8 8.133 -9.919 1.516 1.00 0.00 H new ATOM 0 HG2 MET A 8 5.708 -9.840 1.207 1.00 0.00 H new ATOM 0 HG3 MET A 8 5.643 -8.212 1.853 1.00 0.00 H new ATOM 0 HE1 MET A 8 5.283 -6.346 -1.111 1.00 0.00 H new ATOM 0 HE2 MET A 8 4.329 -7.846 -1.191 1.00 0.00 H new ATOM 0 HE3 MET A 8 4.604 -7.049 0.376 1.00 0.00 H new ATOM 83 N GLN A 9 7.653 -7.388 4.471 1.00 0.00 N ATOM 84 CA GLN A 9 7.269 -6.208 5.236 1.00 0.00 C ATOM 85 C GLN A 9 7.176 -4.981 4.335 1.00 0.00 C ATOM 86 O GLN A 9 8.063 -4.728 3.519 1.00 0.00 O ATOM 87 CB GLN A 9 8.275 -5.954 6.360 1.00 0.00 C ATOM 88 CG GLN A 9 7.884 -4.807 7.279 1.00 0.00 C ATOM 89 CD GLN A 9 8.277 -3.453 6.722 1.00 0.00 C ATOM 90 OE1 GLN A 9 7.427 -2.590 6.501 1.00 0.00 O ATOM 91 NE2 GLN A 9 9.570 -3.260 6.491 1.00 0.00 N ATOM 0 H GLN A 9 8.595 -7.350 4.081 1.00 0.00 H new ATOM 0 HA GLN A 9 6.287 -6.392 5.671 1.00 0.00 H new ATOM 0 HB2 GLN A 9 8.383 -6.863 6.952 1.00 0.00 H new ATOM 0 HB3 GLN A 9 9.250 -5.742 5.922 1.00 0.00 H new ATOM 0 HG2 GLN A 9 6.807 -4.829 7.443 1.00 0.00 H new ATOM 0 HG3 GLN A 9 8.358 -4.947 8.251 1.00 0.00 H new ATOM 0 HE21 GLN A 9 10.240 -4.003 6.689 1.00 0.00 H new ATOM 0 HE22 GLN A 9 9.893 -2.368 6.116 1.00 0.00 H new ATOM 100 N LEU A 10 6.095 -4.223 4.487 1.00 0.00 N ATOM 101 CA LEU A 10 5.885 -3.022 3.686 1.00 0.00 C ATOM 102 C LEU A 10 5.614 -1.814 4.577 1.00 0.00 C ATOM 103 O LEU A 10 5.009 -1.938 5.643 1.00 0.00 O ATOM 104 CB LEU A 10 4.719 -3.229 2.718 1.00 0.00 C ATOM 105 CG LEU A 10 4.938 -4.264 1.614 1.00 0.00 C ATOM 106 CD1 LEU A 10 3.637 -4.540 0.876 1.00 0.00 C ATOM 107 CD2 LEU A 10 6.013 -3.793 0.647 1.00 0.00 C ATOM 0 H LEU A 10 5.351 -4.419 5.157 1.00 0.00 H new ATOM 0 HA LEU A 10 6.794 -2.832 3.115 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.842 -3.523 3.295 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.487 -2.272 2.250 1.00 0.00 H new ATOM 0 HG LEU A 10 5.275 -5.193 2.074 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.812 -5.279 0.094 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.895 -4.922 1.577 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.270 -3.617 0.427 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.155 -4.542 -0.132 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.706 -2.851 0.193 1.00 0.00 H new ATOM 0 HD23 LEU A 10 6.949 -3.648 1.186 1.00 0.00 H new ATOM 119 N THR A 11 6.063 -0.645 4.132 1.00 0.00 N ATOM 120 CA THR A 11 5.868 0.586 4.888 1.00 0.00 C ATOM 121 C THR A 11 5.240 1.671 4.020 1.00 0.00 C ATOM 122 O THR A 11 5.879 2.200 3.112 1.00 0.00 O ATOM 123 CB THR A 11 7.198 1.110 5.462 1.00 0.00 C ATOM 124 OG1 THR A 11 7.981 0.018 5.957 1.00 0.00 O ATOM 125 CG2 THR A 11 6.948 2.110 6.581 1.00 0.00 C ATOM 0 H THR A 11 6.564 -0.525 3.252 1.00 0.00 H new ATOM 0 HA THR A 11 5.194 0.347 5.711 1.00 0.00 H new ATOM 0 HB THR A 11 7.741 1.613 4.662 1.00 0.00 H new ATOM 0 HG1 THR A 11 7.394 -0.740 6.159 1.00 0.00 H new ATOM 0 HG21 THR A 11 7.902 2.466 6.971 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.376 2.954 6.194 1.00 0.00 H new ATOM 0 HG23 THR A 11 6.386 1.628 7.381 1.00 0.00 H new ATOM 133 N VAL A 12 3.983 1.998 4.307 1.00 0.00 N ATOM 134 CA VAL A 12 3.269 3.021 3.553 1.00 0.00 C ATOM 135 C VAL A 12 3.525 4.408 4.131 1.00 0.00 C ATOM 136 O VAL A 12 3.119 4.711 5.253 1.00 0.00 O ATOM 137 CB VAL A 12 1.752 2.754 3.542 1.00 0.00 C ATOM 138 CG1 VAL A 12 1.011 3.913 2.894 1.00 0.00 C ATOM 139 CG2 VAL A 12 1.447 1.448 2.824 1.00 0.00 C ATOM 0 H VAL A 12 3.439 1.569 5.056 1.00 0.00 H new ATOM 0 HA VAL A 12 3.645 2.981 2.531 1.00 0.00 H new ATOM 0 HB VAL A 12 1.408 2.665 4.573 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.059 3.707 2.895 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.205 4.828 3.454 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.356 4.037 1.867 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.371 1.275 2.825 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.804 1.506 1.796 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.948 0.626 3.336 1.00 0.00 H new ATOM 149 N LYS A 13 4.202 5.250 3.357 1.00 0.00 N ATOM 150 CA LYS A 13 4.513 6.607 3.790 1.00 0.00 C ATOM 151 C LYS A 13 3.587 7.617 3.119 1.00 0.00 C ATOM 152 O LYS A 13 3.271 7.493 1.936 1.00 0.00 O ATOM 153 CB LYS A 13 5.971 6.946 3.472 1.00 0.00 C ATOM 154 CG LYS A 13 6.571 7.985 4.402 1.00 0.00 C ATOM 155 CD LYS A 13 7.833 8.596 3.816 1.00 0.00 C ATOM 156 CE LYS A 13 9.028 7.670 3.978 1.00 0.00 C ATOM 157 NZ LYS A 13 9.177 6.748 2.819 1.00 0.00 N ATOM 0 H LYS A 13 4.546 5.016 2.426 1.00 0.00 H new ATOM 0 HA LYS A 13 4.362 6.661 4.868 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.567 6.035 3.526 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.035 7.309 2.446 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.840 8.771 4.592 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.801 7.525 5.363 1.00 0.00 H new ATOM 0 HD2 LYS A 13 7.678 8.810 2.758 1.00 0.00 H new ATOM 0 HD3 LYS A 13 8.039 9.547 4.306 1.00 0.00 H new ATOM 0 HE2 LYS A 13 9.935 8.264 4.088 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.915 7.088 4.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 9.232 5.767 3.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 8.357 6.849 2.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 10.046 6.982 2.298 1.00 0.00 H new ATOM 171 N ALA A 14 3.158 8.618 3.882 1.00 0.00 N ATOM 172 CA ALA A 14 2.272 9.650 3.359 1.00 0.00 C ATOM 173 C ALA A 14 3.013 10.971 3.182 1.00 0.00 C ATOM 174 O ALA A 14 3.952 11.272 3.921 1.00 0.00 O ATOM 175 CB ALA A 14 1.075 9.834 4.280 1.00 0.00 C ATOM 0 H ALA A 14 3.410 8.735 4.863 1.00 0.00 H new ATOM 0 HA ALA A 14 1.917 9.328 2.380 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.422 10.608 3.877 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.525 8.896 4.353 1.00 0.00 H new ATOM 0 HB3 ALA A 14 1.420 10.130 5.271 1.00 0.00 H new ATOM 224 N ARG A 18 2.553 10.981 8.183 1.00 0.00 N ATOM 225 CA ARG A 18 2.012 9.783 8.814 1.00 0.00 C ATOM 226 C ARG A 18 2.290 8.547 7.963 1.00 0.00 C ATOM 227 O ARG A 18 2.003 8.529 6.766 1.00 0.00 O ATOM 228 CB ARG A 18 0.506 9.933 9.038 1.00 0.00 C ATOM 229 CG ARG A 18 0.152 10.744 10.273 1.00 0.00 C ATOM 230 CD ARG A 18 -1.213 10.357 10.821 1.00 0.00 C ATOM 231 NE ARG A 18 -1.872 11.477 11.488 1.00 0.00 N ATOM 232 CZ ARG A 18 -2.344 12.540 10.847 1.00 0.00 C ATOM 233 NH1 ARG A 18 -2.229 12.628 9.529 1.00 0.00 N ATOM 234 NH2 ARG A 18 -2.931 13.518 11.524 1.00 0.00 N ATOM 0 HA ARG A 18 2.505 9.658 9.778 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.063 10.408 8.163 1.00 0.00 H new ATOM 0 HB3 ARG A 18 0.060 8.942 9.124 1.00 0.00 H new ATOM 0 HG2 ARG A 18 0.910 10.590 11.041 1.00 0.00 H new ATOM 0 HG3 ARG A 18 0.159 11.806 10.027 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -1.843 9.999 10.006 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.101 9.531 11.524 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.975 11.441 12.502 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -1.777 11.878 9.005 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -2.592 13.445 9.039 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -3.020 13.454 12.538 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -3.293 14.334 11.031 1.00 0.00 H new ATOM 248 N GLU A 19 2.850 7.517 8.589 1.00 0.00 N ATOM 249 CA GLU A 19 3.167 6.278 7.888 1.00 0.00 C ATOM 250 C GLU A 19 2.762 5.064 8.718 1.00 0.00 C ATOM 251 O GLU A 19 2.363 5.196 9.876 1.00 0.00 O ATOM 252 CB GLU A 19 4.663 6.216 7.569 1.00 0.00 C ATOM 253 CG GLU A 19 5.551 6.265 8.801 1.00 0.00 C ATOM 254 CD GLU A 19 5.714 7.670 9.347 1.00 0.00 C ATOM 255 OE1 GLU A 19 6.529 8.433 8.786 1.00 0.00 O ATOM 256 OE2 GLU A 19 5.027 8.007 10.334 1.00 0.00 O ATOM 0 H GLU A 19 3.093 7.516 9.580 1.00 0.00 H new ATOM 0 HA GLU A 19 2.602 6.263 6.956 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.871 5.299 7.018 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.921 7.047 6.913 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.127 5.625 9.575 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.532 5.859 8.554 1.00 0.00 H new