USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 844 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: C 13 ASN : amide:sc= -0.0671 K(o=-0.06,f=-1.7!) USER MOD Set 1.2: C 19 THR OG1 : rot 180:sc= 0.00707 USER MOD Set 2.1: C 11 SER OG : rot 180:sc= 0.277 USER MOD Set 2.2: C 21 THR OG1 : rot -72:sc= 0.3 USER MOD Set 3.1: A 13 ASN : amide:sc= -0.283 K(o=-0.28,f=-1.5!) USER MOD Set 3.2: A 19 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 11 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 171:sc= -0.0111 (180deg=-0.0915) USER MOD Single : A 1 MET N :NH3+ 151:sc= 0.00448 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.787 X(o=-0.79,f=-0.49) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 35 ASN : amide:sc= -0.0704 K(o=-0.07,f=-1.9) USER MOD Single : A 38 LYS NZ :NH3+ -168:sc= -0.0189 (180deg=-0.182) USER MOD Single : A 43 HIS : no HE2:sc= -1.18 K(o=-1.2,f=-1.8) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0.837 K(o=0.84,f=0) USER MOD Single : C 1 MET CE :methyl 178:sc= 0 (180deg=-0.00378) USER MOD Single : C 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 5 THR OG1 : rot 180:sc= 0 USER MOD Single : C 7 LYS NZ :NH3+ -163:sc= -0.0425 (180deg=-0.327) USER MOD Single : C 26 SER OG : rot 17:sc= 0.0455 USER MOD Single : C 28 GLN :FLIP amide:sc= -1.18 F(o=-1.9,f=-1.2) USER MOD Single : C 29 GLN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : C 35 ASN : amide:sc= -0.041 K(o=-0.041,f=-1.8) USER MOD Single : C 38 LYS NZ :NH3+ -168:sc= -0.0107 (180deg=-0.178) USER MOD Single : C 43 HIS : no HE2:sc= -1.49 K(o=-1.5,f=-2.2) USER MOD Single : C 48 TYR OH : rot 2:sc= 1.02 USER MOD Single : C 49 GLN : amide:sc= 0.891 K(o=0.89,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.954 2.943 -1.404 1.00 0.00 N ATOM 2 CA MET A 1 -11.845 2.338 -0.641 1.00 0.00 C ATOM 3 C MET A 1 -11.882 0.823 -0.753 1.00 0.00 C ATOM 4 O MET A 1 -12.944 0.231 -0.611 1.00 0.00 O ATOM 5 CB MET A 1 -11.933 2.691 0.846 1.00 0.00 C ATOM 6 CG MET A 1 -10.768 2.081 1.629 1.00 0.00 C ATOM 7 SD MET A 1 -9.200 2.949 1.435 1.00 0.00 S ATOM 8 CE MET A 1 -9.557 4.295 2.585 1.00 0.00 C ATOM 0 H1 MET A 1 -13.227 3.845 -0.964 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.649 3.114 -2.383 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.769 2.297 -1.404 1.00 0.00 H new ATOM 0 HA MET A 1 -10.921 2.733 -1.063 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.928 3.774 0.966 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.877 2.329 1.253 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.029 2.061 2.687 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.637 1.046 1.313 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.653 4.882 2.750 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.334 4.935 2.166 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.899 3.882 3.534 1.00 0.00 H new ATOM 20 N LEU A 2 -10.730 0.200 -0.997 1.00 0.00 N ATOM 21 CA LEU A 2 -10.602 -1.244 -0.982 1.00 0.00 C ATOM 22 C LEU A 2 -9.471 -1.569 -0.005 1.00 0.00 C ATOM 23 O LEU A 2 -8.301 -1.343 -0.310 1.00 0.00 O ATOM 24 CB LEU A 2 -10.349 -1.731 -2.413 1.00 0.00 C ATOM 25 CG LEU A 2 -10.398 -3.257 -2.595 1.00 0.00 C ATOM 26 CD1 LEU A 2 -8.984 -3.810 -2.642 1.00 0.00 C ATOM 27 CD2 LEU A 2 -11.144 -4.005 -1.493 1.00 0.00 C ATOM 0 H LEU A 2 -9.861 0.690 -1.210 1.00 0.00 H new ATOM 0 HA LEU A 2 -11.502 -1.758 -0.645 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -11.089 -1.277 -3.072 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -9.372 -1.372 -2.736 1.00 0.00 H new ATOM 0 HG LEU A 2 -10.943 -3.416 -3.525 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -9.020 -4.892 -2.771 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -8.446 -3.363 -3.478 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -8.469 -3.573 -1.711 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -11.128 -5.074 -1.704 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -10.661 -3.817 -0.534 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -12.177 -3.659 -1.453 1.00 0.00 H new ATOM 39 N ILE A 3 -9.833 -2.100 1.168 1.00 0.00 N ATOM 40 CA ILE A 3 -8.880 -2.475 2.198 1.00 0.00 C ATOM 41 C ILE A 3 -8.350 -3.876 1.908 1.00 0.00 C ATOM 42 O ILE A 3 -9.068 -4.725 1.376 1.00 0.00 O ATOM 43 CB ILE A 3 -9.529 -2.475 3.593 1.00 0.00 C ATOM 44 CG1 ILE A 3 -9.956 -1.080 4.067 1.00 0.00 C ATOM 45 CG2 ILE A 3 -8.497 -2.981 4.605 1.00 0.00 C ATOM 46 CD1 ILE A 3 -11.331 -0.668 3.546 1.00 0.00 C ATOM 0 H ILE A 3 -10.804 -2.280 1.423 1.00 0.00 H new ATOM 0 HA ILE A 3 -8.071 -1.744 2.190 1.00 0.00 H new ATOM 0 HB ILE A 3 -10.417 -3.104 3.524 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -9.965 -1.060 5.157 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -9.216 -0.349 3.741 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -8.938 -2.989 5.602 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -8.189 -3.992 4.337 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -7.628 -2.323 4.598 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -11.577 0.328 3.916 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -11.319 -0.658 2.456 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -12.080 -1.379 3.894 1.00 0.00 H new ATOM 58 N LEU A 4 -7.089 -4.102 2.271 1.00 0.00 N ATOM 59 CA LEU A 4 -6.457 -5.406 2.250 1.00 0.00 C ATOM 60 C LEU A 4 -5.590 -5.520 3.499 1.00 0.00 C ATOM 61 O LEU A 4 -5.231 -4.511 4.103 1.00 0.00 O ATOM 62 CB LEU A 4 -5.595 -5.561 0.985 1.00 0.00 C ATOM 63 CG LEU A 4 -6.421 -5.602 -0.310 1.00 0.00 C ATOM 64 CD1 LEU A 4 -5.471 -5.644 -1.505 1.00 0.00 C ATOM 65 CD2 LEU A 4 -7.305 -6.846 -0.370 1.00 0.00 C ATOM 0 H LEU A 4 -6.469 -3.360 2.595 1.00 0.00 H new ATOM 0 HA LEU A 4 -7.210 -6.194 2.237 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -4.888 -4.733 0.931 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -5.008 -6.476 1.063 1.00 0.00 H new ATOM 0 HG LEU A 4 -7.053 -4.714 -0.333 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -6.049 -5.673 -2.429 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -4.840 -4.755 -1.500 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -4.845 -6.534 -1.441 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -7.875 -6.843 -1.299 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -6.680 -7.738 -0.331 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -7.991 -6.846 0.477 1.00 0.00 H new ATOM 77 N THR A 5 -5.257 -6.749 3.889 1.00 0.00 N ATOM 78 CA THR A 5 -4.363 -6.990 5.014 1.00 0.00 C ATOM 79 C THR A 5 -3.160 -7.758 4.513 1.00 0.00 C ATOM 80 O THR A 5 -3.275 -8.647 3.672 1.00 0.00 O ATOM 81 CB THR A 5 -5.062 -7.774 6.128 1.00 0.00 C ATOM 82 OG1 THR A 5 -5.684 -8.929 5.615 1.00 0.00 O ATOM 83 CG2 THR A 5 -6.113 -6.903 6.802 1.00 0.00 C ATOM 0 H THR A 5 -5.597 -7.598 3.437 1.00 0.00 H new ATOM 0 HA THR A 5 -4.055 -6.033 5.435 1.00 0.00 H new ATOM 0 HB THR A 5 -4.306 -8.070 6.855 1.00 0.00 H new ATOM 0 HG1 THR A 5 -6.123 -9.415 6.344 1.00 0.00 H new ATOM 0 HG21 THR A 5 -6.604 -7.471 7.592 1.00 0.00 H new ATOM 0 HG22 THR A 5 -5.635 -6.022 7.231 1.00 0.00 H new ATOM 0 HG23 THR A 5 -6.854 -6.591 6.066 1.00 0.00 H new ATOM 91 N ARG A 6 -1.991 -7.404 5.041 1.00 0.00 N ATOM 92 CA ARG A 6 -0.735 -8.040 4.676 1.00 0.00 C ATOM 93 C ARG A 6 0.138 -8.110 5.914 1.00 0.00 C ATOM 94 O ARG A 6 -0.127 -7.424 6.899 1.00 0.00 O ATOM 95 CB ARG A 6 -0.025 -7.201 3.606 1.00 0.00 C ATOM 96 CG ARG A 6 -0.758 -7.128 2.262 1.00 0.00 C ATOM 97 CD ARG A 6 -0.607 -8.376 1.390 1.00 0.00 C ATOM 98 NE ARG A 6 -1.217 -9.565 1.995 1.00 0.00 N ATOM 99 CZ ARG A 6 -1.034 -10.806 1.537 1.00 0.00 C ATOM 100 NH1 ARG A 6 -0.317 -11.023 0.440 1.00 0.00 N ATOM 101 NH2 ARG A 6 -1.571 -11.836 2.182 1.00 0.00 N ATOM 0 H ARG A 6 -1.891 -6.665 5.737 1.00 0.00 H new ATOM 0 HA ARG A 6 -0.921 -9.039 4.282 1.00 0.00 H new ATOM 0 HB2 ARG A 6 0.109 -6.189 3.987 1.00 0.00 H new ATOM 0 HB3 ARG A 6 0.970 -7.614 3.440 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -1.818 -6.957 2.449 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -0.389 -6.265 1.707 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -1.064 -8.193 0.418 1.00 0.00 H new ATOM 0 HD3 ARG A 6 0.452 -8.565 1.214 1.00 0.00 H new ATOM 0 HE ARG A 6 -1.815 -9.437 2.812 1.00 0.00 H new ATOM 0 HH11 ARG A 6 0.100 -10.238 -0.061 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -0.183 -11.975 0.098 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -2.122 -11.678 3.026 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -1.432 -12.784 1.833 1.00 0.00 H new ATOM 115 N LYS A 7 1.179 -8.939 5.860 1.00 0.00 N ATOM 116 CA LYS A 7 2.143 -9.056 6.939 1.00 0.00 C ATOM 117 C LYS A 7 3.467 -8.524 6.409 1.00 0.00 C ATOM 118 O LYS A 7 3.680 -8.527 5.196 1.00 0.00 O ATOM 119 CB LYS A 7 2.288 -10.517 7.370 1.00 0.00 C ATOM 120 CG LYS A 7 0.982 -11.184 7.818 1.00 0.00 C ATOM 121 CD LYS A 7 0.463 -10.740 9.184 1.00 0.00 C ATOM 122 CE LYS A 7 1.032 -11.630 10.286 1.00 0.00 C ATOM 123 NZ LYS A 7 0.450 -11.301 11.599 1.00 0.00 N ATOM 0 H LYS A 7 1.373 -9.547 5.064 1.00 0.00 H new ATOM 0 HA LYS A 7 1.819 -8.490 7.812 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.705 -11.087 6.540 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.007 -10.571 8.187 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.214 -10.981 7.071 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.131 -12.264 7.837 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.742 -9.702 9.366 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.626 -10.785 9.198 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.833 -12.675 10.050 1.00 0.00 H new ATOM 0 HE3 LYS A 7 2.115 -11.513 10.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.858 -11.924 12.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.661 -10.310 11.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -0.581 -11.437 11.566 1.00 0.00 H new ATOM 137 N VAL A 8 4.359 -8.069 7.290 1.00 0.00 N ATOM 138 CA VAL A 8 5.637 -7.530 6.840 1.00 0.00 C ATOM 139 C VAL A 8 6.383 -8.558 5.986 1.00 0.00 C ATOM 140 O VAL A 8 6.804 -9.604 6.475 1.00 0.00 O ATOM 141 CB VAL A 8 6.461 -7.003 8.023 1.00 0.00 C ATOM 142 CG1 VAL A 8 5.663 -5.911 8.733 1.00 0.00 C ATOM 143 CG2 VAL A 8 6.818 -8.063 9.066 1.00 0.00 C ATOM 0 H VAL A 8 4.222 -8.063 8.301 1.00 0.00 H new ATOM 0 HA VAL A 8 5.455 -6.669 6.197 1.00 0.00 H new ATOM 0 HB VAL A 8 7.396 -6.639 7.597 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.239 -5.529 9.576 1.00 0.00 H new ATOM 0 HG12 VAL A 8 5.458 -5.099 8.036 1.00 0.00 H new ATOM 0 HG13 VAL A 8 4.722 -6.325 9.095 1.00 0.00 H new ATOM 0 HG21 VAL A 8 7.400 -7.605 9.866 1.00 0.00 H new ATOM 0 HG22 VAL A 8 5.904 -8.488 9.480 1.00 0.00 H new ATOM 0 HG23 VAL A 8 7.405 -8.852 8.596 1.00 0.00 H new ATOM 153 N GLY A 9 6.544 -8.248 4.695 1.00 0.00 N ATOM 154 CA GLY A 9 7.224 -9.105 3.731 1.00 0.00 C ATOM 155 C GLY A 9 6.332 -9.480 2.542 1.00 0.00 C ATOM 156 O GLY A 9 6.832 -9.964 1.530 1.00 0.00 O ATOM 0 H GLY A 9 6.198 -7.379 4.289 1.00 0.00 H new ATOM 0 HA2 GLY A 9 8.116 -8.597 3.365 1.00 0.00 H new ATOM 0 HA3 GLY A 9 7.558 -10.014 4.231 1.00 0.00 H new ATOM 160 N GLU A 10 5.018 -9.261 2.656 1.00 0.00 N ATOM 161 CA GLU A 10 4.054 -9.602 1.614 1.00 0.00 C ATOM 162 C GLU A 10 3.924 -8.486 0.568 1.00 0.00 C ATOM 163 O GLU A 10 4.653 -7.494 0.619 1.00 0.00 O ATOM 164 CB GLU A 10 2.700 -9.881 2.270 1.00 0.00 C ATOM 165 CG GLU A 10 2.763 -11.080 3.216 1.00 0.00 C ATOM 166 CD GLU A 10 3.154 -12.357 2.474 1.00 0.00 C ATOM 167 OE1 GLU A 10 2.398 -12.746 1.558 1.00 0.00 O ATOM 168 OE2 GLU A 10 4.205 -12.936 2.828 1.00 0.00 O ATOM 0 H GLU A 10 4.594 -8.839 3.482 1.00 0.00 H new ATOM 0 HA GLU A 10 4.407 -10.489 1.088 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.375 -8.999 2.822 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.953 -10.066 1.498 