USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 671 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 8 TYR OH : rot 40:sc= -1.94! USER MOD Set 1.2: A 34 HIS : no HD1:sc= -8.77! C(o=-11!,f=-7.2!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -132:sc= 0.337 (180deg=-0.388) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 160:sc= -2.24 USER MOD Single : A 37 SER OG : rot -34:sc= 0.13 USER MOD Single : A 38 GLN : amide:sc= -0.416 X(o=-0.42,f=-0.19) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -2.02 K(o=-2,f=-6.3!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.115 X(o=-0.11,f=-0.0037) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.818 K(o=-0.82,f=-0.006) USER MOD Single : A 81 LYS NZ :NH3+ 142:sc= -2.62! (180deg=-4.43!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 GLN : amide:sc= -1.94 K(o=-1.9,f=-0.68) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 157 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 158 SER OG : rot 76:sc= 0.641 USER MOD Single : A 162 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 164 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0795) USER MOD Single : A 165 SER OG : rot 85:sc= 0.593 USER MOD ----------------------------------------------------------------- ATOM 11 N LYS A 2 9.577 -4.247 12.443 1.00 0.00 N ATOM 12 CA LYS A 2 9.045 -3.695 11.208 1.00 0.00 C ATOM 13 C LYS A 2 9.172 -4.737 10.094 1.00 0.00 C ATOM 14 O LYS A 2 10.121 -5.519 10.075 1.00 0.00 O ATOM 15 CB LYS A 2 9.719 -2.361 10.882 1.00 0.00 C ATOM 16 CG LYS A 2 9.243 -1.260 11.833 1.00 0.00 C ATOM 17 CD LYS A 2 10.411 -0.376 12.277 1.00 0.00 C ATOM 18 CE LYS A 2 10.552 -0.378 13.799 1.00 0.00 C ATOM 19 NZ LYS A 2 11.132 0.901 14.268 1.00 0.00 N ATOM 0 HA LYS A 2 7.984 -3.470 11.317 1.00 0.00 H new ATOM 0 HB2 LYS A 2 10.801 -2.468 10.957 1.00 0.00 H new ATOM 0 HB3 LYS A 2 9.497 -2.079 9.853 1.00 0.00 H new ATOM 0 HG2 LYS A 2 8.487 -0.649 11.339 1.00 0.00 H new ATOM 0 HG3 LYS A 2 8.769 -1.708 12.706 1.00 0.00 H new ATOM 0 HD2 LYS A 2 11.335 -0.733 11.822 1.00 0.00 H new ATOM 0 HD3 LYS A 2 10.255 0.643 11.924 1.00 0.00 H new ATOM 0 HE2 LYS A 2 9.577 -0.532 14.260 1.00 0.00 H new ATOM 0 HE3 LYS A 2 11.187 -1.208 14.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 11.221 0.883 15.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 12.072 1.033 13.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 10.511 1.687 13.988 1.00 0.00 H new ATOM 33 N LYS A 3 8.202 -4.713 9.192 1.00 0.00 N ATOM 34 CA LYS A 3 8.194 -5.644 8.076 1.00 0.00 C ATOM 35 C LYS A 3 6.992 -5.346 7.176 1.00 0.00 C ATOM 36 O LYS A 3 6.089 -6.169 7.049 1.00 0.00 O ATOM 37 CB LYS A 3 8.239 -7.086 8.583 1.00 0.00 C ATOM 38 CG LYS A 3 8.123 -8.079 7.423 1.00 0.00 C ATOM 39 CD LYS A 3 9.489 -8.673 7.072 1.00 0.00 C ATOM 40 CE LYS A 3 9.463 -10.199 7.166 1.00 0.00 C ATOM 41 NZ LYS A 3 9.140 -10.629 8.546 1.00 0.00 N ATOM 0 H LYS A 3 7.416 -4.063 9.211 1.00 0.00 H new ATOM 0 HA LYS A 3 9.088 -5.516 7.466 1.00 0.00 H new ATOM 0 HB2 LYS A 3 9.171 -7.257 9.121 1.00 0.00 H new ATOM 0 HB3 LYS A 3 7.427 -7.252 9.291 1.00 0.00 H new ATOM 0 HG2 LYS A 3 7.433 -8.879 7.692 1.00 0.00 H new ATOM 0 HG3 LYS A 3 7.705 -7.577 6.550 1.00 0.00 H new ATOM 0 HD2 LYS A 3 9.772 -8.372 6.063 1.00 0.00 H new ATOM 0 HD3 LYS A 3 10.247 -8.276 7.748 1.00 0.00 H new ATOM 0 HE2 LYS A 3 8.724 -10.599 6.472 1.00 0.00 H new ATOM 0 HE3 LYS A 3 10.431 -10.604 6.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 9.816 -11.359 8.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 9.202 -9.813 9.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 8.176 -11.017 8.572 1.00 0.00 H new ATOM 55 N ILE A 4 7.023 -4.163 6.578 1.00 0.00 N ATOM 56 CA ILE A 4 5.947 -3.747 5.694 1.00 0.00 C ATOM 57 C ILE A 4 6.052 -4.511 4.373 1.00 0.00 C ATOM 58 O ILE A 4 7.143 -4.905 3.966 1.00 0.00 O ATOM 59 CB ILE A 4 5.951 -2.225 5.528 1.00 0.00 C ATOM 60 CG1 ILE A 4 6.377 -1.532 6.823 1.00 0.00 C ATOM 61 CG2 ILE A 4 4.595 -1.724 5.028 1.00 0.00 C ATOM 62 CD1 ILE A 4 7.784 -0.946 6.694 1.00 0.00 C ATOM 0 H ILE A 4 7.774 -3.482 6.688 1.00 0.00 H new ATOM 0 HA ILE A 4 4.979 -3.996 6.128 1.00 0.00 H new ATOM 0 HB ILE A 4 6.689 -1.967 4.768 1.00 0.00 H new ATOM 0 HG12 ILE A 4 5.670 -0.739 7.065 1.00 0.00 H new ATOM 0 HG13 ILE A 4 6.350 -2.245 7.647 1.00 0.00 H new ATOM 0 HG21 ILE A 4 4.625 -0.640 4.919 1.00 0.00 H new ATOM 0 HG22 ILE A 4 4.372 -2.180 4.063 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.820 -1.995 5.745 1.00 0.00 H new ATOM 0 HD11 ILE A 4 8.062 -0.459 7.629 1.00 0.00 H new ATOM 0 HD12 ILE A 4 8.492 -1.745 6.476 1.00 0.00 H new ATOM 0 HD13 ILE A 4 7.801 -0.216 5.885 1.00 0.00 H new ATOM 74 N GLY A 5 4.903 -4.696 3.741 1.00 0.00 N ATOM 75 CA GLY A 5 4.852 -5.405 2.474 1.00 0.00 C ATOM 76 C GLY A 5 3.841 -4.758 1.523 1.00 0.00 C ATOM 77 O GLY A 5 3.202 -3.768 1.872 1.00 0.00 O ATOM 0 H GLY A 5 4.000 -4.367 4.083 1.00 0.00 H new ATOM 0 HA2 GLY A 5 5.840 -5.406 2.014 1.00 0.00 H new ATOM 0 HA3 GLY A 5 4.579 -6.446 2.647 1.00 0.00 H new ATOM 81 N LEU A 6 3.729 -5.346 0.341 1.00 0.00 N ATOM 82 CA LEU A 6 2.808 -4.838 -0.662 1.00 0.00 C ATOM 83 C LEU A 6 2.196 -6.015 -1.427 1.00 0.00 C ATOM 84 O LEU A 6 2.906 -6.748 -2.115 1.00 0.00 O ATOM 85 CB LEU A 6 3.505 -3.816 -1.560 1.00 0.00 C ATOM 86 CG LEU A 6 5.033 -3.787 -1.485 1.00 0.00 C ATOM 87 CD1 LEU A 6 5.647 -3.532 -2.862 1.00 0.00 C ATOM 88 CD2 LEU A 6 5.510 -2.767 -0.448 1.00 0.00 C ATOM 0 H LEU A 6 4.260 -6.169 0.055 1.00 0.00 H new ATOM 0 HA LEU A 6 1.985 -4.302 -0.189 1.00 0.00 H new ATOM 0 HB2 LEU A 6 3.216 -4.012 -2.592 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.130 -2.824 -1.307 1.00 0.00 H new ATOM 0 HG LEU A 6 5.377 -4.768 -1.157 1.00 0.00 H new ATOM 0 HD11 LEU A 6 6.734 -3.517 -2.779 1.00 0.00 H new ATOM 0 HD12 LEU A 6 5.347 -4.325 -3.547 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.299 -2.572 -3.244 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.599 -2.765 -0.414 1.00 0.00 H new ATOM 0 HD22 LEU A 6 5.154 -1.774 -0.724 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.116 -3.034 0.533 1.00 0.00 H new ATOM 100 N PHE A 7 0.887 -6.158 -1.281 1.00 0.00 N ATOM 101 CA PHE A 7 0.173 -7.232 -1.950 1.00 0.00 C ATOM 102 C PHE A 7 -0.979 -6.682 -2.793 1.00 0.00 C ATOM 103 O PHE A 7 -1.890 -6.045 -2.266 1.00 0.00 O ATOM 104 CB PHE A 7 -0.397 -8.138 -0.857 1.00 0.00 C ATOM 105 CG PHE A 7 0.626 -9.098 -0.248 1.00 0.00 C ATOM 106 CD1 PHE A 7 1.764 -8.611 0.317 1.00 0.00 C ATOM 107 CD2 PHE A 7 0.398 -10.439 -0.271 1.00 0.00 C ATOM 108 CE1 PHE A 7 2.714 -9.502 0.882 1.00 0.00 C ATOM 109 CE2 PHE A 7 1.349 -11.330 0.295 1.00 0.00 C ATOM 110 CZ PHE A 7 2.486 -10.843 0.859 1.00 0.00 C ATOM 0 H PHE A 7 0.302 -5.548 -0.709 1.00 0.00 H new ATOM 0 HA PHE A 7 0.848 -7.771 -2.614 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -0.813 -7.516 -0.064 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -1.221 -8.718 -1.273 1.00 0.00 H new ATOM 0 HD1 PHE A 7 1.945 -7.546 0.336 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -0.505 -10.826 -0.719 1.00 0.00 H new ATOM 0 HE1 PHE A 7 3.617 -9.115 1.330 1.00 0.00 H new ATOM 0 HE2 PHE A 7 1.169 -12.395 0.277 1.00 0.00 H new ATOM 0 HZ PHE A 7 3.209 -11.521 1.289 1.00 0.00 H new ATOM 120 N TYR A 8 -0.902 -6.949 -4.089 1.00 0.00 N ATOM 121 CA TYR A 8 -1.927 -6.489 -5.010 1.00 0.00 C ATOM 122 C TYR A 8 -2.561 -7.663 -5.756 1.00 0.00 C ATOM 123 O TYR A 8 -2.186 -8.815 -5.540 1.00 0.00 O ATOM 124 CB TYR A 8 -1.213 -5.585 -6.016 1.00 0.00 C ATOM 125 CG TYR A 8 0.195 -6.055 -6.387 1.00 0.00 C ATOM 126 CD1 TYR A 8 1.229 -5.916 -5.481 1.00 0.00 C ATOM 127 CD2 TYR A 8 0.433 -6.618 -7.623 1.00 0.00 C ATOM 128 CE1 TYR A 8 2.554 -6.359 -5.828 1.00 0.00 C ATOM 129 CE2 TYR A 8 1.759 -7.060 -7.970 1.00 0.00 C ATOM 130 CZ TYR A 8 2.753 -6.910 -7.056 1.00 0.00 C ATOM 131 OH TYR A 8 4.006 -7.327 -7.383 1.00 0.00 O ATOM 0 H TYR A 8 -0.145 -7.478 -4.523 1.00 0.00 H new ATOM 0 HA TYR A 8 -2.722 -5.971 -4.473 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -1.814 -5.522 -6.923 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -1.152 -4.578 -5.604 1.00 0.00 H new ATOM 0 HD1 TYR A 8 1.043 -5.475 -4.513 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -0.375 -6.728 -8.331 1.00 0.00 H new ATOM 0 HE1 TYR A 8 3.371 -6.256 -5.130 1.00 0.00 H new ATOM 0 HE2 TYR A 8 1.959 -7.501 -8.935 1.00 0.00 H new ATOM 0 HH TYR A 8 4.422 -7.755 -6.606 1.00 0.00 H new ATOM 141 N GLY A 9 -3.510 -7.331 -6.619 1.00 0.00 N ATOM 142 CA GLY A 9 -4.201 -8.345 -7.398 1.00 0.00 C ATOM 143 C GLY A 9 -3.952 -8.148 -8.896 1.00 0.00 C ATOM 144 O GLY A 9 -4.442 -8.921 -9.717 1.00 0.00 O ATOM 0 H GLY A 9 -3.817 -6.374 -6.796 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -3.861 -9.336 -7.096 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -5.271 -8.299 -7.194 1.00 0.00 H new ATOM 252 N SER A 17 11.459 0.436 -12.524 1.00 0.00 N ATOM 253 CA SER A 17 11.382 -0.407 -11.342 1.00 0.00 C ATOM 254 C SER A 17 10.882 0.410 -10.150 1.00 0.00 C ATOM 255 O SER A 17 11.611 0.608 -9.179 1.00 0.00 O ATOM 256 CB SER A 17 12.741 -1.035 -11.024 1.00 0.00 C ATOM 257 OG SER A 17 13.145 -1.967 -12.022 1.00 0.00 O ATOM 0 HA SER A 17 10.678 -1.214 -11.542 1.00 0.00 H new ATOM 0 HB2 SER A 17 13.492 -0.250 -10.936 1.00 0.00 H new ATOM 0 HB3 SER A 17 12.691 -1.537 -10.058 1.00 0.00 H new ATOM 0 HG SER A 17 14.017 -2.344 -11.783 1.00 0.00 H new ATOM 263 N VAL A 18 9.642 0.863 -10.260 1.00 0.00 N ATOM 264 CA VAL A 18 9.036 1.654 -9.203 1.00 0.00 C ATOM 265 C VAL A 18 9.110 0.878 -7.887 1.00 0.00 C ATOM 266 O VAL A 18 9.389 1.456 -6.836 1.00 0.00 O ATOM 267 CB VAL A 18 7.606 2.038 -9.591 1.00 0.00 C ATOM 