ATOM 263 N CYS A 20 2.867 3.883 8.119 1.00 0.00 N ATOM 264 CA CYS A 20 2.510 2.645 8.802 1.00 0.00 C ATOM 265 C CYS A 20 3.096 1.437 8.077 1.00 0.00 C ATOM 266 O CYS A 20 3.122 1.390 6.848 1.00 0.00 O ATOM 267 CB CYS A 20 0.990 2.510 8.897 1.00 0.00 C ATOM 268 SG CYS A 20 0.269 3.303 10.353 1.00 0.00 S ATOM 0 H CYS A 20 3.196 3.757 7.162 1.00 0.00 H new ATOM 0 HA CYS A 20 2.927 2.680 9.808 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.541 2.941 8.002 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.730 1.452 8.906 1.00 0.00 H new ATOM 0 HG CYS A 20 0.922 4.395 10.621 1.00 0.00 H new ATOM 274 N SER A 21 3.566 0.461 8.849 1.00 0.00 N ATOM 275 CA SER A 21 4.156 -0.745 8.281 1.00 0.00 C ATOM 276 C SER A 21 3.346 -1.979 8.665 1.00 0.00 C ATOM 277 O SER A 21 2.800 -2.060 9.767 1.00 0.00 O ATOM 278 CB SER A 21 5.602 -0.902 8.754 1.00 0.00 C ATOM 279 OG SER A 21 6.316 0.315 8.625 1.00 0.00 O ATOM 0 H SER A 21 3.549 0.483 9.869 1.00 0.00 H new ATOM 0 HA SER A 21 4.145 -0.649 7.195 1.00 0.00 H new ATOM 0 HB2 SER A 21 5.614 -1.226 9.795 1.00 0.00 H new ATOM 0 HB3 SER A 21 6.096 -1.680 8.172 1.00 0.00 H new ATOM 0 HG SER A 21 7.237 0.188 8.935 1.00 0.00 H new ATOM 285 N LEU A 22 3.271 -2.939 7.750 1.00 0.00 N ATOM 286 CA LEU A 22 2.528 -4.171 7.991 1.00 0.00 C ATOM 287 C LEU A 22 3.195 -5.354 7.298 1.00 0.00 C ATOM 288 O LEU A 22 4.102 -5.178 6.484 1.00 0.00 O ATOM 289 CB LEU A 22 1.087 -4.024 7.501 1.00 0.00 C ATOM 290 CG LEU A 22 0.254 -2.936 8.180 1.00 0.00 C ATOM 291 CD1 LEU A 22 0.397 -1.615 7.440 1.00 0.00 C ATOM 292 CD2 LEU A 22 -1.208 -3.352 8.255 1.00 0.00 C ATOM 0 H LEU A 22 3.716 -2.888 6.834 1.00 0.00 H new ATOM 0 HA LEU A 22 2.523 -4.359 9.065 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.108 -3.822 6.430 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.579 -4.979 7.636 1.00 0.00 H new ATOM 0 HG LEU A 22 0.625 -2.802 9.196 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.203 -0.853 7.937 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.443 -1.310 7.439 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.053 -1.734 6.413 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.786 -2.566 8.741 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.592 -3.515 7.248 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.295 -4.274 8.830 1.00 0.00 H new ATOM 304 N GLN A 23 2.738 -6.559 7.624 1.00 0.00 N ATOM 305 CA GLN A 23 3.290 -7.771 7.031 1.00 0.00 C ATOM 306 C GLN A 23 2.313 -8.383 6.033 1.00 0.00 C ATOM 307 O GLN A 23 1.188 -8.736 6.387 1.00 0.00 O ATOM 308 CB GLN A 23 3.629 -8.789 8.121 1.00 0.00 C ATOM 309 CG GLN A 23 4.574 -8.252 9.183 1.00 0.00 C ATOM 310 CD GLN A 23 3.845 -7.543 10.308 1.00 0.00 C ATOM 311 OE1 GLN A 23 3.001 -8.131 10.984 1.00 0.00 O ATOM 312 NE2 GLN A 23 4.169 -6.271 10.514 1.00 0.00 N ATOM 0 H GLN A 23 1.987 -6.722 8.295 1.00 0.00 H new ATOM 0 HA GLN A 23 4.203 -7.502 6.499 1.00 0.00 H new ATOM 0 HB2 GLN A 23 2.706 -9.117 8.600 1.00 0.00 H new ATOM 0 HB3 GLN A 23 4.078 -9.668 7.658 1.00 0.00 H new ATOM 0 HG2 GLN A 23 5.157 -9.076 9.595 1.00 0.00 H new ATOM 0 HG3 GLN A 23 5.280 -7.562 8.721 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.875 -5.823 9.929 1.00 0.00 H new ATOM 0 HE22 GLN A 23 3.712 -5.742 11.257 1.00 0.00 H new ATOM 321 N VAL A 24 2.749 -8.505 4.783 1.00 0.00 N ATOM 322 CA VAL A 24 1.912 -9.075 3.734 1.00 0.00 C ATOM 323 C VAL A 24 2.753 -9.830 2.710 1.00 0.00 C ATOM 324 O VAL A 24 3.898 -9.476 2.428 1.00 0.00 O ATOM 325 CB VAL A 24 1.100 -7.985 3.010 1.00 0.00 C ATOM 326 CG1 VAL A 24 0.001 -7.448 3.915 1.00 0.00 C ATOM 327 CG2 VAL A 24 2.013 -6.862 2.542 1.00 0.00 C ATOM 0 H VAL A 24 3.677 -8.217 4.472 1.00 0.00 H new ATOM 0 HA VAL A 24 1.225 -9.768 4.219 1.00 0.00 H new ATOM 0 HB VAL A 24 0.630 -8.429 2.132 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.562 -6.679 3.386 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.669 -8.261 4.195 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.446 -7.019 4.813 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.422 -6.101 2.033 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.513 -6.417 3.402 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.759 -7.262 1.855 1.00 0.00 H new ATOM 337 N PRO A 25 2.173 -10.897 2.140 1.00 0.00 N ATOM 338 CA PRO A 25 2.851 -11.724 1.138 1.00 0.00 C ATOM 339 C PRO A 25 3.037 -10.994 -0.188 1.00 0.00 C ATOM 340 O PRO A 25 2.183 -10.209 -0.599 1.00 0.00 O ATOM 341 CB PRO A 25 1.905 -12.915 0.963 1.00 0.00 C ATOM 342 CG PRO A 25 0.564 -12.394 1.351 1.00 0.00 C ATOM 343 CD PRO A 25 0.811 -11.376 2.429 1.00 0.00 C ATOM 0 HA PRO A 25 3.857 -12.002 1.453 1.00 0.00 H new ATOM 0 HB2 PRO A 25 1.907 -13.275 -0.066 1.00 0.00 H new ATOM 0 HB3 PRO A 25 2.202 -13.753 1.594 1.00 0.00 H new ATOM 0 HG2 PRO A 25 0.059 -11.943 0.497 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -0.077 -13.198 1.713 1.00 0.00 H new ATOM 0 HD2 PRO A 25 0.083 -10.565 2.391 1.00 0.00 H new ATOM 0 HD3 PRO A 25 0.743 -11.819 3.423 1.00 0.00 H new ATOM 351 N GLU A 26 4.158 -11.258 -0.851 1.00 0.00 N ATOM 352 CA GLU A 26 4.455 -10.624 -2.131 1.00 0.00 C ATOM 353 C GLU A 26 3.351 -10.905 -3.146 1.00 0.00 C ATOM 354 O GLU A 26 3.274 -10.257 -4.190 1.00 0.00 O ATOM 355 CB GLU A 26 5.798 -11.120 -2.671 1.00 0.00 C ATOM 356 CG GLU A 26 5.887 -12.632 -2.786 1.00 0.00 C ATOM 357 CD GLU A 26 7.231 -13.100 -3.308 1.00 0.00 C ATOM 358 OE1 GLU A 26 8.200 -13.115 -2.521 1.00 0.00 O ATOM 359 OE2 GLU A 26 7.315 -13.451 -4.504 1.00 0.00 O ATOM 0 H GLU A 26 4.875 -11.906 -0.524 1.00 0.00 H new ATOM 0 HA GLU A 26 4.511 -9.547 -1.970 1.00 0.00 H new ATOM 0 HB2 GLU A 26 5.971 -10.679 -3.653 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.596 -10.766 -2.018 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.706 -13.078 -1.808 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.100 -12.989 -3.450 1.00 0.00 H new ATOM 366 N ASP A 27 2.499 -11.874 -2.832 1.00 0.00 N ATOM 367 CA ASP A 27 1.398 -12.241 -3.716 1.00 0.00 C ATOM 368 C ASP A 27 0.075 -11.693 -3.192 1.00 0.00 C ATOM 369 O ASP A 27 -0.995 -12.193 -3.537 1.00 0.00 O ATOM 370 CB ASP A 27 1.314 -13.762 -3.857 1.00 0.00 C ATOM 371 CG ASP A 27 2.348 -14.311 -4.820 1.00 0.00 C ATOM 372 OD1 ASP A 27 3.413 -13.677 -4.974 1.00 0.00 O ATOM 373 OD2 ASP A 27 2.093 -15.377 -5.419 1.00 0.00 O ATOM 0 H ASP A 27 2.549 -12.420 -1.972 1.00 0.00 H new ATOM 0 HA ASP A 27 1.590 -11.803 -4.696 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.452 -14.223 -2.879 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.318 -14.038 -4.202 1.00 0.00 H new ATOM 378 N GLU A 28 0.156 -10.663 -2.355 1.00 0.00 N ATOM 379 CA GLU A 28 -1.036 -10.048 -1.782 1.00 0.00 C ATOM 380 C GLU A 28 -1.699 -9.109 -2.785 1.00 0.00 C ATOM 381 O GLU A 28 -1.024 -8.356 -3.488 1.00 0.00 O ATOM 382 CB GLU A 28 -0.679 -9.281 -0.507 1.00 0.00 C ATOM 383 CG GLU A 28 -1.889 -8.863 0.310 1.00 0.00 C ATOM 384 CD GLU A 28 -2.433 -9.990 1.166 1.00 0.00 C ATOM 385 OE1 GLU A 28 -2.704 -11.078 0.614 1.00 0.00 O ATOM 386 OE2 GLU A 28 -2.589 -9.785 2.388 1.00 0.00 O ATOM 0 H GLU A 28 1.034 -10.237 -2.059 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.740 -10.842 -1.534 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.031 -9.902 0.111 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.108 -8.392 -0.775 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.618 -8.024 0.951 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.672 -8.511 -0.362 1.00 0.00 H new ATOM 393 N LEU A 29 -3.025 -9.159 -2.846 1.00 0.00 N ATOM 394 CA LEU A 29 -3.782 -8.313 -3.763 1.00 0.00 C ATOM 395 C LEU A 29 -3.780 -6.862 -3.292 1.00 0.00 C ATOM 396 O LEU A 29 -3.947 -6.584 -2.105 1.00 0.00 O ATOM 397 CB LEU A 29 -5.220 -8.820 -3.886 1.00 0.00 C ATOM 398 CG LEU A 29 -5.383 -10.316 -4.154 1.00 0.00 C ATOM 399 CD1 LEU A 29 -6.853 -10.705 -4.131 1.00 0.00 C ATOM 400 CD2 LEU A 29 -4.752 -10.692 -5.486 1.00 0.00 C ATOM 0 H LEU A 29 -3.599 -9.776 -2.271 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.303 -8.359 -4.741 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.750 -8.576 -2.965 