USER MOD reduce.3.24.130724 H: found=0, std=0, add=900, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 901 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 22 LYS NZ :NH3+ -166:sc= 0.127 (180deg=0) USER MOD Set 1.2: A 99 GLN : amide:sc= -3.14 K(o=-3,f=-5.9!) USER MOD Set 2.1: A 79 CYS SG : rot -150:sc= 0.797 USER MOD Set 2.2: A 83 ASN : amide:sc= 0 X(o=0.8,f=0.63) USER MOD Set 3.1: A 56 ASN : amide:sc= -0.293 K(o=-0.013,f=-1.5) USER MOD Set 3.2: A 62 TYR OH : rot -17:sc= 0.28 USER MOD Set 4.1: A 46 LYS NZ :NH3+ -178:sc= -0.533 (180deg=0) USER MOD Set 4.2: A 48 MET CE :methyl 168:sc= -0.996 (180deg=-0.836) USER MOD Set 5.1: A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 5.2: A 29 SER OG : rot 180:sc= 0 USER MOD Set 6.1: A 14 LYS NZ :NH3+ 171:sc= -0.219 (180deg=-0.858) USER MOD Set 6.2: A 15 THR OG1 : rot 64:sc= 1.26 USER MOD Set 6.3: A 110 GLN : amide:sc= 0.784 K(o=1.8,f=-4) USER MOD Single : A 6 SER OG : rot -20:sc= 0.301 USER MOD Single : A 18 GLN : amide:sc= -4.06! C(o=-4.1!,f=-7.1!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.0306 K(o=-0.031,f=-1.5!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -2.92! C(o=-2.9!,f=-2.8!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 MET CE :methyl -125:sc= -0.297 (180deg=-4.25!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 ASN : amide:sc= -0.0211 K(o=-0.021,f=-1.4) USER MOD Single : A 77 SER OG : rot 160:sc= -1.16! USER MOD Single : A 78 ASN : amide:sc= -4.79! C(o=-4.8!,f=-8.6!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 30:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 171:sc= -0.896 (180deg=-1.13) USER MOD Single : A 87 THR OG1 : rot -59:sc= 1.24 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 MET CE :methyl -130:sc= -0.172 (180deg=-2.02) USER MOD ----------------------------------------------------------------- ATOM 48 N SER A 6 -0.447 20.282 1.835 1.00 0.00 N ATOM 49 CA SER A 6 -0.213 19.525 3.058 1.00 0.00 C ATOM 50 C SER A 6 -1.396 18.610 3.366 1.00 0.00 C ATOM 51 O SER A 6 -1.231 17.406 3.552 1.00 0.00 O ATOM 52 CB SER A 6 0.030 20.475 4.233 1.00 0.00 C ATOM 53 OG SER A 6 -0.883 21.560 4.208 1.00 0.00 O ATOM 0 HA SER A 6 0.673 18.908 2.909 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.072 19.931 5.172 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.051 20.854 4.194 1.00 0.00 H new ATOM 0 HG SER A 6 -1.248 21.660 3.304 1.00 0.00 H new ATOM 59 N GLY A 7 -2.590 19.193 3.417 1.00 0.00 N ATOM 60 CA GLY A 7 -3.782 18.417 3.702 1.00 0.00 C ATOM 61 C GLY A 7 -3.756 17.052 3.044 1.00 0.00 C ATOM 62 O GLY A 7 -4.113 16.049 3.663 1.00 0.00 O ATOM 0 H GLY A 7 -2.753 20.189 3.266 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.883 18.295 4.780 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.659 18.965 3.359 1.00 0.00 H new ATOM 66 N PHE A 8 -3.335 17.012 1.785 1.00 0.00 N ATOM 67 CA PHE A 8 -3.266 15.759 1.041 1.00 0.00 C ATOM 68 C PHE A 8 -2.364 14.754 1.750 1.00 0.00 C ATOM 69 O PHE A 8 -2.674 13.564 1.818 1.00 0.00 O ATOM 70 CB PHE A 8 -2.752 16.011 -0.378 1.00 0.00 C ATOM 71 CG PHE A 8 -2.458 14.752 -1.142 1.00 0.00 C ATOM 72 CD1 PHE A 8 -3.462 13.833 -1.402 1.00 0.00 C ATOM 73 CD2 PHE A 8 -1.178 14.486 -1.600 1.00 0.00 C ATOM 74 CE1 PHE A 8 -3.194 12.673 -2.104 1.00 0.00 C ATOM 75 CE2 PHE A 8 -0.905 13.328 -2.303 1.00 0.00 C ATOM 76 CZ PHE A 8 -1.914 12.421 -2.556 1.00 0.00 C ATOM 0 H PHE A 8 -3.036 17.832 1.258 1.00 0.00 H new ATOM 0 HA PHE A 8 -4.272 15.342 0.987 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -3.492 16.594 -0.926 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -1.846 16.615 -0.326 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -4.465 14.025 -1.052 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -0.384 15.192 -1.405 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -3.985 11.964 -2.299 1.00 0.00 H new ATOM 0 HE2 PHE A 8 0.097 13.133 -2.654 1.00 0.00 H new ATOM 0 HZ PHE A 8 -1.703 11.516 -3.106 1.00 0.00 H new ATOM 86 N LEU A 9 -1.245 15.241 2.275 1.00 0.00 N ATOM 87 CA LEU A 9 -0.295 14.386 2.979 1.00 0.00 C ATOM 88 C LEU A 9 -0.945 13.739 4.199 1.00 0.00 C ATOM 89 O LEU A 9 -0.647 12.594 4.539 1.00 0.00 O ATOM 90 CB LEU A 9 0.929 15.196 3.409 1.00 0.00 C ATOM 91 CG LEU A 9 1.619 16.004 2.310 1.00 0.00 C ATOM 92 CD1 LEU A 9 2.724 16.870 2.895 1.00 0.00 C ATOM 93 CD2 LEU A 9 2.177 15.078 1.238 1.00 0.00 C ATOM 0 H LEU A 9 -0.973 16.223 2.227 1.00 0.00 H new ATOM 0 HA LEU A 9 0.021 13.597 2.297 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.626 15.882 4.201 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.659 14.512 3.842 1.00 0.00 H new ATOM 0 HG LEU A 9 0.879 16.658 1.849 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.203 17.437 2.097 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.299 17.559 3.625 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.464 16.235 3.383 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.665 15.670 0.464 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.902 14.398 1.686 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.364 14.502 0.796 1.00 0.00 H new ATOM 105 N ILE A 10 -1.833 14.480 4.852 1.00 0.00 N ATOM 106 CA ILE A 10 -2.527 13.978 6.031 1.00 0.00 C ATOM 107 C ILE A 10 -3.488 12.851 5.665 1.00 0.00 C ATOM 108 O ILE A 10 -3.503 11.801 6.308 1.00 0.00 O ATOM 109 CB ILE A 10 -3.312 15.096 6.742 1.00 0.00 C ATOM 110 CG1 ILE A 10 -2.353 16.036 7.476 1.00 0.00 C ATOM 111 CG2 ILE A 10 -4.322 14.500 7.711 1.00 0.00 C ATOM 112 CD1 ILE A 10 -1.880 17.198 6.629 1.00 0.00 C ATOM 0 H ILE A 10 -2.089 15.430 4.585 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.763 13.596 6.708 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.853 15.673 5.992 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.847 16.424 8.367 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.487 15.467 7.814 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -4.869 15.303 8.206 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -5.021 13.868 7.164 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.800 13.902 8.458 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -1.204 17.822 7.213 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -1.357 16.819 5.751 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.738 17.790 6.312 1.00 0.00 H new ATOM 124 N LEU A 11 -4.287 13.076 4.629 1.00 0.00 N ATOM 125 CA LEU A 11 -5.250 12.079 4.175 1.00 0.00 C ATOM 126 C LEU A 11 -4.579 10.725 3.975 1.00 0.00 C ATOM 127 O LEU A 11 -5.127 9.686 4.349 1.00 0.00 O ATOM 128 CB LEU A 11 -5.907 12.533 2.870 1.00 0.00 C ATOM 129 CG LEU A 11 -6.681 11.461 2.100 1.00 0.00 C ATOM 130 CD1 LEU A 11 -7.964 11.101 2.831 1.00 0.00 C ATOM 131 CD2 LEU A 11 -6.984 11.935 0.686 1.00 0.00 C ATOM 0 H LEU A 11 -4.287 13.940 4.087 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.016 11.974 4.943 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.589 13.353 3.096 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.132 12.933 2.216 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.061 10.567 2.037 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -8.501 10.337 2.269 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.723 10.719 3.823 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.590 11.988 2.927 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -7.535 11.160 0.153 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.584 12.844 0.728 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.050 12.141 0.163 1.00 0.00 H new ATOM 143 N LEU A 12 -3.389 10.741 3.387 1.00 0.00 N ATOM 144 CA LEU A 12 -2.640 9.513 3.140 1.00 0.00 C ATOM 145 C LEU A 12 -2.211 8.864 4.451 1.00 0.00 C ATOM 146 O LEU A 12 -2.498 7.692 4.698 1.00 0.00 O ATOM 147 CB LEU A 12 -1.411 9.807 2.277 1.00 0.00 C ATOM 148 CG LEU A 12 -1.669 10.575 0.980 1.00 0.00 C ATOM 149 CD1 LEU A 12 -0.356 10.925 0.296 1.00 0.00 C ATOM 150 CD2 LEU A 12 -2.558 9.766 0.049 1.00 0.00 C ATOM 0 H LEU A 12 -2.921 11.591 3.072 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.292 8.819 2.609 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.699 10.374 2.876 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.933 8.860 2.026 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.185 11.503 1.227 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.560 11.471 -0.625 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.246 11.545 0.960 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.188 10.010 0.062 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.731 10.328 -0.869 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.070 8.821 -0.191 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.512 9.568 0.538 1.00 0.00 H new ATOM 162 N ARG A 13 -1.525 9.633 5.290 1.00 0.00 N ATOM 163 CA ARG A 13 -1.058 9.132 6.577 1.00 0.00 C ATOM 164 C ARG A 13 -2.192 8.458 7.343 1.00 0.00 C ATOM 165 O ARG A 13 -1.986 7.453 8.023 