268 CG1 VAL A 18 6.919 2.804 -8.459 1.00 0.00 C ATOM 269 CG2 VAL A 18 7.589 2.846 -10.889 1.00 0.00 C ATOM 0 H VAL A 18 9.040 0.697 -11.066 1.00 0.00 H new ATOM 0 HA VAL A 18 9.582 2.587 -9.062 1.00 0.00 H new ATOM 0 HB VAL A 18 7.046 1.119 -9.762 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.904 3.065 -8.760 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.883 2.180 -7.566 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.479 3.714 -8.243 1.00 0.00 H new ATOM 0 HG21 VAL A 18 6.561 3.106 -11.142 1.00 0.00 H new ATOM 0 HG22 VAL A 18 8.172 3.757 -10.758 1.00 0.00 H new ATOM 0 HG23 VAL A 18 8.022 2.251 -11.694 1.00 0.00 H new ATOM 279 N ALA A 19 8.856 -0.419 -7.985 1.00 0.00 N ATOM 280 CA ALA A 19 8.890 -1.280 -6.815 1.00 0.00 C ATOM 281 C ALA A 19 10.212 -1.072 -6.074 1.00 0.00 C ATOM 282 O ALA A 19 10.238 -1.015 -4.846 1.00 0.00 O ATOM 283 CB ALA A 19 8.685 -2.733 -7.245 1.00 0.00 C ATOM 0 H ALA A 19 8.626 -0.895 -8.857 1.00 0.00 H new ATOM 0 HA ALA A 19 8.083 -1.027 -6.128 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.710 -3.379 -6.368 1.00 0.00 H new ATOM 0 HB2 ALA A 19 7.720 -2.833 -7.741 1.00 0.00 H new ATOM 0 HB3 ALA A 19 9.479 -3.024 -7.933 1.00 0.00 H new ATOM 289 N GLU A 20 11.280 -0.965 -6.852 1.00 0.00 N ATOM 290 CA GLU A 20 12.603 -0.765 -6.284 1.00 0.00 C ATOM 291 C GLU A 20 12.718 0.640 -5.689 1.00 0.00 C ATOM 292 O GLU A 20 13.460 0.853 -4.730 1.00 0.00 O ATOM 293 CB GLU A 20 13.691 -1.006 -7.331 1.00 0.00 C ATOM 294 CG GLU A 20 14.894 -1.723 -6.717 1.00 0.00 C ATOM 295 CD GLU A 20 16.194 -0.975 -7.020 1.00 0.00 C ATOM 296 OE1 GLU A 20 16.297 -0.312 -8.063 1.00 0.00 O ATOM 297 OE2 GLU A 20 17.115 -1.097 -6.127 1.00 0.00 O ATOM 0 H GLU A 20 11.256 -1.013 -7.871 1.00 0.00 H new ATOM 0 HA GLU A 20 12.747 -1.491 -5.484 1.00 0.00 H new ATOM 0 HB2 GLU A 20 13.287 -1.602 -8.150 1.00 0.00 H new ATOM 0 HB3 GLU A 20 14.009 -0.054 -7.756 1.00 0.00 H new ATOM 0 HG2 GLU A 20 14.761 -1.805 -5.638 1.00 0.00 H new ATOM 0 HG3 GLU A 20 14.955 -2.738 -7.109 1.00 0.00 H new ATOM 305 N ILE A 21 11.971 1.562 -6.278 1.00 0.00 N ATOM 306 CA ILE A 21 11.982 2.940 -5.817 1.00 0.00 C ATOM 307 C ILE A 21 11.306 3.019 -4.445 1.00 0.00 C ATOM 308 O ILE A 21 11.899 3.509 -3.485 1.00 0.00 O ATOM 309 CB ILE A 21 11.352 3.860 -6.866 1.00 0.00 C ATOM 310 CG1 ILE A 21 12.360 4.213 -7.960 1.00 0.00 C ATOM 311 CG2 ILE A 21 10.755 5.107 -6.213 1.00 0.00 C ATOM 312 CD1 ILE A 21 12.604 3.021 -8.887 1.00 0.00 C ATOM 0 H ILE A 21 11.354 1.382 -7.070 1.00 0.00 H new ATOM 0 HA ILE A 21 13.006 3.292 -5.690 1.00 0.00 H new ATOM 0 HB ILE A 21 10.532 3.323 -7.344 1.00 0.00 H new ATOM 0 HG12 ILE A 21 11.991 5.059 -8.540 1.00 0.00 H new ATOM 0 HG13 ILE A 21 13.301 4.523 -7.506 1.00 0.00 H new ATOM 0 HG21 ILE A 21 10.314 5.744 -6.980 1.00 0.00 H new ATOM 0 HG22 ILE A 21 9.985 4.811 -5.500 1.00 0.00 H new ATOM 0 HG23 ILE A 21 11.540 5.656 -5.693 1.00 0.00 H new ATOM 0 HD11 ILE A 21 13.325 3.300 -9.656 1.00 0.00 H new ATOM 0 HD12 ILE A 21 12.996 2.184 -8.308 1.00 0.00 H new ATOM 0 HD13 ILE A 21 11.666 2.729 -9.358 1.00 0.00 H new ATOM 324 N ILE A 22 10.076 2.529 -4.398 1.00 0.00 N ATOM 325 CA ILE A 22 9.314 2.537 -3.160 1.00 0.00 C ATOM 326 C ILE A 22 10.121 1.837 -2.066 1.00 0.00 C ATOM 327 O ILE A 22 10.181 2.313 -0.933 1.00 0.00 O ATOM 328 CB ILE A 22 7.926 1.934 -3.381 1.00 0.00 C ATOM 329 CG1 ILE A 22 7.137 1.880 -2.073 1.00 0.00 C ATOM 330 CG2 ILE A 22 8.024 0.561 -4.048 1.00 0.00 C ATOM 331 CD1 ILE A 22 6.781 3.286 -1.588 1.00 0.00 C ATOM 0 H ILE A 22 9.588 2.124 -5.197 1.00 0.00 H new ATOM 0 HA ILE A 22 9.142 3.560 -2.825 1.00 0.00 H new ATOM 0 HB ILE A 22 7.376 2.584 -4.062 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.226 1.300 -2.218 1.00 0.00 H new ATOM 0 HG13 ILE A 22 7.724 1.367 -1.311 1.00 0.00 H new ATOM 0 HG21 ILE A 22 7.023 0.155 -4.193 1.00 0.00 H new ATOM 0 HG22 ILE A 22 8.519 0.660 -5.014 1.00 0.00 H new ATOM 0 HG23 ILE A 22 8.600 -0.112 -3.413 1.00 0.00 H new ATOM 0 HD11 ILE A 22 6.220 3.218 -0.656 1.00 0.00 H new ATOM 0 HD12 ILE A 22 7.695 3.856 -1.421 1.00 0.00 H new ATOM 0 HD13 ILE A 22 6.174 3.788 -2.341 1.00 0.00 H new ATOM 343 N ARG A 23 10.724 0.718 -2.442 1.00 0.00 N ATOM 344 CA ARG A 23 11.524 -0.051 -1.506 1.00 0.00 C ATOM 345 C ARG A 23 12.652 0.811 -0.935 1.00 0.00 C ATOM 346 O ARG A 23 12.795 0.926 0.281 1.00 0.00 O ATOM 347 CB ARG A 23 12.128 -1.284 -2.182 1.00 0.00 C ATOM 348 CG ARG A 23 11.085 -2.393 -2.331 1.00 0.00 C ATOM 349 CD ARG A 23 11.676 -3.610 -3.048 1.00 0.00 C ATOM 350 NE ARG A 23 10.908 -4.825 -2.698 1.00 0.00 N ATOM 351 CZ ARG A 23 11.416 -6.076 -2.729 1.00 0.00 C ATOM 352 NH1 ARG A 23 12.699 -6.286 -3.092 1.00 0.00 N ATOM 353 NH2 ARG A 23 10.638 -7.090 -2.397 1.00 0.00 N ATOM 0 H ARG A 23 10.674 0.326 -3.382 1.00 0.00 H new ATOM 0 HA ARG A 23 10.867 -0.376 -0.699 1.00 0.00 H new ATOM 0 HB2 ARG A 23 12.517 -1.011 -3.163 1.00 0.00 H new ATOM 0 HB3 ARG A 23 12.971 -1.649 -1.595 1.00 0.00 H new ATOM 0 HG2 ARG A 23 10.720 -2.688 -1.347 1.00 0.00 H new ATOM 0 HG3 ARG A 23 10.228 -2.018 -2.890 1.00 0.00 H new ATOM 0 HD2 ARG A 23 11.653 -3.454 -4.126 1.00 0.00 H new ATOM 0 HD3 ARG A 23 12.721 -3.737 -2.766 1.00 0.00 H new ATOM 0 HE ARG A 23 9.934 -4.711 -2.416 1.00 0.00 H new ATOM 0 HH11 ARG A 23 13.293 -5.497 -3.346 1.00 0.00 H new ATOM 0 HH12 ARG A 23 13.075 -7.234 -3.113 1.00 0.00 H new ATOM 0 HH21 ARG A 23 9.670 -6.922 -2.123 1.00 0.00 H new ATOM 0 HH22 ARG A 23 11.005 -8.042 -2.415 1.00 0.00 H new ATOM 367 N ASP A 24 13.422 1.397 -1.841 1.00 0.00 N ATOM 368 CA ASP A 24 14.531 2.246 -1.442 1.00 0.00 C ATOM 369 C ASP A 24 13.991 3.466 -0.692 1.00 0.00 C ATOM 370 O ASP A 24 14.718 4.102 0.068 1.00 0.00 O ATOM 371 CB ASP A 24 15.307 2.747 -2.662 1.00 0.00 C ATOM 372 CG ASP A 24 16.339 1.767 -3.219 1.00 0.00 C ATOM 373 OD1 ASP A 24 16.263 1.351 -4.386 1.00 0.00 O ATOM 374 OD2 ASP A 24 17.268 1.423 -2.392 1.00 0.00 O ATOM 0 H ASP A 24 13.299 1.300 -2.849 1.00 0.00 H new ATOM 0 HA ASP A 24 15.195 1.658 -0.808 1.00 0.00 H new ATOM 0 HB2 ASP A 24 14.596 2.990 -3.451 1.00 0.00 H new ATOM 0 HB3 ASP A 24 15.815 3.674 -2.395 1.00 0.00 H new ATOM 380 N GLU A 25 12.720 3.753 -0.933 1.00 0.00 N ATOM 381 CA GLU A 25 12.073 4.884 -0.289 1.00 0.00 C ATOM 382 C GLU A 25 11.773 4.559 1.175 1.00 0.00 C ATOM 383 O GLU A 25 12.070 5.356 2.064 1.00 0.00 O ATOM 384 CB GLU A 25 10.799 5.284 -1.036 1.00 0.00 C ATOM 385 CG GLU A 25 10.977 6.632 -1.738 1.00 0.00 C ATOM 386 CD GLU A 25 11.501 7.693 -0.767 1.00 0.00 C ATOM 387 OE1 GLU A 25 12.130 8.671 -1.198 1.00 0.00 O ATOM 388 OE2 GLU A 25 11.232 7.474 0.475 1.00 0.00 O ATOM 0 H GLU A 25 12.121 3.222 -1.565 1.00 0.00 H new ATOM 0 HA GLU A 25 12.754 5.735 -0.319 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.547 4.518 -1.770 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.965 5.341 -0.336 1.00 0.00 H new ATOM 0 HG2 GLU A 25 11.671 6.523 -2.572 1.00 0.00 H new ATOM 0 HG3 GLU A 25 10.024 6.956 -2.157 1.00 0.00 H new ATOM 396 N PHE A 26 11.188 3.389 1.381 1.00 0.00 N ATOM 397 CA PHE A 26 10.845 2.949 2.723 1.00 0.00 C ATOM 398 C PHE A 26 12.076 2.948 3.632 1.00 0.00 C ATOM 399 O PHE A 26 11.949 2.908 4.853 1.00 0.00 O ATOM 400 CB PHE A 26 10.314 1.519 2.603 1.00 0.00 C ATOM 401 CG PHE A 26 8.793 1.409 2.733 1.00 0.00 C ATOM 402 CD1 PHE A 26 8.224 1.267 3.961 1.00 0.00 C ATOM 403 CD2 PHE A 26 8.009 1.450 1.623 1.00 0.00 C ATOM 404 CE1 PHE A 26 6.814 1.163 4.083 1.00 0.00 C ATOM 405 CE2 PHE A 26 6.599 1.346 1.744 1.00 0.00 C ATOM 406 CZ PHE A 26 6.031 1.205 2.972 1.00 0.00 C ATOM 0 H PHE A 26 10.942 2.731 0.641 1.00 0.00 H new ATOM 0 HA PHE A 26 10.106 3.623 3.157 1.00 0.00 H new ATOM 0 HB2 PHE A 26 10.617 1.109 1.640 1.00 0.00 H new ATOM 0 HB3 PHE A 26 10.780 0.903 3.372 1.00 0.00 H new ATOM 0 HD1 PHE A 26 8.846 1.233 4.843 1.00 0.00 H new ATOM 0 HD2 PHE A 26 8.460 1.562 0.648 1.00 0.00 H new ATOM 0 HE1 PHE A 26 6.363 1.051 5.058 1.00 0.00 H new ATOM 0 HE2 PHE A 26 5.977 1.379 0.862 1.00 0.00 H new ATOM 0 HZ PHE A 26 4.958 1.126 3.065 1.00 0.00 H new ATOM 416 N GLY A 27 13.239 2.992 2.998 1.00 0.00 N ATOM 417 CA GLY A 27 14.492 2.995 3.734 1.00 0.00 C ATOM 418 C GLY A 27 14.845 1.588 4.222 1.00 0.00 C ATOM 419 O GLY A 27 15.576 0.860 3.554 1.00 0.00 O ATOM 0 H GLY A 27 13.340 3.026 1.984 1.00 0.00 H new ATOM 0 HA2 GLY A 27 15.291 3.374 3.097 1.00 0.00 H new ATOM 0 HA3 GLY A 27 14.416 3.671 4.586 1.00 0.00 H new ATOM 423 N ASN A 28 14.308 1.249 5.385 1.00 0.00 N ATOM 424 CA ASN A 28 14.557 -0.058 5.971 1.00 0.00 C ATOM 425 C ASN A 28 14.478 -1.125 4.878 1.00 0.00 C ATOM 426 O ASN A 28 13.941 -0.876 3.799 1.00 0.00 O ATOM 427 CB ASN A 28 13.510 -0.393 7.036 1.00 0.00 C ATOM 428 CG ASN A 28 13.987 0.030 8.426 1.00 0.00 C ATOM 429 OD1 ASN A 28 14.611 -0.724 9.153 1.00 0.00 O ATOM 430 ND2 ASN A 28 13.659 1.277 8.754 1.00 0.00 N ATOM 0 H ASN A 28 13.702 1.856 5.937 1.00 0.00 H new ATOM 0 HA ASN A 28 15.545 -0.039 6.431 1.00 0.00 H new ATOM 0 HB2 ASN A 28 12.573 0.111 6.800 1.00 0.00 H new ATOM 0 HB3 ASN A 28 13.307 -1.464 7.028 1.00 0.00 H new ATOM 0 HD21 ASN A 28 13.932 1.654 9.662 1.00 0.00 H new ATOM 0 HD22 ASN A 28 13.135 1.856 8.098 1.00 0.00 H new ATOM 437 N ASP A 29 15.021 -2.292 5.195 1.00 0.00 N ATOM 438 CA ASP A 29 15.019 -3.398 4.253 1.00 0.00 C ATOM 439 C ASP A 29 13.597 -3.947 4.120 1.00 0.00 C ATOM 440 O ASP A 29 13.313 -4.735 3.218 1.00 0.00 O ATOM 441 CB ASP A 29 15.921 -4.535 4.738 1.00 0.00 C ATOM 442 CG ASP A 29 17.253 -4.664 3.996 1.00 0.00 C ATOM 443 OD1 ASP A 29 17.305 -5.147 2.855 1.00 0.00 O ATOM 444 OD2 ASP A 29 18.283 -4.240 4.647 1.00 0.00 O ATOM 0 H ASP A 29 15.465 -2.495 6.091 1.00 0.00 H new ATOM 0 HA ASP A 29 15.388 -3.027 