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.710 -8.272 -4.691 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.870 -10.864 -3.364 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -6.950 -11.773 -4.324 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.276 -10.473 -3.153 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -7.389 -10.148 -4.899 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.878 -11.761 -5.659 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.236 -10.135 -6.288 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.689 -10.450 -5.466 1.00 0.00 H new ATOM 412 N VAL A 30 -3.592 -5.941 -4.232 1.00 0.00 N ATOM 413 CA VAL A 30 -3.573 -4.518 -3.914 1.00 0.00 C ATOM 414 C VAL A 30 -4.846 -4.099 -3.187 1.00 0.00 C ATOM 415 O VAL A 30 -4.839 -3.158 -2.395 1.00 0.00 O ATOM 416 CB VAL A 30 -3.415 -3.661 -5.184 1.00 0.00 C ATOM 417 CG1 VAL A 30 -3.504 -2.181 -4.845 1.00 0.00 C ATOM 418 CG2 VAL A 30 -2.100 -3.979 -5.880 1.00 0.00 C ATOM 0 H VAL A 30 -3.451 -6.155 -5.219 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.715 -4.352 -3.263 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.229 -3.902 -5.867 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.390 -1.592 -5.755 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.473 -1.969 -4.394 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.712 -1.920 -4.143 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.004 -3.365 -6.775 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.271 -3.768 -5.205 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.082 -5.032 -6.159 1.00 0.00 H new ATOM 428 N SER A 31 -5.937 -4.807 -3.462 1.00 0.00 N ATOM 429 CA SER A 31 -7.220 -4.507 -2.837 1.00 0.00 C ATOM 430 C SER A 31 -7.142 -4.687 -1.324 1.00 0.00 C ATOM 431 O SER A 31 -7.657 -3.869 -0.561 1.00 0.00 O ATOM 432 CB SER A 31 -8.315 -5.406 -3.413 1.00 0.00 C ATOM 433 OG SER A 31 -9.595 -4.821 -3.247 1.00 0.00 O ATOM 0 H SER A 31 -5.958 -5.592 -4.113 1.00 0.00 H new ATOM 0 HA SER A 31 -7.465 -3.467 -3.050 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.126 -5.581 -4.472 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.289 -6.378 -2.920 1.00 0.00 H new ATOM 0 HG SER A 31 -10.277 -5.414 -3.625 1.00 0.00 H new ATOM 439 N THR A 32 -6.494 -5.766 -0.895 1.00 0.00 N ATOM 440 CA THR A 32 -6.349 -6.057 0.525 1.00 0.00 C ATOM 441 C THR A 32 -5.192 -5.271 1.132 1.00 0.00 C ATOM 442 O THR A 32 -5.252 -4.851 2.289 1.00 0.00 O ATOM 443 CB THR A 32 -6.117 -7.560 0.771 1.00 0.00 C ATOM 444 OG1 THR A 32 -7.187 -8.320 0.198 1.00 0.00 O ATOM 445 CG2 THR A 32 -6.018 -7.856 2.259 1.00 0.00 C ATOM 0 H THR A 32 -6.061 -6.453 -1.512 1.00 0.00 H new ATOM 0 HA THR A 32 -7.281 -5.757 1.005 1.00 0.00 H new ATOM 0 HB THR A 32 -5.177 -7.843 0.298 1.00 0.00 H new ATOM 0 HG1 THR A 32 -7.032 -9.275 0.357 1.00 0.00 H new ATOM 0 HG21 THR A 32 -5.854 -8.923 2.408 1.00 0.00 H new ATOM 0 HG22 THR A 32 -5.185 -7.298 2.686 1.00 0.00 H new ATOM 0 HG23 THR A 32 -6.944 -7.559 2.751 1.00 0.00 H new ATOM 453 N LEU A 33 -4.140 -5.073 0.345 1.00 0.00 N ATOM 454 CA LEU A 33 -2.968 -4.336 0.805 1.00 0.00 C ATOM 455 C LEU A 33 -3.346 -2.918 1.221 1.00 0.00 C ATOM 456 O LEU A 33 -2.689 -2.311 2.067 1.00 0.00 O ATOM 457 CB LEU A 33 -1.906 -4.290 -0.295 1.00 0.00 C ATOM 458 CG LEU A 33 -1.138 -5.590 -0.540 1.00 0.00 C ATOM 459 CD1 LEU A 33 -0.692 -5.680 -1.991 1.00 0.00 C ATOM 460 CD2 LEU A 33 0.058 -5.687 0.395 1.00 0.00 C ATOM 0 H LEU A 33 -4.075 -5.412 -0.615 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.561 -4.854 1.673 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.389 -3.995 -1.227 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.188 -3.508 -0.047 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.804 -6.428 -0.333 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.147 -6.611 -2.147 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.566 -5.657 -2.642 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.043 -4.836 -2.225 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.593 -6.618 0.207 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.726 -4.843 0.220 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.286 -5.669 1.429 1.00 0.00 H new ATOM 472 N LYS A 34 -4.412 -2.395 0.623 1.00 0.00 N ATOM 473 CA LYS A 34 -4.881 -1.050 0.933 1.00 0.00 C ATOM 474 C LYS A 34 -5.837 -1.068 2.122 1.00 0.00 C ATOM 475 O LYS A 34 -5.741 -0.231 3.019 1.00 0.00 O ATOM 476 CB LYS A 34 -5.576 -0.437 -0.284 1.00 0.00 C ATOM 477 CG LYS A 34 -4.635 -0.152 -1.442 1.00 0.00 C ATOM 478 CD LYS A 34 -5.372 -0.140 -2.770 1.00 0.00 C ATOM 479 CE LYS A 34 -4.693 0.776 -3.777 1.00 0.00 C ATOM 480 NZ LYS A 34 -5.187 2.177 -3.673 1.00 0.00 N ATOM 0 H LYS A 34 -4.967 -2.883 -0.080 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.015 -0.441 1.194 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.361 -1.113 -0.623 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.062 0.492 0.015 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.147 0.810 -1.287 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.849 -0.907 -1.468 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.418 -1.153 -3.171 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.400 0.188 -2.614 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -3.615 0.758 -3.615 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.870 0.402 -4.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -4.700 2.770 -4.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.211 2.198 -3.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.995 2.543 -2.719 1.00 0.00 H new ATOM 494 N GLN A 35 -6.757 -2.027 2.121 1.00 0.00 N ATOM 495 CA GLN A 35 -7.729 -2.153 3.201 1.00 0.00 C ATOM 496 C GLN A 35 -7.031 -2.277 4.551 1.00 0.00 C ATOM 497 O GLN A 35 -7.464 -1.687 5.542 1.00 0.00 O ATOM 498 CB GLN A 35 -8.629 -3.368 2.965 1.00 0.00 C ATOM 499 CG GLN A 35 -9.669 -3.153 1.878 1.00 0.00 C ATOM 500 CD GLN A 35 -10.881 -4.048 2.044 1.00 0.00 C ATOM 501 OE1 GLN A 35 -10.770 -5.182 2.512 1.00 0.00 O ATOM 502 NE2 GLN A 35 -12.047 -3.543 1.661 1.00 0.00 N ATOM 0 H GLN A 35 -6.850 -2.727 1.385 1.00 0.00 H new ATOM 0 HA GLN A 35 -8.342 -1.252 3.212 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -8.008 -4.223 2.698 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -9.136 -3.621 3.896 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -9.988 -2.111 1.887 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -9.215 -3.339 0.905 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -12.093 -2.599 1.279 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -12.897 -4.099 1.749 1.00 0.00 H new ATOM 511 N LEU A 36 -5.949 -3.047 4.583 1.00 0.00 N ATOM 512 CA LEU A 36 -5.190 -3.248 5.813 1.00 0.00 C ATOM 513 C LEU A 36 -4.844 -1.913 6.464 1.00 0.00 C ATOM 514 O LEU A 36 -4.995 -1.743 7.674 1.00 0.00 O ATOM 515 CB LEU A 36 -3.910 -4.034 5.522 1.00 0.00 C ATOM 516 CG LEU A 36 -4.100 -5.479 5.061 1.00 0.00 C ATOM 517 CD1 LEU A 36 -2.900 -5.943 4.250 1.00 0.00 C ATOM 518 CD2 LEU A 36 -4.324 -6.395 6.255 1.00 0.00 C ATOM 0 H LEU A 36 -5.578 -3.542 3.772 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.810 -3.818 6.505 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.346 -3.501 4.757 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.298 -4.039 6.424 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.983 -5.523 4.423 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.053 -6.974 3.931 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.784 -5.305 3.374 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.001 -5.883 4.864 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.457 -7.420 5.908 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.460 -6.346 6.918 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.215 -6.076 6.796 1.00 0.00 H new ATOM 530 N VAL A 37 -4.380 -0.967 5.653 1.00 0.00 N ATOM 531 CA VAL A 37 -4.016 0.354 6.149 1.00 0.00 C ATOM 532 C VAL A 37 -5.253 1.216 6.378 1.00 0.00 C ATOM 533 O VAL A 37 -5.263 2.086 7.248 1.00 0.00 O ATOM 534 CB VAL A 37 -3.071 1.080 5.172 1.00 0.00 C ATOM 535 CG1 VAL