1.00 0.00 O ATOM 166 CB ARG A 13 -0.474 10.274 7.411 1.00 0.00 C ATOM 167 CG ARG A 13 0.788 10.880 6.817 1.00 0.00 C ATOM 168 CD ARG A 13 1.091 12.240 7.423 1.00 0.00 C ATOM 169 NE ARG A 13 2.023 13.010 6.602 1.00 0.00 N ATOM 170 CZ ARG A 13 2.782 13.990 7.076 1.00 0.00 C ATOM 171 NH1 ARG A 13 2.721 14.320 8.359 1.00 0.00 N ATOM 172 NH2 ARG A 13 3.606 14.644 6.267 1.00 0.00 N ATOM 0 H ARG A 13 -1.280 10.605 5.102 1.00 0.00 H new ATOM 0 HA ARG A 13 -0.280 8.392 6.389 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -1.226 11.056 7.518 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -0.253 9.905 8.412 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.630 10.209 6.987 1.00 0.00 H new ATOM 0 HG3 ARG A 13 0.672 10.979 5.738 1.00 0.00 H new ATOM 0 HD2 ARG A 13 0.163 12.800 7.540 1.00 0.00 H new ATOM 0 HD3 ARG A 13 1.511 12.107 8.420 1.00 0.00 H new ATOM 0 HE ARG A 13 2.094 12.782 5.610 1.00 0.00 H new ATOM 0 HH11 ARG A 13 2.089 13.820 8.985 1.00 0.00 H new ATOM 0 HH12 ARG A 13 3.306 15.074 8.720 1.00 0.00 H new ATOM 0 HH21 ARG A 13 3.657 14.394 5.279 1.00 0.00 H new ATOM 0 HH22 ARG A 13 4.189 15.397 6.633 1.00 0.00 H new ATOM 186 N LYS A 14 -3.392 9.017 7.226 1.00 0.00 N ATOM 187 CA LYS A 14 -4.561 8.470 7.905 1.00 0.00 C ATOM 188 C LYS A 14 -5.064 7.215 7.199 1.00 0.00 C ATOM 189 O LYS A 14 -5.511 6.265 7.841 1.00 0.00 O ATOM 190 CB LYS A 14 -5.676 9.516 7.966 1.00 0.00 C ATOM 191 CG LYS A 14 -7.006 8.959 8.443 1.00 0.00 C ATOM 192 CD LYS A 14 -7.847 8.453 7.282 1.00 0.00 C ATOM 193 CE LYS A 14 -8.568 9.592 6.577 1.00 0.00 C ATOM 194 NZ LYS A 14 -9.012 9.206 5.209 1.00 0.00 N ATOM 0 H LYS A 14 -3.580 9.849 6.667 1.00 0.00 H new ATOM 0 HA LYS A 14 -4.268 8.201 8.920 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.370 10.323 8.632 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.808 9.952 6.976 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -6.830 8.146 9.147 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -7.554 9.733 8.980 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.209 7.929 6.570 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -8.577 7.730 7.648 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -9.433 9.895 7.167 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -7.907 10.456 6.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -9.628 9.949 4.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -8.181 9.089 4.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -9.538 8.310 5.255 1.00 0.00 H new ATOM 208 N THR A 15 -4.985 7.217 5.872 1.00 0.00 N ATOM 209 CA THR A 15 -5.432 6.079 5.078 1.00 0.00 C ATOM 210 C THR A 15 -4.526 4.872 5.290 1.00 0.00 C ATOM 211 O THR A 15 -4.979 3.811 5.720 1.00 0.00 O ATOM 212 CB THR A 15 -5.469 6.421 3.576 1.00 0.00 C ATOM 213 OG1 THR A 15 -6.365 7.514 3.345 1.00 0.00 O ATOM 214 CG2 THR A 15 -5.908 5.216 2.758 1.00 0.00 C ATOM 0 H THR A 15 -4.616 7.994 5.324 1.00 0.00 H new ATOM 0 HA THR A 15 -6.441 5.837 5.413 1.00 0.00 H new ATOM 0 HB THR A 15 -4.464 6.704 3.265 1.00 0.00 H new ATOM 0 HG1 THR A 15 -6.031 8.313 3.803 1.00 0.00 H new ATOM 0 HG21 THR A 15 -5.927 5.481 1.701 1.00 0.00 H new ATOM 0 HG22 THR A 15 -5.208 4.396 2.914 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.905 4.907 3.072 1.00 0.00 H new ATOM 222 N LEU A 16 -3.243 5.039 4.987 1.00 0.00 N ATOM 223 CA LEU A 16 -2.273 3.963 5.145 1.00 0.00 C ATOM 224 C LEU A 16 -2.573 3.138 6.393 1.00 0.00 C ATOM 225 O LEU A 16 -2.397 1.920 6.400 1.00 0.00 O ATOM 226 CB LEU A 16 -0.856 4.534 5.226 1.00 0.00 C ATOM 227 CG LEU A 16 0.228 3.573 5.713 1.00 0.00 C ATOM 228 CD1 LEU A 16 0.459 2.468 4.694 1.00 0.00 C ATOM 229 CD2 LEU A 16 1.524 4.324 5.988 1.00 0.00 C ATOM 0 H LEU A 16 -2.851 5.910 4.630 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.346 3.311 4.274 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.575 4.896 4.237 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.872 5.399 5.890 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.110 3.118 6.644 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.234 1.794 5.058 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.466 1.911 4.545 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.775 2.906 3.747 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.284 3.623 6.334 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.866 4.807 5.073 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.351 5.079 6.755 1.00 0.00 H new ATOM 241 N GLU A 17 -3.029 3.810 7.444 1.00 0.00 N ATOM 242 CA GLU A 17 -3.355 3.138 8.698 1.00 0.00 C ATOM 243 C GLU A 17 -4.560 2.219 8.524 1.00 0.00 C ATOM 244 O GLU A 17 -4.486 1.023 8.804 1.00 0.00 O ATOM 245 CB GLU A 17 -3.637 4.167 9.795 1.00 0.00 C ATOM 246 CG GLU A 17 -2.431 5.015 10.160 1.00 0.00 C ATOM 247 CD GLU A 17 -2.696 5.927 11.341 1.00 0.00 C ATOM 248 OE1 GLU A 17 -3.630 5.637 12.117 1.00 0.00 O ATOM 249 OE2 GLU A 17 -1.969 6.932 11.490 1.00 0.00 O ATOM 0 H GLU A 17 -3.181 4.818 7.454 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.497 2.532 8.991 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.445 4.822 9.468 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.988 3.648 10.687 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.589 4.362 10.391 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.141 5.617 9.299 1.00 0.00 H new ATOM 256 N GLN A 18 -5.668 2.787 8.060 1.00 0.00 N ATOM 257 CA GLN A 18 -6.890 2.019 7.850 1.00 0.00 C ATOM 258 C GLN A 18 -6.587 0.693 7.161 1.00 0.00 C ATOM 259 O GLN A 18 -7.117 -0.352 7.543 1.00 0.00 O ATOM 260 CB GLN A 18 -7.887 2.825 7.016 1.00 0.00 C ATOM 261 CG GLN A 18 -8.256 4.164 7.634 1.00 0.00 C ATOM 262 CD GLN A 18 -8.896 5.110 6.638 1.00 0.00 C ATOM 263 OE1 GLN A 18 -8.542 5.122 5.459 1.00 0.00 O ATOM 264 NE2 GLN A 18 -9.845 5.911 7.108 1.00 0.00 N ATOM 0 H GLN A 18 -5.745 3.776 7.822 1.00 0.00 H new ATOM 0 HA GLN A 18 -7.330 1.809 8.825 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -7.465 2.996 6.026 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -8.794 2.235 6.879 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -8.942 4.000 8.465 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -7.360 4.628 8.047 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -10.107 5.868 8.093 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -10.312 6.570 6.484 1.00 0.00 H new ATOM 273 N LEU A 19 -5.733 0.741 6.145 1.00 0.00 N ATOM 274 CA LEU A 19 -5.360 -0.457 5.401 1.00 0.00 C ATOM 275 C LEU A 19 -4.633 -1.452 6.301 1.00 0.00 C ATOM 276 O LEU A 19 -4.918 -2.649 6.274 1.00 0.00 O ATOM 277 CB LEU A 19 -4.473 -0.088 4.211 1.00 0.00 C ATOM 278 CG LEU A 19 -5.135 0.747 3.115 1.00 0.00 C ATOM 279 CD1 LEU A 19 -4.106 1.620 2.414 1.00 0.00 C ATOM 280 CD2 LEU A 19 -5.844 -0.152 2.113 1.00 0.00 C ATOM 0 H LEU A 19 -5.285 1.597 5.817 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.273 -0.925 5.034 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.608 0.459 4.584 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.099 -1.009 3.763 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.877 1.396 3.579 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.596 2.207 1.637 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.644 2.291 3.138 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.340 0.989 1.963 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.309 0.460 1.340 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.121 -0.827 1.655 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.610 -0.734 2.625 1.00 0.00 H new ATOM 292 N GLN A 20 -3.697 -0.948 7.097 1.00 0.00 N ATOM 293 CA GLN A 20 -2.932 -1.792 8.007 1.00 0.00 C ATOM 294 C GLN A 20 -3.859 -2.643 8.870 1.00 0.00 C ATOM 295 O GLN A 20 -3.600 -3.824 9.096 1.00 0.00 O ATOM 296 CB GLN A 20 -2.031 -0.936 8.897 1.00 0.00 C ATOM 297 CG GLN A 20 -0.832 -0.352 8.167 1.00 0.00 C ATOM 298 CD GLN A 20 0.358 -0.134 9.081 1.00 0.00 C ATOM 299 OE1 GLN A 20 0.698 1.001 9.416 1.00 0.00 O ATOM 300 NE2 GLN A 20 0.999 -1.223 9.488 1.00 0.00 N ATOM 0 H GLN A 20 -3.450 0.041 7.131 1.00 0.00 H new ATOM 0 HA GLN A 20 -2.311 -2.457 7.408 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -2.620 -0.122 9.320 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -1.678 -1.542 9.732 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.544 -1.021 7.356 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -1.115 0.597 7.713 1.00 0.00 H new ATOM 0 HE21 GLN A 20 0.682 -2.144 9.185 1.00 0.00 H new ATOM 0 HE22 GLN A 20 1.808 -1.139 10.103 1.00 0.00 H new ATOM 309 N GLU A 21 -4.939 -2.033 9.348 1.00 0.00 N ATOM 310 CA GLU A 21 -5.903 -2.735 10.188 1.00 0.00 C ATOM 311 C GLU A 21 -6.214 -4.117 9.621 1.00 0.00 C ATOM 312 O GLU A 21 -6.250 -5.107 10.352 1.00 0.00 O ATOM 313 CB GLU A 21 -7.192 -1.920 10.312 1.00 0.00 C ATOM 314 CG GLU A 21 -7.012 -0.602 11.046 1.00 0.00 C ATOM 315 CD GLU A 21 -6.513 -0.789 12.466 1.00 0.00 C ATOM 