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.485 -10.882 4.008 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.794 -11.218 3.695 1.00 0.00 H new ATOM 175 N SER A 11 2.994 -8.648 -0.383 1.00 0.00 N ATOM 176 CA SER A 11 2.823 -7.714 -1.496 1.00 0.00 C ATOM 177 C SER A 11 1.358 -7.563 -1.922 1.00 0.00 C ATOM 178 O SER A 11 0.502 -8.345 -1.511 1.00 0.00 O ATOM 179 CB SER A 11 3.637 -8.203 -2.699 1.00 0.00 C ATOM 180 OG SER A 11 5.008 -8.296 -2.373 1.00 0.00 O ATOM 0 H SER A 11 2.341 -9.431 -0.399 1.00 0.00 H new ATOM 0 HA SER A 11 3.172 -6.740 -1.153 1.00 0.00 H new ATOM 0 HB2 SER A 11 3.268 -9.177 -3.021 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.503 -7.518 -3.537 1.00 0.00 H new ATOM 0 HG SER A 11 5.509 -8.611 -3.154 1.00 0.00 H new ATOM 186 N ILE A 12 1.096 -6.545 -2.747 1.00 0.00 N ATOM 187 CA ILE A 12 -0.213 -6.173 -3.283 1.00 0.00 C ATOM 188 C ILE A 12 -0.003 -5.673 -4.717 1.00 0.00 C ATOM 189 O ILE A 12 1.132 -5.397 -5.105 1.00 0.00 O ATOM 190 CB ILE A 12 -0.853 -5.099 -2.381 1.00 0.00 C ATOM 191 CG1 ILE A 12 -1.105 -5.678 -0.980 1.00 0.00 C ATOM 192 CG2 ILE A 12 -2.171 -4.566 -2.958 1.00 0.00 C ATOM 193 CD1 ILE A 12 -1.790 -4.682 -0.040 1.00 0.00 C ATOM 0 H ILE A 12 1.835 -5.924 -3.076 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.895 -7.023 -3.301 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.154 -4.264 -2.324 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.723 -6.572 -1.067 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.155 -5.988 -0.544 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.583 -3.812 -2.287 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.986 -4.120 -3.935 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.881 -5.387 -3.062 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.942 -5.147 0.934 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.162 -3.798 0.074 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.754 -4.391 -0.458 1.00 0.00 H new ATOM 205 N ASN A 13 -1.066 -5.545 -5.518 1.00 0.00 N ATOM 206 CA ASN A 13 -0.951 -5.139 -6.915 1.00 0.00 C ATOM 207 C ASN A 13 -2.021 -4.131 -7.315 1.00 0.00 C ATOM 208 O ASN A 13 -3.101 -4.081 -6.731 1.00 0.00 O ATOM 209 CB ASN A 13 -1.055 -6.378 -7.805 1.00 0.00 C ATOM 210 CG ASN A 13 0.293 -7.074 -7.913 1.00 0.00 C ATOM 211 OD1 ASN A 13 0.532 -8.094 -7.268 1.00 0.00 O ATOM 212 ND2 ASN A 13 1.179 -6.524 -8.734 1.00 0.00 N ATOM 0 H ASN A 13 -2.024 -5.720 -5.214 1.00 0.00 H new ATOM 0 HA ASN A 13 0.016 -4.653 -7.043 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -1.794 -7.066 -7.395 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -1.403 -6.091 -8.797 1.00 0.00 H new ATOM 0 HD21 ASN A 13 2.100 -6.948 -8.849 1.00 0.00 H new ATOM 0 HD22 ASN A 13 0.939 -5.677 -9.250 1.00 0.00 H new ATOM 219 N ILE A 14 -1.698 -3.321 -8.330 1.00 0.00 N ATOM 220 CA ILE A 14 -2.580 -2.291 -8.860 1.00 0.00 C ATOM 221 C ILE A 14 -2.410 -2.233 -10.378 1.00 0.00 C ATOM 222 O ILE A 14 -1.306 -2.435 -10.893 1.00 0.00 O ATOM 223 CB ILE A 14 -2.246 -0.928 -8.230 1.00 0.00 C ATOM 224 CG1 ILE A 14 -2.331 -1.000 -6.698 1.00 0.00 C ATOM 225 CG2 ILE A 14 -3.214 0.136 -8.757 1.00 0.00 C ATOM 226 CD1 ILE A 14 -1.981 0.327 -6.027 1.00 0.00 C ATOM 0 H ILE A 14 -0.799 -3.369 -8.810 1.00 0.00 H new ATOM 0 HA ILE A 14 -3.615 -2.531 -8.617 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.226 -0.659 -8.505 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.339 -1.295 -6.407 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.655 -1.775 -6.336 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.974 1.100 -8.308 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.122 0.207 -9.841 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.236 -0.141 -8.497 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -2.057 0.219 -4.945 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -0.963 0.611 -6.292 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -2.673 1.099 -6.364 1.00 0.00 H new ATOM 238 N GLY A 15 -3.502 -1.958 -11.096 1.00 0.00 N ATOM 239 CA GLY A 15 -3.479 -1.910 -12.547 1.00 0.00 C ATOM 240 C GLY A 15 -2.923 -3.210 -13.116 1.00 0.00 C ATOM 241 O GLY A 15 -3.217 -4.292 -12.611 1.00 0.00 O ATOM 0 H GLY A 15 -4.416 -1.765 -10.686 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -4.487 -1.742 -12.927 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -2.868 -1.070 -12.879 1.00 0.00 H new ATOM 245 N ASP A 16 -2.118 -3.093 -14.173 1.00 0.00 N ATOM 246 CA ASP A 16 -1.441 -4.219 -14.794 1.00 0.00 C ATOM 247 C ASP A 16 0.044 -3.892 -14.965 1.00 0.00 C ATOM 248 O ASP A 16 0.774 -4.607 -15.649 1.00 0.00 O ATOM 249 CB ASP A 16 -2.122 -4.558 -16.120 1.00 0.00 C ATOM 250 CG ASP A 16 -1.608 -5.874 -16.701 1.00 0.00 C ATOM 251 OD1 ASP A 16 -1.639 -6.881 -15.960 1.00 0.00 O ATOM 252 OD2 ASP A 16 -1.189 -5.860 -17.881 1.00 0.00 O ATOM 0 H ASP A 16 -1.919 -2.200 -14.623 1.00 0.00 H new ATOM 0 HA ASP A 16 -1.509 -5.102 -14.159 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -3.200 -4.623 -15.969 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.949 -3.753 -16.834 1.00 0.00 H new ATOM 257 N ASP A 17 0.487 -2.798 -14.332 1.00 0.00 N ATOM 258 CA ASP A 17 1.852 -2.299 -14.444 1.00 0.00 C ATOM 259 C ASP A 17 2.389 -1.806 -13.100 1.00 0.00 C ATOM 260 O ASP A 17 3.466 -1.217 -13.067 1.00 0.00 O ATOM 261 CB ASP A 17 1.898 -1.163 -15.474 1.00 0.00 C ATOM 262 CG ASP A 17 1.441 -1.626 -16.854 1.00 0.00 C ATOM 263 OD1 ASP A 17 2.280 -2.216 -17.570 1.00 0.00 O ATOM 264 OD2 ASP A 17 0.257 -1.382 -17.184 1.00 0.00 O ATOM 0 H ASP A 17 -0.104 -2.233 -13.722 1.00 0.00 H new ATOM 0 HA ASP A 17 2.487 -3.123 -14.769 1.00 0.00 H new ATOM 0 HB2 ASP A 17 1.264 -0.343 -15.138 1.00 0.00 H new ATOM 0 HB3 ASP A 17 2.914 -0.774 -15.540 1.00 0.00 H new ATOM 269 N ILE A 18 1.672 -2.030 -11.988 1.00 0.00 N ATOM 270 CA ILE A 18 2.129 -1.571 -10.686 1.00 0.00 C ATOM 271 C ILE A 18 2.058 -2.699 -9.663 1.00 0.00 C ATOM 272 O ILE A 18 1.174 -3.557 -9.720 1.00 0.00 O ATOM 273 CB ILE A 18 1.311 -0.352 -10.226 1.00 0.00 C ATOM 274 CG1 ILE A 18 1.393 0.827 -11.208 1.00 0.00 C ATOM 275 CG2 ILE A 18 1.823 0.129 -8.864 1.00 0.00 C ATOM 276 CD1 ILE A 18 0.274 0.771 -12.252 1.00 0.00 C ATOM 0 H ILE A 18 0.780 -2.524 -11.973 1.00 0.00 H new ATOM 0 HA ILE A 18 3.171 -1.264 -10.773 1.00 0.00 H new ATOM 0 HB ILE A 18 0.272 -0.678 -10.170 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.330 1.765 -10.657 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.360 0.816 -11.710 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.242 0.993 -8.541 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.719 -0.672 -8.133 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.873 0.410 -8.948 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.365 1.621 -12.929 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.353 -0.156 -12.821 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.693 0.808 -11.751 1.00 0.00 H new ATOM 288 N THR A 19 3.006 -2.687 -8.723 1.00 0.00 N ATOM 289 CA THR A 19 3.074 -3.636 -7.623 1.00 0.00 C ATOM 290 C THR A 19 3.435 -2.862 -6.359 1.00 0.00 C ATOM 291 O THR A 19 4.037 -1.792 -6.431 1.00 0.00 O ATOM 292 CB THR A 19 4.122 -4.711 -7.931 1.00 0.00 C ATOM 293 OG1 THR A 19 3.835 -5.316 -9.171 1.00 0.00 O ATOM 294 CG2 THR A 19 4.150 -5.800 -6.858 1.00 0.00 C ATOM 0 H THR A 19 3.761 -2.001 -8.710 1.00 0.00 H new ATOM 0 HA THR A 19 2.117 -4.138 -7.482 1.00 0.00 H new ATOM 0 HB THR A 19 5.094 -4.219 -7.957 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.508 -6.001 -9.364 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.906 -6.543 -7.113 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.391 -5.354 -5.893 1.00 0.00 H new ATOM 0 HG23 THR A 19 3.173 -6.281 -6.802 1.00 0.00 H new ATOM 302 N ILE A 20 3.062 -3.409 -5.198 1.00 0.00 N ATOM 303 CA ILE A 20 3.247 -2.771 -3.902 1.00 0.00 C ATOM 304 C ILE A 20 3.813 -3.815 -2.943 1.00 0.00 C ATOM 305 O ILE A 20 3.515 -5.000 -3.074 1.00 0.00 O ATOM 306 CB ILE A 20 1.892 -2.257 -3.393 1.00 0.00 C ATOM 307 CG1 ILE A 20 1.196 -1.312 -4.384 1.00 0.00 C ATOM 308 CG2 ILE A 20 2.042 -1.562 -2.037 1.00 0.00 C ATOM 309 CD1 ILE A 20 1.939 0.007 -4.572 1.00 0.00 C ATOM 0 H ILE A 20 2.616 -4.324 -5.137 1.00 0.00 H new ATOM 0 HA ILE A 20 3.932 -1.926 -3.977 1.00 0.00 H new ATOM 0 HB ILE A 20 1.260 -3.138 -3.284 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.103 -1.811 -5.349 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.185 -1.106 -4.032 1.00 0.00 H new ATOM 0 HG21 ILE A 20 1.068 -1.208 -1.700 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.443 -2.267 -1.309 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.722 -0.716 -2.135 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.398 0.631 -5.283 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.009 0.525 -3.615 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.941 -0.191 -4.952 1.00 0.00 H new ATOM 321 N THR A 21 4.619 -3.375 -1.979 1.00 0.00 N ATOM 322 CA THR A 21 5.245 -4.271 -1.017 1.00 0.00 C ATOM 323 C THR A 21 5.214 -3.630 0.366 1.00 0.00 C ATOM 324 O THR A 21 5.251 -2.405 0.490 1.00 0.00 O ATOM 325 CB THR A 21 6.693 -4.543 -1.442 1.00 0.00 C ATOM 326 OG1 THR A 21 6.747 -4.920 -2.801 1.00 0.00 O ATOM 327 CG2 THR A 21 7.315 -5.669 -0.616 1.00 0.00 C ATOM 0 H THR A 21 4.854 -2.391 -1.845 1.00 0.00 H new ATOM 0 HA THR A 21 4.702 -5.215 -0.983 1.00 0.00 H new ATOM 0 HB THR A 21 7.250 -3.620 -1.280 1.00 0.00 H new ATOM 0 HG1 THR A 21 7.678 -5.089 -3.057 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.341 -5.836 -0.943 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.311 -5.392 0.438 1.00 0.00 H new ATOM 0 HG23 THR A 21 6.737 -6.583 -0.753 1.00 0.00 H new ATOM 335 N ILE A 22 5.147 -4.459 1.408 1.00 0.00 N ATOM 336 CA ILE A 22 5.160 -4.008 2.792 1.00 0.00 C ATOM 337 C ILE A 22 6.475 -4.449 3.432 1.00 0.00 C ATOM 338 O ILE A 22 6.573 -5.528 4.013 1.00 0.00 O ATOM 339 CB ILE A 22 3.890 -4.474 3.526 1.00 0.00 C ATOM 340 CG1 ILE A 22 3.973 -4.236 5.037 1.00 0.00 C ATOM 341 CG2 ILE A 22 3.590 -5.953 3.282 1.00 0.00 C ATOM 342 CD1 ILE A 22 4.297 -2.782 5.359 1.00 0.00 C ATOM 0 H ILE A 22 5.082 -5.472 1.310 1.00 0.00 H new ATOM 0 HA ILE A 22 5.128 -2.920 2.858 1.00 0.00 H new ATOM 0 HB ILE A 22 3.082 -3.871 3.112 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.026 -4.510 5.502 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.738 -4.883 5.466 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.685 -6.234 3.821 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.445 -6.124 2.215 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.425 -6.557 3.636 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.348 -2.651 6.440 1.00 0.00 H new ATOM 0 HD12 ILE A 22 5.257 -2.516 4.916 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.518 -2.137 4.952 1.00 0.00 H new ATOM 354 N LEU A 23 7.497 -3.600 3.310 1.00 0.00 N ATOM 355 CA LEU A 23 8.852 -3.915 3.744 1.00 0.00 C ATOM 356 C LEU A 23 8.932 -4.105 5.259 1.00 0.00 C ATOM 357 O LEU A 23 9.753 -4.889 5.733 1.00 0.00 O ATOM 358 CB LEU A 23 9.791 -2.792 3.304 1.00 0.00 C ATOM 359 CG LEU A 23 9.652 -2.442 1.820 1.00 0.00 C ATOM 360 CD1 LEU A 23 10.622 -1.318 1.478 1.00 0.00 C ATOM 361 CD2 LEU A 23 9.969 -3.634 0.922 1.00 0.00 C ATOM 0 H LEU A 23 7.403 -2.669 2.904 1.00 0.00 H new ATOM 0 HA LEU A 23 9.152 -4.856 3.283 1.00 0.00 H new ATOM 0 HB2 LEU A 23 9.590 -1.903 3.902 1.00 0.00 H new ATOM 0 HB3 LEU A 23 10.821 -3.086 3.507 1.00 0.00 H new ATOM 0 HG LEU A 23 8.619 -2.141 1.647 1.00 0.00 H new ATOM 0 HD11 LEU A 23 10.527 -1.064 0.422 1.00 0.00 H new ATOM 0 HD12 LEU A 23 10.391 -0.442 2.084 1.00 0.00 H new ATOM 0 HD13 LEU A 23 11.642 -1.643 1.683 1.00 0.00 H new ATOM 0 HD21 LEU A 23 9.858 -3.342 -0.122 1.00 0.00 H new ATOM 0 HD22 LEU A 23 10.993 -3.962 1.101 