A 37 -2.663 2.434 5.731 1.00 0.00 C ATOM 536 CG2 VAL A 37 -1.848 0.224 4.879 1.00 0.00 C ATOM 0 H VAL A 37 -4.248 -1.092 4.649 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.501 0.205 7.098 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.603 1.246 4.235 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.996 2.932 5.027 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.551 3.047 5.885 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.149 2.295 6.682 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.192 0.752 4.187 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.312 0.025 5.807 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.163 -0.719 4.432 1.00 0.00 H new ATOM 546 N SER A 38 -6.294 0.967 5.590 1.00 0.00 N ATOM 547 CA SER A 38 -7.536 1.722 5.704 1.00 0.00 C ATOM 548 C SER A 38 -8.009 1.776 7.153 1.00 0.00 C ATOM 549 O SER A 38 -8.678 2.723 7.564 1.00 0.00 O ATOM 550 CB SER A 38 -8.621 1.096 4.825 1.00 0.00 C ATOM 551 OG SER A 38 -9.326 0.087 5.526 1.00 0.00 O ATOM 0 H SER A 38 -6.302 0.249 4.866 1.00 0.00 H new ATOM 0 HA SER A 38 -7.345 2.740 5.364 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.317 1.868 4.495 1.00 0.00 H new ATOM 0 HB3 SER A 38 -8.168 0.672 3.929 1.00 0.00 H new ATOM 0 HG SER A 38 -8.850 -0.765 5.439 1.00 0.00 H new ATOM 557 N GLU A 39 -7.654 0.751 7.923 1.00 0.00 N ATOM 558 CA GLU A 39 -8.042 0.681 9.327 1.00 0.00 C ATOM 559 C GLU A 39 -6.956 1.269 10.222 1.00 0.00 C ATOM 560 O GLU A 39 -7.245 1.981 11.184 1.00 0.00 O ATOM 561 CB GLU A 39 -8.321 -0.768 9.730 1.00 0.00 C ATOM 562 CG GLU A 39 -7.201 -1.728 9.364 1.00 0.00 C ATOM 563 CD GLU A 39 -7.398 -3.108 9.960 1.00 0.00 C ATOM 564 OE1 GLU A 39 -7.538 -3.205 11.197 1.00 0.00 O ATOM 565 OE2 GLU A 39 -7.411 -4.091 9.190 1.00 0.00 O ATOM 0 H GLU A 39 -7.099 -0.041 7.598 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.951 1.268 9.456 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -8.488 -0.811 10.806 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.243 -1.099 9.251 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.138 -1.810 8.279 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -6.251 -1.320 9.708 1.00 0.00 H new ATOM 572 N LYS A 40 -5.703 0.966 9.899 1.00 0.00 N ATOM 573 CA LYS A 40 -4.571 1.464 10.672 1.00 0.00 C ATOM 574 C LYS A 40 -4.651 2.978 10.840 1.00 0.00 C ATOM 575 O LYS A 40 -4.620 3.491 11.960 1.00 0.00 O ATOM 576 CB LYS A 40 -3.255 1.085 9.989 1.00 0.00 C ATOM 577 CG LYS A 40 -2.800 -0.333 10.289 1.00 0.00 C ATOM 578 CD LYS A 40 -2.322 -0.473 11.725 1.00 0.00 C ATOM 579 CE LYS A 40 -1.368 -1.647 11.882 1.00 0.00 C ATOM 580 NZ LYS A 40 -0.399 -1.430 12.991 1.00 0.00 N ATOM 0 H LYS A 40 -5.446 0.378 9.107 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.607 1.004 11.660 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.368 1.201 8.911 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.478 1.781 10.304 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.622 -1.026 10.109 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.995 -0.610 9.608 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -1.824 0.446 12.035 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.180 -0.609 12.384 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.939 -2.556 12.071 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.824 -1.800 10.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.233 -2.252 13.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 0.164 -0.577 12.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -0.916 -1.309 13.885 1.00 0.00 H new ATOM 594 N LEU A 41 -4.756 3.688 9.722 1.00 0.00 N ATOM 595 CA LEU A 41 -4.843 5.144 9.746 1.00 0.00 C ATOM 596 C LEU A 41 -6.292 5.606 9.633 1.00 0.00 C ATOM 597 O LEU A 41 -6.562 6.768 9.333 1.00 0.00 O ATOM 598 CB LEU A 41 -4.014 5.743 8.608 1.00 0.00 C ATOM 599 CG LEU A 41 -2.514 5.446 8.642 1.00 0.00 C ATOM 600 CD1 LEU A 41 -1.926 5.511 7.241 1.00 0.00 C ATOM 601 CD2 LEU A 41 -1.799 6.419 9.568 1.00 0.00 C ATOM 0 H LEU A 41 -4.783 3.279 8.788 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.445 5.491 10.699 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.415 5.378 7.662 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.150 6.824 8.616 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.371 4.437 9.028 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.858 5.297 7.284 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.418 4.775 6.605 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.080 6.508 6.828 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.733 6.193 9.580 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.950 7.438 9.212 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.201 6.324 10.577 1.00 0.00 H new ATOM 613 N ASN A 42 -7.221 4.687 9.877 1.00 0.00 N ATOM 614 CA ASN A 42 -8.643 5.000 9.803 1.00 0.00 C ATOM 615 C ASN A 42 -8.943 5.891 8.601 1.00 0.00 C ATOM 616 O ASN A 42 -9.642 6.897 8.720 1.00 0.00 O ATOM 617 CB ASN A 42 -9.102 5.689 11.090 1.00 0.00 C ATOM 618 CG ASN A 42 -10.612 5.703 11.232 1.00 0.00 C ATOM 619 OD1 ASN A 42 -11.282 4.709 10.949 1.00 0.00 O ATOM 620 ND2 ASN A 42 -11.155 6.832 11.672 1.00 0.00 N ATOM 0 H ASN A 42 -7.014 3.720 10.128 1.00 0.00 H new ATOM 0 HA ASN A 42 -9.190 4.065 9.684 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.664 5.179 11.948 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -8.729 6.713 11.103 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -12.166 6.900 11.788 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -10.561 7.631 11.894 1.00 0.00 H new ATOM 627 N VAL A 43 -8.410 5.512 7.444 1.00 0.00 N ATOM 628 CA VAL A 43 -8.622 6.275 6.220 1.00 0.00 C ATOM 629 C VAL A 43 -9.308 5.427 5.155 1.00 0.00 C ATOM 630 O VAL A 43 -8.997 4.250 4.968 1.00 0.00 O ATOM 631 CB VAL A 43 -7.292 6.811 5.655 1.00 0.00 C ATOM 632 CG1 VAL A 43 -7.523 7.528 4.334 1.00 0.00 C ATOM 633 CG2 VAL A 43 -6.620 7.733 6.661 1.00 0.00 C ATOM 0 H VAL A 43 -7.829 4.682 7.329 1.00 0.00 H new ATOM 0 HA VAL A 43 -9.264 7.117 6.479 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.629 5.966 5.471 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.573 7.899 3.951 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.958 6.834 3.615 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -8.204 8.365 4.489 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.682 8.103 6.246 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.277 8.575 6.879 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.418 7.183 7.580 1.00 0.00 H new ATOM 643 N PRO A 44 -10.264 6.036 4.438 1.00 0.00 N ATOM 644 CA PRO A 44 -11.014 5.355 3.379 1.00 0.00 C ATOM 645 C PRO A 44 -10.151 5.058 2.157 1.00 0.00 C ATOM 646 O PRO A 44 -9.497 5.948 1.615 1.00 0.00 O ATOM 647 CB PRO A 44 -12.115 6.357 3.024 1.00 0.00 C ATOM 648 CG PRO A 44 -11.558 7.685 3.407 1.00 0.00 C ATOM 649 CD PRO A 44 -10.686 7.437 4.607 1.00 0.00 C ATOM 0 HA PRO A 44 -11.390 4.385 3.705 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -12.356 6.320 1.962 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -13.035 6.142 3.567 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -10.982 8.118 2.589 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.356 8.390 3.643 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.832 8.114 4.630 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.233 7.582 5.538 1.00 0.00 H new ATOM 657 N VAL A 45 -10.154 3.799 1.728 1.00 0.00 N ATOM 658 CA VAL A 45 -9.373 3.385 0.569 1.00 0.00 C ATOM 659 C VAL A 45 -9.698 4.243 -0.648 1.00 0.00 C ATOM 660 O VAL A 45 -8.851 4.451 -1.517 1.00 0.00 O ATOM 661 CB VAL A 45 -9.625 1.905 0.223 1.00 0.00 C ATOM 662 CG1 VAL A 45 -8.671 1.442 -0.868 1.00 0.00 C ATOM 663 CG2 VAL A 45 -9.489 1.037 1.465 1.00 0.00 C ATOM 0 H VAL A 45 -10.689 3.049 2.166 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.323 3.516 0.831 1.00 0.00 H new ATOM 0 HB VAL A 45 -10.644 1.806 -0.152 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -8.864 0.394 -1.099 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -8.822 2.045 -1.763 