3.297 1.00 0.00 H new ATOM 0 HB2 ASP A 29 16.126 -4.389 5.799 1.00 0.00 H new ATOM 0 HB3 ASP A 29 15.377 -5.475 4.644 1.00 0.00 H new ATOM 450 N VAL A 30 12.740 -3.509 5.031 1.00 0.00 N ATOM 451 CA VAL A 30 11.355 -3.947 5.027 1.00 0.00 C ATOM 452 C VAL A 30 10.779 -3.788 3.620 1.00 0.00 C ATOM 453 O VAL A 30 10.405 -2.686 3.218 1.00 0.00 O ATOM 454 CB VAL A 30 10.561 -3.182 6.088 1.00 0.00 C ATOM 455 CG1 VAL A 30 10.792 -3.776 7.479 1.00 0.00 C ATOM 456 CG2 VAL A 30 10.909 -1.692 6.063 1.00 0.00 C ATOM 0 H VAL A 30 12.978 -2.855 5.777 1.00 0.00 H new ATOM 0 HA VAL A 30 11.288 -5.003 5.289 1.00 0.00 H new ATOM 0 HB VAL A 30 9.502 -3.283 5.853 1.00 0.00 H new ATOM 0 HG11 VAL A 30 10.216 -3.214 8.215 1.00 0.00 H new ATOM 0 HG12 VAL A 30 10.473 -4.818 7.487 1.00 0.00 H new ATOM 0 HG13 VAL A 30 11.852 -3.719 7.727 1.00 0.00 H new ATOM 0 HG21 VAL A 30 10.331 -1.171 6.826 1.00 0.00 H new ATOM 0 HG22 VAL A 30 11.973 -1.563 6.262 1.00 0.00 H new ATOM 0 HG23 VAL A 30 10.671 -1.279 5.083 1.00 0.00 H new ATOM 466 N VAL A 31 10.724 -4.905 2.906 1.00 0.00 N ATOM 467 CA VAL A 31 10.199 -4.903 1.551 1.00 0.00 C ATOM 468 C VAL A 31 9.664 -6.296 1.215 1.00 0.00 C ATOM 469 O VAL A 31 10.349 -7.089 0.571 1.00 0.00 O ATOM 470 CB VAL A 31 11.273 -4.422 0.575 1.00 0.00 C ATOM 471 CG1 VAL A 31 11.671 -2.975 0.866 1.00 0.00 C ATOM 472 CG2 VAL A 31 12.495 -5.344 0.606 1.00 0.00 C ATOM 0 H VAL A 31 11.035 -5.817 3.241 1.00 0.00 H new ATOM 0 HA VAL A 31 9.366 -4.206 1.464 1.00 0.00 H new ATOM 0 HB VAL A 31 10.852 -4.457 -0.430 1.00 0.00 H new ATOM 0 HG11 VAL A 31 12.436 -2.659 0.157 1.00 0.00 H new ATOM 0 HG12 VAL A 31 10.797 -2.331 0.768 1.00 0.00 H new ATOM 0 HG13 VAL A 31 12.064 -2.903 1.880 1.00 0.00 H new ATOM 0 HG21 VAL A 31 13.244 -4.979 -0.097 1.00 0.00 H new ATOM 0 HG22 VAL A 31 12.916 -5.356 1.611 1.00 0.00 H new ATOM 0 HG23 VAL A 31 12.196 -6.354 0.326 1.00 0.00 H new ATOM 482 N THR A 32 8.444 -6.552 1.667 1.00 0.00 N ATOM 483 CA THR A 32 7.810 -7.836 1.421 1.00 0.00 C ATOM 484 C THR A 32 6.623 -7.671 0.469 1.00 0.00 C ATOM 485 O THR A 32 5.540 -7.266 0.887 1.00 0.00 O ATOM 486 CB THR A 32 7.426 -8.439 2.773 1.00 0.00 C ATOM 487 OG1 THR A 32 6.308 -7.662 3.194 1.00 0.00 O ATOM 488 CG2 THR A 32 8.483 -8.186 3.850 1.00 0.00 C ATOM 0 H THR A 32 7.879 -5.892 2.202 1.00 0.00 H new ATOM 0 HA THR A 32 8.492 -8.526 0.923 1.00 0.00 H new ATOM 0 HB THR A 32 7.273 -9.512 2.661 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.804 -8.156 3.874 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.160 -8.635 4.789 1.00 0.00 H new ATOM 0 HG22 THR A 32 9.430 -8.630 3.542 1.00 0.00 H new ATOM 0 HG23 THR A 32 8.613 -7.113 3.987 1.00 0.00 H new ATOM 496 N LEU A 33 6.869 -7.994 -0.792 1.00 0.00 N ATOM 497 CA LEU A 33 5.834 -7.888 -1.806 1.00 0.00 C ATOM 498 C LEU A 33 5.280 -9.280 -2.111 1.00 0.00 C ATOM 499 O LEU A 33 5.882 -10.288 -1.741 1.00 0.00 O ATOM 500 CB LEU A 33 6.366 -7.155 -3.039 1.00 0.00 C ATOM 501 CG LEU A 33 7.880 -7.206 -3.250 1.00 0.00 C ATOM 502 CD1 LEU A 33 8.369 -8.651 -3.367 1.00 0.00 C ATOM 503 CD2 LEU A 33 8.296 -6.361 -4.455 1.00 0.00 C ATOM 0 H LEU A 33 7.769 -8.329 -1.134 1.00 0.00 H new ATOM 0 HA LEU A 33 5.002 -7.287 -1.439 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.882 -7.573 -3.922 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.063 -6.110 -2.974 1.00 0.00 H new ATOM 0 HG LEU A 33 8.361 -6.773 -2.373 1.00 0.00 H new ATOM 0 HD11 LEU A 33 9.449 -8.659 -3.517 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.125 -9.193 -2.453 1.00 0.00 H new ATOM 0 HD13 LEU A 33 7.882 -9.132 -4.215 1.00 0.00 H new ATOM 0 HD21 LEU A 33 9.377 -6.415 -4.582 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.806 -6.740 -5.352 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.002 -5.324 -4.291 1.00 0.00 H new ATOM 515 N HIS A 34 4.138 -9.294 -2.783 1.00 0.00 N ATOM 516 CA HIS A 34 3.495 -10.549 -3.142 1.00 0.00 C ATOM 517 C HIS A 34 4.446 -11.386 -4.000 1.00 0.00 C ATOM 518 O HIS A 34 4.244 -12.587 -4.162 1.00 0.00 O ATOM 519 CB HIS A 34 2.150 -10.293 -3.822 1.00 0.00 C ATOM 520 CG HIS A 34 2.230 -10.197 -5.327 1.00 0.00 C ATOM 521 ND1 HIS A 34 3.334 -9.685 -5.987 1.00 0.00 N ATOM 522 CD2 HIS A 34 1.336 -10.552 -6.293 1.00 0.00 C ATOM 523 CE1 HIS A 34 3.104 -9.734 -7.290 1.00 0.00 C ATOM 524 NE2 HIS A 34 1.864 -10.271 -7.478 1.00 0.00 N ATOM 0 H HIS A 34 3.641 -8.457 -3.089 1.00 0.00 H new ATOM 0 HA HIS A 34 3.277 -11.122 -2.241 1.00 0.00 H new ATOM 0 HB2 HIS A 34 1.462 -11.095 -3.556 1.00 0.00 H new ATOM 0 HB3 HIS A 34 1.727 -9.367 -3.431 1.00 0.00 H new ATOM 0 HD2 HIS A 34 0.363 -10.988 -6.123 1.00 0.00 H new ATOM 0 HE1 HIS A 34 3.779 -9.407 -8.067 1.00 0.00 H new ATOM 0 HE2 HIS A 34 1.416 -10.430 -8.381 1.00 0.00 H new ATOM 533 N ASP A 35 5.459 -10.716 -4.527 1.00 0.00 N ATOM 534 CA ASP A 35 6.441 -11.382 -5.366 1.00 0.00 C ATOM 535 C ASP A 35 6.748 -12.765 -4.785 1.00 0.00 C ATOM 536 O ASP A 35 7.060 -13.697 -5.523 1.00 0.00 O ATOM 537 CB ASP A 35 7.749 -10.591 -5.419 1.00 0.00 C ATOM 538 CG ASP A 35 8.650 -10.911 -6.614 1.00 0.00 C ATOM 539 OD1 ASP A 35 8.180 -11.381 -7.661 1.00 0.00 O ATOM 540 OD2 ASP A 35 9.902 -10.654 -6.436 1.00 0.00 O ATOM 0 H ASP A 35 5.622 -9.718 -4.390 1.00 0.00 H new ATOM 0 HA ASP A 35 6.027 -11.461 -6.371 1.00 0.00 H new ATOM 0 HB2 ASP A 35 7.512 -9.527 -5.436 1.00 0.00 H new ATOM 0 HB3 ASP A 35 8.307 -10.779 -4.502 1.00 0.00 H new ATOM 546 N VAL A 36 6.647 -12.851 -3.466 1.00 0.00 N ATOM 547 CA VAL A 36 6.909 -14.104 -2.776 1.00 0.00 C ATOM 548 C VAL A 36 5.660 -14.986 -2.839 1.00 0.00 C ATOM 549 O VAL A 36 5.182 -15.463 -1.811 1.00 0.00 O ATOM 550 CB VAL A 36 7.375 -13.826 -1.346 1.00 0.00 C ATOM 551 CG1 VAL A 36 7.625 -15.131 -0.588 1.00 0.00 C ATOM 552 CG2 VAL A 36 8.622 -12.939 -1.337 1.00 0.00 C ATOM 0 H VAL A 36 6.388 -12.075 -2.857 1.00 0.00 H new ATOM 0 HA VAL A 36 7.716 -14.649 -3.265 1.00 0.00 H new ATOM 0 HB VAL A 36 6.578 -13.287 -0.833 1.00 0.00 H new ATOM 0 HG11 VAL A 36 7.955 -14.905 0.426 1.00 0.00 H new ATOM 0 HG12 VAL A 36 6.703 -15.711 -0.549 1.00 0.00 H new ATOM 0 HG13 VAL A 36 8.395 -15.708 -1.101 1.00 0.00 H new ATOM 0 HG21 VAL A 36 8.932 -12.757 -0.308 1.00 0.00 H new ATOM 0 HG22 VAL A 36 9.428 -13.438 -1.876 1.00 0.00 H new ATOM 0 HG23 VAL A 36 8.396 -11.989 -1.821 1.00 0.00 H new ATOM 562 N SER A 37 5.169 -15.176 -4.054 1.00 0.00 N ATOM 563 CA SER A 37 3.986 -15.994 -4.263 1.00 0.00 C ATOM 564 C SER A 37 4.283 -17.450 -3.899 1.00 0.00 C ATOM 565 O SER A 37 3.374 -18.273 -3.827 1.00 0.00 O ATOM 566 CB SER A 37 3.499 -15.896 -5.711 1.00 0.00 C ATOM 567 OG SER A 37 2.213 -16.488 -5.882 1.00 0.00 O ATOM 0 H SER A 37 5.568 -14.778 -4.904 1.00 0.00 H new ATOM 0 HA SER A 37 3.193 -15.621 -3.615 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.459 -14.849 -6.010 1.00 0.00 H new ATOM 0 HB3 SER A 37 4.215 -16.388 -6.369 1.00 0.00 H new ATOM 0 HG SER A 37 2.123 -17.255 -5.279 1.00 0.00 H new ATOM 573 N GLN A 38 5.562 -17.721 -3.681 1.00 0.00 N ATOM 574 CA GLN A 38 5.991 -19.063 -3.326 1.00 0.00 C ATOM 575 C GLN A 38 5.545 -19.405 -1.903 1.00 0.00 C ATOM 576 O GLN A 38 5.720 -20.534 -1.448 1.00 0.00 O ATOM 577 CB GLN A 38 7.507 -19.213 -3.476 1.00 0.00 C ATOM 578 CG GLN A 38 7.893 -20.674 -3.711 1.00 0.00 C ATOM 579 CD GLN A 38 9.218 -21.007 -3.023 1.00 0.00 C ATOM 580 OE1 GLN A 38 10.145 -21.527 -3.622 1.00 0.00 O ATOM 581 NE2 GLN A 38 9.256 -20.680 -1.735 1.00 0.00 N ATOM 0 H GLN A 38 6.314 -17.035 -3.743 1.00 0.00 H new ATOM 0 HA GLN A 38 5.520 -19.766 -4.013 1.00 0.00 H new ATOM 0 HB2 GLN A 38 7.856 -18.603 -4.309 1.00 0.00 H new ATOM 0 HB3 GLN A 38 8.003 -18.842 -2.579 1.00 0.00 H new ATOM 0 HG2 GLN A 38 7.107 -21.327 -3.331 1.00 0.00 H new ATOM 0 HG3 GLN A 38 7.976 -20.865 -4.781 1.00 0.00 H new ATOM 0 HE21 GLN A 38 8.444 -20.247 -1.295 1.00 0.00 H new ATOM 0 HE22 GLN A 38 10.097 -20.862 -1.187 1.00 0.00 H new ATOM 590 N ALA A 39 4.976 -18.409 -1.240 1.00 0.00 N ATOM 591 CA ALA A 39 4.503 -18.591 0.121 1.00 0.00 C ATOM 592 C ALA A 39 3.049 -18.125 0.219 1.00 0.00 C ATOM 593 O ALA A 39 2.695 -17.068 -0.300 1.00 0.00 O ATOM 594 CB ALA A 39 5.421 -17.835 1.085 1.00 0.00 C ATOM 0 H ALA A 39 4.832 -17.474 -1.620 1.00 0.00 H new ATOM 0 HA ALA A 39 4.531 -19.645 0.399 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.067 -17.971 2.107 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.437 -18.221 0.999 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.414 -16.774 0.837 1.00 0.00 H new ATOM 600 N GLU A 40 2.243 -18.939 0.885 1.00 0.00 N ATOM 601 CA GLU A 40 0.835 -18.626 1.056 1.00 0.00 C ATOM 602 C GLU A 40 0.673 -17.238 1.679 1.00 0.00 C ATOM 603 O GLU A 40 1.647 -16.502 1.828 1.00 0.00 O ATOM 604 CB GLU A 40 0.134 -19.693 1.900 1.00 0.00 C ATOM 605 CG GLU A 40 -0.692 -20.632 1.019 1.00 0.00 C ATOM 606 CD GLU A 40 -0.333 -22.095 1.292 1.00 0.00 C ATOM 607 OE1 GLU A 40 0.001 -22.449 2.431 1.00 0.00 O ATOM 608 OE2 GLU A 40 -0.411 -22.875 0.266 1.00 0.00 O ATOM 0 H GLU A 40 2.539 -19.816 1.313 1.00 0.00 H new ATOM 0 HA GLU A 40 0.362 -18.620 0.074 1.00 0.00 H new ATOM 0 HB2 GLU A 40 0.875 -20.268 2.455 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.513 -19.214 2.634 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -1.754 -20.473 1.207 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.516 -20.400 -0.031 1.00 0.00 H new ATOM 616 N VAL A 41 -0.566 -16.923 2.027 1.00 0.00 N ATOM 617 CA VAL A 41 -0.869 -15.636 2.630 1.00 0.00 C ATOM 618 C VAL A 41 -0.187 -15.545 3.997 1.00 0.00 C ATOM 619 O VAL A 41 -0.122 -14.470 4.590 1.00 0.00 O ATOM 620 CB VAL A 41 -2.384 -15.437 2.705 1.00 0.00 C ATOM 621 CG1 VAL A 41 -3.030 -15.619 1.329 1.00 0.00 C ATOM 622 