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.282 -4.451 1.145 1.00 0.00 H new ATOM 373 N GLY A 24 8.092 -3.398 6.025 1.00 0.00 N ATOM 374 CA GLY A 24 8.047 -3.601 7.470 1.00 0.00 C ATOM 375 C GLY A 24 7.476 -2.402 8.219 1.00 0.00 C ATOM 376 O GLY A 24 6.912 -1.494 7.610 1.00 0.00 O ATOM 0 H GLY A 24 7.446 -2.692 5.672 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.443 -4.482 7.690 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.054 -3.805 7.835 1.00 0.00 H new ATOM 380 N VAL A 25 7.623 -2.400 9.548 1.00 0.00 N ATOM 381 CA VAL A 25 7.182 -1.292 10.387 1.00 0.00 C ATOM 382 C VAL A 25 8.332 -0.820 11.271 1.00 0.00 C ATOM 383 O VAL A 25 9.299 -1.555 11.487 1.00 0.00 O ATOM 384 CB VAL A 25 5.952 -1.666 11.235 1.00 0.00 C ATOM 385 CG1 VAL A 25 4.888 -2.383 10.395 1.00 0.00 C ATOM 386 CG2 VAL A 25 6.331 -2.559 12.415 1.00 0.00 C ATOM 0 H VAL A 25 8.051 -3.167 10.067 1.00 0.00 H new ATOM 0 HA VAL A 25 6.878 -0.475 9.733 1.00 0.00 H new ATOM 0 HB VAL A 25 5.543 -0.729 11.612 1.00 0.00 H new ATOM 0 HG11 VAL A 25 4.034 -2.632 11.025 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.563 -1.730 9.585 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.310 -3.297 9.977 1.00 0.00 H new ATOM 0 HG21 VAL A 25 5.437 -2.802 12.990 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.785 -3.478 12.045 1.00 0.00 H new ATOM 0 HG23 VAL A 25 7.042 -2.035 13.054 1.00 0.00 H new ATOM 396 N SER A 26 8.221 0.408 11.784 1.00 0.00 N ATOM 397 CA SER A 26 9.231 1.028 12.632 1.00 0.00 C ATOM 398 C SER A 26 8.508 1.939 13.614 1.00 0.00 C ATOM 399 O SER A 26 8.454 3.153 13.421 1.00 0.00 O ATOM 400 CB SER A 26 10.229 1.821 11.787 1.00 0.00 C ATOM 401 OG SER A 26 10.932 0.959 10.921 1.00 0.00 O ATOM 0 H SER A 26 7.412 1.006 11.616 1.00 0.00 H new ATOM 0 HA SER A 26 9.798 0.268 13.170 1.00 0.00 H new ATOM 0 HB2 SER A 26 9.703 2.580 11.207 1.00 0.00 H new ATOM 0 HB3 SER A 26 10.930 2.345 12.437 1.00 0.00 H new ATOM 0 HG SER A 26 11.566 1.480 10.385 1.00 0.00 H new ATOM 407 N GLY A 27 7.944 1.348 14.671 1.00 0.00 N ATOM 408 CA GLY A 27 7.081 2.080 15.576 1.00 0.00 C ATOM 409 C GLY A 27 5.726 2.226 14.910 1.00 0.00 C ATOM 410 O GLY A 27 5.064 1.227 14.627 1.00 0.00 O ATOM 0 H GLY A 27 8.075 0.366 14.913 1.00 0.00 H new ATOM 0 HA2 GLY A 27 6.985 1.551 16.524 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.504 3.059 15.799 1.00 0.00 H new ATOM 414 N GLN A 28 5.311 3.469 14.659 1.00 0.00 N ATOM 415 CA GLN A 28 4.060 3.747 13.970 1.00 0.00 C ATOM 416 C GLN A 28 4.339 4.044 12.507 1.00 0.00 C ATOM 417 O GLN A 28 3.412 4.313 11.745 1.00 0.00 O ATOM 418 CB GLN A 28 3.335 4.905 14.665 1.00 0.00 C ATOM 419 CG GLN A 28 2.403 4.360 15.749 1.00 0.00 C ATOM 420 CD GLN A 28 3.081 3.287 16.599 1.00 0.00 C ATOM 421 OE1 GLN A 28 3.848 3.594 17.507 1.00 0.00 O ATOM 422 NE2 GLN A 28 2.795 2.025 16.301 1.00 0.00 N ATOM 0 H GLN A 28 5.833 4.303 14.928 1.00 0.00 H new ATOM 0 HA GLN A 28 3.406 2.876 14.012 1.00 0.00 H new ATOM 0 HB2 GLN A 28 4.061 5.587 15.107 1.00 0.00 H new ATOM 0 HB3 GLN A 28 2.763 5.478 13.935 1.00 0.00 H new ATOM 0 HG2 GLN A 28 2.076 5.178 16.391 1.00 0.00 H new ATOM 0 HG3 GLN A 28 1.510 3.943 15.283 1.00 0.00 H new ATOM 0 HE21 GLN A 28 2.152 1.814 15.538 1.00 0.00 H new ATOM 0 HE22 GLN A 28 3.218 1.266 16.835 1.00 0.00 H new ATOM 431 N GLN A 29 5.613 3.994 12.107 1.00 0.00 N ATOM 432 CA GLN A 29 5.972 4.106 10.707 1.00 0.00 C ATOM 433 C GLN A 29 5.780 2.761 10.031 1.00 0.00 C ATOM 434 O GLN A 29 5.733 1.720 10.683 1.00 0.00 O ATOM 435 CB GLN A 29 7.436 4.492 10.545 1.00 0.00 C ATOM 436 CG GLN A 29 7.702 5.957 10.853 1.00 0.00 C ATOM 437 CD GLN A 29 9.112 6.299 10.409 1.00 0.00 C ATOM 438 OE1 GLN A 29 9.302 6.944 9.383 1.00 0.00 O ATOM 439 NE2 GLN A 29 10.109 5.865 11.170 1.00 0.00 N ATOM 0 H GLN A 29 6.405 3.877 12.739 1.00 0.00 H new ATOM 0 HA GLN A 29 5.338 4.872 10.260 1.00 0.00 H new ATOM 0 HB2 GLN A 29 8.044 3.872 11.203 1.00 0.00 H new ATOM 0 HB3 GLN A 29 7.752 4.278 9.524 1.00 0.00 H new ATOM 0 HG2 GLN A 29 6.979 6.589 10.337 1.00 0.00 H new ATOM 0 HG3 GLN A 29 7.586 6.146 11.920 1.00 0.00 H new ATOM 0 HE21 GLN A 29 9.910 5.331 12.016 1.00 0.00 H new ATOM 0 HE22 GLN A 29 11.074 6.065 10.909 1.00 0.00 H new ATOM 448 N VAL A 30 5.680 2.807 8.705 1.00 0.00 N ATOM 449 CA VAL A 30 5.574 1.619 7.883 1.00 0.00 C ATOM 450 C VAL A 30 6.412 1.848 6.637 1.00 0.00 C ATOM 451 O VAL A 30 6.135 2.776 5.880 1.00 0.00 O ATOM 452 CB VAL A 30 4.105 1.374 7.517 1.00 0.00 C ATOM 453 CG1 VAL A 30 3.994 0.090 6.704 1.00 0.00 C ATOM 454 CG2 VAL A 30 3.240 1.222 8.766 1.00 0.00 C ATOM 0 H VAL A 30 5.671 3.678 8.174 1.00 0.00 H new ATOM 0 HA VAL A 30 5.935 0.739 8.416 1.00 0.00 H new ATOM 0 HB VAL A 30 3.756 2.232 6.943 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.951 -0.086 6.443 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.585 0.184 5.793 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.367 -0.747 7.294 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.204 1.050 8.473 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.596 0.376 9.355 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.301 2.131 9.364 1.00 0.00 H new ATOM 464 N ARG A 31 7.438 1.018 6.420 1.00 0.00 N ATOM 465 CA ARG A 31 8.186 1.065 5.175 1.00 0.00 C ATOM 466 C ARG A 31 7.353 0.365 4.119 1.00 0.00 C ATOM 467 O ARG A 31 7.104 -0.841 4.218 1.00 0.00 O ATOM 468 CB ARG A 31 9.547 0.368 5.278 1.00 0.00 C ATOM 469 CG ARG A 31 10.617 1.258 5.907 1.00 0.00 C ATOM 470 CD ARG A 31 12.002 0.785 5.450 1.00 0.00 C ATOM 471 NE ARG A 31 12.304 -0.584 5.881 1.00 0.00 N ATOM 472 CZ ARG A 31 13.385 -1.255 5.472 1.00 0.00 C ATOM 473 NH1 ARG A 31 14.267 -0.691 4.651 1.00 0.00 N ATOM 474 NH2 ARG A 31 13.590 -2.503 5.883 1.00 0.00 N ATOM 0 H ARG A 31 7.761 0.316 7.086 1.00 0.00 H new ATOM 0 HA ARG A 31 8.380 2.108 4.925 1.00 0.00 H new ATOM 0 HB2 ARG A 31 9.442 -0.541 5.870 1.00 0.00 H new ATOM 0 HB3 ARG A 31 9.872 0.064 4.283 1.00 0.00 H new ATOM 0 HG2 ARG A 31 10.460 2.296 5.615 1.00 0.00 H new ATOM 0 HG3 ARG A 31 10.547 1.218 6.994 1.00 0.00 H new ATOM 0 HD2 ARG A 31 12.060 0.840 4.363 1.00 0.00 H new ATOM 0 HD3 ARG A 31 12.761 1.461 5.844 1.00 0.00 H new ATOM 0 HE ARG A 31 11.659 -1.045 6.523 1.00 0.00 H new ATOM 0 HH11 ARG A 31 14.122 0.265 4.326 1.00 0.00 H new ATOM 0 HH12 ARG A 31 15.088 -1.215 4.347 1.00 0.00 H new ATOM 0 HH21 ARG A 31 12.922 -2.949 6.511 1.00 0.00 H new ATOM 0 HH22 ARG A 31 14.415 -3.014 5.570 1.00 0.00 H new ATOM 488 N ILE A 32 6.927 1.137 3.121 1.00 0.00 N ATOM 489 CA ILE A 32 6.151 0.636 2.003 1.00 0.00 C ATOM 490 C ILE A 32 7.013 0.772 0.756 1.00 0.00 C ATOM 491 O ILE A 32 7.764 1.739 0.623 1.00 0.00 O ATOM 492 CB ILE A 32 4.856 1.446 1.864 1.00 0.00 C ATOM 493 CG1 ILE A 32 4.174 1.617 3.231 1.00 0.00 C ATOM 494 CG2 ILE A 32 3.932 0.743 0.866 1.00 0.00 C ATOM 495 CD1 ILE A 32 2.827 2.334 3.135 1.00 0.00 C ATOM 0 H ILE A 32 7.116 2.138 3.071 1.00 0.00 H new ATOM 0 HA ILE A 32 5.872 -0.407 2.154 1.00 0.00 H new ATOM 0 HB ILE A 32 5.087 2.444 1.490 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.027 0.636 3.684 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.833 2.179 3.893 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.009 1.313 0.761 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.428 0.674 -0.102 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.701 -0.259 1.227 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.392 2.426 4.130 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.973 3.327 2.709 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.154 1.761 2.497 1.00 0.00 H new ATOM 507 N GLY A 33 6.912 -0.190 -0.156 1.00 0.00 N ATOM 508 CA GLY A 33 7.674 -0.178 -1.390 1.00 0.00 C ATOM 509 C GLY A 33 6.712 -0.184 -2.561 1.00 0.00 C ATOM 510 O GLY A 33 5.602 -0.705 -2.458 1.00 0.00 O ATOM 0 H GLY A 33 6.298 -0.998 -0.056 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.312 0.705 -1.431 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.330 -1.047 -1.437 1.00 0.00 H new ATOM 514 N ILE A 34 7.137 0.393 -3.682 1.00 0.00 N ATOM 515 CA ILE A 34 6.315 0.463 -4.873 1.00 0.00 C ATOM 516 C ILE A 34 7.184 0.121 -6.072 1.00 0.00 C ATOM 517 O ILE A 34 8.367 0.459 -6.101 1.00 0.00 O ATOM 518 CB ILE A 34 5.703 1.868 -4.988 1.00 0.00 C ATOM 519 CG1 ILE A 34 4.893 2.184 -3.722 1.00 0.00 C ATOM 520 CG2 ILE A 34 4.819 1.939 -6.238 1.00 0.00 C ATOM 521 CD1 ILE A 34 4.328 3.603 -3.725 1.00 0.00 C ATOM 0 H ILE A 34 8.057 0.821 -3.784 1.00 0.00 H new ATOM 0 HA ILE A 34 5.491 -0.249 -4.827 1.00 0.00 H new ATOM 0 HB ILE A 34 6.495 2.611 -5.082 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.074 1.471 -3.632 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.528 2.052 -2.846 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.385 2.935 -6.320 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.422 1.732 -7.122 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.021 1.200 -6.162 1.00 0.00 H new ATOM 0 HD11 ILE A 34 3.765 3.772 -2.807 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.146 4.320 -3.786 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.669 3.730 -4.584 1.00 0.00 H new ATOM 533 N ASN A 35 6.594 -0.553 -7.058 1.00 0.00 N ATOM 534 CA ASN A 35 7.306 -0.979 -8.244 1.00 0.00 C ATOM 535 C ASN A 35 6.442 -0.695 -9.464 1.00 0.00 C ATOM 536 O ASN A 35 5.481 -1.414 -9.739 1.00 0.00 O ATOM 537 CB ASN A 35 7.660 -2.460 -8.116 1.00 0.00 C ATOM 538 CG ASN A 35 8.619 -2.924 -9.204 1.00 0.00 C ATOM 539 OD1 ASN A 35 8.942 -2.180 -10.129 1.00 0.00 O ATOM 540 ND2 ASN A 35 9.085 -4.165 -9.094 1.00 0.00 N ATOM 0 H ASN A 35 5.608 -0.815 -7.049 1.00 0.00 H new ATOM 0 HA ASN A 35 8.240 -0.428 -8.358 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.109 -2.640 -7.139 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.747 -3.054 -8.162 1.00 0.00 H new ATOM 0 HD21 ASN A 35 9.734 -4.530 -9.791 1.00 0.00 H new ATOM 0 HD22 ASN A 35 8.794 -4.752 -8.312 1.00 0.00 H new ATOM 547 N ALA A 36 6.799 0.368 -10.177 1.00 0.00 N ATOM 548 CA ALA A 36 6.067 0.830 -11.337 1.00 0.00 C ATOM 549 C ALA A 36 7.054 1.376 -12.369 1.00 0.00 C ATOM 550 O ALA A 36 8.157 1.782 -12.001 1.00 0.00 O ATOM 551 CB ALA A 36 5.098 1.926 -10.880 1.00 0.00 C ATOM 0 H ALA A 36 7.617 0.936 -9.957 1.00 0.00 H new ATOM 0 HA ALA A 36 5.506 0.016 -11.796 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.533 2.292 -11.737 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.410 1.518 -10.139 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.661 2.748 -10.438 1.00 0.00 H new ATOM 557 N PRO A 37 6.684 1.395 -13.656 1.00 0.00 N ATOM 558 CA PRO A 37 7.516 1.958 -14.703 1.00 0.00 C ATOM 559 C PRO A 37 7.544 3.478 -14.592 1.00 0.00 C ATOM 560 O PRO A 37 6.585 4.083 -14.112 1.00 0.00 O ATOM 561 CB PRO A 37 6.849 1.524 -16.006 1.00 0.00 C ATOM 562 CG PRO A 37 5.375 1.395 -15.627 1.00 0.00 C ATOM 563 CD PRO A 37 5.441 0.878 -14.193 1.00 0.00 C ATOM 0 HA PRO A 37 8.550 1.619 -14.641 1.00 0.00 H new ATOM 0 HB2 PRO A 37 6.997 2.259 -16.797 1.00 0.00 H new ATOM 0 HB3 PRO A 37 7.254 0.579 -16.369 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.856 2.351 -15.689 1.00 0.00 H new ATOM 0 HG3 PRO A 37 4.847 0.703 -16.283 1.00 0.00 H new ATOM 0 HD2 PRO A 37 4.587 1.224 -13.611 1.00 0.00 H new ATOM 0 HD3 PRO A 37 5.424 -0.212 -14.167 1.00 0.00 H new ATOM 571 N LYS A 38 8.634 4.105 -15.039 1.00 0.00 N ATOM 572 CA LYS A 38 8.731 5.559 -15.062 1.00 0.00 C ATOM 573 C LYS A 38 7.713 6.151 -16.044 1.00 0.00 C ATOM 574 O LYS A 38 7.590 7.371 -16.146 1.00 0.00 O ATOM 575 CB LYS A 38 10.163 5.984 -15.406 1.00 0.00 C ATOM 576 CG LYS A 38 11.165 5.555 -14.323 1.00 0.00 C ATOM 577 CD LYS A 38 10.956 6.284 -12.990 1.00 0.00 C ATOM 578 CE LYS A 38 11.190 7.793 -13.101 1.00 0.00 C ATOM 579 NZ LYS A 38 12.568 8.102 -13.532 1.00 0.00 N ATOM 0 H LYS A 38 9.462 3.624 -15.390 1.00 0.00 H new ATOM 0 HA LYS A 38 8.493 5.949 -14.072 1.00 0.00 H new ATOM 0 HB2 LYS A 38 10.452 5.546 -16.361 1.00 0.00 H new ATOM 0 HB3 LYS A 38 10.201 7.067 -15.527 1.00 0.00 H new ATOM 0 HG2 LYS A 38 11.078 4.481 -14.161 1.00 0.00 H new ATOM 0 HG3 LYS A 38 12.178 5.743 -14.678 1.00 0.00 H new ATOM 0 HD2 LYS A 38 9.941 6.103 -12.636 1.00 0.00 H new ATOM 0 HD3 LYS A 38 11.633 5.869 -12.243 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.482 8.220 -13.812 1.00 0.00 H new ATOM 0 HE3 LYS A 38 10.996 8.263 -12.