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.643 1.554 -0.524 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -9.670 -0.005 1.202 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -8.483 1.139 1.872 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -10.216 1.354 2.212 1.00 0.00 H new ATOM 673 N ARG A 46 -10.930 4.739 -0.704 1.00 0.00 N ATOM 674 CA ARG A 46 -11.367 5.574 -1.816 1.00 0.00 C ATOM 675 C ARG A 46 -10.536 6.851 -1.896 1.00 0.00 C ATOM 676 O ARG A 46 -10.574 7.565 -2.898 1.00 0.00 O ATOM 677 CB ARG A 46 -12.848 5.925 -1.666 1.00 0.00 C ATOM 678 CG ARG A 46 -13.786 4.827 -2.142 1.00 0.00 C ATOM 679 CD ARG A 46 -13.829 3.667 -1.160 1.00 0.00 C ATOM 680 NE ARG A 46 -14.412 4.055 0.121 1.00 0.00 N ATOM 681 CZ ARG A 46 -15.708 4.289 0.298 1.00 0.00 C ATOM 682 NH1 ARG A 46 -16.550 4.176 -0.720 1.00 0.00 N ATOM 683 NH2 ARG A 46 -16.163 4.638 1.494 1.00 0.00 N ATOM 0 H ARG A 46 -11.643 4.577 0.008 1.00 0.00 H new ATOM 0 HA ARG A 46 -11.226 5.011 -2.738 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -13.057 6.141 -0.618 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -13.055 6.836 -2.227 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -14.789 5.234 -2.270 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -13.461 4.467 -3.118 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -14.409 2.850 -1.589 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -12.819 3.291 -0.999 1.00 0.00 H new ATOM 0 HE ARG A 46 -13.791 4.152 0.924 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -16.203 3.909 -1.641 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -17.544 4.356 -0.582 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -15.518 4.727 2.279 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -17.158 4.817 1.629 1.00 0.00 H new ATOM 697 N GLN A 47 -9.788 7.132 -0.834 1.00 0.00 N ATOM 698 CA GLN A 47 -8.949 8.324 -0.784 1.00 0.00 C ATOM 699 C GLN A 47 -7.475 7.959 -0.927 1.00 0.00 C ATOM 700 O GLN A 47 -6.868 8.192 -1.971 1.00 0.00 O ATOM 701 CB GLN A 47 -9.176 9.078 0.527 1.00 0.00 C ATOM 702 CG GLN A 47 -7.963 9.868 0.991 1.00 0.00 C ATOM 703 CD GLN A 47 -8.340 11.097 1.795 1.00 0.00 C ATOM 704 OE1 GLN A 47 -7.887 11.277 2.926 1.00 0.00 O ATOM 705 NE2 GLN A 47 -9.172 11.953 1.213 1.00 0.00 N ATOM 0 H GLN A 47 -9.746 6.551 0.003 1.00 0.00 H new ATOM 0 HA GLN A 47 -9.227 8.969 -1.618 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -10.018 9.759 0.404 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -9.454 8.365 1.303 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -7.325 9.224 1.596 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -7.378 10.172 0.123 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -9.523 11.764 0.274 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -9.460 12.799 1.705 1.00 0.00 H new ATOM 714 N GLN A 48 -6.908 7.386 0.130 1.00 0.00 N ATOM 715 CA GLN A 48 -5.505 6.990 0.122 1.00 0.00 C ATOM 716 C GLN A 48 -5.176 6.176 -1.126 1.00 0.00 C ATOM 717 O GLN A 48 -5.897 5.242 -1.477 1.00 0.00 O ATOM 718 CB GLN A 48 -5.175 6.179 1.376 1.00 0.00 C ATOM 719 CG GLN A 48 -5.782 4.785 1.377 1.00 0.00 C ATOM 720 CD GLN A 48 -5.580 4.061 2.693 1.00 0.00 C ATOM 721 OE1 GLN A 48 -5.019 4.614 3.639 1.00 0.00 O ATOM 722 NE2 GLN A 48 -6.038 2.816 2.761 1.00 0.00 N ATOM 0 H GLN A 48 -7.398 7.186 1.002 1.00 0.00 H new ATOM 0 HA GLN A 48 -4.898 7.895 0.113 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.092 6.095 1.469 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -5.529 6.721 2.253 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -6.849 4.858 1.167 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -5.338 4.199 0.572 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -6.497 2.397 1.952 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -5.931 2.279 3.622 1.00 0.00 H new ATOM 731 N ARG A 49 -4.083 6.537 -1.790 1.00 0.00 N ATOM 732 CA ARG A 49 -3.660 5.841 -3.000 1.00 0.00 C ATOM 733 C ARG A 49 -2.193 5.431 -2.906 1.00 0.00 C ATOM 734 O ARG A 49 -1.349 6.205 -2.452 1.00 0.00 O ATOM 735 CB ARG A 49 -3.875 6.729 -4.226 1.00 0.00 C ATOM 736 CG ARG A 49 -4.053 5.949 -5.519 1.00 0.00 C ATOM 737 CD ARG A 49 -4.454 6.861 -6.668 1.00 0.00 C ATOM 738 NE ARG A 49 -5.149 6.134 -7.727 1.00 0.00 N ATOM 739 CZ ARG A 49 -5.567 6.698 -8.854 1.00 0.00 C ATOM 740 NH1 ARG A 49 -5.362 7.991 -9.068 1.00 0.00 N ATOM 741 NH2 ARG A 49 -6.193 5.970 -9.770 1.00 0.00 N ATOM 0 H ARG A 49 -3.475 7.307 -1.511 1.00 0.00 H new ATOM 0 HA ARG A 49 -4.265 4.940 -3.102 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -4.755 7.352 -4.063 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.023 7.401 -4.331 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -3.124 5.436 -5.767 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.814 5.181 -5.380 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -5.097 7.656 -6.292 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -3.565 7.338 -7.079 1.00 0.00 H new ATOM 0 HE ARG A 49 -5.323 5.138 -7.593 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -4.882 8.554 -8.366 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -5.684 8.422 -9.935 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -6.354 4.976 -9.609 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -6.514 6.405 -10.635 1.00 0.00 H new ATOM 755 N LEU A 50 -1.896 4.210 -3.337 1.00 0.00 N ATOM 756 CA LEU A 50 -0.531 3.697 -3.302 1.00 0.00 C ATOM 757 C LEU A 50 0.194 3.989 -4.611 1.00 0.00 C ATOM 758 O LEU A 50 -0.425 4.067 -5.673 1.00 0.00 O ATOM 759 CB LEU A 50 -0.539 2.191 -3.035 1.00 0.00 C ATOM 760 CG LEU A 50 -1.076 1.754 -1.672 1.00 0.00 C ATOM 761 CD1 LEU A 50 -1.274 0.246 -1.634 1.00 0.00 C ATOM 762 CD2 LEU A 50 -0.137 2.198 -0.560 1.00 0.00 C ATOM 0 H LEU A 50 -2.582 3.557 -3.715 1.00 0.00 H new ATOM 0 HA LEU A 50 0.000 4.201 -2.494 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.135 1.708 -3.810 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.480 1.819 -3.138 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.043 2.231 -1.515 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.657 -0.046 -0.656 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.987 -0.047 -2.405 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.321 -0.251 -1.814 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.536 1.878 0.403 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.845 1.750 -0.713 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.047 3.284 -0.572 1.00 0.00 H new ATOM 774 N LEU A 51 1.511 4.148 -4.529 1.00 0.00 N ATOM 775 CA LEU A 51 2.322 4.429 -5.708 1.00 0.00 C ATOM 776 C LEU A 51 3.701 3.787 -5.586 1.00 0.00 C ATOM 777 O LEU A 51 4.303 3.784 -4.512 1.00 0.00 O ATOM 778 CB LEU A 51 2.466 5.939 -5.905 1.00 0.00 C ATOM 779 CG LEU A 51 1.256 6.656 -6.506 1.00 0.00 C ATOM 780 CD1 LEU A 51 1.465 8.162 -6.489 1.00 0.00 C ATOM 781 CD2 LEU A 51 0.998 6.168 -7.924 1.00 0.00 C ATOM 0 H LEU A 51 2.039 4.087 -3.659 1.00 0.00 H new ATOM 0 HA LEU A 51 1.818 4.002 -6.575 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.688 6.392 -4.939 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.327 6.121 -6.548 1.00 0.00 H new ATOM 0 HG LEU A 51 0.382 6.424 -5.898 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.594 8.655 -6.920 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.601 8.499 -5.461 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.350 8.413 -7.073 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.134 6.689 -8.336 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.872 6.370 -8.543 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.803 5.096 -7.910 1.00 0.00 H new ATOM 793 N PHE A 52 4.196 3.247 -6.695 1.00 0.00 N ATOM 794 CA PHE A 52 5.505 2.603 -6.712 1.00 0.00 C ATOM 795 C PHE A 52 6.388 3.197 -7.805 1.00 0.00 C ATOM 796 O PHE A 52 6.174 2.955 -8.993 1.00 0.00 O ATOM 797 CB PHE A 52 5.352 1.096 -6.927 1.00 0.00 C ATOM 798 CG PHE A 52 6.612 0.322 -6.663 1.00 0.00 C ATOM 799 CD1 PHE A 52 7.107 0.198 -5.374 1.00 0.00 C ATOM 800 CD2 PHE A 52 7.301 -0.281 -7.702 1.00 0.00 C ATOM 801 CE1 PHE A 52 8.267 -0.512 -5.129 