316 OE1 GLU A 21 -7.352 -1.013 13.364 1.00 0.00 O ATOM 317 OE2 GLU A 21 -5.286 -0.711 12.679 1.00 0.00 O ATOM 0 H GLU A 21 -5.168 -1.056 9.168 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.463 -2.859 11.178 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -7.582 -1.720 9.314 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.940 -2.517 10.833 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.308 0.022 10.497 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.962 -0.069 11.066 1.00 0.00 H new ATOM 324 N LYS A 22 -6.437 -4.176 8.312 1.00 0.00 N ATOM 325 CA LYS A 22 -6.745 -5.435 7.645 1.00 0.00 C ATOM 326 C LYS A 22 -5.663 -6.475 7.920 1.00 0.00 C ATOM 327 O LYS A 22 -5.950 -7.666 8.036 1.00 0.00 O ATOM 328 CB LYS A 22 -6.884 -5.216 6.137 1.00 0.00 C ATOM 329 CG LYS A 22 -7.884 -4.132 5.769 1.00 0.00 C ATOM 330 CD LYS A 22 -9.306 -4.551 6.102 1.00 0.00 C ATOM 331 CE LYS A 22 -10.266 -3.373 6.027 1.00 0.00 C ATOM 332 NZ LYS A 22 -11.478 -3.591 6.862 1.00 0.00 N ATOM 0 H LYS A 22 -6.410 -3.366 7.692 1.00 0.00 H new ATOM 0 HA LYS A 22 -7.690 -5.806 8.041 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -5.909 -4.954 5.725 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.187 -6.152 5.669 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.640 -3.214 6.303 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.808 -3.912 4.704 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -9.629 -5.329 5.410 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.335 -4.982 7.103 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -9.756 -2.468 6.356 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -10.563 -3.212 4.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -12.205 -2.893 6.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -11.845 -4.550 6.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -11.232 -3.483 7.867 1.00 0.00 H new ATOM 346 N ASP A 23 -4.420 -6.016 8.023 1.00 0.00 N ATOM 347 CA ASP A 23 -3.296 -6.907 8.287 1.00 0.00 C ATOM 348 C ASP A 23 -3.257 -7.311 9.758 1.00 0.00 C ATOM 349 O ASP A 23 -3.126 -6.466 10.643 1.00 0.00 O ATOM 350 CB ASP A 23 -1.980 -6.230 7.897 1.00 0.00 C ATOM 351 CG ASP A 23 -0.797 -7.175 7.980 1.00 0.00 C ATOM 352 OD1 ASP A 23 -0.965 -8.291 8.515 1.00 0.00 O ATOM 353 OD2 ASP A 23 0.296 -6.800 7.507 1.00 0.00 O ATOM 0 H ASP A 23 -4.166 -5.033 7.928 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.427 -7.806 7.685 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -2.061 -5.842 6.882 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -1.806 -5.376 8.552 1.00 0.00 H new ATOM 358 N THR A 24 -3.373 -8.612 10.010 1.00 0.00 N ATOM 359 CA THR A 24 -3.355 -9.130 11.373 1.00 0.00 C ATOM 360 C THR A 24 -2.158 -10.048 11.595 1.00 0.00 C ATOM 361 O THR A 24 -1.642 -10.153 12.708 1.00 0.00 O ATOM 362 CB THR A 24 -4.647 -9.902 11.698 1.00 0.00 C ATOM 363 OG1 THR A 24 -4.681 -11.131 10.964 1.00 0.00 O ATOM 364 CG2 THR A 24 -5.874 -9.069 11.362 1.00 0.00 C ATOM 0 H THR A 24 -3.480 -9.325 9.289 1.00 0.00 H new ATOM 0 HA THR A 24 -3.279 -8.270 12.038 1.00 0.00 H new ATOM 0 HB THR A 24 -4.657 -10.118 12.766 1.00 0.00 H new ATOM 0 HG1 THR A 24 -5.505 -11.617 11.178 1.00 0.00 H new ATOM 0 HG21 THR A 24 -6.774 -9.635 11.600 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.860 -8.148 11.945 1.00 0.00 H new ATOM 0 HG23 THR A 24 -5.869 -8.826 10.300 1.00 0.00 H new ATOM 372 N GLY A 25 -1.719 -10.710 10.529 1.00 0.00 N ATOM 373 CA GLY A 25 -0.586 -11.610 10.630 1.00 0.00 C ATOM 374 C GLY A 25 0.741 -10.881 10.557 1.00 0.00 C ATOM 375 O GLY A 25 1.802 -11.502 10.618 1.00 0.00 O ATOM 0 H GLY A 25 -2.128 -10.639 9.597 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.644 -12.159 11.570 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.638 -12.346 9.827 1.00 0.00 H new ATOM 379 N ASN A 26 0.683 -9.560 10.422 1.00 0.00 N ATOM 380 CA ASN A 26 1.890 -8.746 10.338 1.00 0.00 C ATOM 381 C ASN A 26 2.835 -9.284 9.267 1.00 0.00 C ATOM 382 O ASN A 26 4.054 -9.269 9.437 1.00 0.00 O ATOM 383 CB ASN A 26 2.601 -8.711 11.691 1.00 0.00 C ATOM 384 CG ASN A 26 1.900 -7.811 12.690 1.00 0.00 C ATOM 385 OD1 ASN A 26 1.125 -6.933 12.313 1.00 0.00 O ATOM 386 ND2 ASN A 26 2.171 -8.027 13.972 1.00 0.00 N ATOM 0 H ASN A 26 -0.187 -9.031 10.368 1.00 0.00 H new ATOM 0 HA ASN A 26 1.597 -7.733 10.063 1.00 0.00 H new ATOM 0 HB2 ASN A 26 2.658 -9.722 12.095 1.00 0.00 H new ATOM 0 HB3 ASN A 26 3.625 -8.365 11.551 1.00 0.00 H new ATOM 0 HD21 ASN A 26 1.729 -7.453 14.690 1.00 0.00 H new ATOM 0 HD22 ASN A 26 2.821 -8.767 14.238 1.00 0.00 H new ATOM 393 N ILE A 27 2.263 -9.759 8.166 1.00 0.00 N ATOM 394 CA ILE A 27 3.055 -10.300 7.067 1.00 0.00 C ATOM 395 C ILE A 27 3.597 -9.185 6.180 1.00 0.00 C ATOM 396 O ILE A 27 4.758 -9.212 5.771 1.00 0.00 O ATOM 397 CB ILE A 27 2.228 -11.271 6.204 1.00 0.00 C ATOM 398 CG1 ILE A 27 1.711 -12.432 7.056 1.00 0.00 C ATOM 399 CG2 ILE A 27 3.065 -11.791 5.044 1.00 0.00 C ATOM 400 CD1 ILE A 27 0.695 -13.298 6.345 1.00 0.00 C ATOM 0 H ILE A 27 1.255 -9.781 8.011 1.00 0.00 H new ATOM 0 HA ILE A 27 3.888 -10.843 7.514 1.00 0.00 H new ATOM 0 HB ILE A 27 1.371 -10.733 5.798 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.554 -13.052 7.361 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.263 -12.033 7.966 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.468 -12.476 4.443 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.390 -10.954 4.426 1.00 0.00 H new ATOM 0 HG23 ILE A 27 3.938 -12.316 5.432 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.373 -14.100 7.009 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.166 -12.692 6.064 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.145 -13.727 5.450 1.00 0.00 H new ATOM 412 N PHE A 28 2.751 -8.204 5.887 1.00 0.00 N ATOM 413 CA PHE A 28 3.146 -7.078 5.049 1.00 0.00 C ATOM 414 C PHE A 28 3.569 -5.886 5.903 1.00 0.00 C ATOM 415 O PHE A 28 4.175 -4.937 5.407 1.00 0.00 O ATOM 416 CB PHE A 28 1.996 -6.674 4.124 1.00 0.00 C ATOM 417 CG PHE A 28 1.156 -7.835 3.670 1.00 0.00 C ATOM 418 CD1 PHE A 28 1.478 -8.530 2.516 1.00 0.00 C ATOM 419 CD2 PHE A 28 0.045 -8.230 4.398 1.00 0.00 C ATOM 420 CE1 PHE A 28 0.709 -9.599 2.096 1.00 0.00 C ATOM 421 CE2 PHE A 28 -0.728 -9.297 3.984 1.00 0.00 C ATOM 422 CZ PHE A 28 -0.397 -9.982 2.830 1.00 0.00 C ATOM 0 H PHE A 28 1.787 -8.166 6.218 1.00 0.00 H new ATOM 0 HA PHE A 28 3.997 -7.390 4.444 1.00 0.00 H new ATOM 0 HB2 PHE A 28 1.360 -5.955 4.641 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.404 -6.167 3.250 1.00 0.00 H new ATOM 0 HD1 PHE A 28 2.340 -8.233 1.937 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -0.219 -7.697 5.300 1.00 0.00 H new ATOM 0 HE1 PHE A 28 0.972 -10.134 1.196 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -1.590 -9.596 4.561 1.00 0.00 H new ATOM 0 HZ PHE A 28 -1.002 -10.815 2.503 1.00 0.00 H new ATOM 432 N SER A 29 3.242 -5.942 7.190 1.00 0.00 N ATOM 433 CA SER A 29 3.584 -4.866 8.113 1.00 0.00 C ATOM 434 C SER A 29 5.091 -4.630 8.138 1.00 0.00 C ATOM 435 O SER A 29 5.561 -3.613 8.648 1.00 0.00 O ATOM 436 CB SER A 29 3.085 -5.196 9.521 1.00 0.00 C ATOM 437 OG SER A 29 2.797 -4.015 10.250 1.00 0.00 O ATOM 0 H SER A 29 2.741 -6.721 7.617 1.00 0.00 H new ATOM 0 HA SER A 29 3.097 -3.955 7.766 1.00 0.00 H new ATOM 0 HB2 SER A 29 2.190 -5.815 9.457 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.839 -5.779 10.050 1.00 0.00 H new ATOM 0 HG SER A 29 2.479 -4.253 11.146 1.00 0.00 H new ATOM 443 N GLU A 30 5.841 -5.576 7.583 1.00 0.00 N ATOM 444 CA GLU A 30 7.295 -5.471 7.542 1.00 0.00 C ATOM 445 C GLU A 30 7.841 -5.991 6.215 1.00 0.00 C ATOM 446 O GLU A 30 7.248 -6.852 5.567 1.00 0.00 O ATOM 447 CB GLU A 30 7.917 -6.251 8.703 1.00 0.00 C ATOM 448 CG GLU A 30 7.294 -5.933 10.052 1.00 0.00 C ATOM 449 CD GLU A 30 8.215 -6.262 11.212 1.00 0.00 C ATOM 450 OE1 GLU A 30 8.245 -7.439 11.629 1.00 0.00 O ATOM 451 OE2 GLU A 30 8.904 -5.343 11.701 1.00 0.00 O ATOM 0 H GLU A 30 5.467 -6.423 7.156 1.00 0.00 H new ATOM 0 HA GLU A 30 7.561 -4.418 7.637 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.816 -7.319 8.508 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.984 -6.034 8.745 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.034 -4.875 10.088 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.365 -6.493 10.160 1.00 0.00 H new ATOM 458 N PRO A 31 8.998 -5.455 5.802 1.00 0.00 N ATOM 459 CA PRO A 31 9.651 -5.849 4.550 1.00 0.00 C ATOM 460 C PRO A 31 10.214 -7.264 4.610 1.00 0.00 C ATOM 461 O PRO A 31 10.482 -7.791 5.690 1.00 0.00 O ATOM 462 CB PRO A 31 10.782 -4.828 4.403 1.00 0.00 C ATOM 463 CG PRO A 31 11.074 -4.382 5.794 1.00 0.00 C ATOM 464 CD PRO A 31 9.761 -4.422 6.526 1.00 0.00 C ATOM 0 HA PRO A 31 8.954 -5.857 3.712 1.00 0.00 H new ATOM 0 HB2 PRO A 31 11.661 -5.275 3.938 1.00 0.00 H new ATOM 0 HB3 PRO A 31 10.480 -3.991 3.774 1.00 0.00 H new ATOM 0 HG2 PRO A 31 11.805 -5.037 