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 12.753 9.117 -13.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 13.242 7.551 -12.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 12.681 7.856 -14.536 1.00 0.00 H new ATOM 593 N ASP A 39 6.987 5.288 -16.758 1.00 0.00 N ATOM 594 CA ASP A 39 5.874 5.663 -17.615 1.00 0.00 C ATOM 595 C ASP A 39 4.685 6.155 -16.784 1.00 0.00 C ATOM 596 O ASP A 39 3.709 6.656 -17.344 1.00 0.00 O ATOM 597 CB ASP A 39 5.459 4.445 -18.450 1.00 0.00 C ATOM 598 CG ASP A 39 6.526 4.109 -19.489 1.00 0.00 C ATOM 599 OD1 ASP A 39 6.495 4.739 -20.570 1.00 0.00 O ATOM 600 OD2 ASP A 39 7.363 3.228 -19.195 1.00 0.00 O ATOM 0 H ASP A 39 7.166 4.284 -16.752 1.00 0.00 H new ATOM 0 HA ASP A 39 6.187 6.477 -18.269 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.300 3.588 -17.796 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.511 4.646 -18.948 1.00 0.00 H new ATOM 605 N VAL A 40 4.758 6.020 -15.454 1.00 0.00 N ATOM 606 CA VAL A 40 3.728 6.500 -14.537 1.00 0.00 C ATOM 607 C VAL A 40 4.391 7.129 -13.313 1.00 0.00 C ATOM 608 O VAL A 40 5.561 6.866 -13.032 1.00 0.00 O ATOM 609 CB VAL A 40 2.774 5.374 -14.122 1.00 0.00 C ATOM 610 CG1 VAL A 40 2.160 4.695 -15.345 1.00 0.00 C ATOM 611 CG2 VAL A 40 3.468 4.307 -13.272 1.00 0.00 C ATOM 0 H VAL A 40 5.543 5.569 -14.984 1.00 0.00 H new ATOM 0 HA VAL A 40 3.130 7.253 -15.050 1.00 0.00 H new ATOM 0 HB VAL A 40 1.994 5.845 -13.525 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.488 3.901 -15.021 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.601 5.429 -15.926 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.952 4.271 -15.962 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.750 3.532 -13.004 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.285 3.864 -13.841 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.864 4.765 -12.365 1.00 0.00 H new ATOM 621 N ALA A 41 3.647 7.960 -12.576 1.00 0.00 N ATOM 622 CA ALA A 41 4.202 8.695 -11.448 1.00 0.00 C ATOM 623 C ALA A 41 3.807 8.057 -10.116 1.00 0.00 C ATOM 624 O ALA A 41 2.805 7.348 -10.031 1.00 0.00 O ATOM 625 CB ALA A 41 3.702 10.138 -11.518 1.00 0.00 C ATOM 0 H ALA A 41 2.657 8.137 -12.746 1.00 0.00 H new ATOM 0 HA ALA A 41 5.290 8.670 -11.505 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.108 10.705 -10.680 1.00 0.00 H new ATOM 0 HB2 ALA A 41 4.028 10.591 -12.454 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.613 10.149 -11.470 1.00 0.00 H new ATOM 631 N VAL A 42 4.600 8.320 -9.075 1.00 0.00 N ATOM 632 CA VAL A 42 4.300 7.879 -7.718 1.00 0.00 C ATOM 633 C VAL A 42 4.959 8.831 -6.725 1.00 0.00 C ATOM 634 O VAL A 42 6.130 9.174 -6.879 1.00 0.00 O ATOM 635 CB VAL A 42 4.772 6.427 -7.535 1.00 0.00 C ATOM 636 CG1 VAL A 42 6.206 6.212 -8.007 1.00 0.00 C ATOM 637 CG2 VAL A 42 4.701 5.979 -6.078 1.00 0.00 C ATOM 0 H VAL A 42 5.470 8.847 -9.153 1.00 0.00 H new ATOM 0 HA VAL A 42 3.226 7.899 -7.535 1.00 0.00 H new ATOM 0 HB VAL A 42 4.091 5.835 -8.146 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.487 5.170 -7.854 1.00 0.00 H new ATOM 0 HG12 VAL A 42 6.281 6.457 -9.067 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.877 6.856 -7.438 1.00 0.00 H new ATOM 0 HG21 VAL A 42 5.044 4.947 -5.997 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.337 6.621 -5.468 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.672 6.048 -5.726 1.00 0.00 H new ATOM 647 N HIS A 43 4.210 9.256 -5.701 1.00 0.00 N ATOM 648 CA HIS A 43 4.684 10.228 -4.722 1.00 0.00 C ATOM 649 C HIS A 43 3.907 10.107 -3.416 1.00 0.00 C ATOM 650 O HIS A 43 2.871 9.449 -3.367 1.00 0.00 O ATOM 651 CB HIS A 43 4.458 11.648 -5.249 1.00 0.00 C ATOM 652 CG HIS A 43 5.041 11.913 -6.607 1.00 0.00 C ATOM 653 ND1 HIS A 43 6.361 12.287 -6.862 1.00 0.00 N ATOM 654 CD2 HIS A 43 4.353 11.830 -7.783 1.00 0.00 C ATOM 655 CE1 HIS A 43 6.440 12.417 -8.195 1.00 0.00 C ATOM 656 NE2 HIS A 43 5.251 12.149 -8.774 1.00 0.00 N ATOM 0 H HIS A 43 3.258 8.932 -5.532 1.00 0.00 H new ATOM 0 HA HIS A 43 5.743 10.032 -4.551 1.00 0.00 H new ATOM 0 HB2 HIS A 43 3.386 11.841 -5.285 1.00 0.00 H new ATOM 0 HB3 HIS A 43 4.886 12.357 -4.540 1.00 0.00 H new ATOM 0 HD1 HIS A 43 7.106 12.431 -6.181 1.00 0.00 H new ATOM 0 HD2 HIS A 43 3.313 11.567 -7.909 1.00 0.00 H new ATOM 0 HE1 HIS A 43 7.334 12.698 -8.732 1.00 0.00 H new ATOM 664 N ARG A 44 4.402 10.747 -2.349 1.00 0.00 N ATOM 665 CA ARG A 44 3.634 10.854 -1.116 1.00 0.00 C ATOM 666 C ARG A 44 2.463 11.795 -1.376 1.00 0.00 C ATOM 667 O ARG A 44 2.505 12.589 -2.313 1.00 0.00 O ATOM 668 CB ARG A 44 4.509 11.398 0.020 1.00 0.00 C ATOM 669 CG ARG A 44 5.784 10.564 0.179 1.00 0.00 C ATOM 670 CD ARG A 44 6.490 10.834 1.513 1.00 0.00 C ATOM 671 NE ARG A 44 6.684 12.264 1.778 1.00 0.00 N ATOM 672 CZ ARG A 44 7.560 13.058 1.159 1.00 0.00 C ATOM 673 NH1 ARG A 44 8.354 12.606 0.192 1.00 0.00 N ATOM 674 NH2 ARG A 44 7.656 14.335 1.512 1.00 0.00 N ATOM 0 H ARG A 44 5.320 11.191 -2.320 1.00 0.00 H new ATOM 0 HA ARG A 44 3.273 9.871 -0.814 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.772 12.436 -0.184 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.946 11.390 0.953 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.535 9.505 0.110 1.00 0.00 H new ATOM 0 HG3 ARG A 44 6.466 10.785 -0.642 1.00 0.00 H new ATOM 0 HD2 ARG A 44 5.906 10.396 2.322 1.00 0.00 H new ATOM 0 HD3 ARG A 44 7.459 10.335 1.513 1.00 0.00 H new ATOM 0 HE ARG A 44 6.099 12.688 2.498 1.00 0.00 H new ATOM 0 HH11 ARG A 44 8.303 11.628 -0.095 1.00 0.00 H new ATOM 0 HH12 ARG A 44 9.014 13.237 -0.263 1.00 0.00 H new ATOM 0 HH21 ARG A 44 7.062 14.705 2.254 1.00 0.00 H new ATOM 0 HH22 ARG A 44 8.324 14.945 1.041 1.00 0.00 H new ATOM 688 N GLU A 45 1.407 11.724 -0.560 1.00 0.00 N ATOM 689 CA GLU A 45 0.248 12.592 -0.738 1.00 0.00 C ATOM 690 C GLU A 45 0.623 14.064 -0.538 1.00 0.00 C ATOM 691 O GLU A 45 -0.054 14.952 -1.048 1.00 0.00 O ATOM 692 CB GLU A 45 -0.860 12.122 0.211 1.00 0.00 C ATOM 693 CG GLU A 45 -2.183 12.865 0.003 1.00 0.00 C ATOM 694 CD GLU A 45 -2.312 14.134 0.844 1.00 0.00 C ATOM 695 OE1 GLU A 45 -1.393 14.422 1.644 1.00 0.00 O ATOM 696 OE2 GLU A 45 -3.345 14.821 0.681 1.00 0.00 O ATOM 0 H GLU A 45 1.334 11.077 0.225 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.123 12.523 -1.761 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -1.024 11.054 0.068 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.531 12.259 1.241 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -2.281 13.126 -1.051 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -3.008 12.195 0.244 1.00 0.00 H new ATOM 703 N GLU A 46 1.703 14.326 0.207 1.00 0.00 N ATOM 704 CA GLU A 46 2.197 15.674 0.464 1.00 0.00 C ATOM 705 C GLU A 46 3.118 16.169 -0.659 1.00 0.00 C ATOM 706 O GLU A 46 3.563 17.316 -0.621 1.00 0.00 O ATOM 707 CB GLU A 46 2.925 15.688 1.809 1.00 0.00 C ATOM 708 CG GLU A 46 4.133 14.750 1.796 1.00 0.00 C ATOM 709 CD GLU A 46 4.740 14.596 3.187 1.00 0.00 C ATOM 710 OE1 GLU A 46 4.138 13.859 3.996 1.00 0.00 O ATOM 711 OE2 GLU A 46 5.799 15.215 3.428 1.00 0.00 O ATOM 0 H GLU A 46 2.261 13.597 0.651 1.00 0.00 H new ATOM 0 HA GLU A 46 1.348 16.356 0.497 1.00 0.00 H new ATOM 0 HB2 GLU A 46 3.252 16.702 2.038 1.00 0.00 H new ATOM 0 HB3 GLU A 46 2.238 15.389 2.600 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.831 13.772 1.420 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.887 15.136 1.110 1.00 0.00 H new ATOM 718 N ILE A 47 3.404 15.318 -1.649 1.00 0.00 N ATOM 719 CA ILE A 47 4.250 15.658 -2.793 1.00 0.00 C ATOM 720 C ILE A 47 3.432 15.581 -4.078 1.00 0.00 C ATOM 721 O ILE A 47 3.667 16.356 -4.996 1.00 0.00 O ATOM 722 CB ILE A 47 5.453 14.708 -2.826 1.00 0.00 C ATOM 723 CG1 ILE A 47 6.387 14.951 -1.634 1.00 0.00 C ATOM 724 CG2 ILE A 47 6.234 14.868 -4.131 1.00 0.00 C ATOM 725 CD1 ILE A 47 6.879 16.396 -1.535 1.00 0.00 C ATOM 0 H ILE A 47 3.049 14.362 -1.677 1.00 0.00 H new ATOM 0 HA ILE A 47 4.623 16.678 -2.700 1.00 0.00 H new ATOM 0 HB ILE A 47 5.067 13.691 -2.763 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.866 14.688 -0.714 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.247 14.286 -1.714 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.083 14.185 -4.133 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.583 14.640 -4.975 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.593 15.893 -4.217 1.00 0.00 H new ATOM 0 HD11 ILE A 47 7.535 16.499 -0.671 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.428 16.656 -2.440 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.025 17.064 -1.424 1.00 0.00 H new ATOM 737 N TYR A 48 2.477 14.652 -4.157 1.00 0.00 N ATOM 738 CA TYR A 48 1.643 14.504 -5.338 1.00 0.00 C ATOM 739 C TYR A 48 0.933 15.809 -5.685 1.00 0.00 C ATOM 740 O TYR A 48 0.789 16.142 -6.859 1.00 0.00 O ATOM 741 CB TYR A 48 0.618 13.407 -5.072 1.00 0.00 C ATOM 742 CG TYR A 48 -0.504 13.395 -6.081 1.00 0.00 C ATOM 743 CD1 TYR A 48 -0.220 13.319 -7.453 1.00 0.00 C ATOM 744 CD2 TYR A 48 -1.831 13.475 -5.637 1.00 0.00 C ATOM 745 CE1 TYR A 48 -1.263 13.354 -8.390 1.00 0.00 C ATOM 746 CE2 TYR A 48 -2.877 13.492 -6.566 1.00 0.00 C ATOM 747 CZ TYR A 48 -2.601 13.435 -7.947 1.00 0.00 C ATOM 748 OH TYR A 48 -3.623 13.460 -8.849 1.00 0.00 O ATOM 0 H TYR A 48 2.266 13.991 -3.410 1.00 0.00 H new ATOM 0 HA TYR A 48 2.273 14.238 -6.187 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.119 12.439 -5.081 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.201 13.541 -4.074 1.00 0.00 H new ATOM 0 HD1 TYR A 48 0.803 13.233 -7.788 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -2.046 13.523 -4.580 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -1.043 13.319 -9.447 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -3.900 13.549 -6.224 1.00 0.00 H new ATOM 0 HH TYR A 48 -4.478 13.516 -8.373 1.00 0.00 H new ATOM 758 N GLN A 49 0.490 16.549 -4.666 1.00 0.00 N ATOM 759 CA GLN A 49 -0.207 17.806 -4.882 1.00 0.00 C ATOM 760 C GLN A 49 0.712 18.845 -5.526 1.00 0.00 C ATOM 761 O GLN A 49 0.232 19.807 -6.122 1.00 0.00 O ATOM 762 CB GLN A 49 -0.717 18.345 -3.541 1.00 0.00 C ATOM 763 CG GLN A 49 -1.701 17.368 -2.895 1.00 0.00 C ATOM 764 CD GLN A 49 -2.174 17.893 -1.543 1.00 0.00 C ATOM 765 OE1 GLN A 49 -2.893 18.884 -1.463 1.00 0.00 O ATOM 766 NE2 GLN A 49 -1.770 17.227 -0.466 1.00 0.00 N ATOM 0 H GLN A 49 0.605 16.294 -3.685 1.00 0.00 H new ATOM 0 HA GLN A 49 -1.043 17.620 -5.556 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.125 18.516 -2.870 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.203 19.309 -3.694 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.557 17.219 -3.553 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.225 16.396 -2.767 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.172 16.407 -0.568 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.058 17.536 0.462 1.00 0.00 H new ATOM 775 N ARG A 50 2.032 18.657 -5.407 1.00 0.00 N ATOM 776 CA ARG A 50 3.006 19.601 -5.928 1.00 0.00 C ATOM 777 C ARG A 50 3.326 19.315 -7.391 1.00 0.00 C ATOM 778 O ARG A 50 3.540 20.250 -8.157 1.00 0.00 O ATOM 779 CB ARG A 50 4.270 19.514 -5.068 1.00 0.00 C ATOM 780 CG ARG A 50 5.313 20.509 -5.556 1.00 0.00 C ATOM 781 CD ARG A 50 6.508 20.475 -4.611 1.00 0.00 C ATOM 782 NE ARG A 50 6.187 21.107 -3.326 1.00 0.00 N ATOM 783 CZ ARG A 50 6.703 20.744 -2.148 1.00 0.00 C ATOM 784 NH1 ARG A 50 7.563 