1.00 0.00 C ATOM 802 CE2 PHE A 52 8.462 -0.994 -7.462 1.00 0.00 C ATOM 803 CZ PHE A 52 8.944 -1.110 -6.173 1.00 0.00 C ATOM 0 H PHE A 52 3.711 3.242 -7.593 1.00 0.00 H new ATOM 0 HA PHE A 52 5.982 2.779 -5.748 1.00 0.00 H new ATOM 0 HB2 PHE A 52 4.562 0.722 -6.275 1.00 0.00 H new ATOM 0 HB3 PHE A 52 5.031 0.914 -7.953 1.00 0.00 H new ATOM 0 HD1 PHE A 52 6.580 0.661 -4.553 1.00 0.00 H new ATOM 0 HD2 PHE A 52 6.928 -0.194 -8.712 1.00 0.00 H new ATOM 0 HE1 PHE A 52 8.644 -0.599 -4.121 1.00 0.00 H new ATOM 0 HE2 PHE A 52 8.990 -1.459 -8.281 1.00 0.00 H new ATOM 0 HZ PHE A 52 9.849 -1.668 -5.982 1.00 0.00 H new ATOM 813 N LYS A 53 7.382 3.978 -7.395 1.00 0.00 N ATOM 814 CA LYS A 53 8.300 4.607 -8.337 1.00 0.00 C ATOM 815 C LYS A 53 7.536 5.302 -9.460 1.00 0.00 C ATOM 816 O LYS A 53 7.954 5.276 -10.617 1.00 0.00 O ATOM 817 CB LYS A 53 9.255 3.566 -8.924 1.00 0.00 C ATOM 818 CG LYS A 53 10.349 3.133 -7.963 1.00 0.00 C ATOM 819 CD LYS A 53 11.429 2.333 -8.671 1.00 0.00 C ATOM 820 CE LYS A 53 11.099 0.849 -8.695 1.00 0.00 C ATOM 821 NZ LYS A 53 11.627 0.144 -7.494 1.00 0.00 N ATOM 0 H LYS A 53 7.572 4.190 -6.416 1.00 0.00 H new ATOM 0 HA LYS A 53 8.878 5.356 -7.796 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.682 2.690 -9.227 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.715 3.974 -9.824 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.793 4.012 -7.496 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.915 2.532 -7.163 1.00 0.00 H new ATOM 0 HD2 LYS A 53 11.543 2.698 -9.692 1.00 0.00 H new ATOM 0 HD3 LYS A 53 12.384 2.486 -8.169 1.00 0.00 H new ATOM 0 HE2 LYS A 53 10.018 0.718 -8.747 1.00 0.00 H new ATOM 0 HE3 LYS A 53 11.518 0.398 -9.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 12.331 -0.563 -7.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 12.074 0.833 -6.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 10.845 -0.330 -6.998 1.00 0.00 H new ATOM 835 N GLY A 54 6.414 5.924 -9.110 1.00 0.00 N ATOM 836 CA GLY A 54 5.611 6.617 -10.100 1.00 0.00 C ATOM 837 C GLY A 54 4.714 5.677 -10.881 1.00 0.00 C ATOM 838 O GLY A 54 4.309 5.983 -12.003 1.00 0.00 O ATOM 0 H GLY A 54 6.047 5.960 -8.159 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.999 7.370 -9.604 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.268 7.145 -10.791 1.00 0.00 H new ATOM 842 N LYS A 55 4.405 4.528 -10.289 1.00 0.00 N ATOM 843 CA LYS A 55 3.552 3.539 -10.936 1.00 0.00 C ATOM 844 C LYS A 55 2.220 3.408 -10.205 1.00 0.00 C ATOM 845 O LYS A 55 2.182 3.088 -9.017 1.00 0.00 O ATOM 846 CB LYS A 55 4.256 2.181 -10.984 1.00 0.00 C ATOM 847 CG LYS A 55 3.761 1.278 -12.101 1.00 0.00 C ATOM 848 CD LYS A 55 4.804 0.241 -12.483 1.00 0.00 C ATOM 849 CE LYS A 55 5.938 0.861 -13.284 1.00 0.00 C ATOM 850 NZ LYS A 55 5.570 1.046 -14.715 1.00 0.00 N ATOM 0 H LYS A 55 4.733 4.259 -9.361 1.00 0.00 H new ATOM 0 HA LYS A 55 3.356 3.875 -11.954 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.327 2.341 -11.105 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.115 1.674 -10.029 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.846 0.776 -11.786 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.510 1.881 -12.973 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.205 -0.223 -11.582 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.335 -0.551 -13.067 1.00 0.00 H new ATOM 0 HE2 LYS A 55 6.204 1.825 -12.850 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.821 0.225 -13.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.369 1.471 -15.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.340 0.123 -15.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 4.743 1.673 -14.783 1.00 0.00 H new ATOM 864 N ALA A 56 1.129 3.656 -10.923 1.00 0.00 N ATOM 865 CA ALA A 56 -0.205 3.562 -10.342 1.00 0.00 C ATOM 866 C ALA A 56 -0.662 2.110 -10.249 1.00 0.00 C ATOM 867 O ALA A 56 -0.770 1.416 -11.261 1.00 0.00 O ATOM 868 CB ALA A 56 -1.195 4.377 -11.161 1.00 0.00 C ATOM 0 H ALA A 56 1.143 3.923 -11.907 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.164 3.968 -9.331 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.187 4.298 -10.716 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.885 5.422 -11.173 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.224 3.996 -12.182 1.00 0.00 H new ATOM 874 N LEU A 57 -0.928 1.656 -9.029 1.00 0.00 N ATOM 875 CA LEU A 57 -1.373 0.285 -8.803 1.00 0.00 C ATOM 876 C LEU A 57 -2.868 0.146 -9.077 1.00 0.00 C ATOM 877 O LEU A 57 -3.629 1.100 -8.923 1.00 0.00 O ATOM 878 CB LEU A 57 -1.064 -0.142 -7.368 1.00 0.00 C ATOM 879 CG LEU A 57 0.223 0.418 -6.763 1.00 0.00 C ATOM 880 CD1 LEU A 57 0.411 -0.089 -5.342 1.00 0.00 C ATOM 881 CD2 LEU A 57 1.422 0.050 -7.625 1.00 0.00 C ATOM 0 H LEU A 57 -0.843 2.217 -8.181 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.834 -0.365 -9.493 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.899 0.156 -6.734 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.013 -1.230 -7.337 1.00 0.00 H new ATOM 0 HG LEU A 57 0.143 1.505 -6.731 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.333 0.321 -4.928 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.433 0.226 -4.729 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.469 -1.177 -5.349 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.329 0.457 -7.179 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.504 -1.035 -7.689 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.292 0.464 -8.625 1.00 0.00 H new ATOM 893 N ALA A 58 -3.281 -1.051 -9.481 1.00 0.00 N ATOM 894 CA ALA A 58 -4.684 -1.317 -9.772 1.00 0.00 C ATOM 895 C ALA A 58 -5.266 -2.329 -8.791 1.00 0.00 C ATOM 896 O ALA A 58 -4.902 -3.505 -8.808 1.00 0.00 O ATOM 897 CB ALA A 58 -4.842 -1.814 -11.201 1.00 0.00 C ATOM 0 H ALA A 58 -2.663 -1.852 -9.614 1.00 0.00 H new ATOM 0 HA ALA A 58 -5.235 -0.383 -9.661 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -5.895 -2.009 -11.404 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.473 -1.057 -11.893 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.271 -2.733 -11.332 1.00 0.00 H new ATOM 903 N ASP A 59 -6.170 -1.864 -7.936 1.00 0.00 N ATOM 904 CA ASP A 59 -6.803 -2.729 -6.947 1.00 0.00 C ATOM 905 C ASP A 59 -7.201 -4.064 -7.568 1.00 0.00 C ATOM 906 O ASP A 59 -8.141 -4.137 -8.358 1.00 0.00 O ATOM 907 CB ASP A 59 -8.033 -2.043 -6.350 1.00 0.00 C ATOM 908 CG ASP A 59 -9.025 -1.608 -7.411 1.00 0.00 C ATOM 909 OD1 ASP A 59 -9.844 -2.448 -7.837 1.00 0.00 O ATOM 910 OD2 ASP A 59 -8.981 -0.427 -7.816 1.00 0.00 O ATOM 0 H ASP A 59 -6.481 -0.893 -7.908 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.082 -2.919 -6.152 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.524 -2.724 -5.655 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -7.717 -1.173 -5.774 1.00 0.00 H new ATOM 915 N GLY A 60 -6.477 -5.119 -7.205 1.00 0.00 N ATOM 916 CA GLY A 60 -6.770 -6.437 -7.737 1.00 0.00 C ATOM 917 C GLY A 60 -5.515 -7.218 -8.074 1.00 0.00 C ATOM 918 O GLY A 60 -5.410 -8.405 -7.762 1.00 0.00 O ATOM 0 H GLY A 60 -5.694 -5.084 -6.553 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.358 -6.997 -7.010 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.383 -6.336 -8.633 1.00 0.00 H new ATOM 922 N LYS A 61 -4.559 -6.552 -8.713 1.00 0.00 N ATOM 923 CA LYS A 61 -3.304 -7.190 -9.094 1.00 0.00 C ATOM 924 C LYS A 61 -2.460 -7.506 -7.863 1.00 0.00 C ATOM 925 O LYS A 61 -2.768 -7.062 -6.757 1.00 0.00 O ATOM 926 CB LYS A 61 -2.518 -6.288 -10.047 1.00 0.00 C ATOM 927 CG LYS A 61 -3.184 -6.107 -11.401 1.00 0.00 C ATOM 928 CD LYS A 61 -2.172 -5.745 -12.475 1.00 0.00 C ATOM 929 CE LYS A 61 -2.806 -4.912 -13.579 1.00 0.00 C ATOM 930 NZ LYS A 61 -1.838 -4.607 -14.669 1.00 0.00 N ATOM 0 H LYS A 61 -4.629 -5.570 -8.978 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.540 -8.125 -9.602 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -2.386 -5.311 -9.583 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.523 -6.708 -10.194 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.699 -7.026 -11.680 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -3.941 -5.325 -11.334 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.347 -5.191 -12.027 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -1.750 -6.655 -12.901 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -3.661 -5.447 -13.992 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -3.185 -3.980 -13.