6.268 1.00 0.00 H new ATOM 0 HG3 PRO A 31 11.494 -3.376 5.801 1.00 0.00 H new ATOM 0 HD2 PRO A 31 9.894 -4.683 7.576 1.00 0.00 H new ATOM 0 HD3 PRO A 31 9.256 -3.456 6.499 1.00 0.00 H new ATOM 472 N VAL A 32 10.394 -7.875 3.444 1.00 0.00 N ATOM 473 CA VAL A 32 10.929 -9.229 3.364 1.00 0.00 C ATOM 474 C VAL A 32 12.452 -9.223 3.420 1.00 0.00 C ATOM 475 O VAL A 32 13.125 -8.558 2.634 1.00 0.00 O ATOM 476 CB VAL A 32 10.477 -9.936 2.072 1.00 0.00 C ATOM 477 CG1 VAL A 32 11.119 -11.311 1.962 1.00 0.00 C ATOM 478 CG2 VAL A 32 8.960 -10.041 2.025 1.00 0.00 C ATOM 0 H VAL A 32 10.177 -7.454 2.541 1.00 0.00 H new ATOM 0 HA VAL A 32 10.539 -9.774 4.224 1.00 0.00 H new ATOM 0 HB VAL A 32 10.804 -9.340 1.220 1.00 0.00 H new ATOM 0 HG11 VAL A 32 10.788 -11.795 1.043 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.204 -11.206 1.946 1.00 0.00 H new ATOM 0 HG13 VAL A 32 10.826 -11.919 2.818 1.00 0.00 H new ATOM 0 HG21 VAL A 32 8.658 -10.543 1.106 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.608 -10.613 2.883 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.525 -9.042 2.052 1.00 0.00 H new ATOM 488 N PRO A 33 13.012 -9.983 4.374 1.00 0.00 N ATOM 489 CA PRO A 33 14.462 -10.083 4.556 1.00 0.00 C ATOM 490 C PRO A 33 15.139 -10.841 3.418 1.00 0.00 C ATOM 491 O PRO A 33 14.737 -11.954 3.074 1.00 0.00 O ATOM 492 CB PRO A 33 14.602 -10.856 5.870 1.00 0.00 C ATOM 493 CG PRO A 33 13.343 -11.645 5.982 1.00 0.00 C ATOM 494 CD PRO A 33 12.270 -10.803 5.347 1.00 0.00 C ATOM 0 HA PRO A 33 14.939 -9.103 4.568 1.00 0.00 H new ATOM 0 HB2 PRO A 33 15.477 -11.506 5.855 1.00 0.00 H new ATOM 0 HB3 PRO A 33 14.722 -10.180 6.716 1.00 0.00 H new ATOM 0 HG2 PRO A 33 13.437 -12.605 5.475 1.00 0.00 H new ATOM 0 HG3 PRO A 33 13.107 -11.857 7.025 1.00 0.00 H new ATOM 0 HD2 PRO A 33 11.512 -11.417 4.860 1.00 0.00 H new ATOM 0 HD3 PRO A 33 11.755 -10.186 6.083 1.00 0.00 H new ATOM 502 N LEU A 34 16.166 -10.232 2.838 1.00 0.00 N ATOM 503 CA LEU A 34 16.900 -10.850 1.738 1.00 0.00 C ATOM 504 C LEU A 34 17.699 -12.054 2.224 1.00 0.00 C ATOM 505 O LEU A 34 17.809 -13.061 1.525 1.00 0.00 O ATOM 506 CB LEU A 34 17.836 -9.830 1.087 1.00 0.00 C ATOM 507 CG LEU A 34 17.162 -8.675 0.347 1.00 0.00 C ATOM 508 CD1 LEU A 34 18.175 -7.920 -0.501 1.00 0.00 C ATOM 509 CD2 LEU A 34 16.019 -9.190 -0.517 1.00 0.00 C ATOM 0 H LEU A 34 16.510 -9.311 3.110 1.00 0.00 H new ATOM 0 HA LEU A 34 16.176 -11.193 0.999 1.00 0.00 H new ATOM 0 HB2 LEU A 34 18.480 -9.412 1.861 1.00 0.00 H new ATOM 0 HB3 LEU A 34 18.482 -10.357 0.385 1.00 0.00 H new ATOM 0 HG LEU A 34 16.752 -7.986 1.085 1.00 0.00 H new ATOM 0 HD11 LEU A 34 17.677 -7.101 -1.020 1.00 0.00 H new ATOM 0 HD12 LEU A 34 18.959 -7.519 0.141 1.00 0.00 H new ATOM 0 HD13 LEU A 34 18.616 -8.598 -1.232 1.00 0.00 H new ATOM 0 HD21 LEU A 34 15.550 -8.354 -1.037 1.00 0.00 H new ATOM 0 HD22 LEU A 34 16.407 -9.900 -1.248 1.00 0.00 H new ATOM 0 HD23 LEU A 34 15.281 -9.685 0.114 1.00 0.00 H new ATOM 521 N SER A 35 18.252 -11.944 3.427 1.00 0.00 N ATOM 522 CA SER A 35 19.041 -13.024 4.007 1.00 0.00 C ATOM 523 C SER A 35 18.307 -14.356 3.895 1.00 0.00 C ATOM 524 O SER A 35 18.921 -15.400 3.684 1.00 0.00 O ATOM 525 CB SER A 35 19.356 -12.723 5.474 1.00 0.00 C ATOM 526 OG SER A 35 18.167 -12.577 6.232 1.00 0.00 O ATOM 0 H SER A 35 18.168 -11.118 4.019 1.00 0.00 H new ATOM 0 HA SER A 35 19.975 -13.097 3.450 1.00 0.00 H new ATOM 0 HB2 SER A 35 19.961 -13.528 5.892 1.00 0.00 H new ATOM 0 HB3 SER A 35 19.949 -11.811 5.542 1.00 0.00 H new ATOM 0 HG SER A 35 18.396 -12.387 7.166 1.00 0.00 H new ATOM 532 N GLU A 36 16.986 -14.309 4.041 1.00 0.00 N ATOM 533 CA GLU A 36 16.166 -15.512 3.956 1.00 0.00 C ATOM 534 C GLU A 36 15.699 -15.754 2.524 1.00 0.00 C ATOM 535 O GLU A 36 15.491 -16.895 2.111 1.00 0.00 O ATOM 536 CB GLU A 36 14.956 -15.398 4.887 1.00 0.00 C ATOM 537 CG GLU A 36 14.284 -16.730 5.178 1.00 0.00 C ATOM 538 CD GLU A 36 13.625 -16.763 6.543 1.00 0.00 C ATOM 539 OE1 GLU A 36 14.344 -16.614 7.553 1.00 0.00 O ATOM 540 OE2 GLU A 36 12.390 -16.940 6.602 1.00 0.00 O ATOM 0 H GLU A 36 16.462 -13.452 4.218 1.00 0.00 H new ATOM 0 HA GLU A 36 16.777 -16.359 4.267 1.00 0.00 H new ATOM 0 HB2 GLU A 36 15.273 -14.947 5.828 1.00 0.00 H new ATOM 0 HB3 GLU A 36 14.227 -14.723 4.440 1.00 0.00 H new ATOM 0 HG2 GLU A 36 13.535 -16.930 4.412 1.00 0.00 H new ATOM 0 HG3 GLU A 36 15.024 -17.528 5.116 1.00 0.00 H new ATOM 547 N VAL A 37 15.534 -14.671 1.771 1.00 0.00 N ATOM 548 CA VAL A 37 15.092 -14.763 0.385 1.00 0.00 C ATOM 549 C VAL A 37 16.046 -14.024 -0.546 1.00 0.00 C ATOM 550 O VAL A 37 15.843 -12.860 -0.889 1.00 0.00 O ATOM 551 CB VAL A 37 13.674 -14.189 0.209 1.00 0.00 C ATOM 552 CG1 VAL A 37 12.968 -14.859 -0.960 1.00 0.00 C ATOM 553 CG2 VAL A 37 12.870 -14.351 1.491 1.00 0.00 C ATOM 0 H VAL A 37 15.700 -13.719 2.098 1.00 0.00 H new ATOM 0 HA VAL A 37 15.082 -15.822 0.126 1.00 0.00 H new ATOM 0 HB VAL A 37 13.757 -13.124 -0.009 1.00 0.00 H new ATOM 0 HG11 VAL A 37 11.967 -14.441 -1.069 1.00 0.00 H new ATOM 0 HG12 VAL A 37 13.535 -14.687 -1.875 1.00 0.00 H new ATOM 0 HG13 VAL A 37 12.895 -15.931 -0.775 1.00 0.00 H new ATOM 0 HG21 VAL A 37 11.871 -13.940 1.348 1.00 0.00 H new ATOM 0 HG22 VAL A 37 12.795 -15.409 1.742 1.00 0.00 H new ATOM 0 HG23 VAL A 37 13.368 -13.820 2.302 1.00 0.00 H new ATOM 563 N PRO A 38 17.115 -14.717 -0.969 1.00 0.00 N ATOM 564 CA PRO A 38 18.122 -14.147 -1.868 1.00 0.00 C ATOM 565 C PRO A 38 17.584 -13.929 -3.278 1.00 0.00 C ATOM 566 O PRO A 38 18.149 -13.162 -4.057 1.00 0.00 O ATOM 567 CB PRO A 38 19.229 -15.204 -1.876 1.00 0.00 C ATOM 568 CG PRO A 38 18.537 -16.480 -1.538 1.00 0.00 C ATOM 569 CD PRO A 38 17.421 -16.110 -0.601 1.00 0.00 C ATOM 0 HA PRO A 38 18.455 -13.164 -1.536 1.00 0.00 H new ATOM 0 HB2 PRO A 38 19.713 -15.263 -2.851 1.00 0.00 H new ATOM 0 HB3 PRO A 38 20.005 -14.970 -1.148 1.00 0.00 H new ATOM 0 HG2 PRO A 38 18.149 -16.963 -2.435 1.00 0.00 H new ATOM 0 HG3 PRO A 38 19.224 -17.184 -1.068 1.00 0.00 H new ATOM 0 HD2 PRO A 38 16.555 -16.759 -0.731 1.00 0.00 H new ATOM 0 HD3 PRO A 38 17.728 -16.192 0.442 1.00 0.00 H new ATOM 577 N ASP A 39 16.489 -14.609 -3.600 1.00 0.00 N ATOM 578 CA ASP A 39 15.873 -14.489 -4.917 1.00 0.00 C ATOM 579 C ASP A 39 14.605 -13.644 -4.848 1.00 0.00 C ATOM 580 O ASP A 39 13.742 -13.729 -5.722 1.00 0.00 O ATOM 581 CB ASP A 39 15.549 -15.873 -5.480 1.00 0.00 C ATOM 582 CG ASP A 39 15.515 -15.888 -6.995 1.00 0.00 C ATOM 583 OD1 ASP A 39 16.526 -15.498 -7.616 1.00 0.00 O ATOM 584 OD2 ASP A 39 14.477 -16.290 -7.561 1.00 0.00 O ATOM 0 H ASP A 39 16.009 -15.249 -2.967 1.00 0.00 H new ATOM 0 HA ASP A 39 16.583 -13.994 -5.580 1.00 0.00 H new ATOM 0 HB2 ASP A 39 16.293 -16.588 -5.129 1.00 0.00 H new ATOM 0 HB3 ASP A 39 14.584 -16.202 -5.095 1.00 0.00 H new ATOM 589 N TYR A 40 14.499 -12.830 -3.803 1.00 0.00 N ATOM 590 CA TYR A 40 13.334 -11.972 -3.619 1.00 0.00 C ATOM 591 C TYR A 40 13.145 -11.045 -4.815 1.00 0.00 C ATOM 592 O TYR A 40 12.145 -11.131 -5.530 1.00 0.00 O ATOM 593 CB TYR A 40 13.480 -11.147 -2.339 1.00 0.00 C ATOM 594 CG TYR A 40 12.230 -10.382 -1.965 1.00 0.00 C ATOM 595 CD1 TYR A 40 10.977 -10.973 -2.061 1.00 0.00 C ATOM 596 CD2 TYR A 40 12.304 -9.070 -1.514 1.00 0.00 C ATOM 597 CE1 TYR A 40 9.832 -10.277 -1.723 1.00 0.00 C ATOM 598 CE2 TYR A 40 11.165 -8.367 -1.171 1.00 0.00 C ATOM 599 CZ TYR A 40 9.931 -8.975 -1.277 1.00 0.00 C ATOM 600 OH TYR A 40 8.794 -8.280 -0.936 1.00 0.00 O ATOM 0 H TYR A 40 15.205 -12.746 -3.071 1.00 0.00 H new ATOM 0 HA TYR A 40 12.454 -12.610 -3.535 1.00 0.00 H new ATOM 0 HB2 TYR A 40 13.749 -11.811 -1.518 1.00 0.00 H new ATOM 0 HB3 TYR A 40 14.303 -10.443 -2.462 1.00 0.00 H new ATOM 0 HD1 TYR A 40 10.896 -11.993 -2.405 1.00 0.00 H new ATOM 0 HD2 TYR A 40 13.268 -8.591 -1.430 1.00 0.00 H new ATOM 0 HE1 TYR A 40 8.865 -10.750 -1.807 1.00 0.00 H new ATOM 0 HE2 TYR A 40 11.240 -7.348 -0.822 1.00 0.00 H new ATOM 0 HH TYR A 40 9.038 -7.378 -0.641 1.00 0.00 H new ATOM 610 N LEU A 41 14.112 -10.159 -5.029 1.00 0.00 N ATOM 611 CA LEU A 41 14.055 -9.216 -6.139 1.00 0.00 C ATOM 612 C LEU A 41 14.015 -9.950 -7.476 1.00 0.00 C ATOM 613 O LEU A 41 13.288 -9.558 -8.389 1.00 0.00 O ATOM 614 CB LEU A 41 15.259 -8.273 -6.096 1.00 0.00 C ATOM 615 CG LEU A 41 15.578 -7.654 -4.735 1.00 0.00 C ATOM 616 CD1 LEU A 41 16.931 -6.961 -4.770 1.00 0.00 C ATOM 617 CD2 LEU A 41 14.486 -6.675 -4.326 1.00 0.00 C ATOM 0 H LEU A 41 14.946 -10.075 -4.447 1.00 0.00 H new ATOM 0 HA LEU A 41 13.141 -8.631 -6.040 1.00 0.00 H new ATOM 0 HB2 LEU A 41 16.137 -8.821 -6.438 1.00 0.00 H new ATOM 0 HB3 LEU A 41 15.089 -7.466 -6.809 1.00 0.00 H new ATOM 0 HG LEU A 41 15.619 -8.452 -3.994 1.00 0.00 H new ATOM 0 HD11 LEU A 41 17.142 -6.526 -3.793 1.00 0.00 H new ATOM 0 HD12 LEU A 41 17.705 -7.687 -5.019 1.00 0.00 H new ATOM 0 HD13 LEU A 41 16.917 -6.173 -5.523 1.00 0.00 H new ATOM 0 HD21 LEU A 41 14.729 -6.244 -3.355 1.00 0.00 H new ATOM 0 HD22 LEU