CG2 VAL A 41 -3.011 -16.381 3.734 1.00 0.00 C ATOM 0 H VAL A 41 -1.371 -17.536 1.903 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.477 -14.825 2.016 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.572 -14.414 3.031 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.107 -15.472 1.410 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.616 -14.889 0.633 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.828 -16.625 0.962 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.088 -16.219 3.767 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.808 -17.414 3.451 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.584 -16.183 4.717 1.00 0.00 H new ATOM 632 N THR A 42 0.306 -16.686 4.454 1.00 0.00 N ATOM 633 CA THR A 42 0.980 -16.749 5.738 1.00 0.00 C ATOM 634 C THR A 42 2.116 -15.725 5.794 1.00 0.00 C ATOM 635 O THR A 42 2.472 -15.245 6.870 1.00 0.00 O ATOM 636 CB THR A 42 1.450 -18.189 5.956 1.00 0.00 C ATOM 637 OG1 THR A 42 2.166 -18.139 7.188 1.00 0.00 O ATOM 638 CG2 THR A 42 2.500 -18.624 4.932 1.00 0.00 C ATOM 0 H THR A 42 0.252 -17.575 3.957 1.00 0.00 H new ATOM 0 HA THR A 42 0.305 -16.485 6.552 1.00 0.00 H new ATOM 0 HB THR A 42 0.593 -18.861 5.905 1.00 0.00 H new ATOM 0 HG1 THR A 42 2.505 -19.032 7.406 1.00 0.00 H new ATOM 0 HG21 THR A 42 2.799 -19.653 5.132 1.00 0.00 H new ATOM 0 HG22 THR A 42 2.079 -18.557 3.929 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.371 -17.973 5.005 1.00 0.00 H new ATOM 646 N ASP A 43 2.654 -15.421 4.622 1.00 0.00 N ATOM 647 CA ASP A 43 3.742 -14.463 4.526 1.00 0.00 C ATOM 648 C ASP A 43 3.253 -13.093 5.002 1.00 0.00 C ATOM 649 O ASP A 43 3.868 -12.480 5.873 1.00 0.00 O ATOM 650 CB ASP A 43 4.218 -14.317 3.078 1.00 0.00 C ATOM 651 CG ASP A 43 5.575 -14.956 2.777 1.00 0.00 C ATOM 652 OD1 ASP A 43 6.458 -14.327 2.177 1.00 0.00 O ATOM 653 OD2 ASP A 43 5.710 -16.171 3.193 1.00 0.00 O ATOM 0 H ASP A 43 2.357 -15.821 3.732 1.00 0.00 H new ATOM 0 HA ASP A 43 4.565 -14.823 5.144 1.00 0.00 H new ATOM 0 HB2 ASP A 43 3.471 -14.759 2.419 1.00 0.00 H new ATOM 0 HB3 ASP A 43 4.270 -13.256 2.834 1.00 0.00 H new ATOM 659 N LEU A 44 2.153 -12.653 4.409 1.00 0.00 N ATOM 660 CA LEU A 44 1.575 -11.367 4.762 1.00 0.00 C ATOM 661 C LEU A 44 0.908 -11.473 6.135 1.00 0.00 C ATOM 662 O LEU A 44 0.722 -10.466 6.817 1.00 0.00 O ATOM 663 CB LEU A 44 0.635 -10.881 3.657 1.00 0.00 C ATOM 664 CG LEU A 44 -0.514 -11.823 3.291 1.00 0.00 C ATOM 665 CD1 LEU A 44 -1.562 -11.868 4.404 1.00 0.00 C ATOM 666 CD2 LEU A 44 -1.126 -11.442 1.942 1.00 0.00 C ATOM 0 H LEU A 44 1.646 -13.164 3.686 1.00 0.00 H new ATOM 0 HA LEU A 44 2.353 -10.608 4.843 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.211 -9.925 3.963 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.226 -10.695 2.760 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.111 -12.830 3.189 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.367 -12.545 4.118 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.100 -12.223 5.325 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.967 -10.869 4.563 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.940 -12.127 1.705 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.511 -10.424 1.992 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.363 -11.504 1.166 1.00 0.00 H new ATOM 678 N ASN A 45 0.566 -12.701 6.498 1.00 0.00 N ATOM 679 CA ASN A 45 -0.079 -12.949 7.777 1.00 0.00 C ATOM 680 C ASN A 45 0.927 -12.708 8.905 1.00 0.00 C ATOM 681 O ASN A 45 0.548 -12.304 10.004 1.00 0.00 O ATOM 682 CB ASN A 45 -0.563 -14.398 7.877 1.00 0.00 C ATOM 683 CG ASN A 45 -1.440 -14.598 9.114 1.00 0.00 C ATOM 684 OD1 ASN A 45 -2.345 -13.831 9.396 1.00 0.00 O ATOM 685 ND2 ASN A 45 -1.122 -15.670 9.834 1.00 0.00 N ATOM 0 H ASN A 45 0.723 -13.534 5.930 1.00 0.00 H new ATOM 0 HA ASN A 45 -0.933 -12.276 7.861 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.126 -14.660 6.981 1.00 0.00 H new ATOM 0 HB3 ASN A 45 0.294 -15.069 7.922 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.648 -15.891 10.679 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -0.352 -16.271 9.541 1.00 0.00 H new ATOM 692 N ASP A 46 2.188 -12.967 8.596 1.00 0.00 N ATOM 693 CA ASP A 46 3.251 -12.785 9.569 1.00 0.00 C ATOM 694 C ASP A 46 3.439 -11.289 9.838 1.00 0.00 C ATOM 695 O ASP A 46 3.674 -10.885 10.975 1.00 0.00 O ATOM 696 CB ASP A 46 4.578 -13.341 9.050 1.00 0.00 C ATOM 697 CG ASP A 46 4.717 -14.863 9.133 1.00 0.00 C ATOM 698 OD1 ASP A 46 4.009 -15.527 9.904 1.00 0.00 O ATOM 699 OD2 ASP A 46 5.611 -15.371 8.354 1.00 0.00 O ATOM 0 H ASP A 46 2.498 -13.302 7.684 1.00 0.00 H new ATOM 0 HA ASP A 46 2.969 -13.317 10.478 1.00 0.00 H new ATOM 0 HB2 ASP A 46 4.701 -13.036 8.011 1.00 0.00 H new ATOM 0 HB3 ASP A 46 5.391 -12.885 9.615 1.00 0.00 H new ATOM 705 N TYR A 47 3.329 -10.511 8.772 1.00 0.00 N ATOM 706 CA TYR A 47 3.484 -9.070 8.879 1.00 0.00 C ATOM 707 C TYR A 47 2.122 -8.372 8.905 1.00 0.00 C ATOM 708 O TYR A 47 1.334 -8.508 7.970 1.00 0.00 O ATOM 709 CB TYR A 47 4.243 -8.634 7.625 1.00 0.00 C ATOM 710 CG TYR A 47 4.998 -9.766 6.929 1.00 0.00 C ATOM 711 CD1 TYR A 47 5.727 -10.671 7.675 1.00 0.00 C ATOM 712 CD2 TYR A 47 4.951 -9.886 5.554 1.00 0.00 C ATOM 713 CE1 TYR A 47 6.438 -11.739 7.020 1.00 0.00 C ATOM 714 CE2 TYR A 47 5.661 -10.953 4.899 1.00 0.00 C ATOM 715 CZ TYR A 47 6.370 -11.826 5.663 1.00 0.00 C ATOM 716 OH TYR A 47 7.041 -12.835 5.044 1.00 0.00 O ATOM 0 H TYR A 47 3.134 -10.851 7.830 1.00 0.00 H new ATOM 0 HA TYR A 47 4.008 -8.807 9.798 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.537 -8.195 6.920 1.00 0.00 H new ATOM 0 HB3 TYR A 47 4.952 -7.851 7.896 1.00 0.00 H new ATOM 0 HD1 TYR A 47 5.764 -10.578 8.750 1.00 0.00 H new ATOM 0 HD2 TYR A 47 4.381 -9.179 4.970 1.00 0.00 H new ATOM 0 HE1 TYR A 47 7.011 -12.454 7.592 1.00 0.00 H new ATOM 0 HE2 TYR A 47 5.631 -11.058 3.825 1.00 0.00 H new ATOM 0 HH TYR A 47 6.902 -12.774 4.076 1.00 0.00 H new ATOM 726 N GLN A 48 1.887 -7.643 9.984 1.00 0.00 N ATOM 727 CA GLN A 48 0.634 -6.924 10.143 1.00 0.00 C ATOM 728 C GLN A 48 0.739 -5.530 9.520 1.00 0.00 C ATOM 729 O GLN A 48 0.190 -4.566 10.050 1.00 0.00 O ATOM 730 CB GLN A 48 0.236 -6.835 11.619 1.00 0.00 C ATOM 731 CG GLN A 48 -0.383 -8.149 12.099 1.00 0.00 C ATOM 732 CD GLN A 48 0.303 -8.643 13.374 1.00 0.00 C ATOM 733 OE1 GLN A 48 -0.315 -8.822 14.413 1.00 0.00 O ATOM 734 NE2 GLN A 48 1.609 -8.853 13.241 1.00 0.00 N ATOM 0 H GLN A 48 2.543 -7.534 10.758 1.00 0.00 H new ATOM 0 HA GLN A 48 -0.148 -7.477 9.622 1.00 0.00 H new ATOM 0 HB2 GLN A 48 1.113 -6.600 12.222 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -0.475 -6.021 11.759 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -1.447 -8.007 12.286 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -0.294 -8.904 11.318 1.00 0.00 H new ATOM 0 HE21 GLN A 48 2.064 -8.684 12.344 1.00 0.00 H new ATOM 0 HE22 GLN A 48 2.156 -9.184 14.036 1.00 0.00 H new ATOM 743 N TYR A 49 1.449 -5.469 8.403 1.00 0.00 N ATOM 744 CA TYR A 49 1.632 -4.210 7.700 1.00 0.00 C ATOM 745 C TYR A 49 1.903 -4.447 6.214 1.00 0.00 C ATOM 746 O TYR A 49 2.962 -4.955 5.846 1.00 0.00 O ATOM 747 CB TYR A 49 2.858 -3.549 8.332 1.00 0.00 C ATOM 748 CG TYR A 49 3.242 -4.124 9.696 1.00 0.00 C ATOM 749 CD1 TYR A 49 4.011 -5.268 9.771 1.00 0.00 C ATOM 750 CD2 TYR A 49 2.820 -3.501 10.852 1.00 0.00 C ATOM 751 CE1 TYR A 49 4.373 -5.811 11.056 1.00 0.00 C ATOM 752 CE2 TYR A 49 3.183 -4.043 12.136 1.00 0.00 C ATOM 753 CZ TYR A 49 3.940 -5.172 12.174 1.00 0.00 C ATOM 754 OH TYR A 49 4.282 -5.683 13.387 1.00 0.00 O ATOM 0 H TYR A 49 1.904 -6.271 7.967 1.00 0.00 H new ATOM 0 HA TYR A 49 0.737 -3.592 7.779 1.00 0.00 H new ATOM 0 HB2 TYR A 49 3.705 -3.654 7.654 1.00 0.00 H new ATOM 0 HB3 TYR A 49 2.667 -2.481 8.440 1.00 0.00 H new ATOM 0 HD1 TYR A 49 4.342 -5.756 8.866 1.00 0.00 H new ATOM 0 HD2 TYR A 49 2.217 -2.607 10.794 1.00 0.00 H new ATOM 0 HE1 TYR A 49 4.974 -6.705 11.128 1.00 0.00 H new ATOM 0 HE2 TYR A 49 2.861 -3.563 13.049 1.00 0.00 H new ATOM 0 HH TYR A 49 3.904 -5.122 14.096 1.00 0.00 H new ATOM 764 N LEU A 50 0.930 -4.067 5.398 1.00 0.00 N ATOM 765 CA LEU A 50 1.051 -4.231 3.960 1.00 0.00 C ATOM 766 C LEU A 50 0.376 -3.050 3.258 1.00 0.00 C ATOM 767 O LEU A 50 -0.387 -2.310 3.877 1.00 0.00 O ATOM 768 CB LEU A 50 0.510 -5.595 3.529 1.00 0.00 C ATOM 769 CG LEU A 50 1.242 -6.815 4.089 1.00 0.00 C ATOM 770 CD1 LEU A 50 0.324 -7.637 4.998 1.00 0.00 C ATOM 771 CD2 LEU A 50 1.840 -7.662 2.964 1.00 0.00 C ATOM 0 H LEU A 50 0.054 -3.646 5.707 1.00 0.00 H new ATOM 0 HA LEU A 50 2.099 -4.222 3.662 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.537 -5.658 3.824 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.538 -5.647 2.441 1.00 0.00 H new ATOM 0 HG LEU A 50 2.071 -6.462 4.702 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.870 -8.499 5.383 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.012 -7.019 5.831 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.540 -7.979 4.429 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.355 -8.523 3.391 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.043 -8.006 2.305 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.549 -7.062 2.394 1.00 0.00 H new ATOM 783 N ILE A 51 0.681 -2.914 1.976 1.00 0.00 N ATOM 784 CA ILE A 51 0.111 -1.838 1.183 1.00 0.00 C ATOM 785 C ILE A 51 -0.661 -2.432 0.003 1.00 0.00 C ATOM 786 O ILE A 51 -0.362 -3.540 -0.444 1.00 0.00 O ATOM 787 CB ILE A 51 1.199 -0.845 0.767 1.00 0.00 C ATOM 788 CG1 ILE A 51 2.135 -0.536 1.939 1.00 0.00 C ATOM 789 CG2 ILE A 51 0.585 0.424 0.173 1.00 0.00 C ATOM 790 CD1 ILE A 51 3.543 -1.069 1.671 1.00 0.00 C ATOM 0 H ILE A 51 1.315 -3.530 1.467 