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.308 -4.038 -15.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.034 -4.074 -14.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.495 -5.495 -15.087 1.00 0.00 H new ATOM 944 N ARG A 62 -1.393 -8.273 -8.064 1.00 0.00 N ATOM 945 CA ARG A 62 -0.505 -8.647 -6.971 1.00 0.00 C ATOM 946 C ARG A 62 0.785 -7.833 -7.016 1.00 0.00 C ATOM 947 O ARG A 62 1.372 -7.637 -8.081 1.00 0.00 O ATOM 948 CB ARG A 62 -0.180 -10.141 -7.037 1.00 0.00 C ATOM 949 CG ARG A 62 -1.406 -11.035 -6.954 1.00 0.00 C ATOM 950 CD ARG A 62 -1.118 -12.427 -7.494 1.00 0.00 C ATOM 951 NE ARG A 62 -2.343 -13.145 -7.837 1.00 0.00 N ATOM 952 CZ ARG A 62 -2.359 -14.294 -8.503 1.00 0.00 C ATOM 953 NH1 ARG A 62 -1.223 -14.853 -8.895 1.00 0.00 N ATOM 954 NH2 ARG A 62 -3.514 -14.887 -8.777 1.00 0.00 N ATOM 0 H ARG A 62 -1.123 -8.647 -8.974 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.016 -8.435 -6.032 1.00 0.00 H new ATOM 0 HB2 ARG A 62 0.348 -10.349 -7.968 1.00 0.00 H new ATOM 0 HB3 ARG A 62 0.499 -10.393 -6.222 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -1.736 -11.107 -5.918 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -2.224 -10.587 -7.518 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -0.484 -12.349 -8.377 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -0.560 -12.996 -6.750 1.00 0.00 H new ATOM 0 HE ARG A 62 -3.235 -12.742 -7.549 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -0.333 -14.401 -8.685 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -1.239 -15.735 -9.406 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -4.390 -14.460 -8.476 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -3.526 -15.769 -9.289 1.00 0.00 H new ATOM 968 N LEU A 63 1.220 -7.360 -5.853 1.00 0.00 N ATOM 969 CA LEU A 63 2.441 -6.566 -5.759 1.00 0.00 C ATOM 970 C LEU A 63 3.604 -7.272 -6.448 1.00 0.00 C ATOM 971 O LEU A 63 4.513 -6.626 -6.970 1.00 0.00 O ATOM 972 CB LEU A 63 2.787 -6.298 -4.293 1.00 0.00 C ATOM 973 CG LEU A 63 2.050 -5.134 -3.631 1.00 0.00 C ATOM 974 CD1 LEU A 63 2.416 -5.039 -2.158 1.00 0.00 C ATOM 975 CD2 LEU A 63 2.364 -3.828 -4.346 1.00 0.00 C ATOM 0 H LEU A 63 0.746 -7.512 -4.963 1.00 0.00 H new ATOM 0 HA LEU A 63 2.267 -5.616 -6.264 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.583 -7.203 -3.721 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.858 -6.111 -4.222 1.00 0.00 H new ATOM 0 HG LEU A 63 0.978 -5.318 -3.707 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.882 -4.205 -1.703 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.139 -5.965 -1.654 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.490 -4.879 -2.059 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.831 -3.010 -3.861 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.436 -3.638 -4.302 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.050 -3.899 -5.387 1.00 0.00 H new ATOM 987 N SER A 64 3.568 -8.600 -6.447 1.00 0.00 N ATOM 988 CA SER A 64 4.620 -9.394 -7.070 1.00 0.00 C ATOM 989 C SER A 64 4.728 -9.080 -8.559 1.00 0.00 C ATOM 990 O SER A 64 5.812 -9.134 -9.139 1.00 0.00 O ATOM 991 CB SER A 64 4.348 -10.887 -6.871 1.00 0.00 C ATOM 992 OG SER A 64 5.241 -11.675 -7.638 1.00 0.00 O ATOM 0 H SER A 64 2.821 -9.149 -6.021 1.00 0.00 H new ATOM 0 HA SER A 64 5.565 -9.137 -6.592 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.449 -11.141 -5.816 1.00 0.00 H new ATOM 0 HB3 SER A 64 3.321 -11.114 -7.157 1.00 0.00 H new ATOM 0 HG SER A 64 5.047 -12.625 -7.492 1.00 0.00 H new ATOM 998 N ASP A 65 3.596 -8.752 -9.171 1.00 0.00 N ATOM 999 CA ASP A 65 3.561 -8.428 -10.593 1.00 0.00 C ATOM 1000 C ASP A 65 4.240 -7.088 -10.861 1.00 0.00 C ATOM 1001 O ASP A 65 4.879 -6.901 -11.897 1.00 0.00 O ATOM 1002 CB ASP A 65 2.117 -8.391 -11.094 1.00 0.00 C ATOM 1003 CG ASP A 65 2.003 -7.808 -12.489 1.00 0.00 C ATOM 1004 OD1 ASP A 65 2.925 -8.029 -13.302 1.00 0.00 O ATOM 1005 OD2 ASP A 65 0.991 -7.131 -12.768 1.00 0.00 O ATOM 0 H ASP A 65 2.690 -8.703 -8.705 1.00 0.00 H new ATOM 0 HA ASP A 65 4.104 -9.205 -11.131 1.00 0.00 H new ATOM 0 HB2 ASP A 65 1.709 -9.402 -11.091 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.512 -7.801 -10.406 1.00 0.00 H new ATOM 1010 N TYR A 66 4.097 -6.160 -9.922 1.00 0.00 N ATOM 1011 CA TYR A 66 4.693 -4.836 -10.059 1.00 0.00 C ATOM 1012 C TYR A 66 6.171 -4.863 -9.680 1.00 0.00 C ATOM 1013 O TYR A 66 6.794 -3.818 -9.490 1.00 0.00 O ATOM 1014 CB TYR A 66 3.949 -3.826 -9.184 1.00 0.00 C ATOM 1015 CG TYR A 66 2.561 -3.498 -9.685 1.00 0.00 C ATOM 1016 CD1 TYR A 66 2.366 -2.551 -10.683 1.00 0.00 C ATOM 1017 CD2 TYR A 66 1.443 -4.137 -9.161 1.00 0.00 C ATOM 1018 CE1 TYR A 66 1.099 -2.248 -11.143 1.00 0.00 C ATOM 1019 CE2 TYR A 66 0.173 -3.841 -9.616 1.00 0.00 C ATOM 1020 CZ TYR A 66 0.006 -2.896 -10.607 1.00 0.00 C ATOM 1021 OH TYR A 66 -1.258 -2.598 -11.063 1.00 0.00 O ATOM 0 H TYR A 66 3.574 -6.300 -9.058 1.00 0.00 H new ATOM 0 HA TYR A 66 4.609 -4.533 -11.103 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.877 -4.220 -8.170 1.00 0.00 H new ATOM 0 HB3 TYR A 66 4.533 -2.907 -9.128 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.220 -2.043 -11.106 1.00 0.00 H new ATOM 0 HD2 TYR A 66 1.570 -4.877 -8.385 1.00 0.00 H new ATOM 0 HE1 TYR A 66 0.965 -1.508 -11.918 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -0.685 -4.347 -9.198 1.00 0.00 H new ATOM 0 HH TYR A 66 -1.884 -3.292 -10.769 1.00 0.00 H new ATOM 1031 N SER A 67 6.726 -6.066 -9.572 1.00 0.00 N ATOM 1032 CA SER A 67 8.130 -6.231 -9.213 1.00 0.00 C ATOM 1033 C SER A 67 8.433 -5.552 -7.881 1.00 0.00 C ATOM 1034 O SER A 67 9.449 -4.871 -7.736 1.00 0.00 O ATOM 1035 CB SER A 67 9.029 -5.655 -10.308 1.00 0.00 C ATOM 1036 OG SER A 67 9.020 -6.479 -11.461 1.00 0.00 O ATOM 0 H SER A 67 6.225 -6.941 -9.728 1.00 0.00 H new ATOM 0 HA SER A 67 8.331 -7.297 -9.112 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.691 -4.653 -10.571 1.00 0.00 H new ATOM 0 HB3 SER A 67 10.048 -5.559 -9.933 1.00 0.00 H new ATOM 0 HG SER A 67 9.601 -6.088 -12.147 1.00 0.00 H new ATOM 1042 N ILE A 68 7.544 -5.742 -6.911 1.00 0.00 N ATOM 1043 CA ILE A 68 7.717 -5.149 -5.591 1.00 0.00 C ATOM 1044 C ILE A 68 8.016 -6.216 -4.544 1.00 0.00 C ATOM 1045 O ILE A 68 7.114 -6.901 -4.065 1.00 0.00 O ATOM 1046 CB ILE A 68 6.466 -4.360 -5.160 1.00 0.00 C ATOM 1047 CG1 ILE A 68 6.270 -3.139 -6.061 1.00 0.00 C ATOM 1048 CG2 ILE A 68 6.582 -3.937 -3.703 1.00 0.00 C ATOM 1049 CD1 ILE A 68 4.885 -2.538 -5.972 1.00 0.00 C ATOM 0 H ILE A 68 6.698 -6.302 -7.015 1.00 0.00 H new ATOM 0 HA ILE A 68 8.562 -4.465 -5.661 1.00 0.00 H new ATOM 0 HB ILE A 68 5.594 -5.007 -5.262 1.00 0.00 H new ATOM 0 HG12 ILE A 68 7.005 -2.379 -5.794 1.00 0.00 H new ATOM 0 HG13 ILE A 68 6.468 -3.425 -7.094 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.691 -3.381 -3.414 1.00 0.00 H new ATOM 0 HG22 ILE A 68 6.678 -4.822 -3.074 1.00 0.00 H new ATOM 0 HG23 ILE A 68 7.461 -3.305 -3.576 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.819 -1.677 -6.637 1.00 0.00 H new ATOM 0 HD12 ILE A 68 4.146 -3.282 -6.267 1.00 0.00 H new ATOM 0 HD13 ILE A 68 4.691 -2.221 -4.947 1.00 0.00 H new ATOM 1061 N GLY A 69 9.292 -6.351 -4.192 1.00 0.00 N ATOM 1062 CA GLY A 69 9.688 -7.336 -3.203 1.00 0.00 C ATOM 1063 C GLY A 69 9.673 -6.780 -1.793 1.00 0.00 C ATOM 1064 O GLY A 69 9.002 -5.790 -1.500 1.00 0.00 O ATOM 0 H GLY A 69 10.057 -5.796 -4.574 1.00 0.00 H new ATOM 0 HA2 GLY A 69 9.017 -8.193 -3.259 1.00 0.00 H new ATOM 0 HA3 GLY A 69 10.689 -7.699 -3.437 1.00 0.00 H new ATOM 1068 N PRO A 70 10.428 -7.424 -0.890 1.00 0.00 N ATOM 1069 CA PRO A 70 10.515 -7.006 0.512 1.00 0.00 C ATOM 1070 C PRO A 70 11.267 -5.690 0.679 1.00 0.00 C ATOM 1071 O PRO A 70 11.928 -5.221 -0.246 1.00 0.00 O ATOM 1072 CB PRO A 70 11.285 -8.150 1.176 1.00 0.00 C ATOM 1073 CG PRO A 70 12.084 -8.758 0.075 