A 41 14.413 -5.880 -5.068 1.00 0.00 H new ATOM 0 HD23 LEU A 41 13.533 -7.199 -4.262 1.00 0.00 H new ATOM 629 N ASP A 42 14.800 -11.017 -7.582 1.00 0.00 N ATOM 630 CA ASP A 42 14.852 -11.808 -8.806 1.00 0.00 C ATOM 631 C ASP A 42 13.461 -11.962 -9.413 1.00 0.00 C ATOM 632 O ASP A 42 13.309 -12.026 -10.634 1.00 0.00 O ATOM 633 CB ASP A 42 15.454 -13.185 -8.522 1.00 0.00 C ATOM 634 CG ASP A 42 16.967 -13.186 -8.615 1.00 0.00 C ATOM 635 OD1 ASP A 42 17.606 -12.386 -7.899 1.00 0.00 O ATOM 636 OD2 ASP A 42 17.512 -13.987 -9.403 1.00 0.00 O ATOM 0 H ASP A 42 15.408 -11.354 -6.836 1.00 0.00 H new ATOM 0 HA ASP A 42 15.485 -11.284 -9.522 1.00 0.00 H new ATOM 0 HB2 ASP A 42 15.154 -13.511 -7.526 1.00 0.00 H new ATOM 0 HB3 ASP A 42 15.049 -13.908 -9.230 1.00 0.00 H new ATOM 641 N HIS A 43 12.449 -12.024 -8.554 1.00 0.00 N ATOM 642 CA HIS A 43 11.070 -12.171 -9.007 1.00 0.00 C ATOM 643 C HIS A 43 10.297 -10.867 -8.828 1.00 0.00 C ATOM 644 O HIS A 43 9.453 -10.518 -9.653 1.00 0.00 O ATOM 645 CB HIS A 43 10.377 -13.297 -8.240 1.00 0.00 C ATOM 646 CG HIS A 43 10.933 -14.656 -8.539 1.00 0.00 C ATOM 647 ND1 HIS A 43 10.291 -15.569 -9.348 1.00 0.00 N ATOM 648 CD2 HIS A 43 12.078 -15.253 -8.134 1.00 0.00 C ATOM 649 CE1 HIS A 43 11.018 -16.671 -9.426 1.00 0.00 C ATOM 650 NE2 HIS A 43 12.108 -16.504 -8.699 1.00 0.00 N ATOM 0 H HIS A 43 12.557 -11.975 -7.541 1.00 0.00 H new ATOM 0 HA HIS A 43 11.087 -12.420 -10.068 1.00 0.00 H new ATOM 0 HB2 HIS A 43 10.465 -13.105 -7.171 1.00 0.00 H new ATOM 0 HB3 HIS A 43 9.314 -13.288 -8.479 1.00 0.00 H new ATOM 0 HD2 HIS A 43 12.829 -14.825 -7.486 1.00 0.00 H new ATOM 0 HE1 HIS A 43 10.764 -17.557 -9.989 1.00 0.00 H new ATOM 0 HE2 HIS A 43 12.851 -17.192 -8.577 1.00 0.00 H new ATOM 659 N ILE A 44 10.592 -10.154 -7.746 1.00 0.00 N ATOM 660 CA ILE A 44 9.924 -8.891 -7.460 1.00 0.00 C ATOM 661 C ILE A 44 10.773 -7.706 -7.910 1.00 0.00 C ATOM 662 O ILE A 44 11.804 -7.403 -7.309 1.00 0.00 O ATOM 663 CB ILE A 44 9.615 -8.744 -5.958 1.00 0.00 C ATOM 664 CG1 ILE A 44 8.725 -9.895 -5.483 1.00 0.00 C ATOM 665 CG2 ILE A 44 8.949 -7.405 -5.683 1.00 0.00 C ATOM 666 CD1 ILE A 44 7.508 -10.117 -6.355 1.00 0.00 C ATOM 0 H ILE A 44 11.289 -10.430 -7.054 1.00 0.00 H new ATOM 0 HA ILE A 44 8.987 -8.897 -8.017 1.00 0.00 H new ATOM 0 HB ILE A 44 10.553 -8.782 -5.404 1.00 0.00 H new ATOM 0 HG12 ILE A 44 9.314 -10.812 -5.455 1.00 0.00 H new ATOM 0 HG13 ILE A 44 8.399 -9.694 -4.462 1.00 0.00 H new ATOM 0 HG21 ILE A 44 8.737 -7.316 -4.618 1.00 0.00 H new ATOM 0 HG22 ILE A 44 9.615 -6.598 -5.989 1.00 0.00 H new ATOM 0 HG23 ILE A 44 8.017 -7.340 -6.245 1.00 0.00 H new ATOM 0 HD11 ILE A 44 6.923 -10.947 -5.959 1.00 0.00 H new ATOM 0 HD12 ILE A 44 6.897 -9.214 -6.363 1.00 0.00 H new ATOM 0 HD13 ILE A 44 7.826 -10.349 -7.371 1.00 0.00 H new ATOM 678 N LYS A 45 10.333 -7.039 -8.971 1.00 0.00 N ATOM 679 CA LYS A 45 11.050 -5.886 -9.503 1.00 0.00 C ATOM 680 C LYS A 45 10.986 -4.712 -8.530 1.00 0.00 C ATOM 681 O LYS A 45 12.000 -4.074 -8.244 1.00 0.00 O ATOM 682 CB LYS A 45 10.464 -5.475 -10.855 1.00 0.00 C ATOM 683 CG LYS A 45 10.761 -6.460 -11.971 1.00 0.00 C ATOM 684 CD LYS A 45 12.237 -6.465 -12.334 1.00 0.00 C ATOM 685 CE LYS A 45 12.543 -7.492 -13.412 1.00 0.00 C ATOM 686 NZ LYS A 45 12.694 -8.862 -12.847 1.00 0.00 N ATOM 0 H LYS A 45 9.482 -7.277 -9.480 1.00 0.00 H new ATOM 0 HA LYS A 45 12.094 -6.168 -9.638 1.00 0.00 H new ATOM 0 HB2 LYS A 45 9.384 -5.366 -10.755 1.00 0.00 H new ATOM 0 HB3 LYS A 45 10.859 -4.497 -11.130 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.458 -7.461 -11.664 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.170 -6.204 -12.850 1.00 0.00 H new ATOM 0 HD2 LYS A 45 12.531 -5.474 -12.680 1.00 0.00 H new ATOM 0 HD3 LYS A 45 12.830 -6.681 -11.446 1.00 0.00 H new ATOM 0 HE2 LYS A 45 11.743 -7.491 -14.152 1.00 0.00 H new ATOM 0 HE3 LYS A 45 13.459 -7.211 -13.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 12.902 -9.533 -13.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 13.474 -8.870 -12.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 11.812 -9.141 -12.373 1.00 0.00 H new ATOM 700 N LYS A 46 9.790 -4.433 -8.025 1.00 0.00 N ATOM 701 CA LYS A 46 9.594 -3.337 -7.083 1.00 0.00 C ATOM 702 C LYS A 46 8.966 -3.840 -5.786 1.00 0.00 C ATOM 703 O LYS A 46 7.747 -3.832 -5.615 1.00 0.00 O ATOM 704 CB LYS A 46 8.708 -2.255 -7.704 1.00 0.00 C ATOM 705 CG LYS A 46 8.571 -1.012 -6.841 1.00 0.00 C ATOM 706 CD LYS A 46 7.802 0.083 -7.561 1.00 0.00 C ATOM 707 CE LYS A 46 7.066 0.985 -6.581 1.00 0.00 C ATOM 708 NZ LYS A 46 8.008 1.795 -5.759 1.00 0.00 N ATOM 0 H LYS A 46 8.941 -4.951 -8.252 1.00 0.00 H new ATOM 0 HA LYS A 46 10.570 -2.911 -6.853 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.120 -1.971 -8.672 1.00 0.00 H new ATOM 0 HB3 LYS A 46 7.717 -2.670 -7.889 1.00 0.00 H new ATOM 0 HG2 LYS A 46 8.060 -1.267 -5.913 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.561 -0.645 -6.570 1.00 0.00 H new ATOM 0 HD2 LYS A 46 8.491 0.680 -8.159 1.00 0.00 H new ATOM 0 HD3 LYS A 46 7.087 -0.366 -8.251 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.399 1.650 -7.130 1.00 0.00 H new ATOM 0 HE3 LYS A 46 6.442 0.377 -5.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 7.470 2.371 -5.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 8.651 1.161 -5.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 8.562 2.419 -6.380 1.00 0.00 H new ATOM 722 N PRO A 47 9.816 -4.288 -4.851 1.00 0.00 N ATOM 723 CA PRO A 47 9.368 -4.801 -3.552 1.00 0.00 C ATOM 724 C PRO A 47 8.809 -3.701 -2.658 1.00 0.00 C ATOM 725 O PRO A 47 9.553 -2.866 -2.146 1.00 0.00 O ATOM 726 CB PRO A 47 10.643 -5.390 -2.944 1.00 0.00 C ATOM 727 CG PRO A 47 11.754 -4.642 -3.595 1.00 0.00 C ATOM 728 CD PRO A 47 11.282 -4.328 -4.988 1.00 0.00 C ATOM 0 HA PRO A 47 8.557 -5.522 -3.655 1.00 0.00 H new ATOM 0 HB2 PRO A 47 10.661 -5.262 -1.862 1.00 0.00 H new ATOM 0 HB3 PRO A 47 10.718 -6.460 -3.140 1.00 0.00 H new ATOM 0 HG2 PRO A 47 11.984 -3.729 -3.046 1.00 0.00 H new ATOM 0 HG3 PRO A 47 12.666 -5.239 -3.617 1.00 0.00 H new ATOM 0 HD2 PRO A 47 11.679 -3.376 -5.342 1.00 0.00 H new ATOM 0 HD3 PRO A 47 11.598 -5.090 -5.701 1.00 0.00 H new ATOM 736 N MET A 48 7.492 -3.708 -2.472 1.00 0.00 N ATOM 737 CA MET A 48 6.834 -2.711 -1.635 1.00 0.00 C ATOM 738 C MET A 48 6.261 -3.351 -0.375 1.00 0.00 C ATOM 739 O MET A 48 5.951 -4.543 -0.358 1.00 0.00 O ATOM 740 CB MET A 48 5.719 -2.013 -2.418 1.00 0.00 C ATOM 741 CG MET A 48 5.206 -0.749 -1.749 1.00 0.00 C ATOM 742 SD MET A 48 6.513 0.451 -1.435 1.00 0.00 S ATOM 743 CE MET A 48 7.215 0.622 -3.073 1.00 0.00 C ATOM 0 H MET A 48 6.861 -4.392 -2.889 1.00 0.00 H new ATOM 0 HA MET A 48 7.579 -1.972 -1.339 1.00 0.00 H new ATOM 0 HB2 MET A 48 6.087 -1.764 -3.413 1.00 0.00 H new ATOM 0 HB3 MET A 48 4.889 -2.707 -2.549 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.443 -0.293 -2.380 1.00 0.00 H new ATOM 0 HG3 MET A 48 4.725 -1.011 -0.807 1.00 0.00 H new ATOM 0 HE1 MET A 48 7.888 1.479 -3.093 1.00 0.00 H new ATOM 0 HE2 MET A 48 7.770 -0.281 -3.327 1.00 0.00 H new ATOM 0 HE3 MET A 48 6.415 0.772 -3.798 1.00 0.00 H new ATOM 753 N ASP A 49 6.123 -2.553 0.678 1.00 0.00 N ATOM 754 CA ASP A 49 5.588 -3.042 1.943 1.00 0.00 C ATOM 755 C ASP A 49 4.903 -1.918 2.714 1.00 0.00 C ATOM 756 O ASP A 49 4.907 -0.765 2.284 1.00 0.00 O ATOM 757 CB ASP A 49 6.703 -3.654 2.791 1.00 0.00 C ATOM 758 CG ASP A 49 7.248 -4.936 2.195 1.00 0.00 C ATOM 759 OD1 ASP A 49 6.583 -5.984 2.330 1.00 0.00 O ATOM 760 OD2 ASP A 49 8.343 -4.892 1.592 1.00 0.00 O ATOM 0 H ASP A 49 6.374 -1.564 0.680 1.00 0.00 H new ATOM 0 HA ASP A 49 4.847 -3.811 1.723 1.00 0.00 H new ATOM 0 HB2 ASP A 49 7.513 -2.932 2.895 1.00 0.00 H new ATOM 0 HB3 ASP A 49 6.324 -3.855 3.793 1.00 0.00 H new ATOM 765 N PHE A 50 4.314 -2.263 3.855 1.00 0.00 N ATOM 766 CA PHE A 50 3.623 -1.283 4.685 1.00 0.00 C ATOM 767 C PHE A 50 4.610 -0.284 5.283 1.00 0.00 C ATOM 768 O PHE A 50 4.323 0.909 5.377 1.00 0.00 O ATOM 769 CB PHE A 50 2.850 -1.985 5.802 1.00 0.00 C ATOM 770 CG PHE A 50 1.463 -2.401 5.403 1.00 0.00 C ATOM 771 CD1 PHE A 50 0.586 -1.487 4.841 1.00 0.00 C ATOM 772 CD2 PHE A 50 1.037 -3.707 5.587 1.00 0.00 C ATOM 773 CE1 PHE A 50 -0.691 -1.867 4.472 1.00 0.00 C ATOM 774 CE2 PHE A 50 -0.238 -4.092 5.218 1.00 0.00 C ATOM 775 CZ PHE A 50 -1.103 -3.171 4.662 1.00 0.00 C ATOM 0 H PHE A 50 4.302 -3.213 4.225 1.00 0.00 H new ATOM 0 HA PHE A 50 2.921 -0.739 4.053 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.407 -2.866 6.120 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.787 -1.320 6.663 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.904 -0.466 4.690 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.709 -4.432 6.023 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.365 -1.145 4.036 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.558 -5.113 5.365 1.00 0.00 H new ATOM 0 HZ PHE A 50 -2.101 -3.470 