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.603 -1.266 1.776 1.00 0.00 H new ATOM 0 HB ILE A 51 1.803 -1.306 -0.015 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.175 0.541 2.103 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.741 -0.983 2.852 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.380 1.113 -0.114 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -0.006 0.165 -0.705 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.057 0.899 0.915 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.188 -0.836 2.519 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.503 -2.149 1.532 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.944 -0.602 0.771 1.00 0.00 H new ATOM 802 N ILE A 52 -1.637 -1.672 -0.468 1.00 0.00 N ATOM 803 CA ILE A 52 -2.454 -2.109 -1.586 1.00 0.00 C ATOM 804 C ILE A 52 -2.766 -0.910 -2.484 1.00 0.00 C ATOM 805 O ILE A 52 -2.229 0.177 -2.284 1.00 0.00 O ATOM 806 CB ILE A 52 -3.701 -2.843 -1.085 1.00 0.00 C ATOM 807 CG1 ILE A 52 -4.498 -1.969 -0.114 1.00 0.00 C ATOM 808 CG2 ILE A 52 -3.331 -4.194 -0.469 1.00 0.00 C ATOM 809 CD1 ILE A 52 -5.410 -1.001 -0.871 1.00 0.00 C ATOM 0 H ILE A 52 -1.881 -0.754 -0.095 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.910 -2.831 -2.195 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.346 -3.045 -1.940 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.097 -2.601 0.542 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -3.813 -1.408 0.522 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.234 -4.695 -0.121 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.839 -4.813 -1.219 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.656 -4.038 0.372 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -5.965 -0.391 -0.158 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.806 -0.355 -1.508 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.109 -1.566 -1.487 1.00 0.00 H new ATOM 1105 N GLU A 72 -4.594 -13.246 -1.084 1.00 0.00 N ATOM 1106 CA GLU A 72 -4.848 -11.855 -0.756 1.00 0.00 C ATOM 1107 C GLU A 72 -5.144 -11.706 0.738 1.00 0.00 C ATOM 1108 O GLU A 72 -5.838 -12.537 1.322 1.00 0.00 O ATOM 1109 CB GLU A 72 -5.996 -11.294 -1.599 1.00 0.00 C ATOM 1110 CG GLU A 72 -5.858 -9.780 -1.775 1.00 0.00 C ATOM 1111 CD GLU A 72 -6.129 -9.370 -3.225 1.00 0.00 C ATOM 1112 OE1 GLU A 72 -5.193 -9.008 -3.953 1.00 0.00 O ATOM 1113 OE2 GLU A 72 -7.366 -9.439 -3.588 1.00 0.00 O ATOM 0 HA GLU A 72 -3.952 -11.279 -0.989 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.005 -11.778 -2.576 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -6.949 -11.523 -1.121 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -6.555 -9.268 -1.112 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.855 -9.466 -1.486 1.00 0.00 H new ATOM 1121 N LEU A 73 -4.602 -10.644 1.313 1.00 0.00 N ATOM 1122 CA LEU A 73 -4.797 -10.377 2.728 1.00 0.00 C ATOM 1123 C LEU A 73 -6.296 -10.337 3.031 1.00 0.00 C ATOM 1124 O LEU A 73 -6.712 -10.605 4.158 1.00 0.00 O ATOM 1125 CB LEU A 73 -4.052 -9.106 3.142 1.00 0.00 C ATOM 1126 CG LEU A 73 -4.651 -7.787 2.650 1.00 0.00 C ATOM 1127 CD1 LEU A 73 -4.665 -7.727 1.122 1.00 0.00 C ATOM 1128 CD2 LEU A 73 -6.041 -7.560 3.246 1.00 0.00 C ATOM 0 H LEU A 73 -4.027 -9.957 0.825 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.369 -11.179 3.330 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.002 -9.076 4.230 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.027 -9.175 2.778 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.015 -6.973 2.998 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.096 -6.779 0.799 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.645 -7.809 0.745 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.264 -8.550 0.731 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -6.444 -6.616 2.880 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.701 -8.375 2.950 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.970 -7.527 4.333 1.00 0.00 H new ATOM 1140 N ASP A 74 -7.066 -9.999 2.008 1.00 0.00 N ATOM 1141 CA ASP A 74 -8.511 -9.920 2.152 1.00 0.00 C ATOM 1142 C ASP A 74 -9.028 -11.226 2.758 1.00 0.00 C ATOM 1143 O ASP A 74 -10.114 -11.259 3.337 1.00 0.00 O ATOM 1144 CB ASP A 74 -9.189 -9.729 0.794 1.00 0.00 C ATOM 1145 CG ASP A 74 -10.693 -10.012 0.777 1.00 0.00 C ATOM 1146 OD1 ASP A 74 -11.482 -9.311 1.426 1.00 0.00 O ATOM 1147 OD2 ASP A 74 -11.049 -11.016 0.050 1.00 0.00 O ATOM 0 H ASP A 74 -6.718 -9.777 1.076 1.00 0.00 H new ATOM 0 HA ASP A 74 -8.742 -9.069 2.793 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -9.024 -8.704 0.463 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -8.704 -10.381 0.067 1.00 0.00 H new ATOM 1153 N ASP A 75 -8.229 -12.272 2.607 1.00 0.00 N ATOM 1154 CA ASP A 75 -8.592 -13.576 3.134 1.00 0.00 C ATOM 1155 C ASP A 75 -8.194 -13.653 4.609 1.00 0.00 C ATOM 1156 O ASP A 75 -9.035 -13.911 5.469 1.00 0.00 O ATOM 1157 CB ASP A 75 -7.864 -14.694 2.386 1.00 0.00 C ATOM 1158 CG ASP A 75 -8.730 -15.902 2.025 1.00 0.00 C ATOM 1159 OD1 ASP A 75 -9.312 -15.966 0.931 1.00 0.00 O ATOM 1160 OD2 ASP A 75 -8.798 -16.817 2.932 1.00 0.00 O ATOM 0 H ASP A 75 -7.330 -12.242 2.126 1.00 0.00 H new ATOM 0 HA ASP A 75 -9.668 -13.703 3.011 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -7.442 -14.282 1.469 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -7.028 -15.035 2.997 1.00 0.00 H new ATOM 1166 N VAL A 76 -6.912 -13.428 4.855 1.00 0.00 N ATOM 1167 CA VAL A 76 -6.393 -13.467 6.212 1.00 0.00 C ATOM 1168 C VAL A 76 -7.271 -12.600 7.115 1.00 0.00 C ATOM 1169 O VAL A 76 -7.746 -11.545 6.698 1.00 0.00 O ATOM 1170 CB VAL A 76 -4.923 -13.043 6.222 1.00 0.00 C ATOM 1171 CG1 VAL A 76 -4.318 -13.195 7.619 1.00 0.00 C ATOM 1172 CG2 VAL A 76 -4.118 -13.830 5.185 1.00 0.00 C ATOM 0 H VAL A 76 -6.217 -13.218 4.138 1.00 0.00 H new ATOM 0 HA VAL A 76 -6.427 -14.483 6.605 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.876 -11.988 5.951 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.273 -12.887 7.598 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -4.867 -12.570 8.323 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.383 -14.237 7.932 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.077 -13.509 5.213 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -4.176 -14.895 5.411 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.527 -13.647 4.191 1.00 0.00 H new ATOM 1182 N ASP A 77 -7.462 -13.077 8.337 1.00 0.00 N ATOM 1183 CA ASP A 77 -8.276 -12.359 9.303 1.00 0.00 C ATOM 1184 C ASP A 77 -7.439 -11.249 9.942 1.00 0.00 C ATOM 1185 O ASP A 77 -7.340 -11.167 11.164 1.00 0.00 O ATOM 1186 CB ASP A 77 -8.757 -13.290 10.417 1.00 0.00 C ATOM 1187 CG ASP A 77 -10.140 -12.961 10.982 1.00 0.00 C ATOM 1188 OD1 ASP A 77 -11.148 -13.576 10.602 1.00 0.00 O ATOM 1189 OD2 ASP A 77 -10.161 -12.016 11.859 1.00 0.00 O ATOM 0 H ASP A 77 -7.067 -13.952 8.680 1.00 0.00 H new ATOM 0 HA ASP A 77 -9.139 -11.948 8.779 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -8.770 -14.311 10.036 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -8.033 -13.263 11.231 1.00 0.00 H new ATOM 1195 N PHE A 78 -6.857 -10.422 9.085 1.00 0.00 N ATOM 1196 CA PHE A 78 -6.031 -9.321 9.551 1.00 0.00 C ATOM 1197 C PHE A 78 -6.757 -8.508 10.625 1.00 0.00 C ATOM 1198 O PHE A 78 -7.921 -8.149 10.456 1.00 0.00 O ATOM 1199 CB PHE A 78 -5.763 -8.421 8.342 1.00 0.00 C ATOM 1200 CG PHE A 78 -4.420 -8.685 7.658 1.00 0.00 C ATOM 1201 CD1 PHE A 78 -3.935 -9.953 7.576 1.00 0.00 C ATOM 1202 CD2 PHE A 78 -3.711 -7.651 7.132 1.00 0.00 C ATOM 1203 CE1 PHE A 78 -2.688 -10.196 6.942 1.00 0.00 C ATOM 1204 CE2 PHE A 78 -2.465 -7.894 6.497 1.00 0.00 C ATOM 1205 CZ PHE A 78 -1.979 -9.162 6.415 1.00 0.00 C ATOM 0 H PHE A 78 -6.941 -10.493 8.071 1.00 0.00 H new ATOM 0 HA PHE A 78 -5.108 -9.705 9.985 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -6.563 -8.558 7.615 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -5.798 -7.380 8.662 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -4.498 -10.775 7.993 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -4.096 -6.644 7.197 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -2.302 -11.203 6.878 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -1.903 -7.072 6.079 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.031 -9.347 5.932 1.00 0.00 H new ATOM 1215 N ASN A 79 -6.039 -8.243 11.706 1.00 0.00 N ATOM 1216 CA ASN A 79 -6.599 -7.477 12.808 1.00 0.00 C ATOM 1217 C ASN A 79 -5.532 -6.529 13.358 1.00 0.00 C ATOM 1218 O ASN A 79 -4.346 -6.852 13.353 1.00 0.00 O ATOM 1219 CB ASN A 79 -7.047 -8.398 13.945 1.00 0.00 C ATOM 1220 CG ASN A 79 -8.558 -8.634 13.897 1.00 0.00 C ATOM 1221 OD1 ASN A 79 -9.294 -8.292 14.809 1.00 0.00 O ATOM 1222 ND2 ASN A 79 -8.976 -9.234 12.788 1.00 0.00 N ATOM 0 H ASN A 79 -5.074 -8.545 11.843 1.00 0.00 H new ATOM 0 HA ASN A 79 -7.459 -6.923 12.433 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -6.524 -9.352 13.873 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -6.775 -7.957 14.904 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -9.968 -9.436 12.660 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -8.305 -9.493 12.065 1.00 0.00 H new ATOM 1229 N GLY A 80 -5.993 -5.376 13.821 1.00 0.00 N ATOM 1230 CA GLY A 80 -5.095 -4.378 14.374 1.00 0.00 C ATOM 1231 C GLY A 80 -3.803 -4.291 13.558 1.00 0.00 C ATOM 1232 O GLY A 80 -2.709 -4.305 14.119 1.00 0.00 O ATOM 0 H GLY A 80 -6.978 -5.111 13.824 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.588 -3.406 14.385 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -4.860 -4.628 15.408 1.00 0.00 H new ATOM 1236 N LYS A 81 -3.974 -4.203 12.248 1.00 0.00 N ATOM 1237 CA LYS A 81 -2.835 -4.113 11.349 1.00 0.00 C ATOM 1238 C LYS A 81 -2.881 -2.776 10.607 1.00 0.00 C ATOM 1239 O LYS A 81 -3.865 -2.045 10.697 1.00 0.00 O ATOM 1240 CB LYS A 81 -2.786 -5.330 10.423 1.00 0.00 C ATOM 1241 CG LYS A 81 -4.103 -5.493 9.661 1.00 0.00 C ATOM 1242 CD LYS A 81 -4.287 -4.370 8.639 1.00 0.00 C ATOM 1243 CE LYS A 81 -5.409 -3.420 9.063 1.00 0.00 C ATOM 1244 NZ LYS A 81 -5.147 -2.053 8.561 1.00 0.00 N ATOM 0 H LYS A 81 -4.884 -4.192 11.787 1.00 0.00 H new ATOM 0 HA LYS A 81 -1.902 -4.133 11.912 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -1.964 -5.220 9.716 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -2.586 -6.228 11.007 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -4.117 -6.457 9.153 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -4.936 -5.491 10.363 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -3.356 -3.814 8.533 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -4.516 -4.796 7.662 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -6.363 -3.779 8.677 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -5.490 -3.405 10.