19.733 -2.058 1.00 0.00 N ATOM 785 NH2 ARG A 50 6.352 21.396 -1.042 1.00 0.00 N ATOM 0 H ARG A 50 2.446 17.846 -4.947 1.00 0.00 H new ATOM 0 HA ARG A 50 2.594 20.609 -5.884 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.023 19.718 -4.026 1.00 0.00 H new ATOM 0 HB3 ARG A 50 4.676 18.503 -5.108 1.00 0.00 H new ATOM 0 HG2 ARG A 50 5.627 20.259 -6.570 1.00 0.00 H new ATOM 0 HG3 ARG A 50 4.889 21.513 -5.592 1.00 0.00 H new ATOM 0 HD2 ARG A 50 6.814 19.442 -4.445 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.353 20.988 -5.070 1.00 0.00 H new ATOM 0 HE ARG A 50 5.521 21.880 -3.333 1.00 0.00 H new ATOM 0 HH11 ARG A 50 7.838 19.221 -2.896 1.00 0.00 H new ATOM 0 HH12 ARG A 50 7.947 19.469 -1.151 1.00 0.00 H new ATOM 0 HH21 ARG A 50 5.691 22.171 -1.095 1.00 0.00 H new ATOM 0 HH22 ARG A 50 6.744 21.121 -0.142 1.00 0.00 H new ATOM 799 N ILE A 51 3.356 18.042 -7.799 1.00 0.00 N ATOM 800 CA ILE A 51 3.586 17.704 -9.199 1.00 0.00 C ATOM 801 C ILE A 51 2.409 18.218 -10.032 1.00 0.00 C ATOM 802 O ILE A 51 2.510 18.347 -11.252 1.00 0.00 O ATOM 803 CB ILE A 51 3.848 16.198 -9.375 1.00 0.00 C ATOM 804 CG1 ILE A 51 5.241 15.829 -8.851 1.00 0.00 C ATOM 805 CG2 ILE A 51 3.839 15.804 -10.854 1.00 0.00 C ATOM 806 CD1 ILE A 51 5.307 15.785 -7.328 1.00 0.00 C ATOM 0 H ILE A 51 3.225 17.239 -7.184 1.00 0.00 H new ATOM 0 HA ILE A 51 4.490 18.195 -9.559 1.00 0.00 H new ATOM 0 HB ILE A 51 3.061 15.681 -8.826 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.529 14.857 -9.251 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.967 16.553 -9.221 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.027 14.734 -10.947 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.867 16.041 -11.288 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.616 16.356 -11.382 1.00 0.00 H new ATOM 0 HD11 ILE A 51 6.317 15.519 -7.015 1.00 0.00 H new ATOM 0 HD12 ILE A 51 5.048 16.764 -6.924 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.603 15.041 -6.955 1.00 0.00 H new ATOM 1635 N MET C 1 12.076 -0.073 -7.516 1.00 0.00 N ATOM 1636 CA MET C 1 11.500 0.054 -6.162 1.00 0.00 C ATOM 1637 C MET C 1 11.635 1.479 -5.657 1.00 0.00 C ATOM 1638 O MET C 1 12.729 2.028 -5.670 1.00 0.00 O ATOM 1639 CB MET C 1 12.219 -0.871 -5.175 1.00 0.00 C ATOM 1640 CG MET C 1 11.669 -0.683 -3.761 1.00 0.00 C ATOM 1641 SD MET C 1 10.045 -1.416 -3.486 1.00 0.00 S ATOM 1642 CE MET C 1 10.619 -3.102 -3.176 1.00 0.00 C ATOM 0 H1 MET C 1 11.975 -1.054 -7.846 1.00 0.00 H new ATOM 0 H2 MET C 1 11.575 0.564 -8.167 1.00 0.00 H new ATOM 0 H3 MET C 1 13.084 0.181 -7.490 1.00 0.00 H new ATOM 0 HA MET C 1 10.448 -0.222 -6.229 1.00 0.00 H new ATOM 0 HB2 MET C 1 12.094 -1.909 -5.484 1.00 0.00 H new ATOM 0 HB3 MET C 1 13.289 -0.662 -5.186 1.00 0.00 H new ATOM 0 HG2 MET C 1 12.374 -1.115 -3.050 1.00 0.00 H new ATOM 0 HG3 MET C 1 11.613 0.384 -3.546 1.00 0.00 H new ATOM 0 HE1 MET C 1 9.766 -3.739 -2.942 1.00 0.00 H new ATOM 0 HE2 MET C 1 11.124 -3.483 -4.063 1.00 0.00 H new ATOM 0 HE3 MET C 1 11.313 -3.101 -2.335 1.00 0.00 H new ATOM 1654 N LEU C 2 10.531 2.073 -5.206 1.00 0.00 N ATOM 1655 CA LEU C 2 10.533 3.391 -4.593 1.00 0.00 C ATOM 1656 C LEU C 2 9.910 3.236 -3.206 1.00 0.00 C ATOM 1657 O LEU C 2 8.698 3.036 -3.083 1.00 0.00 O ATOM 1658 CB LEU C 2 9.773 4.356 -5.509 1.00 0.00 C ATOM 1659 CG LEU C 2 9.882 5.841 -5.136 1.00 0.00 C ATOM 1660 CD1 LEU C 2 8.613 6.283 -4.425 1.00 0.00 C ATOM 1661 CD2 LEU C 2 11.059 6.174 -4.219 1.00 0.00 C ATOM 0 H LEU C 2 9.606 1.646 -5.258 1.00 0.00 H new ATOM 0 HA LEU C 2 11.532 3.809 -4.469 1.00 0.00 H new ATOM 0 HB2 LEU C 2 10.138 4.227 -6.528 1.00 0.00 H new ATOM 0 HB3 LEU C 2 8.720 4.075 -5.510 1.00 0.00 H new ATOM 0 HG LEU C 2 10.037 6.366 -6.079 1.00 0.00 H new ATOM 0 HD11 LEU C 2 8.692 7.338 -4.161 1.00 0.00 H new ATOM 0 HD12 LEU C 2 7.757 6.137 -5.084 1.00 0.00 H new ATOM 0 HD13 LEU C 2 8.478 5.691 -3.519 1.00 0.00 H new ATOM 0 HD21 LEU C 2 11.062 7.243 -4.005 1.00 0.00 H new ATOM 0 HD22 LEU C 2 10.963 5.617 -3.287 1.00 0.00 H new ATOM 0 HD23 LEU C 2 11.992 5.900 -4.711 1.00 0.00 H new ATOM 1673 N ILE C 3 10.740 3.321 -2.165 1.00 0.00 N ATOM 1674 CA ILE C 3 10.309 3.181 -0.787 1.00 0.00 C ATOM 1675 C ILE C 3 9.792 4.517 -0.276 1.00 0.00 C ATOM 1676 O ILE C 3 10.302 5.573 -0.650 1.00 0.00 O ATOM 1677 CB ILE C 3 11.465 2.721 0.117 1.00 0.00 C ATOM 1678 CG1 ILE C 3 11.918 1.295 -0.200 1.00 0.00 C ATOM 1679 CG2 ILE C 3 10.999 2.722 1.579 1.00 0.00 C ATOM 1680 CD1 ILE C 3 12.969 1.261 -1.304 1.00 0.00 C ATOM 0 H ILE C 3 11.741 3.491 -2.264 1.00 0.00 H new ATOM 0 HA ILE C 3 9.520 2.429 -0.758 1.00 0.00 H new ATOM 0 HB ILE C 3 12.292 3.410 -0.055 1.00 0.00 H new ATOM 0 HG12 ILE C 3 12.324 0.835 0.701 1.00 0.00 H new ATOM 0 HG13 ILE C 3 11.056 0.700 -0.502 1.00 0.00 H new ATOM 0 HG21 ILE C 3 11.817 2.396 2.222 1.00 0.00 H new ATOM 0 HG22 ILE C 3 10.693 3.729 1.863 1.00 0.00 H new ATOM 0 HG23 ILE C 3 10.155 2.041 1.692 1.00 0.00 H new ATOM 0 HD11 ILE C 3 13.262 0.229 -1.496 1.00 0.00 H new ATOM 0 HD12 ILE C 3 12.555 1.696 -2.214 1.00 0.00 H new ATOM 0 HD13 ILE C 3 13.843 1.834 -0.992 1.00 0.00 H new ATOM 1692 N LEU C 4 8.778 4.458 0.588 1.00 0.00 N ATOM 1693 CA LEU C 4 8.224 5.609 1.273 1.00 0.00 C ATOM 1694 C LEU C 4 7.843 5.172 2.684 1.00 0.00 C ATOM 1695 O LEU C 4 7.235 4.118 2.859 1.00 0.00 O ATOM 1696 CB LEU C 4 6.985 6.110 0.522 1.00 0.00 C ATOM 1697 CG LEU C 4 7.293 6.615 -0.894 1.00 0.00 C ATOM 1698 CD1 LEU C 4 5.988 6.925 -1.621 1.00 0.00 C ATOM 1699 CD2 LEU C 4 8.143 7.887 -0.856 1.00 0.00 C ATOM 0 H LEU C 4 8.313 3.583 0.832 1.00 0.00 H new ATOM 0 HA LEU C 4 8.951 6.420 1.313 1.00 0.00 H new ATOM 0 HB2 LEU C 4 6.255 5.303 0.461 1.00 0.00 H new ATOM 0 HB3 LEU C 4 6.523 6.915 1.094 1.00 0.00 H new ATOM 0 HG LEU C 4 7.847 5.834 -1.415 1.00 0.00 H new ATOM 0 HD11 LEU C 4 6.208 7.284 -2.627 1.00 0.00 H new ATOM 0 HD12 LEU C 4 5.382 6.021 -1.683 1.00 0.00 H new ATOM 0 HD13 LEU C 4 5.440 7.692 -1.074 1.00 0.00 H new ATOM 0 HD21 LEU C 4 8.345 8.220 -1.874 1.00 0.00 H new ATOM 0 HD22 LEU C 4 7.605 8.668 -0.318 1.00 0.00 H new ATOM 0 HD23 LEU C 4 9.085 7.680 -0.349 1.00 0.00 H new ATOM 1711 N THR C 5 8.188 5.976 3.691 1.00 0.00 N ATOM 1712 CA THR C 5 7.757 5.708 5.055 1.00 0.00 C ATOM 1713 C THR C 5 6.479 6.486 5.308 1.00 0.00 C ATOM 1714 O THR C 5 6.314 7.601 4.808 1.00 0.00 O ATOM 1715 CB THR C 5 8.822 6.120 6.075 1.00 0.00 C ATOM 1716 OG1 THR C 5 9.220 7.455 5.870 1.00 0.00 O ATOM 1717 CG2 THR C 5 10.044 5.215 5.963 1.00 0.00 C ATOM 0 H THR C 5 8.762 6.813 3.584 1.00 0.00 H new ATOM 0 HA THR C 5 7.591 4.637 5.171 1.00 0.00 H new ATOM 0 HB THR C 5 8.386 6.024 7.069 1.00 0.00 H new ATOM 0 HG1 THR C 5 9.899 7.699 6.533 1.00 0.00 H new ATOM 0 HG21 THR C 5 10.792 5.521 6.695 1.00 0.00 H new ATOM 0 HG22 THR C 5 9.751 4.183 6.154 1.00 0.00 H new ATOM 0 HG23 THR C 5 10.464 5.293 4.960 1.00 0.00 H new ATOM 1725 N ARG C 6 5.564 5.908 6.086 1.00 0.00 N ATOM 1726 CA ARG C 6 4.301 6.567 6.379 1.00 0.00 C ATOM 1727 C ARG C 6 3.828 6.198 7.779 1.00 0.00 C ATOM 1728 O ARG C 6 3.769 5.017 8.114 1.00 0.00 O ATOM 1729 CB ARG C 6 3.301 6.125 5.305 1.00 0.00 C ATOM 1730 CG ARG C 6 2.102 7.065 5.166 1.00 0.00 C ATOM 1731 CD ARG C 6 2.387 8.284 4.279 1.00 0.00 C ATOM 1732 NE ARG C 6 3.313 9.243 4.889 1.00 0.00 N ATOM 1733 CZ ARG C 6 3.357 10.541 4.568 1.00 0.00 C ATOM 1734 NH1 ARG C 6 2.545 11.050 3.643 1.00 0.00 N ATOM 1735 NH2 ARG C 6 4.221 11.350 5.169 1.00 0.00 N ATOM 0 H ARG C 6 5.676 4.992 6.520 1.00 0.00 H new ATOM 0 HA ARG C 6 4.405 7.652 6.360 1.00 0.00 H new ATOM 0 HB2 ARG C 6 3.815 6.060 4.346 1.00 0.00 H new ATOM 0 HB3 ARG C 6 2.942 5.124 5.543 1.00 0.00 H new ATOM 0 HG2 ARG C 6 1.261 6.511 4.750 1.00 0.00 H new ATOM 0 HG3 ARG C 6 1.800 7.407 6.156 1.00 0.00 H new ATOM 0 HD2 ARG C 6 2.800 7.945 3.329 1.00 0.00 H new ATOM 0 HD3 ARG C 6 1.447 8.789 4.055 1.00 0.00 H new ATOM 0 HE ARG C 6 3.961 8.901 5.599 1.00 0.00 H new ATOM 0 HH11 ARG C 6 1.875 10.447 3.166 1.00 0.00 H new ATOM 0 HH12 ARG C 6 2.594 12.042 3.412 1.00 0.00 H new ATOM 0 HH21 ARG C 6 4.855 10.983 5.879 1.00 0.00 H new ATOM 0 HH22 ARG C 6 4.251 12.339 4.921 1.00 0.00 H new ATOM 1749 N LYS C 7 3.485 7.199 8.595 1.00 0.00 N ATOM 1750 CA LYS C 7 2.909 6.958 9.912 1.00 0.00 C ATOM 1751 C LYS C 7 1.456 6.544 9.722 1.00 0.00 C ATOM 1752 O LYS C 7 0.796 7.009 8.793 1.00 0.00 O ATOM 1753 CB LYS C 7 2.989 8.236 10.763 1.00 0.00 C ATOM 1754 CG LYS C 7 3.576 8.012 12.163 1.00 0.00 C ATOM 1755 CD LYS C 7 5.049 7.600 12.111 1.00 0.00 C ATOM 1756 CE LYS C 7 5.673 7.563 13.505 1.00 0.00 C ATOM 1757 NZ LYS C 7 5.725 8.907 14.109 1.00 0.00 N ATOM 0 H LYS C 7 3.599 8.185 8.361 1.00 0.00 H new ATOM 0 HA LYS C 7 3.459 6.171 10.428 1.00 0.00 H new ATOM 0 HB2 LYS C 7 3.596 8.973 10.238 1.00 0.00 H new ATOM 0 HB3 LYS C 7 1.989 8.659 10.862 1.00 0.00 H new ATOM 0 HG2 LYS C 7 3.476 8.926 12.748 1.00 0.00 H new ATOM 0 HG3 LYS C 7 3.002 7.241 12.677 1.00 0.00 H new ATOM 0 HD2 LYS C 7 5.136 6.618 11.647 1.00 0.00 H new ATOM 0 HD3 LYS C 7 5.601 8.300 11.483 1.00 0.00 H new ATOM 0 HE2 LYS C 7 5.095 6.897 14.146 1.00 0.00 H new ATOM 0 HE3 LYS C 7 6.680 7.151 13.443 1.00 0.00 H new ATOM 0 HZ1 LYS C 7 6.395 8.904 14.904 1.00 0.00 H new ATOM 0 HZ2 LYS C 7 6.037 9.596 13.396 1.00 0.00 H new ATOM 0 HZ3 LYS C 7 4.780 9.170 14.454 1.00 0.00 H new ATOM 1771 N VAL C 8 0.941 5.666 10.588 1.00 0.00 N ATOM 1772 CA VAL C 8 -0.442 5.222 10.467 1.00 0.00 C ATOM 1773 C VAL C 8 -1.375 6.430 10.484 1.00 0.00 C ATOM 1774 O VAL C 8 -1.322 7.248 11.401 1.00 0.00 O ATOM 1775 CB VAL C 8 -0.795 4.200 11.558 1.00 0.00 C ATOM 1776 CG1 VAL C 8 0.096 2.965 11.418 1.00 0.00 C ATOM 1777 CG2 VAL C 8 -0.643 4.746 12.978 1.00 0.00 C ATOM 0 H VAL C 8 1.455 5.256 11.368 1.00 0.00 H new ATOM 0 HA VAL C 8 -0.570 4.711 9.513 1.00 0.00 H new ATOM 0 HB VAL C 8 -1.846 3.952 11.412 1.00 0.00 H new ATOM 0 HG11 VAL C 8 -0.158 2.243 12.194 1.00 0.00 H new ATOM 0 HG12 VAL C 8 -0.059 2.514 10.438 1.00 0.00 H new ATOM 0 HG13 VAL C 8 1.141 3.257 11.522 1.00 0.00 H new ATOM 0 HG21 VAL C 8 -0.909 3.971 13.696 1.00 0.00 H new ATOM 0 HG22 VAL C 8 0.390 5.053 13.141 1.00 0.00 H new ATOM 0 HG23 VAL C 8 -1.302 5.604 13.110 1.00 0.00 H new ATOM 1787 N GLY C 9 -2.236 6.542 9.464 1.00 0.00 N ATOM 1788 CA GLY C 9 -3.193 7.637 9.364 1.00 0.00 C ATOM 1789 C GLY C 9 -2.897 8.601 8.215 1.00 0.00 C ATOM 1790 O GLY C 9 -3.673 9.528 7.997 1.00 0.00 O ATOM 0 H GLY C 9 -2.284 5.877 8.692 1.00 0.00 H new ATOM 0 HA2 GLY C 9 -4.193 7.224 9.233 1.00 0.00 H new ATOM 0 HA3 GLY C 9 -3.197 8.192 10.302 1.00 0.00 H new ATOM 1794 N GLU C 10 -1.800 8.399 7.477 1.00 0.00 N ATOM 1795 CA GLU C 10 -1.442 9.280 6.367 1.00 0.00 C ATOM 1796 C GLU C 10 -1.580 8.555 5.025 1.00 0.00 C ATOM 1797 O GLU C 10 -1.985 7.395 4.987 1.00 0.00 O ATOM 1798 CB GLU C 10 -0.028 9.831 6.577 1.00 0.00 C ATOM 1799 CG GLU C 10 0.075 10.659 7.863 1.00 0.00 C ATOM 1800 CD GLU C 10 -0.855 11.874 7.847 1.00 0.00 C ATOM 1801 OE1 GLU C 10 -0.922 12.542 6.791 1.00 0.00 O ATOM 1802 OE2 GLU C 10 -1.493 12.124 8.892 1.00 0.00 O ATOM 0 H GLU C 10 -1.146 7.632 7.631 1.00 0.00 H new ATOM 0 HA GLU C 10 -2.133 10.122 6.343 1.00 0.00 H new ATOM 0 HB2 GLU C 10 0.682 9.005 6.619 1.00 0.00 H new ATOM 0 HB3 GLU C 10 0.252 10.449 5.724 1.00 0.00 H new ATOM 0 HG2 GLU C 10 -0.168 10.029 8.719 1.00 0.00 H new ATOM 0 HG3 GLU C 10 1.104 10.993 7.996 1.00 0.00 H new ATOM 1809 N SER C 11 -1.250 9.233 3.918 1.00 0.00 N ATOM 1810 CA SER C 11 -1.532 8.716 2.583 1.00 0.00 C ATOM 1811 C SER C 11 -0.373 8.895 1.604 1.00 0.00 C ATOM 1812 O SER C 11 0.605 9.587 1.886 1.00 0.00 O ATOM 1813 CB SER C 11 -2.777 9.417 2.036 1.00 0.00 C ATOM 1814 OG SER C 11 -3.898 9.167 2.859 1.00 0.00 O ATOM 0 H SER C 11 -0.787 10.142 3.926 1.00 0.00 H new ATOM 0 HA SER C 11 -1.692 7.642 2.679 1.00 0.00 H new ATOM 0 HB2 SER C 11 -2.598 10.490 1.975 1.00 0.00 H new ATOM 0 HB3 SER C 11 -2.980 9.069 1.023 