4.376 1.00 0.00 H new ATOM 785 N PHE A 51 5.774 -0.783 5.688 1.00 0.00 N ATOM 786 CA PHE A 51 6.804 0.065 6.279 1.00 0.00 C ATOM 787 C PHE A 51 7.613 0.772 5.196 1.00 0.00 C ATOM 788 O PHE A 51 8.063 1.904 5.381 1.00 0.00 O ATOM 789 CB PHE A 51 7.733 -0.769 7.164 1.00 0.00 C ATOM 790 CG PHE A 51 9.038 -0.090 7.468 1.00 0.00 C ATOM 791 CD1 PHE A 51 10.082 -0.125 6.557 1.00 0.00 C ATOM 792 CD2 PHE A 51 9.221 0.582 8.665 1.00 0.00 C ATOM 793 CE1 PHE A 51 11.283 0.498 6.835 1.00 0.00 C ATOM 794 CE2 PHE A 51 10.421 1.207 8.949 1.00 0.00 C ATOM 795 CZ PHE A 51 11.453 1.166 8.032 1.00 0.00 C ATOM 0 H PHE A 51 6.027 -1.769 5.618 1.00 0.00 H new ATOM 0 HA PHE A 51 6.312 0.821 6.891 1.00 0.00 H new ATOM 0 HB2 PHE A 51 7.223 -0.996 8.100 1.00 0.00 H new ATOM 0 HB3 PHE A 51 7.933 -1.721 6.672 1.00 0.00 H new ATOM 0 HD1 PHE A 51 9.955 -0.645 5.619 1.00 0.00 H new ATOM 0 HD2 PHE A 51 8.417 0.618 9.385 1.00 0.00 H new ATOM 0 HE1 PHE A 51 12.089 0.463 6.117 1.00 0.00 H new ATOM 0 HE2 PHE A 51 10.551 1.727 9.887 1.00 0.00 H new ATOM 0 HZ PHE A 51 12.391 1.655 8.250 1.00 0.00 H new ATOM 805 N THR A 52 7.796 0.097 4.065 1.00 0.00 N ATOM 806 CA THR A 52 8.553 0.659 2.954 1.00 0.00 C ATOM 807 C THR A 52 7.814 1.837 2.326 1.00 0.00 C ATOM 808 O THR A 52 8.378 2.918 2.164 1.00 0.00 O ATOM 809 CB THR A 52 8.824 -0.398 1.868 1.00 0.00 C ATOM 810 OG1 THR A 52 9.749 -1.376 2.357 1.00 0.00 O ATOM 811 CG2 THR A 52 9.382 0.250 0.609 1.00 0.00 C ATOM 0 H THR A 52 7.430 -0.840 3.895 1.00 0.00 H new ATOM 0 HA THR A 52 9.504 1.004 3.361 1.00 0.00 H new ATOM 0 HB THR A 52 7.880 -0.883 1.620 1.00 0.00 H new ATOM 0 HG1 THR A 52 9.915 -2.046 1.661 1.00 0.00 H new ATOM 0 HG21 THR A 52 9.566 -0.516 -0.144 1.00 0.00 H new ATOM 0 HG22 THR A 52 8.664 0.973 0.223 1.00 0.00 H new ATOM 0 HG23 THR A 52 10.317 0.758 0.845 1.00 0.00 H new ATOM 819 N MET A 53 6.550 1.619 1.976 1.00 0.00 N ATOM 820 CA MET A 53 5.735 2.664 1.368 1.00 0.00 C ATOM 821 C MET A 53 5.590 3.856 2.309 1.00 0.00 C ATOM 822 O MET A 53 5.459 4.997 1.866 1.00 0.00 O ATOM 823 CB MET A 53 4.355 2.116 1.003 1.00 0.00 C ATOM 824 CG MET A 53 3.331 2.258 2.118 1.00 0.00 C ATOM 825 SD MET A 53 2.440 3.824 2.047 1.00 0.00 S ATOM 826 CE MET A 53 1.482 3.602 0.550 1.00 0.00 C ATOM 0 H MET A 53 6.069 0.729 2.103 1.00 0.00 H new ATOM 0 HA MET A 53 6.236 3.000 0.460 1.00 0.00 H new ATOM 0 HB2 MET A 53 3.990 2.635 0.117 1.00 0.00 H new ATOM 0 HB3 MET A 53 4.449 1.063 0.739 1.00 0.00 H new ATOM 0 HG2 MET A 53 2.618 1.436 2.058 1.00 0.00 H new ATOM 0 HG3 MET A 53 3.834 2.174 3.081 1.00 0.00 H new ATOM 0 HE1 MET A 53 1.678 4.428 -0.133 1.00 0.00 H new ATOM 0 HE2 MET A 53 1.763 2.663 0.074 1.00 0.00 H new ATOM 0 HE3 MET A 53 0.421 3.580 0.797 1.00 0.00 H new ATOM 836 N LYS A 54 5.613 3.585 3.609 1.00 0.00 N ATOM 837 CA LYS A 54 5.484 4.634 4.613 1.00 0.00 C ATOM 838 C LYS A 54 6.659 5.605 4.539 1.00 0.00 C ATOM 839 O LYS A 54 6.469 6.819 4.487 1.00 0.00 O ATOM 840 CB LYS A 54 5.403 4.021 6.013 1.00 0.00 C ATOM 841 CG LYS A 54 4.675 4.897 7.018 1.00 0.00 C ATOM 842 CD LYS A 54 5.421 6.197 7.268 1.00 0.00 C ATOM 843 CE LYS A 54 5.179 6.718 8.676 1.00 0.00 C ATOM 844 NZ LYS A 54 6.108 6.101 9.663 1.00 0.00 N ATOM 0 H LYS A 54 5.720 2.646 3.993 1.00 0.00 H new ATOM 0 HA LYS A 54 4.566 5.186 4.411 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.898 3.057 5.950 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.413 3.828 6.375 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.672 5.117 6.652 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.560 4.356 7.957 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.489 6.040 7.116 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.103 6.946 6.542 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.303 7.801 8.689 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.149 6.511 8.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.911 6.482 10.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.973 5.070 9.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.090 6.320 9.399 1.00 0.00 H new ATOM 858 N GLN A 55 7.871 5.059 4.532 1.00 0.00 N ATOM 859 CA GLN A 55 9.075 5.878 4.463 1.00 0.00 C ATOM 860 C GLN A 55 8.981 6.892 3.327 1.00 0.00 C ATOM 861 O GLN A 55 9.251 8.077 3.516 1.00 0.00 O ATOM 862 CB GLN A 55 10.309 4.993 4.273 1.00 0.00 C ATOM 863 CG GLN A 55 10.493 3.961 5.372 1.00 0.00 C ATOM 864 CD GLN A 55 11.206 4.522 6.587 1.00 0.00 C ATOM 865 OE1 GLN A 55 12.357 4.951 6.503 1.00 0.00 O ATOM 866 NE2 GLN A 55 10.523 4.525 7.726 1.00 0.00 N ATOM 0 H GLN A 55 8.045 4.055 4.573 1.00 0.00 H new ATOM 0 HA GLN A 55 9.168 6.422 5.403 1.00 0.00 H new ATOM 0 HB2 GLN A 55 10.234 4.481 3.314 1.00 0.00 H new ATOM 0 HB3 GLN A 55 11.196 5.625 4.228 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.518 3.578 5.673 1.00 0.00 H new ATOM 0 HG3 GLN A 55 11.060 3.116 4.981 1.00 0.00 H new ATOM 0 HE21 GLN A 55 9.571 4.160 7.751 1.00 0.00 H new ATOM 0 HE22 GLN A 55 10.950 4.893 8.576 1.00 0.00 H new ATOM 875 N ASN A 56 8.597 6.415 2.147 1.00 0.00 N ATOM 876 CA ASN A 56 8.467 7.280 0.979 1.00 0.00 C ATOM 877 C ASN A 56 7.416 8.360 1.216 1.00 0.00 C ATOM 878 O ASN A 56 7.630 9.530 0.895 1.00 0.00 O ATOM 879 CB ASN A 56 8.098 6.454 -0.254 1.00 0.00 C ATOM 880 CG ASN A 56 9.125 5.382 -0.561 1.00 0.00 C ATOM 881 OD1 ASN A 56 10.314 5.547 -0.286 1.00 0.00 O ATOM 882 ND2 ASN A 56 8.669 4.273 -1.133 1.00 0.00 N ATOM 0 H ASN A 56 8.371 5.436 1.974 1.00 0.00 H new ATOM 0 HA ASN A 56 9.428 7.765 0.808 1.00 0.00 H new ATOM 0 HB2 ASN A 56 7.126 5.987 -0.097 1.00 0.00 H new ATOM 0 HB3 ASN A 56 7.999 7.116 -1.115 1.00 0.00 H new ATOM 0 HD21 ASN A 56 9.313 3.515 -1.362 1.00 0.00 H new ATOM 0 HD22 ASN A 56 7.675 4.179 -1.343 1.00 0.00 H new ATOM 889 N LEU A 57 6.283 7.960 1.779 1.00 0.00 N ATOM 890 CA LEU A 57 5.197 8.893 2.061 1.00 0.00 C ATOM 891 C LEU A 57 5.677 10.035 2.951 1.00 0.00 C ATOM 892 O LEU A 57 5.365 11.200 2.706 1.00 0.00 O ATOM 893 CB LEU A 57 4.031 8.165 2.730 1.00 0.00 C ATOM 894 CG LEU A 57 2.936 9.052 3.324 1.00 0.00 C ATOM 895 CD1 LEU A 57 1.595 8.336 3.296 1.00 0.00 C ATOM 896 CD2 LEU A 57 3.294 9.462 4.745 1.00 0.00 C ATOM 0 H LEU A 57 6.091 6.996 2.050 1.00 0.00 H new ATOM 0 HA LEU A 57 4.858 9.313 1.114 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.574 7.501 1.996 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.431 7.535 3.524 1.00 0.00 H new ATOM 0 HG LEU A 57 2.856 9.953 2.716 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.828 8.983 3.723 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.333 8.094 2.266 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.661 7.418 3.879 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.504 10.093 5.152 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.402 8.572 5.364 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.233 10.016 4.738 1.00 0.00 H new ATOM 908 N GLU A 58 6.439 9.692 3.986 1.00 0.00 N ATOM 909 CA GLU A 58 6.964 10.689 4.912 1.00 0.00 C ATOM 910 C GLU A 58 7.987 11.587 4.222 1.00 0.00 C ATOM 911 O GLU A 58 8.242 12.707 4.663 1.00 0.00 O ATOM 912 CB GLU A 58 7.602 10.005 6.123 1.00 0.00 C ATOM 913 CG GLU A 58 6.592 9.408 7.087 1.00 0.00 C ATOM 914 CD GLU A 58 6.121 10.403 8.131 1.00 0.00 C ATOM 915 OE1 GLU A 58 6.901 10.705 9.058 1.00 0.00 O ATOM 916 OE2 GLU A 58 4.973 10.880 8.019 1.00 0.00 O ATOM 0 H GLU A 58 6.706 8.732 4.204 1.00 0.00 H new ATOM 0 HA GLU A 58 6.133 11.308 5.250 1.00 0.00 H new ATOM 0 HB2 GLU A 58 8.269 9.216 5.775 1.00 0.00 H new ATOM 0 HB3 GLU A 58 8.217 10.730 6.657 1.00 0.00 H new ATOM 0 HG2 GLU A 58 5.732 9.042 6.526 1.00 0.00 H new ATOM 0 HG3 GLU A 58 7.037 8.547 7.586 1.00 0.00 H new ATOM 923 N ALA A 59 8.570 11.086 3.138 1.00 0.00 N ATOM 924 CA ALA A 59 9.564 11.842 2.387 1.00 0.00 C ATOM 925 C ALA A 59 8.916 12.612 1.241 1.00 0.00 C ATOM 926 O ALA A 59 9.573 12.942 0.253 1.00 0.00 O ATOM 927 CB ALA A 59 10.644 10.913 1.856 1.00 0.00 C ATOM 0 H ALA A 59 8.371 10.160 2.760 1.00 0.00 H new ATOM 0 HA ALA A 59 10.022 12.564 3.063 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.379 11.492 1.297 1.00 0.00 H new ATOM 0 HB2 ALA A 59 11.135 10.411 2.690 1.00 0.00 H new ATOM 0 HB3 ALA A 59 10.193 10.169 1.200 1.00 0.00 H new ATOM 933 N TYR A 60 7.625 12.895 1.379 1.00 0.00 N ATOM 934 CA TYR A 60 6.889 13.624 0.354 1.00 0.00 C ATOM 935 C TYR A 60 7.148 13.032 -1.028 1.00 0.00 C ATOM 936 O TYR A 60 7.319 13.760 -2.006 1.00 0.00 O ATOM 937 CB TYR A 60 7.280 15.103 0.368 1.00 0.00 C ATOM 938 CG TYR A 60 6.814 15.839 1.604 1.00 0.00 C ATOM 939 CD1 TYR A 60 7.172 15.404 2.874 1.00 0.00 C ATOM 940 CD2 TYR A 60 6.015 16.972 1.501 1.00 0.00 C ATOM 941 CE1 TYR A 60 6.748 16.072 4.005 1.00 0.00 C ATOM 942 CE2 TYR A 60 5.588 17.649 2.627 1.00 0.00 C ATOM 943 CZ TYR A 60 5.957 17.195 3.877 1.00 0.00 C ATOM 944 OH TYR A 60 5.532 17.866 5.001 1.00 0.00 O ATOM 0 H TYR A 60 7.067 12.630 2.191 1.00 0.00 H new ATOM 0 HA TYR