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -6.042 -1.615 8.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -4.718 -1.482 9.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -4.497 -2.099 7.751 1.00 0.00 H new ATOM 1258 N LEU A 82 -1.805 -2.499 9.886 1.00 0.00 N ATOM 1259 CA LEU A 82 -1.709 -1.264 9.128 1.00 0.00 C ATOM 1260 C LEU A 82 -1.765 -1.583 7.632 1.00 0.00 C ATOM 1261 O LEU A 82 -1.000 -2.412 7.142 1.00 0.00 O ATOM 1262 CB LEU A 82 -0.465 -0.474 9.542 1.00 0.00 C ATOM 1263 CG LEU A 82 0.875 -1.033 9.059 1.00 0.00 C ATOM 1264 CD1 LEU A 82 1.032 -0.852 7.549 1.00 0.00 C ATOM 1265 CD2 LEU A 82 2.038 -0.413 9.835 1.00 0.00 C ATOM 0 H LEU A 82 -0.991 -3.110 9.811 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.557 -0.616 9.349 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.566 0.546 9.170 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.441 -0.416 10.630 1.00 0.00 H new ATOM 0 HG LEU A 82 0.890 -2.105 9.257 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.993 -1.258 7.232 1.00 0.00 H new ATOM 0 HD12 LEU A 82 0.228 -1.378 7.034 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.987 0.209 7.303 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.979 -0.827 9.473 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.037 0.667 9.690 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.928 -0.637 10.896 1.00 0.00 H new ATOM 1277 N VAL A 83 -2.678 -0.909 6.949 1.00 0.00 N ATOM 1278 CA VAL A 83 -2.844 -1.111 5.519 1.00 0.00 C ATOM 1279 C VAL A 83 -2.787 0.241 4.807 1.00 0.00 C ATOM 1280 O VAL A 83 -3.588 1.131 5.090 1.00 0.00 O ATOM 1281 CB VAL A 83 -4.141 -1.876 5.246 1.00 0.00 C ATOM 1282 CG1 VAL A 83 -4.661 -1.587 3.837 1.00 0.00 C ATOM 1283 CG2 VAL A 83 -3.948 -3.378 5.464 1.00 0.00 C ATOM 0 H VAL A 83 -3.311 -0.222 7.359 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.032 -1.721 5.123 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.891 -1.529 5.957 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -5.583 -2.143 3.668 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -4.856 -0.520 3.733 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.914 -1.892 3.104 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.885 -3.898 5.263 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.176 -3.747 4.789 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.646 -3.560 6.495 1.00 0.00 H new ATOM 1293 N ALA A 84 -1.830 0.355 3.897 1.00 0.00 N ATOM 1294 CA ALA A 84 -1.656 1.585 3.143 1.00 0.00 C ATOM 1295 C ALA A 84 -2.247 1.407 1.743 1.00 0.00 C ATOM 1296 O ALA A 84 -2.479 0.283 1.301 1.00 0.00 O ATOM 1297 CB ALA A 84 -0.173 1.957 3.105 1.00 0.00 C ATOM 0 H ALA A 84 -1.167 -0.385 3.665 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.186 2.407 3.624 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -0.044 2.880 2.539 1.00 0.00 H new ATOM 0 HB2 ALA A 84 0.192 2.101 4.122 1.00 0.00 H new ATOM 0 HB3 ALA A 84 0.391 1.156 2.627 1.00 0.00 H new ATOM 1303 N TYR A 85 -2.476 2.534 1.084 1.00 0.00 N ATOM 1304 CA TYR A 85 -3.037 2.516 -0.256 1.00 0.00 C ATOM 1305 C TYR A 85 -2.336 3.536 -1.156 1.00 0.00 C ATOM 1306 O TYR A 85 -2.172 4.695 -0.777 1.00 0.00 O ATOM 1307 CB TYR A 85 -4.507 2.913 -0.104 1.00 0.00 C ATOM 1308 CG TYR A 85 -5.373 2.568 -1.318 1.00 0.00 C ATOM 1309 CD1 TYR A 85 -5.052 3.076 -2.560 1.00 0.00 C ATOM 1310 CD2 TYR A 85 -6.474 1.750 -1.169 1.00 0.00 C ATOM 1311 CE1 TYR A 85 -5.868 2.752 -3.702 1.00 0.00 C ATOM 1312 CE2 TYR A 85 -7.289 1.425 -2.310 1.00 0.00 C ATOM 1313 CZ TYR A 85 -6.946 1.941 -3.521 1.00 0.00 C ATOM 1314 OH TYR A 85 -7.716 1.635 -4.599 1.00 0.00 O ATOM 0 H TYR A 85 -2.283 3.465 1.453 1.00 0.00 H new ATOM 0 HA TYR A 85 -2.915 1.533 -0.710 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -4.918 2.417 0.775 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -4.566 3.986 0.079 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -4.190 3.716 -2.676 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -6.724 1.353 -0.196 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -5.630 3.144 -4.680 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -8.153 0.786 -2.207 1.00 0.00 H new ATOM 0 HH TYR A 85 -8.449 1.047 -4.321 1.00 0.00 H new ATOM 1324 N PHE A 86 -1.943 3.069 -2.332 1.00 0.00 N ATOM 1325 CA PHE A 86 -1.265 3.926 -3.290 1.00 0.00 C ATOM 1326 C PHE A 86 -2.231 4.410 -4.373 1.00 0.00 C ATOM 1327 O PHE A 86 -2.309 3.819 -5.449 1.00 0.00 O ATOM 1328 CB PHE A 86 -0.165 3.086 -3.942 1.00 0.00 C ATOM 1329 CG PHE A 86 0.407 3.696 -5.223 1.00 0.00 C ATOM 1330 CD1 PHE A 86 0.783 5.004 -5.245 1.00 0.00 C ATOM 1331 CD2 PHE A 86 0.537 2.932 -6.341 1.00 0.00 C ATOM 1332 CE1 PHE A 86 1.312 5.569 -6.434 1.00 0.00 C ATOM 1333 CE2 PHE A 86 1.067 3.497 -7.530 1.00 0.00 C ATOM 1334 CZ PHE A 86 1.444 4.805 -7.552 1.00 0.00 C ATOM 0 H PHE A 86 -2.081 2.108 -2.643 1.00 0.00 H new ATOM 0 HA PHE A 86 -0.861 4.803 -2.784 1.00 0.00 H new ATOM 0 HB2 PHE A 86 0.644 2.947 -3.225 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -0.564 2.097 -4.169 1.00 0.00 H new ATOM 0 HD1 PHE A 86 0.679 5.611 -4.358 1.00 0.00 H new ATOM 0 HD2 PHE A 86 0.237 1.895 -6.324 1.00 0.00 H new ATOM 0 HE1 PHE A 86 1.610 6.607 -6.452 1.00 0.00 H new ATOM 0 HE2 PHE A 86 1.171 2.890 -8.417 1.00 0.00 H new ATOM 0 HZ PHE A 86 1.848 5.236 -8.456 1.00 0.00 H new ATOM 1658 N ILE A 109 -11.145 -5.374 6.032 1.00 0.00 N ATOM 1659 CA ILE A 109 -9.789 -5.262 6.543 1.00 0.00 C ATOM 1660 C ILE A 109 -9.428 -3.783 6.699 1.00 0.00 C ATOM 1661 O ILE A 109 -8.669 -3.416 7.595 1.00 0.00 O ATOM 1662 CB ILE A 109 -8.816 -6.041 5.657 1.00 0.00 C ATOM 1663 CG1 ILE A 109 -9.200 -7.521 5.591 1.00 0.00 C ATOM 1664 CG2 ILE A 109 -7.372 -5.843 6.122 1.00 0.00 C ATOM 1665 CD1 ILE A 109 -9.355 -8.110 6.994 1.00 0.00 C ATOM 0 HA ILE A 109 -9.716 -5.715 7.532 1.00 0.00 H new ATOM 0 HB ILE A 109 -8.884 -5.645 4.644 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -10.134 -7.634 5.040 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -8.437 -8.074 5.043 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -6.701 -6.408 5.475 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -7.116 -4.784 6.075 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -7.269 -6.196 7.148 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -9.628 -9.163 6.919 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -8.413 -8.017 7.534 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -10.135 -7.570 7.531 1.00 0.00 H new ATOM 1677 N SER A 110 -9.992 -2.972 5.813 1.00 0.00 N ATOM 1678 CA SER A 110 -9.738 -1.542 5.842 1.00 0.00 C ATOM 1679 C SER A 110 -9.771 -1.033 7.285 1.00 0.00 C ATOM 1680 O SER A 110 -8.726 -0.791 7.885 1.00 0.00 O ATOM 1681 CB SER A 110 -10.759 -0.786 4.990 1.00 0.00 C ATOM 1682 OG SER A 110 -10.143 -0.100 3.903 1.00 0.00 O ATOM 0 H SER A 110 -10.623 -3.279 5.072 1.00 0.00 H new ATOM 0 HA SER A 110 -8.748 -1.361 5.423 1.00 0.00 H new ATOM 0 HB2 SER A 110 -11.499 -1.487 4.604 1.00 0.00 H new ATOM 0 HB3 SER A 110 -11.293 -0.070 5.615 1.00 0.00 H new ATOM 0 HG SER A 110 -10.828 0.369 3.382 1.00 0.00 H new ATOM 1688 N GLN A 111 -10.984 -0.887 7.800 1.00 0.00 N ATOM 1689 CA GLN A 111 -11.166 -0.412 9.161 1.00 0.00 C ATOM 1690 C GLN A 111 -11.242 -1.594 10.130 1.00 0.00 C ATOM 1691 O GLN A 111 -10.637 -1.564 11.199 1.00 0.00 O ATOM 1692 CB GLN A 111 -12.411 0.469 9.272 1.00 0.00 C ATOM 1693 CG GLN A 111 -12.213 1.794 8.532 1.00 0.00 C ATOM 1694 CD GLN A 111 -11.302 2.734 9.324 1.00 0.00 C ATOM 1695 OE1 GLN A 111 -11.731 3.458 10.208 1.00 0.00 O ATOM 1696 NE2 GLN A 111 -10.023 2.680 8.961 1.00 0.00 N ATOM 0 H GLN A 111 -11.849 -1.089 7.299 1.00 0.00 H new ATOM 0 HA GLN A 111 -10.304 0.199 9.430 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -13.271 -0.057 8.859 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -12.631 0.664 10.322 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -11.780 1.605 7.550 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -13.179 2.271 8.368 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -9.731 2.051 8.213 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -9.334 3.267 9.431 1.00 0.00 H new ATOM 1705 N ARG A 112 -11.989 -2.608 9.718 1.00 0.00 N ATOM 1706 CA ARG A 112 -12.152 -3.797 10.536 1.00 0.00 C ATOM 1707 C ARG A 112 -10.793 -4.436 10.822 1.00 0.00 C ATOM 1708 O ARG A 112 -10.527 -4.865 11.943 1.00 0.00 O ATOM 1709 CB ARG A 112 -13.054 -4.822 9.844 1.00 0.00 C ATOM 1710 CG ARG A 112 -13.803 -5.674 10.870 1.00 0.00 C ATOM 1711 CD ARG A 112 -13.884 -7.134 10.416 1.00 0.00 C ATOM 