1.00 0.00 H new ATOM 0 HG SER C 11 -4.682 9.626 2.492 1.00 0.00 H new ATOM 1820 N ILE C 12 -0.517 8.248 0.443 1.00 0.00 N ATOM 1821 CA ILE C 12 0.444 8.198 -0.655 1.00 0.00 C ATOM 1822 C ILE C 12 -0.360 8.209 -1.961 1.00 0.00 C ATOM 1823 O ILE C 12 -1.570 7.992 -1.932 1.00 0.00 O ATOM 1824 CB ILE C 12 1.311 6.931 -0.506 1.00 0.00 C ATOM 1825 CG1 ILE C 12 2.101 7.004 0.810 1.00 0.00 C ATOM 1826 CG2 ILE C 12 2.280 6.752 -1.677 1.00 0.00 C ATOM 1827 CD1 ILE C 12 2.999 5.785 1.022 1.00 0.00 C ATOM 0 H ILE C 12 -1.361 7.714 0.236 1.00 0.00 H new ATOM 0 HA ILE C 12 1.122 9.051 -0.652 1.00 0.00 H new ATOM 0 HB ILE C 12 0.642 6.071 -0.500 1.00 0.00 H new ATOM 0 HG12 ILE C 12 2.712 7.907 0.814 1.00 0.00 H new ATOM 0 HG13 ILE C 12 1.404 7.088 1.644 1.00 0.00 H new ATOM 0 HG21 ILE C 12 2.869 5.847 -1.527 1.00 0.00 H new ATOM 0 HG22 ILE C 12 1.716 6.669 -2.606 1.00 0.00 H new ATOM 0 HG23 ILE C 12 2.946 7.613 -1.733 1.00 0.00 H new ATOM 0 HD11 ILE C 12 3.534 5.887 1.966 1.00 0.00 H new ATOM 0 HD12 ILE C 12 2.388 4.883 1.047 1.00 0.00 H new ATOM 0 HD13 ILE C 12 3.716 5.715 0.204 1.00 0.00 H new ATOM 1839 N ASN C 13 0.274 8.454 -3.110 1.00 0.00 N ATOM 1840 CA ASN C 13 -0.423 8.545 -4.388 1.00 0.00 C ATOM 1841 C ASN C 13 0.334 7.842 -5.509 1.00 0.00 C ATOM 1842 O ASN C 13 1.558 7.705 -5.466 1.00 0.00 O ATOM 1843 CB ASN C 13 -0.620 10.019 -4.737 1.00 0.00 C ATOM 1844 CG ASN C 13 -1.856 10.574 -4.052 1.00 0.00 C ATOM 1845 OD1 ASN C 13 -1.761 11.284 -3.056 1.00 0.00 O ATOM 1846 ND2 ASN C 13 -3.028 10.247 -4.587 1.00 0.00 N ATOM 0 H ASN C 13 1.282 8.594 -3.177 1.00 0.00 H new ATOM 0 HA ASN C 13 -1.385 8.043 -4.288 1.00 0.00 H new ATOM 0 HB2 ASN C 13 0.257 10.590 -4.433 1.00 0.00 H new ATOM 0 HB3 ASN C 13 -0.715 10.132 -5.817 1.00 0.00 H new ATOM 0 HD21 ASN C 13 -3.893 10.589 -4.168 1.00 0.00 H new ATOM 0 HD22 ASN C 13 -3.062 9.654 -5.416 1.00 0.00 H new ATOM 1853 N ILE C 14 -0.417 7.401 -6.522 1.00 0.00 N ATOM 1854 CA ILE C 14 0.110 6.703 -7.685 1.00 0.00 C ATOM 1855 C ILE C 14 -0.664 7.153 -8.922 1.00 0.00 C ATOM 1856 O ILE C 14 -1.867 7.415 -8.846 1.00 0.00 O ATOM 1857 CB ILE C 14 -0.023 5.184 -7.484 1.00 0.00 C ATOM 1858 CG1 ILE C 14 0.686 4.746 -6.190 1.00 0.00 C ATOM 1859 CG2 ILE C 14 0.574 4.446 -8.690 1.00 0.00 C ATOM 1860 CD1 ILE C 14 0.548 3.244 -5.936 1.00 0.00 C ATOM 0 H ILE C 14 -1.429 7.525 -6.552 1.00 0.00 H new ATOM 0 HA ILE C 14 1.166 6.939 -7.817 1.00 0.00 H new ATOM 0 HB ILE C 14 -1.080 4.933 -7.398 1.00 0.00 H new ATOM 0 HG12 ILE C 14 1.743 5.007 -6.250 1.00 0.00 H new ATOM 0 HG13 ILE C 14 0.270 5.295 -5.346 1.00 0.00 H new ATOM 0 HG21 ILE C 14 0.477 3.370 -8.543 1.00 0.00 H new ATOM 0 HG22 ILE C 14 0.041 4.738 -9.595 1.00 0.00 H new ATOM 0 HG23 ILE C 14 1.628 4.705 -8.790 1.00 0.00 H new ATOM 0 HD11 ILE C 14 1.064 2.982 -5.012 1.00 0.00 H new ATOM 0 HD12 ILE C 14 -0.507 2.985 -5.848 1.00 0.00 H new ATOM 0 HD13 ILE C 14 0.989 2.693 -6.767 1.00 0.00 H new ATOM 1872 N GLY C 15 0.024 7.241 -10.061 1.00 0.00 N ATOM 1873 CA GLY C 15 -0.584 7.680 -11.305 1.00 0.00 C ATOM 1874 C GLY C 15 -1.216 9.058 -11.131 1.00 0.00 C ATOM 1875 O GLY C 15 -0.659 9.928 -10.464 1.00 0.00 O ATOM 0 H GLY C 15 1.014 7.010 -10.141 1.00 0.00 H new ATOM 0 HA2 GLY C 15 0.169 7.715 -12.093 1.00 0.00 H new ATOM 0 HA3 GLY C 15 -1.342 6.963 -11.620 1.00 0.00 H new ATOM 1879 N ASP C 16 -2.390 9.243 -11.739 1.00 0.00 N ATOM 1880 CA ASP C 16 -3.154 10.480 -11.658 1.00 0.00 C ATOM 1881 C ASP C 16 -4.601 10.161 -11.273 1.00 0.00 C ATOM 1882 O ASP C 16 -5.473 11.030 -11.336 1.00 0.00 O ATOM 1883 CB ASP C 16 -3.050 11.205 -12.999 1.00 0.00 C ATOM 1884 CG ASP C 16 -3.674 12.599 -12.958 1.00 0.00 C ATOM 1885 OD1 ASP C 16 -3.186 13.427 -12.155 1.00 0.00 O ATOM 1886 OD2 ASP C 16 -4.631 12.825 -13.730 1.00 0.00 O ATOM 0 H ASP C 16 -2.839 8.525 -12.308 1.00 0.00 H new ATOM 0 HA ASP C 16 -2.756 11.140 -10.887 1.00 0.00 H new ATOM 0 HB2 ASP C 16 -2.001 11.288 -13.284 1.00 0.00 H new ATOM 0 HB3 ASP C 16 -3.543 10.612 -13.769 1.00 0.00 H new ATOM 1891 N ASP C 17 -4.861 8.911 -10.879 1.00 0.00 N ATOM 1892 CA ASP C 17 -6.194 8.425 -10.562 1.00 0.00 C ATOM 1893 C ASP C 17 -6.192 7.450 -9.377 1.00 0.00 C ATOM 1894 O ASP C 17 -7.218 6.827 -9.109 1.00 0.00 O ATOM 1895 CB ASP C 17 -6.793 7.737 -11.796 1.00 0.00 C ATOM 1896 CG ASP C 17 -6.941 8.702 -12.972 1.00 0.00 C ATOM 1897 OD1 ASP C 17 -7.939 9.459 -12.977 1.00 0.00 O ATOM 1898 OD2 ASP C 17 -6.054 8.675 -13.859 1.00 0.00 O ATOM 0 H ASP C 17 -4.135 8.202 -10.772 1.00 0.00 H new ATOM 0 HA ASP C 17 -6.800 9.285 -10.275 1.00 0.00 H new ATOM 0 HB2 ASP C 17 -6.158 6.902 -12.090 1.00 0.00 H new ATOM 0 HB3 ASP C 17 -7.768 7.322 -11.542 1.00 0.00 H new ATOM 1903 N ILE C 18 -5.069 7.296 -8.664 1.00 0.00 N ATOM 1904 CA ILE C 18 -5.017 6.356 -7.549 1.00 0.00 C ATOM 1905 C ILE C 18 -4.437 7.023 -6.300 1.00 0.00 C ATOM 1906 O ILE C 18 -3.576 7.901 -6.382 1.00 0.00 O ATOM 1907 CB ILE C 18 -4.207 5.107 -7.936 1.00 0.00 C ATOM 1908 CG1 ILE C 18 -4.769 4.403 -9.177 1.00 0.00 C ATOM 1909 CG2 ILE C 18 -4.223 4.095 -6.784 1.00 0.00 C ATOM 1910 CD1 ILE C 18 -4.109 4.919 -10.458 1.00 0.00 C ATOM 0 H ILE C 18 -4.201 7.803 -8.839 1.00 0.00 H new ATOM 0 HA ILE C 18 -6.035 6.043 -7.316 1.00 0.00 H new ATOM 0 HB ILE C 18 -3.196 5.451 -8.153 1.00 0.00 H new ATOM 0 HG12 ILE C 18 -4.609 3.328 -9.091 1.00 0.00 H new ATOM 0 HG13 ILE C 18 -5.846 4.562 -9.231 1.00 0.00 H new ATOM 0 HG21 ILE C 18 -3.647 3.213 -7.066 1.00 0.00 H new ATOM 0 HG22 ILE C 18 -3.782 4.548 -5.896 1.00 0.00 H new ATOM 0 HG23 ILE C 18 -5.251 3.804 -6.570 1.00 0.00 H new ATOM 0 HD11 ILE C 18 -4.530 4.400 -11.319 1.00 0.00 H new ATOM 0 HD12 ILE C 18 -4.291 5.989 -10.555 1.00 0.00 H new ATOM 0 HD13 ILE C 18 -3.035 4.736 -10.413 1.00 0.00 H new ATOM 1922 N THR C 19 -4.923 6.587 -5.138 1.00 0.00 N ATOM 1923 CA THR C 19 -4.458 7.050 -3.840 1.00 0.00 C ATOM 1924 C THR C 19 -4.337 5.839 -2.920 1.00 0.00 C ATOM 1925 O THR C 19 -5.017 4.833 -3.123 1.00 0.00 O ATOM 1926 CB THR C 19 -5.447 8.076 -3.265 1.00 0.00 C ATOM 1927 OG1 THR C 19 -5.673 9.112 -4.193 1.00 0.00 O ATOM 1928 CG2 THR C 19 -4.922 8.704 -1.971 1.00 0.00 C ATOM 0 H THR C 19 -5.664 5.889 -5.076 1.00 0.00 H new ATOM 0 HA THR C 19 -3.488 7.538 -3.933 1.00 0.00 H new ATOM 0 HB THR C 19 -6.373 7.541 -3.055 1.00 0.00 H new ATOM 0 HG1 THR C 19 -6.306 9.758 -3.815 1.00 0.00 H new ATOM 0 HG21 THR C 19 -5.649 9.424 -1.595 1.00 0.00 H new ATOM 0 HG22 THR C 19 -4.765 7.924 -1.226 1.00 0.00 H new ATOM 0 HG23 THR C 19 -3.978 9.212 -2.170 1.00 0.00 H new ATOM 1936 N ILE C 20 -3.472 5.942 -1.909 1.00 0.00 N ATOM 1937 CA ILE C 20 -3.165 4.861 -0.982 1.00 0.00 C ATOM 1938 C ILE C 20 -3.170 5.436 0.429 1.00 0.00 C ATOM 1939 O ILE C 20 -2.831 6.602 0.617 1.00 0.00 O ATOM 1940 CB ILE C 20 -1.771 4.292 -1.309 1.00 0.00 C ATOM 1941 CG1 ILE C 20 -1.624 3.866 -2.774 1.00 0.00 C ATOM 1942 CG2 ILE C 20 -1.435 3.119 -0.389 1.00 0.00 C ATOM 1943 CD1 ILE C 20 -2.492 2.663 -3.136 1.00 0.00 C ATOM 0 H ILE C 20 -2.956 6.800 -1.711 1.00 0.00 H new ATOM 0 HA ILE C 20 -3.901 4.061 -1.065 1.00 0.00 H new ATOM 0 HB ILE C 20 -1.064 5.104 -1.139 1.00 0.00 H new ATOM 0 HG12 ILE C 20 -1.888 4.704 -3.419 1.00 0.00 H new ATOM 0 HG13 ILE C 20 -0.580 3.627 -2.974 1.00 0.00 H new ATOM 0 HG21 ILE C 20 -0.446 2.733 -0.638 1.00 0.00 H new ATOM 0 HG22 ILE C 20 -1.443 3.456 0.648 1.00 0.00 H new ATOM 0 HG23 ILE C 20 -2.176 2.330 -0.520 1.00 0.00 H new ATOM 0 HD11 ILE C 20 -2.344 2.410 -4.186 1.00 0.00 H new ATOM 0 HD12 ILE C 20 -2.212 1.812 -2.515 1.00 0.00 H new ATOM 0 HD13 ILE C 20 -3.541 2.907 -2.966 1.00 0.00 H new ATOM 1955 N THR C 21 -3.548 4.625 1.419 1.00 0.00 N ATOM 1956 CA THR C 21 -3.601 5.077 2.800 1.00 0.00 C ATOM 1957 C THR C 21 -3.193 3.950 3.734 1.00 0.00 C ATOM 1958 O THR C 21 -3.617 2.807 3.572 1.00 0.00 O ATOM 1959 CB THR C 21 -5.024 5.541 3.134 1.00 0.00 C ATOM 1960 OG1 THR C 21 -5.418 6.557 2.235 1.00 0.00 O ATOM 1961 CG2 THR C 21 -5.107 6.105 4.551 1.00 0.00 C ATOM 0 H THR C 21 -3.821 3.652 1.284 1.00 0.00 H new ATOM 0 HA THR C 21 -2.910 5.909 2.930 1.00 0.00 H new ATOM 0 HB THR C 21 -5.680 4.674 3.053 1.00 0.00 H new ATOM 0 HG1 THR C 21 -4.932 7.383 2.441 1.00 0.00 H new ATOM 0 HG21 THR C 21 -6.129 6.425 4.756 1.00 0.00 H new ATOM 0 HG22 THR C 21 -4.817 5.335 5.266 1.00 0.00 H new ATOM 0 HG23 THR C 21 -4.434 6.958 4.643 1.00 0.00 H new ATOM 1969 N ILE C 22 -2.358 4.271 4.724 1.00 0.00 N ATOM 1970 CA ILE C 22 -1.945 3.323 5.743 1.00 0.00 C ATOM 1971 C ILE C 22 -2.944 3.398 6.894 1.00 0.00 C ATOM 1972 O ILE C 22 -2.815 4.212 7.806 1.00 0.00 O ATOM 1973 CB ILE C 22 -0.489 3.586 6.160 1.00 0.00 C ATOM 1974 CG1 ILE C 22 -0.074 2.744 7.369 1.00 0.00 C ATOM 1975 CG2 ILE C 22 -0.224 5.054 6.496 1.00 0.00 C ATOM 1976 CD1 ILE C 22 -0.318 1.260 7.122 1.00 0.00 C ATOM 0 H ILE C 22 -1.952 5.200 4.836 1.00 0.00 H new ATOM 0 HA ILE C 22 -1.954 2.301 5.364 1.00 0.00 H new ATOM 0 HB ILE C 22 0.104 3.304 5.290 1.00 0.00 H new ATOM 0 HG12 ILE C 22 0.981 2.910 7.585 1.00 0.00 H new ATOM 0 HG13 ILE C 22 -0.634 3.065 8.248 1.00 0.00 H new ATOM 0 HG21 ILE C 22 0.820 5.179 6.783 1.00 0.00 H new ATOM 0 HG22 ILE C 22 -0.436 5.671 5.623 1.00 0.00 H new ATOM 0 HG23 ILE C 22 -0.867 5.360 7.322 1.00 0.00 H new ATOM 0 HD11 ILE C 22 -0.013 0.690 8.000 1.00 0.00 H new ATOM 0 HD12 ILE C 22 -1.378 1.092 6.931 1.00 0.00 H new ATOM 0 HD13 ILE C 22 0.262 0.935 6.258 1.00 0.00 H new ATOM 1988 N LEU C 23 -3.962 2.534 6.846 1.00 0.00 N ATOM 1989 CA LEU C 23 -5.046 2.563 7.811 1.00 0.00 C ATOM 1990 C LEU C 23 -4.541 2.204 9.206 1.00 0.00 C ATOM 1991 O LEU C 23 -5.071 2.703 10.199 1.00 0.00 O ATOM 1992 CB LEU C 23 -6.140 1.594 7.366 1.00 0.00 C ATOM 1993 CG LEU C 23 -6.594 1.868 5.928 1.00 0.00 C ATOM 1994 CD1 LEU C 23 -7.670 0.868 5.539 1.00 0.00 C ATOM 1995 CD2 LEU C 23 -7.167 3.271 5.775 1.00 0.00 C ATOM 0 H LEU C 23 -4.051 1.803 6.140 1.00 0.00 H new ATOM 0 HA LEU C 23 -5.456 3.572 7.859 1.00 0.00 H new ATOM 0 HB2 LEU C 23 -5.772 0.571 7.442 1.00 0.00 H new ATOM 0 HB3 LEU C 23 -6.994 1.676 8.038 1.00 0.00 H new ATOM 0 HG LEU C 23 -5.720 1.775 5.283 1.00 0.00 H new ATOM 0 HD11 LEU C 23 -7.994 1.062 4.516 1.00 0.00 H new ATOM 0 HD12 LEU C 23 -7.269 -0.143 5.607 1.00 0.00 H new ATOM 0 HD13 LEU C 23 -8.520 0.967 6.214 1.00 0.00 H new ATOM 0 HD21 LEU C 23 -7.477 3.427 4.742 1.00 0.00 H new ATOM 0 HD22 LEU C 23 -8.028 3.386 6.434 1.00 0.00 H new ATOM 0 HD23 LEU C 23 -6.406 4.006 6.040 1.00 0.00 H new ATOM 2007 N GLY C 24 -3.523 1.346 9.295 1.00 0.00 N ATOM 2008 CA GLY C 24 -2.883 1.058 10.573 1.00 0.00 C ATOM 2009 C GLY C 24 -2.164 -0.282 10.571 1.00 0.00 C ATOM 2010 O GLY C 24 -1.973 -0.883 9.516 1.00 0.00 O ATOM 0 H GLY C 24 -3.128 0.843 8.500 1.00 0.00 H new ATOM 0 HA2 GLY C 24 -2.171 1.849 10.806 1.00 0.00 H new ATOM 0 HA3 GLY C 24 -3.635 1.063 11.362 1.00 0.00 H new ATOM 2014 N VAL C 25 -1.766 -0.748 11.756 1.00 0.00 N ATOM 2015 CA VAL C 25 -1.113 -2.043 11.905 1.00 0.00 C ATOM 2016 C VAL C 25 -1.888 -2.890 12.911 1.00 0.00 C ATOM 2017 O VAL C 25 -2.708 -2.379 13.670 1.00 0.00 O ATOM 2018 CB VAL C 25 0.367 -1.896 12.301 1.00 0.00 C ATOM 2019 CG1 VAL C 25 1.066 -0.839 11.437 1.00 0.00 C ATOM 2020 CG2 VAL C 25 0.522 -1.522 13.774 1.00 0.00 C ATOM 0 H VAL C 25 -1.888 -0.240 12.632 1.00 0.00 H new ATOM 0 HA VAL C 25 -1.120 -2.551 10.941 1.00 0.00 H new ATOM 0 HB VAL C 25 0.835 -2.866 12.135 1.00 0.00 H new ATOM 0 HG11 VAL C 25 2.110 -0.756 11.738 1.00 0.00 H new ATOM 0 HG12 VAL C 25 1.013 -1.133 10.389 1.00 0.00 H new ATOM 0 HG13 VAL C 25 0.572 0.124 11.569 1.00 0.00 H new ATOM 0 HG21 VAL C 25 1.581 -1.427 14.016 1.00 0.00 H new ATOM 0 HG22 VAL C 25 0.020 -0.573 13.963 1.00 0.00 H new ATOM 0 HG23 VAL C 25 0.076 -2.299 14.395 1.00 0.00 H new ATOM 2030 N SER C 26 -1.611 -4.190 12.903 1.00 0.00 N ATOM 2031 CA SER C 26 -2.274 -5.178 13.738 1.00 0.00 C ATOM 2032 C SER C 26 -1.230 -6.227 14.097 1.00 0.00 C ATOM 2033 