A 60 5.825 13.534 0.575 1.00 0.00 H new ATOM 0 HB2 TYR A 60 8.364 15.185 0.294 1.00 0.00 H new ATOM 0 HB3 TYR A 60 6.863 15.589 -0.514 1.00 0.00 H new ATOM 0 HD1 TYR A 60 7.794 14.527 2.978 1.00 0.00 H new ATOM 0 HD2 TYR A 60 5.723 17.329 0.524 1.00 0.00 H new ATOM 0 HE1 TYR A 60 7.034 15.718 4.984 1.00 0.00 H new ATOM 0 HE2 TYR A 60 4.969 18.529 2.530 1.00 0.00 H new ATOM 0 HH TYR A 60 4.985 18.635 4.736 1.00 0.00 H new ATOM 954 N ARG A 61 7.176 11.705 -1.100 1.00 0.00 N ATOM 955 CA ARG A 61 7.415 11.013 -2.361 1.00 0.00 C ATOM 956 C ARG A 61 6.112 10.818 -3.130 1.00 0.00 C ATOM 957 O ARG A 61 6.115 10.678 -4.353 1.00 0.00 O ATOM 958 CB ARG A 61 8.077 9.657 -2.107 1.00 0.00 C ATOM 959 CG ARG A 61 9.538 9.760 -1.699 1.00 0.00 C ATOM 960 CD ARG A 61 10.317 8.519 -2.107 1.00 0.00 C ATOM 961 NE ARG A 61 11.759 8.757 -2.114 1.00 0.00 N ATOM 962 CZ ARG A 61 12.401 9.348 -3.115 1.00 0.00 C ATOM 963 NH1 ARG A 61 11.734 9.762 -4.183 1.00 0.00 N ATOM 964 NH2 ARG A 61 13.714 9.529 -3.047 1.00 0.00 N ATOM 0 H ARG A 61 7.036 11.088 -0.300 1.00 0.00 H new ATOM 0 HA ARG A 61 8.084 11.629 -2.962 1.00 0.00 H new ATOM 0 HB2 ARG A 61 7.526 9.134 -1.325 1.00 0.00 H new ATOM 0 HB3 ARG A 61 8.002 9.051 -3.010 1.00 0.00 H new ATOM 0 HG2 ARG A 61 9.985 10.640 -2.161 1.00 0.00 H new ATOM 0 HG3 ARG A 61 9.607 9.896 -0.620 1.00 0.00 H new ATOM 0 HD2 ARG A 61 10.087 7.704 -1.420 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.997 8.200 -3.099 1.00 0.00 H new ATOM 0 HE ARG A 61 12.302 8.453 -1.306 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.724 9.627 -4.238 1.00 0.00 H new ATOM 0 HH12 ARG A 61 12.230 10.216 -4.950 1.00 0.00 H new ATOM 0 HH21 ARG A 61 14.230 9.214 -2.226 1.00 0.00 H new ATOM 0 HH22 ARG A 61 14.207 9.983 -3.816 1.00 0.00 H new ATOM 978 N TYR A 62 4.999 10.811 -2.405 1.00 0.00 N ATOM 979 CA TYR A 62 3.688 10.630 -3.018 1.00 0.00 C ATOM 980 C TYR A 62 2.896 11.934 -3.004 1.00 0.00 C ATOM 981 O TYR A 62 2.514 12.431 -1.944 1.00 0.00 O ATOM 982 CB TYR A 62 2.906 9.537 -2.287 1.00 0.00 C ATOM 983 CG TYR A 62 3.640 8.218 -2.207 1.00 0.00 C ATOM 984 CD1 TYR A 62 4.202 7.643 -3.339 1.00 0.00 C ATOM 985 CD2 TYR A 62 3.774 7.548 -0.996 1.00 0.00 C ATOM 986 CE1 TYR A 62 4.873 6.437 -3.270 1.00 0.00 C ATOM 987 CE2 TYR A 62 4.444 6.342 -0.918 1.00 0.00 C ATOM 988 CZ TYR A 62 4.992 5.790 -2.057 1.00 0.00 C ATOM 989 OH TYR A 62 5.660 4.590 -1.985 1.00 0.00 O ATOM 0 H TYR A 62 4.978 10.929 -1.392 1.00 0.00 H new ATOM 0 HA TYR A 62 3.838 10.328 -4.055 1.00 0.00 H new ATOM 0 HB2 TYR A 62 2.678 9.878 -1.277 1.00 0.00 H new ATOM 0 HB3 TYR A 62 1.953 9.383 -2.794 1.00 0.00 H new ATOM 0 HD1 TYR A 62 4.113 8.147 -4.290 1.00 0.00 H new ATOM 0 HD2 TYR A 62 3.347 7.977 -0.102 1.00 0.00 H new ATOM 0 HE1 TYR A 62 5.302 6.003 -4.161 1.00 0.00 H new ATOM 0 HE2 TYR A 62 4.538 5.834 0.030 1.00 0.00 H new ATOM 0 HH TYR A 62 5.745 4.209 -2.884 1.00 0.00 H new ATOM 999 N LEU A 63 2.651 12.482 -4.189 1.00 0.00 N ATOM 1000 CA LEU A 63 1.904 13.728 -4.315 1.00 0.00 C ATOM 1001 C LEU A 63 0.538 13.482 -4.950 1.00 0.00 C ATOM 1002 O LEU A 63 -0.388 14.272 -4.776 1.00 0.00 O ATOM 1003 CB LEU A 63 2.694 14.737 -5.152 1.00 0.00 C ATOM 1004 CG LEU A 63 4.153 14.948 -4.748 1.00 0.00 C ATOM 1005 CD1 LEU A 63 4.987 15.353 -5.953 1.00 0.00 C ATOM 1006 CD2 LEU A 63 4.255 15.996 -3.649 1.00 0.00 C ATOM 0 H LEU A 63 2.959 12.083 -5.076 1.00 0.00 H new ATOM 0 HA LEU A 63 1.752 14.135 -3.315 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.669 14.414 -6.193 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.182 15.698 -5.104 1.00 0.00 H new ATOM 0 HG LEU A 63 4.544 14.006 -4.362 1.00 0.00 H new ATOM 0 HD11 LEU A 63 6.023 15.499 -5.646 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.939 14.569 -6.709 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.598 16.282 -6.369 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.301 16.134 -3.373 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.847 16.941 -4.008 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.691 15.665 -2.777 1.00 0.00 H new ATOM 1018 N ASN A 64 0.423 12.380 -5.684 1.00 0.00 N ATOM 1019 CA ASN A 64 -0.830 12.028 -6.343 1.00 0.00 C ATOM 1020 C ASN A 64 -1.375 10.709 -5.806 1.00 0.00 C ATOM 1021 O ASN A 64 -0.650 9.719 -5.708 1.00 0.00 O ATOM 1022 CB ASN A 64 -0.624 11.930 -7.855 1.00 0.00 C ATOM 1023 CG ASN A 64 0.053 13.160 -8.429 1.00 0.00 C ATOM 1024 OD1 ASN A 64 -0.550 14.230 -8.516 1.00 0.00 O ATOM 1025 ND2 ASN A 64 1.312 13.013 -8.823 1.00 0.00 N ATOM 0 H ASN A 64 1.182 11.716 -5.838 1.00 0.00 H new ATOM 0 HA ASN A 64 -1.556 12.813 -6.132 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -0.022 11.049 -8.080 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -1.589 11.790 -8.342 1.00 0.00 H new ATOM 0 HD21 ASN A 64 1.819 13.806 -9.217 1.00 0.00 H new ATOM 0 HD22 ASN A 64 1.772 12.107 -8.732 1.00 0.00 H new ATOM 1032 N PHE A 65 -2.658 10.703 -5.459 1.00 0.00 N ATOM 1033 CA PHE A 65 -3.302 9.505 -4.931 1.00 0.00 C ATOM 1034 C PHE A 65 -2.918 8.276 -5.749 1.00 0.00 C ATOM 1035 O PHE A 65 -2.597 7.224 -5.197 1.00 0.00 O ATOM 1036 CB PHE A 65 -4.822 9.676 -4.929 1.00 0.00 C ATOM 1037 CG PHE A 65 -5.532 8.721 -4.014 1.00 0.00 C ATOM 1038 CD1 PHE A 65 -5.904 7.462 -4.460 1.00 0.00 C ATOM 1039 CD2 PHE A 65 -5.827 9.079 -2.709 1.00 0.00 C ATOM 1040 CE1 PHE A 65 -6.558 6.579 -3.620 1.00 0.00 C ATOM 1041 CE2 PHE A 65 -6.480 8.200 -1.865 1.00 0.00 C ATOM 1042 CZ PHE A 65 -6.846 6.950 -2.321 1.00 0.00 C ATOM 0 H PHE A 65 -3.272 11.514 -5.534 1.00 0.00 H new ATOM 0 HA PHE A 65 -2.959 9.360 -3.907 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.064 10.697 -4.634 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -5.196 9.540 -5.944 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.681 7.167 -5.475 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -5.544 10.056 -2.347 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.843 5.601 -3.979 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -6.704 8.491 -0.849 1.00 0.00 H new ATOM 0 HZ PHE A 65 -7.357 6.263 -1.663 1.00 0.00 H new ATOM 1052 N ASP A 66 -2.955 8.417 -7.070 1.00 0.00 N ATOM 1053 CA ASP A 66 -2.612 7.319 -7.966 1.00 0.00 C ATOM 1054 C ASP A 66 -1.288 6.679 -7.559 1.00 0.00 C ATOM 1055 O ASP A 66 -1.131 5.460 -7.623 1.00 0.00 O ATOM 1056 CB ASP A 66 -2.528 7.818 -9.410 1.00 0.00 C ATOM 1057 CG ASP A 66 -2.088 6.733 -10.372 1.00 0.00 C ATOM 1058 OD1 ASP A 66 -2.540 5.580 -10.214 1.00 0.00 O ATOM 1059 OD2 ASP A 66 -1.291 7.038 -11.285 1.00 0.00 O ATOM 0 H ASP A 66 -3.219 9.281 -7.544 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.397 6.566 -7.895 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.502 8.199 -9.717 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -1.828 8.652 -9.463 1.00 0.00 H new ATOM 1064 N ASP A 67 -0.339 7.510 -7.139 1.00 0.00 N ATOM 1065 CA ASP A 67 0.971 7.025 -6.722 1.00 0.00 C ATOM 1066 C ASP A 67 0.880 6.300 -5.382 1.00 0.00 C ATOM 1067 O ASP A 67 1.250 5.132 -5.270 1.00 0.00 O ATOM 1068 CB ASP A 67 1.960 8.187 -6.621 1.00 0.00 C ATOM 1069 CG ASP A 67 2.685 8.444 -7.927 1.00 0.00 C ATOM 1070 OD1 ASP A 67 3.247 7.483 -8.492 1.00 0.00 O ATOM 1071 OD2 ASP A 67 2.691 9.607 -8.384 1.00 0.00 O ATOM 0 H ASP A 67 -0.453 8.522 -7.079 1.00 0.00 H new ATOM 0 HA ASP A 67 1.327 6.320 -7.473 1.00 0.00 H new ATOM 0 HB2 ASP A 67 1.427 9.089 -6.321 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.689 7.973 -5.840 1.00 0.00 H new ATOM 1076 N PHE A 68 0.387 7.004 -4.367 1.00 0.00 N ATOM 1077 CA PHE A 68 0.250 6.428 -3.034 1.00 0.00 C ATOM 1078 C PHE A 68 -0.458 5.077 -3.094 1.00 0.00 C ATOM 1079 O PHE A 68 -0.117 4.153 -2.358 1.00 0.00 O ATOM 1080 CB PHE A 68 -0.524 7.382 -2.122 1.00 0.00 C ATOM 1081 CG PHE A 68 -0.966 6.751 -0.832 1.00 0.00 C ATOM 1082 CD1 PHE A 68 -0.140 6.771 0.282 1.00 0.00 C ATOM 1083 CD2 PHE A 68 -2.204 6.139 -0.732 1.00 0.00 C ATOM 1084 CE1 PHE A 68 -0.543 6.190 1.470 1.00 0.00 C ATOM 1085 CE2 PHE A 68 -2.613 5.558 0.453 1.00 0.00 C ATOM 1086 CZ PHE A 68 -1.782 5.584 1.556 1.00 0.00 C ATOM 0 H PHE A 68 0.076 7.973 -4.442 1.00 0.00 H new ATOM 0 HA PHE A 68 1.249 6.276 -2.626 1.00 0.00 H new ATOM 0 HB2 PHE A 68 0.102 8.246 -1.899 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.400 7.751 -2.655 1.00 0.00 H new ATOM 0 HD1 PHE A 68 0.828 7.245 0.221 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.858 6.115 -1.591 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.110 6.210 2.330 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.581 5.084 0.517 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.100 5.132 2.484 1.00 0.00 H new ATOM 1096 N GLU A 69 -1.446 4.973 -3.978 1.00 0.00 N ATOM 1097 CA GLU A 69 -2.203 3.736 -4.134 1.00 0.00 C ATOM 1098 C GLU A 69 -1.363 2.668 -4.826 1.00 0.00 C ATOM 1099 O GLU A 69 -1.265 1.536 -4.352 1.00 0.00 O ATOM 1100 CB GLU A 69 -3.483 3.993 -4.933 1.00 0.00 C ATOM 1101 CG GLU A 