1712 NE ARG A 112 -14.179 -8.008 11.573 1.00 0.00 N ATOM 1713 CZ ARG A 112 -14.320 -9.349 11.492 1.00 0.00 C ATOM 1714 NH1 ARG A 112 -14.197 -9.980 10.305 1.00 0.00 N ATOM 1715 NH2 ARG A 112 -14.584 -10.032 12.590 1.00 0.00 N ATOM 0 H ARG A 112 -12.488 -2.630 8.829 1.00 0.00 H new ATOM 0 HA ARG A 112 -12.618 -3.493 11.473 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -13.769 -4.308 9.202 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -12.453 -5.465 9.201 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -13.298 -5.617 11.834 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -14.808 -5.278 11.013 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -14.660 -7.245 9.658 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -12.943 -7.433 9.955 1.00 0.00 H new ATOM 0 HE ARG A 112 -14.282 -7.571 12.489 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -13.996 -9.444 9.461 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -14.305 -10.993 10.252 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -14.679 -9.547 13.482 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -14.694 -11.045 12.546 1.00 0.00 H new ATOM 1729 N GLY A 113 -9.966 -4.480 9.787 1.00 0.00 N ATOM 1730 CA GLY A 113 -8.639 -5.059 9.912 1.00 0.00 C ATOM 1731 C GLY A 113 -7.790 -4.272 10.914 1.00 0.00 C ATOM 1732 O GLY A 113 -6.980 -4.851 11.635 1.00 0.00 O ATOM 0 H GLY A 113 -10.190 -4.124 8.858 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -8.720 -6.097 10.235 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -8.148 -5.065 8.939 1.00 0.00 H new ATOM 1736 N GLY A 114 -8.007 -2.965 10.925 1.00 0.00 N ATOM 1737 CA GLY A 114 -7.270 -2.094 11.825 1.00 0.00 C ATOM 1738 C GLY A 114 -7.376 -0.633 11.381 1.00 0.00 C ATOM 1739 O GLY A 114 -8.424 -0.008 11.536 1.00 0.00 O ATOM 0 H GLY A 114 -8.681 -2.489 10.326 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -7.658 -2.199 12.838 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -6.223 -2.395 11.852 1.00 0.00 H new ATOM 1743 N LYS A 115 -6.275 -0.132 10.839 1.00 0.00 N ATOM 1744 CA LYS A 115 -6.230 1.243 10.373 1.00 0.00 C ATOM 1745 C LYS A 115 -5.819 1.264 8.899 1.00 0.00 C ATOM 1746 O LYS A 115 -5.036 0.425 8.458 1.00 0.00 O ATOM 1747 CB LYS A 115 -5.327 2.086 11.275 1.00 0.00 C ATOM 1748 CG LYS A 115 -6.131 2.739 12.401 1.00 0.00 C ATOM 1749 CD LYS A 115 -6.104 1.878 13.665 1.00 0.00 C ATOM 1750 CE LYS A 115 -5.351 2.584 14.794 1.00 0.00 C ATOM 1751 NZ LYS A 115 -6.288 3.001 15.861 1.00 0.00 N ATOM 0 H LYS A 115 -5.408 -0.654 10.712 1.00 0.00 H new ATOM 0 HA LYS A 115 -7.218 1.699 10.436 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -4.544 1.458 11.700 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -4.833 2.856 10.683 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -5.722 3.725 12.620 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -7.162 2.886 12.079 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -7.124 1.661 13.983 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -5.628 0.922 13.448 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -4.594 1.917 15.207 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -4.828 3.455 14.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -5.760 3.479 16.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -6.995 3.654 15.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -6.768 2.164 16.248 1.00 0.00 H new ATOM 1765 N THR A 116 -6.366 2.232 8.180 1.00 0.00 N ATOM 1766 CA THR A 116 -6.068 2.373 6.765 1.00 0.00 C ATOM 1767 C THR A 116 -5.416 3.728 6.489 1.00 0.00 C ATOM 1768 O THR A 116 -5.886 4.758 6.971 1.00 0.00 O ATOM 1769 CB THR A 116 -7.365 2.153 5.983 1.00 0.00 C ATOM 1770 OG1 THR A 116 -6.974 2.282 4.620 1.00 0.00 O ATOM 1771 CG2 THR A 116 -8.374 3.283 6.192 1.00 0.00 C ATOM 0 H THR A 116 -7.014 2.927 8.551 1.00 0.00 H new ATOM 0 HA THR A 116 -5.344 1.627 6.438 1.00 0.00 H new ATOM 0 HB THR A 116 -7.814 1.207 6.284 1.00 0.00 H new ATOM 0 HG1 THR A 116 -7.755 2.152 4.042 1.00 0.00 H new ATOM 0 HG21 THR A 116 -9.276 3.077 5.615 1.00 0.00 H new ATOM 0 HG22 THR A 116 -8.628 3.353 7.250 1.00 0.00 H new ATOM 0 HG23 THR A 116 -7.939 4.226 5.860 1.00 0.00 H new ATOM 1779 N VAL A 117 -4.341 3.686 5.714 1.00 0.00 N ATOM 1780 CA VAL A 117 -3.620 4.899 5.368 1.00 0.00 C ATOM 1781 C VAL A 117 -3.597 5.057 3.846 1.00 0.00 C ATOM 1782 O VAL A 117 -3.410 4.080 3.122 1.00 0.00 O ATOM 1783 CB VAL A 117 -2.222 4.873 5.989 1.00 0.00 C ATOM 1784 CG1 VAL A 117 -2.286 4.482 7.467 1.00 0.00 C ATOM 1785 CG2 VAL A 117 -1.296 3.934 5.214 1.00 0.00 C ATOM 0 H VAL A 117 -3.953 2.831 5.316 1.00 0.00 H new ATOM 0 HA VAL A 117 -4.125 5.774 5.778 1.00 0.00 H new ATOM 0 HB VAL A 117 -1.808 5.880 5.926 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -1.279 4.471 7.884 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -2.895 5.205 8.009 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -2.729 3.491 7.562 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -0.309 3.934 5.676 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -1.705 2.924 5.231 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -1.214 4.274 4.182 1.00 0.00 H new ATOM 1795 N GLY A 118 -3.786 6.292 3.408 1.00 0.00 N ATOM 1796 CA GLY A 118 -3.790 6.589 1.985 1.00 0.00 C ATOM 1797 C GLY A 118 -5.219 6.734 1.459 1.00 0.00 C ATOM 1798 O GLY A 118 -5.636 5.990 0.571 1.00 0.00 O ATOM 0 H GLY A 118 -3.938 7.099 4.013 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -3.236 7.509 1.800 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -3.278 5.794 1.443 1.00 0.00 H new ATOM 2336 N ASP A 154 9.194 13.209 -6.051 1.00 0.00 N ATOM 2337 CA ASP A 154 9.150 13.293 -4.602 1.00 0.00 C ATOM 2338 C ASP A 154 7.794 12.779 -4.108 1.00 0.00 C ATOM 2339 O ASP A 154 7.438 12.979 -2.948 1.00 0.00 O ATOM 2340 CB ASP A 154 9.310 14.737 -4.127 1.00 0.00 C ATOM 2341 CG ASP A 154 10.719 15.313 -4.273 1.00 0.00 C ATOM 2342 OD1 ASP A 154 10.984 16.140 -5.158 1.00 0.00 O ATOM 2343 OD2 ASP A 154 11.579 14.874 -3.418 1.00 0.00 O ATOM 0 HA ASP A 154 9.968 12.692 -4.204 1.00 0.00 H new ATOM 0 HB2 ASP A 154 8.617 15.366 -4.685 1.00 0.00 H new ATOM 0 HB3 ASP A 154 9.018 14.793 -3.078 1.00 0.00 H new ATOM 2349 N ARG A 155 7.077 12.131 -5.013 1.00 0.00 N ATOM 2350 CA ARG A 155 5.770 11.590 -4.686 1.00 0.00 C ATOM 2351 C ARG A 155 5.917 10.314 -3.853 1.00 0.00 C ATOM 2352 O ARG A 155 5.078 10.023 -3.003 1.00 0.00 O ATOM 2353 CB ARG A 155 4.969 11.276 -5.951 1.00 0.00 C ATOM 2354 CG ARG A 155 3.530 10.885 -5.608 1.00 0.00 C ATOM 2355 CD ARG A 155 3.379 9.366 -5.523 1.00 0.00 C ATOM 2356 NE ARG A 155 2.716 8.853 -6.742 1.00 0.00 N ATOM 2357 CZ ARG A 155 1.403 9.014 -7.013 1.00 0.00 C ATOM 2358 NH1 ARG A 155 0.601 9.673 -6.149 1.00 0.00 N ATOM 2359 NH2 ARG A 155 0.914 8.514 -8.132 1.00 0.00 N ATOM 0 H ARG A 155 7.377 11.968 -5.974 1.00 0.00 H new ATOM 0 HA ARG A 155 5.234 12.345 -4.110 1.00 0.00 H new ATOM 0 HB2 ARG A 155 4.966 12.145 -6.609 1.00 0.00 H new ATOM 0 HB3 ARG A 155 5.449 10.464 -6.497 1.00 0.00 H new ATOM 0 HG2 ARG A 155 3.244 11.336 -4.658 1.00 0.00 H new ATOM 0 HG3 ARG A 155 2.852 11.279 -6.365 1.00 0.00 H new ATOM 0 HD2 ARG A 155 4.358 8.901 -5.409 1.00 0.00 H new ATOM 0 HD3 ARG A 155 2.795 9.099 -4.642 1.00 0.00 H new ATOM 0 HE ARG A 155 3.286 8.346 -7.420 1.00 0.00 H new ATOM 0 HH11 ARG A 155 0.986 10.053 -5.284 1.00 0.00 H new ATOM 0 HH12 ARG A 155 -0.390 9.790 -6.361 1.00 0.00 H new ATOM 0 HH21 ARG A 155 1.526 8.014 -8.778 1.00 0.00 H new ATOM 0 HH22 ARG A 155 -0.076 8.627 -8.351 1.00 0.00 H new ATOM 2373 N ILE A 156 6.990 9.587 -4.128 1.00 0.00 N ATOM 2374 CA ILE A 156 7.258 8.349 -3.416 1.00 0.00 C ATOM 2375 C ILE A 156 7.624 8.667 -1.966 1.00 0.00 C ATOM 2376 O ILE A 156 7.225 7.953 -1.049 1.00 0.00 O ATOM 2377 CB ILE A 156 8.317 7.527 -4.152 1.00 0.00 C ATOM 2378 CG1 ILE A 156 9.503 8.402 -4.562 1.00 0.00 C ATOM 2379 CG2 ILE A 156 7.709 6.789 -5.346 1.00 0.00 C ATOM 2380 CD1 ILE A 156 10.829 7.752 -4.159 1.00 0.00 C ATOM 0 H ILE A 156 7.684 9.832 -4.834 1.00 0.00 H new ATOM 0 HA ILE A 156 6.365 7.725 -3.389 1.00 0.00 H new ATOM 0 HB ILE A 156 8.697 6.769 -3.467 1.00 0.00 H new ATOM 0 HG12 ILE A 156 9.485 8.563 -5.640 1.00 0.00 H new ATOM 0 HG13 ILE A 156 9.416 9.382 -4.092 1.00 0.00 H new ATOM 0 HG21 ILE A 156 8.484 6.213 -5.851 1.00 0.00 H new ATOM 0 HG22 ILE A 156 6.926 6.116 -4.997 1.00 0.00 H new ATOM 0 HG23 ILE A 156 7.283 7.512 -6.042 1.00 0.00 H new ATOM 0 HD11 ILE A 156 11.656 8.394 -4.462 1.00 0.00 H new ATOM 0 HD12 ILE A 156 10.853 7.615 -3.078 1.00 0.00 H new ATOM 0 HD13 ILE A 156 10.923 6.783 -4.650 1.00 0.00 H new ATOM 2392 N LYS A 157 8.380 9.745 -1.803 1.00 0.00 N ATOM 2393 CA LYS A 157 8.805 10.168 -0.480 1.00 0.00 C ATOM 2394 C LYS A 157 7.587 10.641 0.315 1.00 0.00 C ATOM 2395 O LYS A 157 7.550 10.509 1.538 1.00 0.00 O ATOM 2396 CB LYS A 157 9.918 11.213 -0.583 1.00 0.00 C ATOM 2397 CG LYS A 157 9.352 12.629 -0.465 1.00 0.00 C ATOM 2398 CD LYS A 157 10.333 13.661 -1.026 1.00 0.00 C ATOM 2399 CE LYS A 157 9.975 15.071 -0.551 1.00 0.00 C ATOM 2400 NZ LYS A 157 11.117 15.681 0.167 1.00 0.00 N ATOM 0 H LYS A 157 8.708 10.337 -2.566 1.00 0.00 H new ATOM 0 HA LYS A 157 9.237 9.330 0.068 1.00 0.00 H new ATOM 0 HB2 LYS A 157 10.654 11.045 0.203 1.00 0.00 H new ATOM 0 HB3 LYS A 157 10.438 11.103 -1.535 1.00 0.00 H new ATOM 0 HG2 LYS A 157 8.406 12.692 -1.002 1.00 0.00 H new ATOM 0 HG3 LYS A 157 9.141 12.854 0.580 1.00 0.00 H new ATOM 0 HD2 LYS A 157 11.347 13.413 -0.711 1.00 0.00 H new ATOM 0 HD3 LYS A 157 10.320 13.626 -2.115 1.00 0.00 H new ATOM 0 HE2 LYS A 157 9.702 15.691 -1.405 1.00 0.00 H new ATOM 0 HE3 LYS A 157 9.105 15.031 0.