O SER C 26 -1.332 -7.391 13.716 1.00 0.00 O ATOM 2034 CB SER C 26 -3.471 -5.769 12.986 1.00 0.00 C ATOM 2035 OG SER C 26 -4.576 -4.900 13.089 1.00 0.00 O ATOM 0 H SER C 26 -0.897 -4.594 12.296 1.00 0.00 H new ATOM 0 HA SER C 26 -2.672 -4.742 14.654 1.00 0.00 H new ATOM 0 HB2 SER C 26 -3.214 -5.923 11.938 1.00 0.00 H new ATOM 0 HB3 SER C 26 -3.725 -6.746 13.398 1.00 0.00 H new ATOM 0 HG SER C 26 -4.270 -4.014 13.374 1.00 0.00 H new ATOM 2041 N GLY C 27 -0.209 -5.792 14.839 1.00 0.00 N ATOM 2042 CA GLY C 27 0.944 -6.621 15.135 1.00 0.00 C ATOM 2043 C GLY C 27 1.860 -6.584 13.926 1.00 0.00 C ATOM 2044 O GLY C 27 2.429 -5.542 13.613 1.00 0.00 O ATOM 0 H GLY C 27 -0.165 -4.858 15.246 1.00 0.00 H new ATOM 0 HA2 GLY C 27 1.463 -6.253 16.020 1.00 0.00 H new ATOM 0 HA3 GLY C 27 0.635 -7.644 15.350 1.00 0.00 H new ATOM 2048 N GLN C 28 2.001 -7.723 13.250 1.00 0.00 N ATOM 2049 CA GLN C 28 2.796 -7.811 12.038 1.00 0.00 C ATOM 2050 C GLN C 28 1.902 -7.576 10.837 1.00 0.00 C ATOM 2051 O GLN C 28 2.399 -7.478 9.717 1.00 0.00 O ATOM 2052 CB GLN C 28 3.489 -9.176 11.977 1.00 0.00 C ATOM 2053 CG GLN C 28 4.792 -9.137 12.786 1.00 0.00 C ATOM 2054 CD GLN C 28 4.648 -8.346 14.088 1.00 0.00 C ATOM 2055 OE1 GLN C 28 4.942 -7.048 14.042 1.00 0.00 O flip ATOM 2056 NE2 GLN C 28 4.274 -8.893 15.121 1.00 0.00 N flip ATOM 0 H GLN C 28 1.568 -8.603 13.529 1.00 0.00 H new ATOM 0 HA GLN C 28 3.572 -7.046 12.035 1.00 0.00 H new ATOM 0 HB2 GLN C 28 2.828 -9.947 12.373 1.00 0.00 H new ATOM 0 HB3 GLN C 28 3.702 -9.440 10.941 1.00 0.00 H new ATOM 0 HG2 GLN C 28 5.104 -10.156 13.016 1.00 0.00 H new ATOM 0 HG3 GLN C 28 5.580 -8.691 12.179 1.00 0.00 H new ATOM 0 HE21 GLN C 28 4.057 -9.890 15.121 1.00 0.00 H new ATOM 0 HE22 GLN C 28 4.180 -8.351 15.980 1.00 0.00 H new ATOM 2065 N GLN C 29 0.588 -7.484 11.068 1.00 0.00 N ATOM 2066 CA GLN C 29 -0.334 -7.130 10.012 1.00 0.00 C ATOM 2067 C GLN C 29 -0.272 -5.640 9.743 1.00 0.00 C ATOM 2068 O GLN C 29 0.112 -4.850 10.604 1.00 0.00 O ATOM 2069 CB GLN C 29 -1.764 -7.451 10.412 1.00 0.00 C ATOM 2070 CG GLN C 29 -2.124 -8.885 10.070 1.00 0.00 C ATOM 2071 CD GLN C 29 -3.631 -9.056 10.076 1.00 0.00 C ATOM 2072 OE1 GLN C 29 -4.320 -8.623 10.995 1.00 0.00 O ATOM 2073 NE2 GLN C 29 -4.151 -9.695 9.038 1.00 0.00 N ATOM 0 H GLN C 29 0.152 -7.651 11.975 1.00 0.00 H new ATOM 0 HA GLN C 29 -0.049 -7.701 9.128 1.00 0.00 H new ATOM 0 HB2 GLN C 29 -1.890 -7.288 11.482 1.00 0.00 H new ATOM 0 HB3 GLN C 29 -2.447 -6.771 9.903 1.00 0.00 H new ATOM 0 HG2 GLN C 29 -1.724 -9.145 9.090 1.00 0.00 H new ATOM 0 HG3 GLN C 29 -1.670 -9.565 10.791 1.00 0.00 H new ATOM 0 HE21 GLN C 29 -3.543 -10.039 8.295 1.00 0.00 H new ATOM 0 HE22 GLN C 29 -5.159 -9.842 8.982 1.00 0.00 H new ATOM 2082 N VAL C 30 -0.663 -5.271 8.527 1.00 0.00 N ATOM 2083 CA VAL C 30 -0.826 -3.888 8.141 1.00 0.00 C ATOM 2084 C VAL C 30 -2.110 -3.762 7.332 1.00 0.00 C ATOM 2085 O VAL C 30 -2.252 -4.422 6.300 1.00 0.00 O ATOM 2086 CB VAL C 30 0.385 -3.429 7.326 1.00 0.00 C ATOM 2087 CG1 VAL C 30 0.239 -1.944 7.005 1.00 0.00 C ATOM 2088 CG2 VAL C 30 1.683 -3.627 8.108 1.00 0.00 C ATOM 0 H VAL C 30 -0.875 -5.934 7.782 1.00 0.00 H new ATOM 0 HA VAL C 30 -0.894 -3.252 9.024 1.00 0.00 H new ATOM 0 HB VAL C 30 0.426 -4.024 6.413 1.00 0.00 H new ATOM 0 HG11 VAL C 30 1.099 -1.611 6.424 1.00 0.00 H new ATOM 0 HG12 VAL C 30 -0.672 -1.784 6.428 1.00 0.00 H new ATOM 0 HG13 VAL C 30 0.185 -1.375 7.933 1.00 0.00 H new ATOM 0 HG21 VAL C 30 2.526 -3.292 7.504 1.00 0.00 H new ATOM 0 HG22 VAL C 30 1.644 -3.047 9.030 1.00 0.00 H new ATOM 0 HG23 VAL C 30 1.805 -4.683 8.348 1.00 0.00 H new ATOM 2098 N ARG C 31 -3.036 -2.923 7.804 1.00 0.00 N ATOM 2099 CA ARG C 31 -4.222 -2.586 7.033 1.00 0.00 C ATOM 2100 C ARG C 31 -3.834 -1.478 6.075 1.00 0.00 C ATOM 2101 O ARG C 31 -3.432 -0.392 6.496 1.00 0.00 O ATOM 2102 CB ARG C 31 -5.370 -2.081 7.912 1.00 0.00 C ATOM 2103 CG ARG C 31 -6.163 -3.218 8.549 1.00 0.00 C ATOM 2104 CD ARG C 31 -7.499 -2.666 9.057 1.00 0.00 C ATOM 2105 NE ARG C 31 -8.234 -3.694 9.806 1.00 0.00 N ATOM 2106 CZ ARG C 31 -9.418 -3.488 10.393 1.00 0.00 C ATOM 2107 NH1 ARG C 31 -9.995 -2.290 10.360 1.00 0.00 N ATOM 2108 NH2 ARG C 31 -10.034 -4.486 11.019 1.00 0.00 N ATOM 0 H ARG C 31 -2.982 -2.468 8.716 1.00 0.00 H new ATOM 0 HA ARG C 31 -4.571 -3.484 6.522 1.00 0.00 H new ATOM 0 HB2 ARG C 31 -4.968 -1.439 8.696 1.00 0.00 H new ATOM 0 HB3 ARG C 31 -6.041 -1.467 7.311 1.00 0.00 H new ATOM 0 HG2 ARG C 31 -6.335 -4.012 7.822 1.00 0.00 H new ATOM 0 HG3 ARG C 31 -5.599 -3.657 9.372 1.00 0.00 H new ATOM 0 HD2 ARG C 31 -7.321 -1.801 9.696 1.00 0.00 H new ATOM 0 HD3 ARG C 31 -8.100 -2.323 8.215 1.00 0.00 H new ATOM 0 HE ARG C 31 -7.816 -4.621 9.883 1.00 0.00 H new ATOM 0 HH11 ARG C 31 -9.534 -1.515 9.883 1.00 0.00 H new ATOM 0 HH12 ARG C 31 -10.898 -2.146 10.812 1.00 0.00 H new ATOM 0 HH21 ARG C 31 -9.604 -5.410 11.052 1.00 0.00 H new ATOM 0 HH22 ARG C 31 -10.937 -4.327 11.466 1.00 0.00 H new ATOM 2122 N ILE C 32 -3.967 -1.775 4.785 1.00 0.00 N ATOM 2123 CA ILE C 32 -3.652 -0.845 3.721 1.00 0.00 C ATOM 2124 C ILE C 32 -4.931 -0.618 2.926 1.00 0.00 C ATOM 2125 O ILE C 32 -5.647 -1.568 2.620 1.00 0.00 O ATOM 2126 CB ILE C 32 -2.538 -1.416 2.829 1.00 0.00 C ATOM 2127 CG1 ILE C 32 -1.426 -2.047 3.683 1.00 0.00 C ATOM 2128 CG2 ILE C 32 -2.000 -0.295 1.937 1.00 0.00 C ATOM 2129 CD1 ILE C 32 -0.220 -2.487 2.852 1.00 0.00 C ATOM 0 H ILE C 32 -4.301 -2.680 4.453 1.00 0.00 H new ATOM 0 HA ILE C 32 -3.288 0.101 4.123 1.00 0.00 H new ATOM 0 HB ILE C 32 -2.938 -2.209 2.197 1.00 0.00 H new ATOM 0 HG12 ILE C 32 -1.101 -1.329 4.436 1.00 0.00 H new ATOM 0 HG13 ILE C 32 -1.828 -2.908 4.216 1.00 0.00 H new ATOM 0 HG21 ILE C 32 -1.208 -0.687 1.298 1.00 0.00 H new ATOM 0 HG22 ILE C 32 -2.807 0.095 1.317 1.00 0.00 H new ATOM 0 HG23 ILE C 32 -1.601 0.506 2.560 1.00 0.00 H new ATOM 0 HD11 ILE C 32 0.533 -2.925 3.507 1.00 0.00 H new ATOM 0 HD12 ILE C 32 -0.535 -3.227 2.116 1.00 0.00 H new ATOM 0 HD13 ILE C 32 0.203 -1.623 2.339 1.00 0.00 H new ATOM 2141 N GLY C 33 -5.213 0.639 2.596 1.00 0.00 N ATOM 2142 CA GLY C 33 -6.404 0.996 1.847 1.00 0.00 C ATOM 2143 C GLY C 33 -5.996 1.597 0.514 1.00 0.00 C ATOM 2144 O GLY C 33 -4.919 2.182 0.394 1.00 0.00 O ATOM 0 H GLY C 33 -4.622 1.433 2.841 1.00 0.00 H new ATOM 0 HA2 GLY C 33 -7.025 0.115 1.687 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -7.003 1.709 2.413 1.00 0.00 H new ATOM 2148 N ILE C 34 -6.864 1.448 -0.488 1.00 0.00 N ATOM 2149 CA ILE C 34 -6.599 1.942 -1.829 1.00 0.00 C ATOM 2150 C ILE C 34 -7.856 2.622 -2.343 1.00 0.00 C ATOM 2151 O ILE C 34 -8.970 2.194 -2.035 1.00 0.00 O ATOM 2152 CB ILE C 34 -6.170 0.772 -2.727 1.00 0.00 C ATOM 2153 CG1 ILE C 34 -4.948 0.069 -2.111 1.00 0.00 C ATOM 2154 CG2 ILE C 34 -5.854 1.293 -4.137 1.00 0.00 C ATOM 2155 CD1 ILE C 34 -4.558 -1.193 -2.874 1.00 0.00 C ATOM 0 H ILE C 34 -7.766 0.982 -0.388 1.00 0.00 H new ATOM 0 HA ILE C 34 -5.787 2.669 -1.829 1.00 0.00 H new ATOM 0 HB ILE C 34 -6.981 0.047 -2.802 1.00 0.00 H new ATOM 0 HG12 ILE C 34 -4.104 0.758 -2.098 1.00 0.00 H new ATOM 0 HG13 ILE C 34 -5.165 -0.189 -1.074 1.00 0.00 H new ATOM 0 HG21 ILE C 34 -5.550 0.461 -4.773 1.00 0.00 H new ATOM 0 HG22 ILE C 34 -6.742 1.765 -4.558 1.00 0.00 H new ATOM 0 HG23 ILE C 34 -5.046 2.023 -4.083 1.00 0.00 H new ATOM 0 HD11 ILE C 34 -3.691 -1.652 -2.399 1.00 0.00 H new ATOM 0 HD12 ILE C 34 -5.391 -1.896 -2.864 1.00 0.00 H new ATOM 0 HD13 ILE C 34 -4.313 -0.934 -3.904 1.00 0.00 H new ATOM 2167 N ASN C 35 -7.677 3.684 -3.126 1.00 0.00 N ATOM 2168 CA ASN C 35 -8.780 4.456 -3.656 1.00 0.00 C ATOM 2169 C ASN C 35 -8.520 4.728 -5.131 1.00 0.00 C ATOM 2170 O ASN C 35 -7.692 5.565 -5.482 1.00 0.00 O ATOM 2171 CB ASN C 35 -8.933 5.741 -2.841 1.00 0.00 C ATOM 2172 CG ASN C 35 -10.196 6.509 -3.191 1.00 0.00 C ATOM 2173 OD1 ASN C 35 -10.967 6.100 -4.054 1.00 0.00 O ATOM 2174 ND2 ASN C 35 -10.417 7.635 -2.518 1.00 0.00 N ATOM 0 H ASN C 35 -6.758 4.027 -3.407 1.00 0.00 H new ATOM 0 HA ASN C 35 -9.719 3.909 -3.577 1.00 0.00 H new ATOM 0 HB2 ASN C 35 -8.945 5.494 -1.779 1.00 0.00 H new ATOM 0 HB3 ASN C 35 -8.066 6.379 -3.010 1.00 0.00 H new ATOM 0 HD21 ASN C 35 -11.250 8.190 -2.712 1.00 0.00 H new ATOM 0 HD22 ASN C 35 -9.753 7.943 -1.808 1.00 0.00 H new ATOM 2181 N ALA C 36 -9.244 4.002 -5.984 1.00 0.00 N ATOM 2182 CA ALA C 36 -9.114 4.081 -7.426 1.00 0.00 C ATOM 2183 C ALA C 36 -10.480 3.852 -8.066 1.00 0.00 C ATOM 2184 O ALA C 36 -11.345 3.218 -7.461 1.00 0.00 O ATOM 2185 CB ALA C 36 -8.127 2.994 -7.868 1.00 0.00 C ATOM 0 H ALA C 36 -9.949 3.331 -5.678 1.00 0.00 H new ATOM 0 HA ALA C 36 -8.748 5.061 -7.734 1.00 0.00 H new ATOM 0 HB1 ALA C 36 -8.008 3.029 -8.951 1.00 0.00 H new ATOM 0 HB2 ALA C 36 -7.161 3.164 -7.392 1.00 0.00 H new ATOM 0 HB3 ALA C 36 -8.509 2.016 -7.576 1.00 0.00 H new ATOM 2191 N PRO C 37 -10.698 4.361 -9.287 1.00 0.00 N ATOM 2192 CA PRO C 37 -11.931 4.138 -10.020 1.00 0.00 C ATOM 2193 C PRO C 37 -12.008 2.694 -10.499 1.00 0.00 C ATOM 2194 O PRO C 37 -10.983 2.051 -10.716 1.00 0.00 O ATOM 2195 CB PRO C 37 -11.859 5.099 -11.211 1.00 0.00 C ATOM 2196 CG PRO C 37 -10.358 5.267 -11.447 1.00 0.00 C ATOM 2197 CD PRO C 37 -9.775 5.183 -10.044 1.00 0.00 C ATOM 0 HA PRO C 37 -12.815 4.313 -9.407 1.00 0.00 H new ATOM 0 HB2 PRO C 37 -12.359 4.689 -12.088 1.00 0.00 H new ATOM 0 HB3 PRO C 37 -12.339 6.052 -10.987 1.00 0.00 H new ATOM 0 HG2 PRO C 37 -9.962 4.485 -12.095 1.00 0.00 H new ATOM 0 HG3 PRO C 37 -10.129 6.221 -11.922 1.00 0.00 H new ATOM 0 HD2 PRO C 37 -8.779 4.741 -10.059 1.00 0.00 H new ATOM 0 HD3 PRO C 37 -9.678 6.174 -9.600 1.00 0.00 H new ATOM 2205 N LYS C 38 -13.224 2.166 -10.673 1.00 0.00 N ATOM 2206 CA LYS C 38 -13.413 0.824 -11.209 1.00 0.00 C ATOM 2207 C LYS C 38 -12.945 0.761 -12.665 1.00 0.00 C ATOM 2208 O LYS C 38 -12.986 -0.296 -13.290 1.00 0.00 O ATOM 2209 CB LYS C 38 -14.884 0.402 -11.072 1.00 0.00 C ATOM 2210 CG LYS C 38 -15.304 0.280 -9.605 1.00 0.00 C ATOM 2211 CD LYS C 38 -14.600 -0.867 -8.876 1.00 0.00 C ATOM 2212 CE LYS C 38 -14.959 -2.236 -9.451 1.00 0.00 C ATOM 2213 NZ LYS C 38 -16.406 -2.510 -9.353 1.00 0.00 N ATOM 0 H LYS C 38 -14.091 2.653 -10.448 1.00 0.00 H new ATOM 0 HA LYS C 38 -12.807 0.122 -10.636 1.00 0.00 H new ATOM 0 HB2 LYS C 38 -15.520 1.132 -11.573 1.00 0.00 H new ATOM 0 HB3 LYS C 38 -15.037 -0.553 -11.575 1.00 0.00 H new ATOM 0 HG2 LYS C 38 -15.088 1.217 -9.092 1.00 0.00 H new ATOM 0 HG3 LYS C 38 -16.382 0.129 -9.553 1.00 0.00 H new ATOM 0 HD2 LYS C 38 -13.521 -0.723 -8.936 1.00 0.00 H new ATOM 0 HD3 LYS C 38 -14.867 -0.839 -7.820 1.00 0.00 H new ATOM 0 HE2 LYS C 38 -14.650 -2.284 -10.495 1.00 0.00 H new ATOM 0 HE3 LYS C 38 -14.406 -3.010 -8.919 1.00 0.00 H new ATOM 0 HZ1 LYS C 38 -16.584 -3.513 -9.561 1.00 0.00 H new ATOM 0 HZ2 LYS C 38 -16.736 -2.292 -8.391 1.00 0.00 H new ATOM 0 HZ3 LYS C 38 -16.919 -1.918 -10.038 1.00 0.00 H new ATOM 2227 N ASP C 39 -12.503 1.900 -13.204 1.00 0.00 N ATOM 2228 CA ASP C 39 -11.894 1.991 -14.522 1.00 0.00 C ATOM 2229 C ASP C 39 -10.533 1.292 -14.543 1.00 0.00 C ATOM 2230 O ASP C 39 -9.961 1.077 -15.611 1.00 0.00 O ATOM 2231 CB ASP C 39 -11.727 3.472 -14.870 1.00 0.00 C ATOM 2232 CG ASP C 39 -11.321 3.669 -16.327 1.00 0.00 C ATOM 2233 OD1 ASP C 39 -12.101 3.244 -17.209 1.00 0.00 O ATOM 2234 OD2 ASP C 39 -10.233 4.244 -16.552 1.00 0.00 O ATOM 0 H ASP C 39 -12.562 2.798 -12.723 1.00 0.00 H new ATOM 0 HA ASP C 39 -12.533 1.497 -15.254 1.00 0.00 H new ATOM 0 HB2 ASP C 39 -12.662 3.998 -14.679 1.00 0.00 H new ATOM 0 HB3 ASP C 39 -10.973 3.916 -14.219 1.00 0.00 H new ATOM 2239 N VAL C 40 -10.013 0.938 -13.364 1.00 0.00 N ATOM 2240 CA VAL C 40 -8.731 0.265 -13.213 1.00 0.00 C ATOM 2241 C VAL C 40 -8.856 -0.826 -12.152 1.00 0.00 C ATOM 2242 O VAL C 40 -9.780 -0.805 -11.338 1.00 0.00 O ATOM 2243 CB VAL C 40 -7.620 1.257 -12.837 1.00 0.00 C ATOM 2244 CG1 VAL C 40 -7.549 2.406 -13.846 1.00 