1.00 0.00 C ATOM 1074 CD PRO A 70 11.254 -8.611 -1.170 1.00 0.00 C ATOM 0 HA PRO A 70 9.531 -6.828 0.946 1.00 0.00 H new ATOM 0 HB2 PRO A 70 11.928 -7.783 1.976 1.00 0.00 H new ATOM 0 HB3 PRO A 70 10.607 -8.878 1.621 1.00 0.00 H new ATOM 0 HG2 PRO A 70 13.044 -8.254 -0.035 1.00 0.00 H new ATOM 0 HG3 PRO A 70 12.296 -9.807 0.281 1.00 0.00 H new ATOM 0 HD2 PRO A 70 11.876 -8.468 -2.053 1.00 0.00 H new ATOM 0 HD3 PRO A 70 10.641 -9.494 -1.351 1.00 0.00 H new ATOM 1082 N ASN A 71 11.161 -5.100 1.865 1.00 0.00 N ATOM 1083 CA ASN A 71 11.831 -3.837 2.152 1.00 0.00 C ATOM 1084 C ASN A 71 11.458 -2.776 1.122 1.00 0.00 C ATOM 1085 O ASN A 71 12.286 -1.948 0.741 1.00 0.00 O ATOM 1086 CB ASN A 71 13.348 -4.034 2.172 1.00 0.00 C ATOM 1087 CG ASN A 71 14.074 -2.870 2.819 1.00 0.00 C ATOM 1088 OD1 ASN A 71 14.632 -2.014 2.133 1.00 0.00 O ATOM 1089 ND2 ASN A 71 14.070 -2.834 4.146 1.00 0.00 N ATOM 0 H ASN A 71 10.618 -5.476 2.642 1.00 0.00 H new ATOM 0 HA ASN A 71 11.502 -3.495 3.134 1.00 0.00 H new ATOM 0 HB2 ASN A 71 13.585 -4.951 2.711 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.709 -4.161 1.151 1.00 0.00 H new ATOM 0 HD21 ASN A 71 14.542 -2.075 4.637 1.00 0.00 H new ATOM 0 HD22 ASN A 71 13.594 -3.565 4.675 1.00 0.00 H new ATOM 1096 N SER A 72 10.207 -2.807 0.674 1.00 0.00 N ATOM 1097 CA SER A 72 9.725 -1.850 -0.315 1.00 0.00 C ATOM 1098 C SER A 72 8.878 -0.766 0.345 1.00 0.00 C ATOM 1099 O SER A 72 7.965 -1.059 1.118 1.00 0.00 O ATOM 1100 CB SER A 72 8.908 -2.566 -1.392 1.00 0.00 C ATOM 1101 OG SER A 72 9.753 -3.164 -2.360 1.00 0.00 O ATOM 0 H SER A 72 9.509 -3.485 0.980 1.00 0.00 H new ATOM 0 HA SER A 72 10.591 -1.378 -0.779 1.00 0.00 H new ATOM 0 HB2 SER A 72 8.282 -3.329 -0.930 1.00 0.00 H new ATOM 0 HB3 SER A 72 8.239 -1.856 -1.878 1.00 0.00 H new ATOM 0 HG SER A 72 9.693 -4.140 -2.289 1.00 0.00 H new ATOM 1107 N LYS A 73 9.188 0.488 0.036 1.00 0.00 N ATOM 1108 CA LYS A 73 8.456 1.618 0.596 1.00 0.00 C ATOM 1109 C LYS A 73 7.440 2.159 -0.405 1.00 0.00 C ATOM 1110 O LYS A 73 7.809 2.694 -1.451 1.00 0.00 O ATOM 1111 CB LYS A 73 9.427 2.729 1.004 1.00 0.00 C ATOM 1112 CG LYS A 73 10.077 2.501 2.358 1.00 0.00 C ATOM 1113 CD LYS A 73 11.221 3.472 2.598 1.00 0.00 C ATOM 1114 CE LYS A 73 11.830 3.285 3.979 1.00 0.00 C ATOM 1115 NZ LYS A 73 12.728 2.099 4.033 1.00 0.00 N ATOM 0 H LYS A 73 9.942 0.748 -0.600 1.00 0.00 H new ATOM 0 HA LYS A 73 7.920 1.270 1.479 1.00 0.00 H new ATOM 0 HB2 LYS A 73 10.206 2.816 0.246 1.00 0.00 H new ATOM 0 HB3 LYS A 73 8.893 3.679 1.022 1.00 0.00 H new ATOM 0 HG2 LYS A 73 9.331 2.615 3.145 1.00 0.00 H new ATOM 0 HG3 LYS A 73 10.449 1.478 2.417 1.00 0.00 H new ATOM 0 HD2 LYS A 73 11.989 3.327 1.838 1.00 0.00 H new ATOM 0 HD3 LYS A 73 10.859 4.495 2.494 1.00 0.00 H new ATOM 0 HE2 LYS A 73 12.391 4.178 4.252 1.00 0.00 H new ATOM 0 HE3 LYS A 73 11.034 3.171 4.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 13.123 2.006 4.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 12.187 1.243 3.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 13.502 2.218 3.349 1.00 0.00 H new ATOM 1129 N LEU A 74 6.161 2.017 -0.077 1.00 0.00 N ATOM 1130 CA LEU A 74 5.091 2.494 -0.946 1.00 0.00 C ATOM 1131 C LEU A 74 4.742 3.946 -0.636 1.00 0.00 C ATOM 1132 O LEU A 74 4.828 4.383 0.511 1.00 0.00 O ATOM 1133 CB LEU A 74 3.849 1.614 -0.789 1.00 0.00 C ATOM 1134 CG LEU A 74 3.761 0.405 -1.722 1.00 0.00 C ATOM 1135 CD1 LEU A 74 2.959 -0.712 -1.072 1.00 0.00 C ATOM 1136 CD2 LEU A 74 3.142 0.803 -3.054 1.00 0.00 C ATOM 0 H LEU A 74 5.839 1.575 0.784 1.00 0.00 H new ATOM 0 HA LEU A 74 5.442 2.437 -1.976 1.00 0.00 H new ATOM 0 HB2 LEU A 74 3.809 1.257 0.240 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.967 2.234 -0.946 1.00 0.00 H new ATOM 0 HG LEU A 74 4.771 0.039 -1.909 1.00 0.00 H new ATOM 0 HD11 LEU A 74 2.907 -1.564 -1.750 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.444 -1.016 -0.144 1.00 0.00 H new ATOM 0 HD13 LEU A 74 1.951 -0.358 -0.856 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.087 -0.070 -3.705 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.138 1.194 -2.886 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.756 1.570 -3.526 1.00 0.00 H new ATOM 1148 N ASN A 75 4.345 4.687 -1.665 1.00 0.00 N ATOM 1149 CA ASN A 75 3.980 6.090 -1.501 1.00 0.00 C ATOM 1150 C ASN A 75 2.466 6.251 -1.410 1.00 0.00 C ATOM 1151 O ASN A 75 1.722 5.708 -2.228 1.00 0.00 O ATOM 1152 CB ASN A 75 4.524 6.918 -2.667 1.00 0.00 C ATOM 1153 CG ASN A 75 5.940 7.401 -2.422 1.00 0.00 C ATOM 1154 OD1 ASN A 75 6.756 6.693 -1.832 1.00 0.00 O ATOM 1155 ND2 ASN A 75 6.239 8.613 -2.876 1.00 0.00 N ATOM 0 H ASN A 75 4.268 4.340 -2.621 1.00 0.00 H new ATOM 0 HA ASN A 75 4.421 6.449 -0.571 1.00 0.00 H new ATOM 0 HB2 ASN A 75 4.500 6.319 -3.577 1.00 0.00 H new ATOM 0 HB3 ASN A 75 3.874 7.777 -2.834 1.00 0.00 H new ATOM 0 HD21 ASN A 75 7.177 8.991 -2.741 1.00 0.00 H new ATOM 0 HD22 ASN A 75 5.531 9.165 -3.360 1.00 0.00 H new ATOM 1162 N LEU A 76 2.016 7.002 -0.410 1.00 0.00 N ATOM 1163 CA LEU A 76 0.590 7.237 -0.212 1.00 0.00 C ATOM 1164 C LEU A 76 0.190 8.618 -0.721 1.00 0.00 C ATOM 1165 O LEU A 76 0.960 9.573 -0.626 1.00 0.00 O ATOM 1166 CB LEU A 76 0.233 7.103 1.270 1.00 0.00 C ATOM 1167 CG LEU A 76 -1.228 6.778 1.581 1.00 0.00 C ATOM 1168 CD1 LEU A 76 -1.626 5.453 0.950 1.00 0.00 C ATOM 1169 CD2 LEU A 76 -1.459 6.745 3.085 1.00 0.00 C ATOM 0 H LEU A 76 2.618 7.458 0.276 1.00 0.00 H new ATOM 0 HA LEU A 76 0.040 6.488 -0.781 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.858 6.323 1.705 1.00 0.00 H new ATOM 0 HB3 LEU A 76 0.492 8.036 1.771 1.00 0.00 H new ATOM 0 HG LEU A 76 -1.853 7.563 1.155 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.669 5.238 1.182 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.500 5.512 -0.131 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.995 4.657 1.346 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.504 6.512 3.288 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.824 5.982 3.534 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.215 7.718 3.512 1.00 0.00 H new ATOM 1181 N VAL A 77 -1.022 8.716 -1.260 1.00 0.00 N ATOM 1182 CA VAL A 77 -1.527 9.980 -1.781 1.00 0.00 C ATOM 1183 C VAL A 77 -2.961 10.227 -1.328 1.00 0.00 C ATOM 1184 O VAL A 77 -3.782 9.310 -1.302 1.00 0.00 O ATOM 1185 CB VAL A 77 -1.472 10.015 -3.319 1.00 0.00 C ATOM 1186 CG1 VAL A 77 -1.792 11.410 -3.834 1.00 0.00 C ATOM 1187 CG2 VAL A 77 -0.109 9.554 -3.814 1.00 0.00 C ATOM 0 H VAL A 77 -1.672 7.935 -1.347 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.884 10.766 -1.385 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.225 9.329 -3.708 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.748 11.415 -4.923 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.792 11.697 -3.510 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.065 12.119 -3.439 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.088 9.585 -4.903 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.664 10.212 -3.417 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.075 8.534 -3.477 1.00 0.00 H new ATOM 1197 N VAL A 78 -3.258 11.474 -0.973 1.00 0.00 N ATOM 1198 CA VAL A 78 -4.594 11.843 -0.522 1.00 0.00 C ATOM 1199 C VAL A 78 -5.411 12.443 -1.661 1.00 0.00 C ATOM 1200 O VAL A 78 -5.034 13.462 -2.241 1.00 0.00 O ATOM 1201 CB VAL A 78 -4.536 12.851 0.641 1.00 0.00 C ATOM 1202 CG1 VAL A 78 -3.940 14.170 0.175 1.00 0.00 C ATOM 1203 CG2 VAL A 78 -5.922 13.062 1.232 1.00 0.00 C ATOM 0 H VAL A 78 -2.591 12.245 -0.989 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.075 10.929 -0.175 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.892 12.444 1.420 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.907 14.870 1.010 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.929 14.001 -0.197 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.556 14.586 -0.623 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.863 13.777 2.053 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.591 13.447 0.462 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -6.307 12.113 1.605 1.00 0.00 H new