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 157 10.858 16.637 0.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 157 11.359 15.098 0.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 157 11.937 15.737 -0.470 1.00 0.00 H new ATOM 2414 N SER A 158 6.620 11.184 -0.411 1.00 0.00 N ATOM 2415 CA SER A 158 5.405 11.678 0.211 1.00 0.00 C ATOM 2416 C SER A 158 4.538 10.505 0.673 1.00 0.00 C ATOM 2417 O SER A 158 4.223 10.388 1.855 1.00 0.00 O ATOM 2418 CB SER A 158 4.618 12.573 -0.749 1.00 0.00 C ATOM 2419 OG SER A 158 5.328 13.768 -1.067 1.00 0.00 O ATOM 0 H SER A 158 6.654 11.292 -1.425 1.00 0.00 H new ATOM 0 HA SER A 158 5.685 12.278 1.077 1.00 0.00 H new ATOM 0 HB2 SER A 158 4.405 12.023 -1.666 1.00 0.00 H new ATOM 0 HB3 SER A 158 3.658 12.830 -0.301 1.00 0.00 H new ATOM 0 HG SER A 158 6.041 13.564 -1.708 1.00 0.00 H new ATOM 2425 N TRP A 159 4.178 9.665 -0.286 1.00 0.00 N ATOM 2426 CA TRP A 159 3.354 8.504 0.006 1.00 0.00 C ATOM 2427 C TRP A 159 4.059 7.683 1.087 1.00 0.00 C ATOM 2428 O TRP A 159 3.465 7.361 2.115 1.00 0.00 O ATOM 2429 CB TRP A 159 3.069 7.699 -1.262 1.00 0.00 C ATOM 2430 CG TRP A 159 2.074 6.553 -1.064 1.00 0.00 C ATOM 2431 CD1 TRP A 159 0.749 6.635 -0.878 1.00 0.00 C ATOM 2432 CD2 TRP A 159 2.379 5.143 -1.040 1.00 0.00 C ATOM 2433 NE1 TRP A 159 0.181 5.386 -0.735 1.00 0.00 N ATOM 2434 CE2 TRP A 159 1.204 4.450 -0.837 1.00 0.00 C ATOM 2435 CE3 TRP A 159 3.608 4.477 -1.185 1.00 0.00 C ATOM 2436 CZ2 TRP A 159 1.141 3.054 -0.761 1.00 0.00 C ATOM 2437 CZ3 TRP A 159 3.529 3.081 -1.106 1.00 0.00 C ATOM 2438 CH2 TRP A 159 2.354 2.368 -0.902 1.00 0.00 C ATOM 0 H TRP A 159 4.442 9.765 -1.266 1.00 0.00 H new ATOM 0 HA TRP A 159 2.378 8.811 0.381 1.00 0.00 H new ATOM 0 HB2 TRP A 159 2.684 8.372 -2.028 1.00 0.00 H new ATOM 0 HB3 TRP A 159 4.007 7.291 -1.639 1.00 0.00 H new ATOM 0 HD1 TRP A 159 0.196 7.562 -0.844 1.00 0.00 H new ATOM 0 HE1 TRP A 159 -0.808 5.186 -0.583 1.00 0.00 H new ATOM 0 HE3 TRP A 159 4.539 5.000 -1.345 1.00 0.00 H new ATOM 0 HZ2 TRP A 159 0.208 2.534 -0.602 1.00 0.00 H new ATOM 0 HZ3 TRP A 159 4.445 2.519 -1.211 1.00 0.00 H new ATOM 0 HH2 TRP A 159 2.376 1.289 -0.852 1.00 0.00 H new ATOM 2449 N VAL A 160 5.319 7.370 0.821 1.00 0.00 N ATOM 2450 CA VAL A 160 6.113 6.594 1.758 1.00 0.00 C ATOM 2451 C VAL A 160 6.021 7.232 3.146 1.00 0.00 C ATOM 2452 O VAL A 160 5.715 6.554 4.126 1.00 0.00 O ATOM 2453 CB VAL A 160 7.551 6.472 1.249 1.00 0.00 C ATOM 2454 CG1 VAL A 160 8.473 5.926 2.342 1.00 0.00 C ATOM 2455 CG2 VAL A 160 7.616 5.603 -0.007 1.00 0.00 C ATOM 0 H VAL A 160 5.810 7.640 -0.031 1.00 0.00 H new ATOM 0 HA VAL A 160 5.725 5.579 1.840 1.00 0.00 H new ATOM 0 HB VAL A 160 7.899 7.470 0.983 1.00 0.00 H new ATOM 0 HG11 VAL A 160 9.489 5.849 1.956 1.00 0.00 H new ATOM 0 HG12 VAL A 160 8.461 6.600 3.199 1.00 0.00 H new ATOM 0 HG13 VAL A 160 8.126 4.940 2.651 1.00 0.00 H new ATOM 0 HG21 VAL A 160 8.649 5.533 -0.348 1.00 0.00 H new ATOM 0 HG22 VAL A 160 7.240 4.605 0.221 1.00 0.00 H new ATOM 0 HG23 VAL A 160 7.005 6.050 -0.791 1.00 0.00 H new ATOM 2465 N ALA A 161 6.293 8.528 3.186 1.00 0.00 N ATOM 2466 CA ALA A 161 6.245 9.265 4.437 1.00 0.00 C ATOM 2467 C ALA A 161 4.849 9.132 5.050 1.00 0.00 C ATOM 2468 O ALA A 161 4.701 9.126 6.271 1.00 0.00 O ATOM 2469 CB ALA A 161 6.634 10.724 4.187 1.00 0.00 C ATOM 0 H ALA A 161 6.548 9.087 2.372 1.00 0.00 H new ATOM 0 HA ALA A 161 6.960 8.854 5.150 1.00 0.00 H new ATOM 0 HB1 ALA A 161 6.598 11.276 5.126 1.00 0.00 H new ATOM 0 HB2 ALA A 161 7.644 10.767 3.780 1.00 0.00 H new ATOM 0 HB3 ALA A 161 5.937 11.170 3.477 1.00 0.00 H new ATOM 2475 N GLN A 162 3.861 9.027 4.174 1.00 0.00 N ATOM 2476 CA GLN A 162 2.482 8.896 4.613 1.00 0.00 C ATOM 2477 C GLN A 162 2.280 7.560 5.331 1.00 0.00 C ATOM 2478 O GLN A 162 1.689 7.514 6.409 1.00 0.00 O ATOM 2479 CB GLN A 162 1.515 9.037 3.436 1.00 0.00 C ATOM 2480 CG GLN A 162 0.675 10.309 3.565 1.00 0.00 C ATOM 2481 CD GLN A 162 -0.253 10.478 2.361 1.00 0.00 C ATOM 2482 OE1 GLN A 162 -0.592 9.532 1.668 1.00 0.00 O ATOM 2483 NE2 GLN A 162 -0.646 11.731 2.153 1.00 0.00 N ATOM 0 H GLN A 162 3.988 9.030 3.162 1.00 0.00 H new ATOM 0 HA GLN A 162 2.266 9.701 5.315 1.00 0.00 H new ATOM 0 HB2 GLN A 162 2.075 9.060 2.501 1.00 0.00 H new ATOM 0 HB3 GLN A 162 0.860 8.167 3.393 1.00 0.00 H new ATOM 0 HG2 GLN A 162 0.085 10.268 4.480 1.00 0.00 H new ATOM 0 HG3 GLN A 162 1.331 11.175 3.647 1.00 0.00 H new ATOM 0 HE21 GLN A 162 -0.325 12.476 2.772 1.00 0.00 H new ATOM 0 HE22 GLN A 162 -1.269 11.948 1.375 1.00 0.00 H new ATOM 2492 N LEU A 163 2.781 6.506 4.705 1.00 0.00 N ATOM 2493 CA LEU A 163 2.663 5.172 5.270 1.00 0.00 C ATOM 2494 C LEU A 163 3.434 5.113 6.590 1.00 0.00 C ATOM 2495 O LEU A 163 2.881 4.728 7.621 1.00 0.00 O ATOM 2496 CB LEU A 163 3.103 4.117 4.253 1.00 0.00 C ATOM 2497 CG LEU A 163 2.946 4.499 2.780 1.00 0.00 C ATOM 2498 CD1 LEU A 163 3.157 3.285 1.873 1.00 0.00 C ATOM 2499 CD2 LEU A 163 1.595 5.174 2.530 1.00 0.00 C ATOM 0 H LEU A 163 3.270 6.548 3.811 1.00 0.00 H new ATOM 0 HA LEU A 163 1.621 4.946 5.497 1.00 0.00 H new ATOM 0 HB2 LEU A 163 4.151 3.879 4.436 1.00 0.00 H new ATOM 0 HB3 LEU A 163 2.533 3.206 4.434 1.00 0.00 H new ATOM 0 HG LEU A 163 3.720 5.225 2.531 1.00 0.00 H new ATOM 0 HD11 LEU A 163 3.040 3.584 0.831 1.00 0.00 H new ATOM 0 HD12 LEU A 163 4.160 2.887 2.025 1.00 0.00 H new ATOM 0 HD13 LEU A 163 2.422 2.518 2.115 1.00 0.00 H new ATOM 0 HD21 LEU A 163 1.509 5.436 1.475 1.00 0.00 H new ATOM 0 HD22 LEU A 163 0.791 4.490 2.801 1.00 0.00 H new ATOM 0 HD23 LEU A 163 1.522 6.078 3.135 1.00 0.00 H new ATOM 2511 N LYS A 164 4.699 5.501 6.518 1.00 0.00 N ATOM 2512 CA LYS A 164 5.551 5.497 7.694 1.00 0.00 C ATOM 2513 C LYS A 164 4.927 6.384 8.774 1.00 0.00 C ATOM 2514 O LYS A 164 5.055 6.102 9.965 1.00 0.00 O ATOM 2515 CB LYS A 164 6.980 5.896 7.322 1.00 0.00 C ATOM 2516 CG LYS A 164 7.584 4.906 6.324 1.00 0.00 C ATOM 2517 CD LYS A 164 7.557 3.481 6.881 1.00 0.00 C ATOM 2518 CE LYS A 164 8.110 3.439 8.306 1.00 0.00 C ATOM 2519 NZ LYS A 164 8.634 2.092 8.620 1.00 0.00 N ATOM 0 H LYS A 164 5.154 5.820 5.663 1.00 0.00 H new ATOM 0 HA LYS A 164 5.623 4.491 8.108 1.00 0.00 H new ATOM 0 HB2 LYS A 164 6.981 6.898 6.892 1.00 0.00 H new ATOM 0 HB3 LYS A 164 7.596 5.934 8.220 1.00 0.00 H new ATOM 0 HG2 LYS A 164 7.029 4.945 5.387 1.00 0.00 H new ATOM 0 HG3 LYS A 164 8.611 5.193 6.098 1.00 0.00 H new ATOM 0 HD2 LYS A 164 6.535 3.103 6.873 1.00 0.00 H new ATOM 0 HD3 LYS A 164 8.145 2.825 6.239 1.00 0.00 H new ATOM 0 HE2 LYS A 164 8.903 4.179 8.416 1.00 0.00 H new ATOM 0 HE3 LYS A 164 7.325 3.705 9.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 164 9.155 2.123 9.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 164 7.843 1.422 8.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 164 9.273 1.782 7.860 1.00 0.00 H new ATOM 2533 N SER A 165 4.265 7.437 8.320 1.00 0.00 N ATOM 2534 CA SER A 165 3.622 8.368 9.233 1.00 0.00 C ATOM 2535 C SER A 165 2.576 7.636 10.075 1.00 0.00 C ATOM 2536 O SER A 165 2.757 7.457 11.279 1.00 0.00 O ATOM 2537 CB SER A 165 2.973 9.525 8.471 1.00 0.00 C ATOM 2538 OG SER A 165 3.837 10.654 8.377 1.00 0.00 O ATOM 0 H SER A 165 4.159 7.667 7.332 1.00 0.00 H new ATOM 0 HA SER A 165 4.384 8.783 9.892 1.00 0.00 H new ATOM 0 HB2 SER A 165 2.701 9.192 7.469 1.00 0.00 H new ATOM 0 HB3 SER A 165 2.050 9.816 8.972 1.00 0.00 H new ATOM 0 HG SER A 165 4.437 10.544 7.610 1.00 0.00 H new ATOM 2544 N GLU A 166 1.503 7.230 9.410 1.00 0.00 N ATOM 2545 CA GLU A 166 0.430 6.520 10.085 1.00 0.00 C ATOM 2546 C GLU A 166 0.967 5.247 10.744 1.00 0.00 C ATOM 2547 O GLU A 166 0.830 5.066 11.953 1.00 0.00 O ATOM 2548 CB GLU A 166 -0.706 6.195 9.113 1.00 0.00 C ATOM 2549 CG GLU A 166 -1.649 7.390 8.953 1.00 0.00 C ATOM 2550 CD GLU A 166 -1.442 8.076 7.602 1.00 0.00 C ATOM 2551 OE1 GLU A 166 -0.442 8.786 7.414 1.00 0.00 O ATOM 2552 OE2 GLU A 166 -2.364 7.849 6.730 1.00 0.00 O ATOM 0 H GLU A 166 1.354 7.379 8.412 1.00 0.00 H new ATOM 0 HA GLU A 166 0.026 7.167 10.864 1.00 0.00 H new ATOM 0 HB2 GLU A 166 -0.292 5.921 8.143 1.00 0.00 H new ATOM 0 HB3 GLU A 166 -1.265 5.332 9.476 1.00 0.00 H new ATOM 0 HG2 GLU A 166 -2.683 7.056 9.040 1.00 0.00 H new ATOM 0 HG3 GLU A 166 -1.476 8.104 9.758 1.00 0.00 H new ATOM 2560 N PHE A 167 1.566 4.400 9.921 1.00 0.00 N ATOM 2561 CA PHE A 167 2.124 3.151 10.410 1.00 0.00 C ATOM 2562 C PHE A 167 2.744 3.332 11.797 1.00 0.00 C ATOM 2563 O PHE A 167 2.464 2.559 12.711 1.00 0.00 O ATOM 2564 CB PHE A 167 3.221 2.735 9.426 1.00 0.00 C ATOM 2565 CG PHE A 167 2.691 2.192 8.098 1.00 0.00 C ATOM 2566 CD1 PHE A 167 1.355 2.195 7.846 1.00 0.00 C ATOM 2567 CD2 PHE A 167 3.558 1.704 7.169 1.00 0.00 C ATOM 2568 CE1 PHE A 167 0.863 1.690 6.612 1.00 0.00 C ATOM 2569 CE2 PHE A 167 3.066 1.198 5.936 1.00 0.00 C ATOM 2570 CZ PHE A 167 1.728 1.202 5.684 1.00 0.00 C ATOM 0 H PHE A 167 1.677 4.554 8.919 1.00 0.00 H new ATOM 0 HA PHE A 167 1.339 2.399 10.487 1.00 0.00 H new ATOM 0 HB2 PHE A 167 3.861 3.595 9.226 1.00 0.00 H new ATOM 0 HB3 PHE A 167 3.846 1.975 9.894 1.00 0.00 H new ATOM 0 HD1 PHE A 167 0.667 2.581 8.584 1.00 0.00 H new ATOM 0 HD2 PHE A 167 4.619 1.701 7.369 1.00 0.00 H new ATOM 0 HE1 PHE A 167 -0.198 1.694 6.412 1.00 0.00 H new ATOM 0 HE2 PHE A 167 3.753 0.810 5.199 1.00 0.00 H new ATOM 0 HZ PHE A 167 1.354 0.817 4.747 1.00 0.00 H new ATOM 2580 N GLY A 168 3.573 4.360 11.911 1.00 0.00 N ATOM 2581 CA GLY A 168 4.234 4.652 13.171 1.00 0.00 C ATOM 2582 C GLY A 168 5.497 5.486 12.947 1.00 0.00 C ATOM 2583 O GLY A 168 6.610 4.969 13.034 1.00 0.00 O ATOM 0 H GLY A 168 3.802 5.001 11.151 1.00 0.00 H new ATOM 0 HA2 GLY A 168 3.551 5.190 13.828 1.00 0.00 H new ATOM 0 HA3 GLY A 168 4.493 3.721 13.674 1.00 0.00 H new