0.00 C ATOM 2245 CG2 VAL C 40 -7.826 1.858 -11.445 1.00 0.00 C ATOM 0 H VAL C 40 -10.483 1.116 -12.477 1.00 0.00 H new ATOM 0 HA VAL C 40 -8.458 -0.185 -14.168 1.00 0.00 H new ATOM 0 HB VAL C 40 -6.691 0.687 -12.844 1.00 0.00 H new ATOM 0 HG11 VAL C 40 -6.755 3.095 -13.558 1.00 0.00 H new ATOM 0 HG12 VAL C 40 -7.340 2.006 -14.838 1.00 0.00 H new ATOM 0 HG13 VAL C 40 -8.501 2.936 -13.861 1.00 0.00 H new ATOM 0 HG21 VAL C 40 -7.015 2.553 -11.225 1.00 0.00 H new ATOM 0 HG22 VAL C 40 -8.777 2.389 -11.415 1.00 0.00 H new ATOM 0 HG23 VAL C 40 -7.832 1.061 -10.702 1.00 0.00 H new ATOM 2255 N ALA C 41 -7.930 -1.787 -12.162 1.00 0.00 N ATOM 2256 CA ALA C 41 -7.998 -2.927 -11.262 1.00 0.00 C ATOM 2257 C ALA C 41 -7.080 -2.745 -10.057 1.00 0.00 C ATOM 2258 O ALA C 41 -6.099 -2.007 -10.115 1.00 0.00 O ATOM 2259 CB ALA C 41 -7.602 -4.177 -12.043 1.00 0.00 C ATOM 0 H ALA C 41 -7.124 -1.793 -12.787 1.00 0.00 H new ATOM 0 HA ALA C 41 -9.015 -3.021 -10.880 1.00 0.00 H new ATOM 0 HB1 ALA C 41 -7.646 -5.046 -11.386 1.00 0.00 H new ATOM 0 HB2 ALA C 41 -8.289 -4.318 -12.877 1.00 0.00 H new ATOM 0 HB3 ALA C 41 -6.587 -4.062 -12.424 1.00 0.00 H new ATOM 2265 N VAL C 42 -7.405 -3.426 -8.954 1.00 0.00 N ATOM 2266 CA VAL C 42 -6.547 -3.489 -7.773 1.00 0.00 C ATOM 2267 C VAL C 42 -6.849 -4.779 -7.020 1.00 0.00 C ATOM 2268 O VAL C 42 -8.015 -5.112 -6.810 1.00 0.00 O ATOM 2269 CB VAL C 42 -6.763 -2.251 -6.894 1.00 0.00 C ATOM 2270 CG1 VAL C 42 -8.235 -1.948 -6.629 1.00 0.00 C ATOM 2271 CG2 VAL C 42 -6.072 -2.411 -5.546 1.00 0.00 C ATOM 0 H VAL C 42 -8.275 -3.950 -8.857 1.00 0.00 H new ATOM 0 HA VAL C 42 -5.497 -3.493 -8.067 1.00 0.00 H new ATOM 0 HB VAL C 42 -6.333 -1.423 -7.457 1.00 0.00 H new ATOM 0 HG11 VAL C 42 -8.317 -1.061 -6.001 1.00 0.00 H new ATOM 0 HG12 VAL C 42 -8.746 -1.771 -7.575 1.00 0.00 H new ATOM 0 HG13 VAL C 42 -8.695 -2.795 -6.121 1.00 0.00 H new ATOM 0 HG21 VAL C 42 -6.241 -1.519 -4.942 1.00 0.00 H new ATOM 0 HG22 VAL C 42 -6.478 -3.281 -5.030 1.00 0.00 H new ATOM 0 HG23 VAL C 42 -5.002 -2.548 -5.700 1.00 0.00 H new ATOM 2281 N HIS C 43 -5.807 -5.513 -6.612 1.00 0.00 N ATOM 2282 CA HIS C 43 -5.989 -6.794 -5.942 1.00 0.00 C ATOM 2283 C HIS C 43 -4.790 -7.148 -5.072 1.00 0.00 C ATOM 2284 O HIS C 43 -3.725 -6.544 -5.184 1.00 0.00 O ATOM 2285 CB HIS C 43 -6.132 -7.910 -6.980 1.00 0.00 C ATOM 2286 CG HIS C 43 -7.198 -7.669 -8.011 1.00 0.00 C ATOM 2287 ND1 HIS C 43 -8.555 -7.955 -7.853 1.00 0.00 N ATOM 2288 CD2 HIS C 43 -6.980 -7.138 -9.248 1.00 0.00 C ATOM 2289 CE1 HIS C 43 -9.123 -7.582 -9.011 1.00 0.00 C ATOM 2290 NE2 HIS C 43 -8.207 -7.088 -9.865 1.00 0.00 N ATOM 0 H HIS C 43 -4.833 -5.237 -6.737 1.00 0.00 H new ATOM 0 HA HIS C 43 -6.882 -6.704 -5.324 1.00 0.00 H new ATOM 0 HB2 HIS C 43 -5.176 -8.041 -7.488 1.00 0.00 H new ATOM 0 HB3 HIS C 43 -6.349 -8.844 -6.463 1.00 0.00 H new ATOM 0 HD1 HIS C 43 -9.014 -8.359 -7.037 1.00 0.00 H new ATOM 0 HD2 HIS C 43 -6.033 -6.821 -9.660 1.00 0.00 H new ATOM 0 HE1 HIS C 43 -10.177 -7.667 -9.229 1.00 0.00 H new ATOM 2298 N ARG C 44 -4.976 -8.140 -4.200 1.00 0.00 N ATOM 2299 CA ARG C 44 -3.890 -8.731 -3.437 1.00 0.00 C ATOM 2300 C ARG C 44 -3.000 -9.499 -4.417 1.00 0.00 C ATOM 2301 O ARG C 44 -3.476 -9.923 -5.467 1.00 0.00 O ATOM 2302 CB ARG C 44 -4.523 -9.642 -2.383 1.00 0.00 C ATOM 2303 CG ARG C 44 -3.525 -10.071 -1.310 1.00 0.00 C ATOM 2304 CD ARG C 44 -4.263 -10.751 -0.153 1.00 0.00 C ATOM 2305 NE ARG C 44 -4.837 -12.043 -0.552 1.00 0.00 N ATOM 2306 CZ ARG C 44 -6.116 -12.251 -0.885 1.00 0.00 C ATOM 2307 NH1 ARG C 44 -6.996 -11.255 -0.915 1.00 0.00 N ATOM 2308 NH2 ARG C 44 -6.518 -13.478 -1.195 1.00 0.00 N ATOM 0 H ARG C 44 -5.888 -8.553 -4.007 1.00 0.00 H new ATOM 0 HA ARG C 44 -3.270 -7.993 -2.927 1.00 0.00 H new ATOM 0 HB2 ARG C 44 -5.358 -9.123 -1.912 1.00 0.00 H new ATOM 0 HB3 ARG C 44 -4.932 -10.527 -2.870 1.00 0.00 H new ATOM 0 HG2 ARG C 44 -2.791 -10.755 -1.736 1.00 0.00 H new ATOM 0 HG3 ARG C 44 -2.977 -9.203 -0.943 1.00 0.00 H new ATOM 0 HD2 ARG C 44 -3.574 -10.901 0.678 1.00 0.00 H new ATOM 0 HD3 ARG C 44 -5.057 -10.096 0.205 1.00 0.00 H new ATOM 0 HE ARG C 44 -4.210 -12.847 -0.577 1.00 0.00 H new ATOM 0 HH11 ARG C 44 -6.701 -10.307 -0.681 1.00 0.00 H new ATOM 0 HH12 ARG C 44 -7.966 -11.439 -1.172 1.00 0.00 H new ATOM 0 HH21 ARG C 44 -5.854 -14.252 -1.178 1.00 0.00 H new ATOM 0 HH22 ARG C 44 -7.491 -13.647 -1.450 1.00 0.00 H new ATOM 2322 N GLU C 45 -1.719 -9.686 -4.101 1.00 0.00 N ATOM 2323 CA GLU C 45 -0.787 -10.343 -5.019 1.00 0.00 C ATOM 2324 C GLU C 45 -1.207 -11.785 -5.333 1.00 0.00 C ATOM 2325 O GLU C 45 -0.830 -12.320 -6.375 1.00 0.00 O ATOM 2326 CB GLU C 45 0.616 -10.254 -4.406 1.00 0.00 C ATOM 2327 CG GLU C 45 1.713 -10.727 -5.365 1.00 0.00 C ATOM 2328 CD GLU C 45 1.990 -12.232 -5.294 1.00 0.00 C ATOM 2329 OE1 GLU C 45 1.430 -12.904 -4.399 1.00 0.00 O ATOM 2330 OE2 GLU C 45 2.772 -12.699 -6.150 1.00 0.00 O ATOM 0 H GLU C 45 -1.302 -9.392 -3.217 1.00 0.00 H new ATOM 0 HA GLU C 45 -0.792 -9.835 -5.983 1.00 0.00 H new ATOM 0 HB2 GLU C 45 0.815 -9.223 -4.113 1.00 0.00 H new ATOM 0 HB3 GLU C 45 0.650 -10.855 -3.498 1.00 0.00 H new ATOM 0 HG2 GLU C 45 1.428 -10.467 -6.385 1.00 0.00 H new ATOM 0 HG3 GLU C 45 2.634 -10.187 -5.144 1.00 0.00 H new ATOM 2337 N GLU C 46 -1.985 -12.425 -4.455 1.00 0.00 N ATOM 2338 CA GLU C 46 -2.504 -13.766 -4.698 1.00 0.00 C ATOM 2339 C GLU C 46 -3.590 -13.729 -5.771 1.00 0.00 C ATOM 2340 O GLU C 46 -3.713 -14.638 -6.592 1.00 0.00 O ATOM 2341 CB GLU C 46 -3.150 -14.283 -3.406 1.00 0.00 C ATOM 2342 CG GLU C 46 -3.708 -15.700 -3.550 1.00 0.00 C ATOM 2343 CD GLU C 46 -2.589 -16.729 -3.712 1.00 0.00 C ATOM 2344 OE1 GLU C 46 -1.954 -17.055 -2.686 1.00 0.00 O ATOM 2345 OE2 GLU C 46 -2.376 -17.185 -4.858 1.00 0.00 O ATOM 0 H GLU C 46 -2.270 -12.026 -3.560 1.00 0.00 H new ATOM 0 HA GLU C 46 -1.684 -14.407 -5.021 1.00 0.00 H new ATOM 0 HB2 GLU C 46 -2.412 -14.268 -2.604 1.00 0.00 H new ATOM 0 HB3 GLU C 46 -3.954 -13.609 -3.112 1.00 0.00 H new ATOM 0 HG2 GLU C 46 -4.307 -15.947 -2.673 1.00 0.00 H new ATOM 0 HG3 GLU C 46 -4.372 -15.745 -4.413 1.00 0.00 H new ATOM 2352 N ILE C 47 -4.383 -12.658 -5.747 1.00 0.00 N ATOM 2353 CA ILE C 47 -5.590 -12.536 -6.543 1.00 0.00 C ATOM 2354 C ILE C 47 -5.296 -11.868 -7.876 1.00 0.00 C ATOM 2355 O ILE C 47 -5.941 -12.181 -8.871 1.00 0.00 O ATOM 2356 CB ILE C 47 -6.600 -11.740 -5.719 1.00 0.00 C ATOM 2357 CG1 ILE C 47 -6.901 -12.469 -4.403 1.00 0.00 C ATOM 2358 CG2 ILE C 47 -7.887 -11.523 -6.502 1.00 0.00 C ATOM 2359 CD1 ILE C 47 -7.311 -13.929 -4.605 1.00 0.00 C ATOM 0 H ILE C 47 -4.197 -11.842 -5.163 1.00 0.00 H new ATOM 0 HA ILE C 47 -5.998 -13.519 -6.779 1.00 0.00 H new ATOM 0 HB ILE C 47 -6.166 -10.766 -5.495 1.00 0.00 H new ATOM 0 HG12 ILE C 47 -6.019 -12.431 -3.764 1.00 0.00 H new ATOM 0 HG13 ILE C 47 -7.698 -11.943 -3.878 1.00 0.00 H new ATOM 0 HG21 ILE C 47 -8.591 -10.954 -5.895 1.00 0.00 H new ATOM 0 HG22 ILE C 47 -7.668 -10.971 -7.416 1.00 0.00 H new ATOM 0 HG23 ILE C 47 -8.325 -12.488 -6.757 1.00 0.00 H new ATOM 0 HD11 ILE C 47 -7.510 -14.388 -3.637 1.00 0.00 H new ATOM 0 HD12 ILE C 47 -8.210 -13.973 -5.219 1.00 0.00 H new ATOM 0 HD13 ILE C 47 -6.505 -14.468 -5.103 1.00 0.00 H new ATOM 2371 N TYR C 48 -4.326 -10.956 -7.916 1.00 0.00 N ATOM 2372 CA TYR C 48 -3.961 -10.311 -9.161 1.00 0.00 C ATOM 2373 C TYR C 48 -3.592 -11.353 -10.215 1.00 0.00 C ATOM 2374 O TYR C 48 -3.956 -11.210 -11.380 1.00 0.00 O ATOM 2375 CB TYR C 48 -2.781 -9.378 -8.911 1.00 0.00 C ATOM 2376 CG TYR C 48 -2.116 -8.944 -10.193 1.00 0.00 C ATOM 2377 CD1 TYR C 48 -2.884 -8.464 -11.262 1.00 0.00 C ATOM 2378 CD2 TYR C 48 -0.725 -9.040 -10.311 1.00 0.00 C ATOM 2379 CE1 TYR C 48 -2.271 -8.119 -12.469 1.00 0.00 C ATOM 2380 CE2 TYR C 48 -0.099 -8.678 -11.508 1.00 0.00 C ATOM 2381 CZ TYR C 48 -0.867 -8.218 -12.599 1.00 0.00 C ATOM 2382 OH TYR C 48 -0.253 -7.873 -13.766 1.00 0.00 O ATOM 0 H TYR C 48 -3.787 -10.654 -7.104 1.00 0.00 H new ATOM 0 HA TYR C 48 -4.810 -9.737 -9.532 1.00 0.00 H new ATOM 0 HB2 TYR C 48 -3.124 -8.499 -8.366 1.00 0.00 H new ATOM 0 HB3 TYR C 48 -2.051 -9.881 -8.277 1.00 0.00 H new ATOM 0 HD1 TYR C 48 -3.953 -8.360 -11.153 1.00 0.00 H new ATOM 0 HD2 TYR C 48 -0.135 -9.393 -9.478 1.00 0.00 H new ATOM 0 HE1 TYR C 48 -2.869 -7.777 -13.301 1.00 0.00 H new ATOM 0 HE2 TYR C 48 0.975 -8.751 -11.598 1.00 0.00 H new ATOM 0 HH TYR C 48 -0.922 -7.550 -14.405 1.00 0.00 H new ATOM 2392 N GLN C 49 -2.872 -12.406 -9.813 1.00 0.00 N ATOM 2393 CA GLN C 49 -2.453 -13.451 -10.736 1.00 0.00 C ATOM 2394 C GLN C 49 -3.661 -14.204 -11.296 1.00 0.00 C ATOM 2395 O GLN C 49 -3.564 -14.839 -12.342 1.00 0.00 O ATOM 2396 CB GLN C 49 -1.553 -14.446 -10.003 1.00 0.00 C ATOM 2397 CG GLN C 49 -0.301 -13.770 -9.446 1.00 0.00 C ATOM 2398 CD GLN C 49 0.549 -14.772 -8.672 1.00 0.00 C ATOM 2399 OE1 GLN C 49 1.077 -15.723 -9.241 1.00 0.00 O ATOM 2400 NE2 GLN C 49 0.687 -14.566 -7.368 1.00 0.00 N ATOM 0 H GLN C 49 -2.569 -12.552 -8.850 1.00 0.00 H new ATOM 0 HA GLN C 49 -1.914 -12.982 -11.560 1.00 0.00 H new ATOM 0 HB2 GLN C 49 -2.110 -14.909 -9.188 1.00 0.00 H new ATOM 0 HB3 GLN C 49 -1.262 -15.245 -10.685 1.00 0.00 H new ATOM 0 HG2 GLN C 49 0.282 -13.343 -10.262 1.00 0.00 H new ATOM 0 HG3 GLN C 49 -0.586 -12.945 -8.793 1.00 0.00 H new ATOM 0 HE21 GLN C 49 0.234 -13.765 -6.927 1.00 0.00 H new ATOM 0 HE22 GLN C 49 1.246 -15.208 -6.807 1.00 0.00 H new ATOM 2409 N ARG C 50 -4.801 -14.134 -10.598 1.00 0.00 N ATOM 2410 CA ARG C 50 -5.998 -14.867 -10.974 1.00 0.00 C ATOM 2411 C ARG C 50 -6.852 -14.084 -11.965 1.00 0.00 C ATOM 2412 O ARG C 50 -7.437 -14.691 -12.859 1.00 0.00 O ATOM 2413 CB ARG C 50 -6.788 -15.196 -9.706 1.00 0.00 C ATOM 2414 CG ARG C 50 -7.952 -16.120 -10.045 1.00 0.00 C ATOM 2415 CD ARG C 50 -8.660 -16.514 -8.754 1.00 0.00 C ATOM 2416 NE ARG C 50 -7.830 -17.412 -7.939 1.00 0.00 N ATOM 2417 CZ ARG C 50 -7.929 -17.534 -6.612 1.00 0.00 C ATOM 2418 NH1 ARG C 50 -8.815 -16.825 -5.917 1.00 0.00 N ATOM 2419 NH2 ARG C 50 -7.131 -18.377 -5.964 1.00 0.00 N ATOM 0 H ARG C 50 -4.911 -13.566 -9.758 1.00 0.00 H new ATOM 0 HA ARG C 50 -5.708 -15.789 -11.477 1.00 0.00 H new ATOM 0 HB2 ARG C 50 -6.136 -15.672 -8.974 1.00 0.00 H new ATOM 0 HB3 ARG C 50 -7.161 -14.278 -9.251 1.00 0.00 H new ATOM 0 HG2 ARG C 50 -8.647 -15.619 -10.719 1.00 0.00 H new ATOM 0 HG3 ARG C 50 -7.590 -17.008 -10.563 1.00 0.00 H new ATOM 0 HD2 ARG C 50 -8.900 -15.618 -8.181 1.00 0.00 H new ATOM 0 HD3 ARG C 50 -9.605 -17.004 -8.990 1.00 0.00 H new ATOM 0 HE ARG C 50 -7.132 -17.980 -8.418 1.00 0.00 H new ATOM 0 HH11 ARG C 50 -9.435 -16.173 -6.397 1.00 0.00 H new ATOM 0 HH12 ARG C 50 -8.874 -16.934 -4.905 1.00 0.00 H new ATOM 0 HH21 ARG C 50 -6.445 -18.929 -6.480 1.00 0.00 H new ATOM 0 HH22 ARG C 50 -7.204 -18.472 -4.951 1.00 0.00 H new ATOM 2433 N ILE C 51 -6.939 -12.759 -11.831 1.00 0.00 N ATOM 2434 CA ILE C 51 -7.685 -11.949 -12.790 1.00 0.00 C ATOM 2435 C ILE C 51 -7.047 -12.078 -14.179 1.00 0.00 C ATOM 2436 O ILE C 51 -7.675 -11.772 -15.191 1.00 0.00 O ATOM 2437 CB ILE C 51 -7.799 -10.485 -12.321 1.00 0.00 C ATOM 2438 CG1 ILE C 51 -8.836 -10.348 -11.201 1.00 0.00 C ATOM 2439 CG2 ILE C 51 -8.267 -9.551 -13.441 1.00 0.00 C ATOM 2440 CD1 ILE C 51 -8.320 -10.873 -9.867 1.00 0.00 C ATOM 0 H ILE C 51 -6.506 -12.230 -11.074 1.00 0.00 H new ATOM 0 HA ILE C 51 -8.707 -12.322 -12.856 1.00 0.00 H new ATOM 0 HB ILE C 51 -6.799 -10.209 -11.986 1.00 0.00 H new ATOM 0 HG12 ILE C 51 -9.114 -9.300 -11.093 1.00 0.00 H new ATOM 0 HG13 ILE C 51 -9.740 -10.891 -11.477 1.00 0.00 H new ATOM 0 HG21 ILE C 51 -8.332 -8.531 -13.061 1.00 0.00 H new ATOM 0 HG22 ILE C 51 -7.555 -9.587 -14.266 1.00 0.00 H new ATOM 0 HG23 ILE C 51 -9.248 -9.869 -13.794 1.00 0.00 H new ATOM 0 HD11 ILE C 51 -9.091 -10.754 -9.106 1.00 0.00 H new ATOM 0 HD12 ILE C 51 -8.067 -11.929 -9.965 1.00 0.00 H new ATOM 0 HD13 ILE C 51 -7.432 -10.313 -9.574 1.00 0.00 H new