69 -4.197 2.723 -5.361 1.00 0.00 C ATOM 1102 CD GLU A 69 -5.679 2.939 -5.599 1.00 0.00 C ATOM 1103 OE1 GLU A 69 -6.044 3.361 -6.716 1.00 0.00 O ATOM 1104 OE2 GLU A 69 -6.473 2.686 -4.669 1.00 0.00 O ATOM 0 H GLU A 69 -1.740 5.729 -4.596 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.470 3.375 -3.141 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.162 4.597 -4.331 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.237 4.578 -5.819 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.738 2.342 -6.273 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.063 1.960 -4.595 1.00 0.00 H new ATOM 1111 N GLU A 70 -0.758 3.036 -5.952 1.00 0.00 N ATOM 1112 CA GLU A 70 0.072 2.108 -6.712 1.00 0.00 C ATOM 1113 C GLU A 70 0.951 1.279 -5.781 1.00 0.00 C ATOM 1114 O GLU A 70 0.984 0.051 -5.871 1.00 0.00 O ATOM 1115 CB GLU A 70 0.945 2.871 -7.710 1.00 0.00 C ATOM 1116 CG GLU A 70 1.956 1.993 -8.429 1.00 0.00 C ATOM 1117 CD GLU A 70 2.306 2.517 -9.808 1.00 0.00 C ATOM 1118 OE1 GLU A 70 1.377 2.880 -10.559 1.00 0.00 O ATOM 1119 OE2 GLU A 70 3.510 2.563 -10.137 1.00 0.00 O ATOM 0 H GLU A 70 -0.827 3.969 -6.357 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.587 1.433 -7.258 1.00 0.00 H new ATOM 0 HB2 GLU A 70 0.303 3.351 -8.449 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.475 3.665 -7.184 1.00 0.00 H new ATOM 0 HG2 GLU A 70 2.864 1.924 -7.829 1.00 0.00 H new ATOM 0 HG3 GLU A 70 1.556 0.983 -8.519 1.00 0.00 H new ATOM 1126 N ASP A 71 1.662 1.957 -4.886 1.00 0.00 N ATOM 1127 CA ASP A 71 2.542 1.284 -3.938 1.00 0.00 C ATOM 1128 C ASP A 71 1.805 0.159 -3.219 1.00 0.00 C ATOM 1129 O ASP A 71 2.251 -0.989 -3.219 1.00 0.00 O ATOM 1130 CB ASP A 71 3.090 2.285 -2.919 1.00 0.00 C ATOM 1131 CG ASP A 71 3.537 3.581 -3.565 1.00 0.00 C ATOM 1132 OD1 ASP A 71 4.587 3.575 -4.242 1.00 0.00 O ATOM 1133 OD2 ASP A 71 2.840 4.602 -3.392 1.00 0.00 O ATOM 0 H ASP A 71 1.646 2.973 -4.797 1.00 0.00 H new ATOM 0 HA ASP A 71 3.374 0.852 -4.494 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.323 2.499 -2.175 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.931 1.837 -2.390 1.00 0.00 H new ATOM 1138 N PHE A 72 0.675 0.495 -2.605 1.00 0.00 N ATOM 1139 CA PHE A 72 -0.122 -0.486 -1.879 1.00 0.00 C ATOM 1140 C PHE A 72 -0.402 -1.709 -2.748 1.00 0.00 C ATOM 1141 O PHE A 72 -0.097 -2.838 -2.368 1.00 0.00 O ATOM 1142 CB PHE A 72 -1.440 0.138 -1.417 1.00 0.00 C ATOM 1143 CG PHE A 72 -2.493 -0.875 -1.065 1.00 0.00 C ATOM 1144 CD1 PHE A 72 -3.259 -1.469 -2.055 1.00 0.00 C ATOM 1145 CD2 PHE A 72 -2.715 -1.233 0.255 1.00 0.00 C ATOM 1146 CE1 PHE A 72 -4.228 -2.401 -1.734 1.00 0.00 C ATOM 1147 CE2 PHE A 72 -3.682 -2.164 0.581 1.00 0.00 C ATOM 1148 CZ PHE A 72 -4.439 -2.750 -0.414 1.00 0.00 C ATOM 0 H PHE A 72 0.291 1.440 -2.596 1.00 0.00 H new ATOM 0 HA PHE A 72 0.447 -0.805 -1.006 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -1.249 0.769 -0.549 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -1.821 0.787 -2.205 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -3.097 -1.201 -3.089 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -2.125 -0.779 1.038 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -4.820 -2.856 -2.514 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -3.846 -2.433 1.614 1.00 0.00 H new ATOM 0 HZ PHE A 72 -5.194 -3.479 -0.161 1.00 0.00 H new ATOM 1158 N ASN A 73 -0.989 -1.474 -3.918 1.00 0.00 N ATOM 1159 CA ASN A 73 -1.312 -2.555 -4.842 1.00 0.00 C ATOM 1160 C ASN A 73 -0.146 -3.531 -4.966 1.00 0.00 C ATOM 1161 O ASN A 73 -0.294 -4.728 -4.712 1.00 0.00 O ATOM 1162 CB ASN A 73 -1.667 -1.989 -6.218 1.00 0.00 C ATOM 1163 CG ASN A 73 -2.947 -1.177 -6.197 1.00 0.00 C ATOM 1164 OD1 ASN A 73 -3.808 -1.377 -5.339 1.00 0.00 O ATOM 1165 ND2 ASN A 73 -3.081 -0.256 -7.145 1.00 0.00 N ATOM 0 H ASN A 73 -1.250 -0.545 -4.248 1.00 0.00 H new ATOM 0 HA ASN A 73 -2.173 -3.094 -4.445 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -0.848 -1.362 -6.572 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -1.772 -2.809 -6.929 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -3.923 0.319 -7.182 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -2.342 -0.124 -7.836 1.00 0.00 H new ATOM 1172 N LEU A 74 1.013 -3.013 -5.358 1.00 0.00 N ATOM 1173 CA LEU A 74 2.205 -3.838 -5.516 1.00 0.00 C ATOM 1174 C LEU A 74 2.333 -4.837 -4.369 1.00 0.00 C ATOM 1175 O LEU A 74 2.425 -6.045 -4.593 1.00 0.00 O ATOM 1176 CB LEU A 74 3.454 -2.957 -5.580 1.00 0.00 C ATOM 1177 CG LEU A 74 3.777 -2.349 -6.945 1.00 0.00 C ATOM 1178 CD1 LEU A 74 4.949 -1.386 -6.838 1.00 0.00 C ATOM 1179 CD2 LEU A 74 4.075 -3.444 -7.960 1.00 0.00 C ATOM 0 H LEU A 74 1.152 -2.026 -5.572 1.00 0.00 H new ATOM 0 HA LEU A 74 2.110 -4.394 -6.449 1.00 0.00 H new ATOM 0 HB2 LEU A 74 3.339 -2.146 -4.861 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.310 -3.550 -5.257 1.00 0.00 H new ATOM 0 HG LEU A 74 2.906 -1.791 -7.287 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.164 -0.964 -7.820 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.698 -0.583 -6.145 1.00 0.00 H new ATOM 0 HD13 LEU A 74 5.826 -1.920 -6.473 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.303 -2.993 -8.926 1.00 0.00 H new ATOM 0 HD22 LEU A 74 4.930 -4.030 -7.623 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.206 -4.094 -8.059 1.00 0.00 H new ATOM 1191 N ILE A 75 2.334 -4.325 -3.144 1.00 0.00 N ATOM 1192 CA ILE A 75 2.446 -5.172 -1.963 1.00 0.00 C ATOM 1193 C ILE A 75 1.605 -6.436 -2.112 1.00 0.00 C ATOM 1194 O ILE A 75 2.013 -7.518 -1.690 1.00 0.00 O ATOM 1195 CB ILE A 75 2.008 -4.424 -0.689 1.00 0.00 C ATOM 1196 CG1 ILE A 75 2.922 -3.224 -0.437 1.00 0.00 C ATOM 1197 CG2 ILE A 75 2.017 -5.365 0.506 1.00 0.00 C ATOM 1198 CD1 ILE A 75 2.404 -2.284 0.631 1.00 0.00 C ATOM 0 H ILE A 75 2.259 -3.328 -2.943 1.00 0.00 H new ATOM 0 HA ILE A 75 3.497 -5.446 -1.870 1.00 0.00 H new ATOM 0 HB ILE A 75 0.991 -4.058 -0.831 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.909 -3.584 -0.146 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.047 -2.670 -1.368 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.705 -4.823 1.399 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.329 -6.190 0.324 1.00 0.00 H new ATOM 0 HG23 ILE A 75 3.023 -5.757 0.653 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.102 -1.456 0.757 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.430 -1.895 0.332 1.00 0.00 H new ATOM 0 HD13 ILE A 75 2.306 -2.823 1.573 1.00 0.00 H new ATOM 1210 N VAL A 76 0.430 -6.291 -2.715 1.00 0.00 N ATOM 1211 CA VAL A 76 -0.467 -7.421 -2.923 1.00 0.00 C ATOM 1212 C VAL A 76 -0.053 -8.235 -4.144 1.00 0.00 C ATOM 1213 O VAL A 76 0.056 -9.459 -4.079 1.00 0.00 O ATOM 1214 CB VAL A 76 -1.925 -6.955 -3.100 1.00 0.00 C ATOM 1215 CG1 VAL A 76 -2.852 -8.151 -3.257 1.00 0.00 C ATOM 1216 CG2 VAL A 76 -2.353 -6.088 -1.926 1.00 0.00 C ATOM 0 H VAL A 76 0.077 -5.402 -3.068 1.00 0.00 H new ATOM 0 HA VAL A 76 -0.399 -8.047 -2.033 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.989 -6.355 -4.007 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.877 -7.803 -3.381 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.556 -8.728 -4.133 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.787 -8.780 -2.369 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.385 -5.768 -2.068 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.274 -6.662 -1.002 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -1.707 -5.212 -1.866 1.00 0.00 H new ATOM 1226 N SER A 77 0.178 -7.545 -5.256 1.00 0.00 N ATOM 1227 CA SER A 77 0.578 -8.204 -6.495 1.00 0.00 C ATOM 1228 C SER A 77 1.884 -8.970 -6.306 1.00 0.00 C ATOM 1229 O SER A 77 1.917 -10.196 -6.408 1.00 0.00 O ATOM 1230 CB SER A 77 0.734 -7.176 -7.617 1.00 0.00 C ATOM 1231 OG SER A 77 1.930 -6.432 -7.464 1.00 0.00 O ATOM 0 H SER A 77 0.095 -6.531 -5.325 1.00 0.00 H new ATOM 0 HA SER A 77 -0.203 -8.914 -6.768 1.00 0.00 H new ATOM 0 HB2 SER A 77 0.739 -7.684 -8.582 1.00 0.00 H new ATOM 0 HB3 SER A 77 -0.121 -6.500 -7.617 1.00 0.00 H new ATOM 0 HG SER A 77 2.174 -6.025 -8.322 1.00 0.00 H new ATOM 1237 N ASN A 78 2.957 -8.236 -6.030 1.00 0.00 N ATOM 1238 CA ASN A 78 4.267 -8.845 -5.828 1.00 0.00 C ATOM 1239 C ASN A 78 4.143 -10.158 -5.059 1.00 0.00 C ATOM 1240 O ASN A 78 4.794 -11.149 -5.394 1.00 0.00 O ATOM 1241 CB ASN A 78 5.188 -7.884 -5.073 1.00 0.00 C ATOM 1242 CG ASN A 78 5.819 -6.852 -5.987 1.00 0.00 C ATOM 1243 OD1 ASN A 78 6.228 -7.164 -7.105 1.00 0.00 O ATOM 1244 ND2 ASN A 78 5.903 -5.615 -5.512 1.00 0.00 N ATOM 0 H ASN A 78 2.945 -7.220 -5.941 1.00 0.00 H new ATOM 0 HA ASN A 78 4.697 -9.056 -6.807 1.00 0.00 H new ATOM 0 HB2 ASN A 78 4.619 -7.376 -4.294 1.00 0.00 H new ATOM 0 HB3 ASN A 78 5.973 -8.453 -4.575 1.00 0.00 H new ATOM 0 HD21 ASN A 78 6.320 -4.878 -6.080 1.00 0.00 H new ATOM 0 HD22 ASN A 78 5.551 -5.402 -4.579 1.00 0.00 H new ATOM 1251 N CYS A 79 3.305 -10.158 -4.029 1.00 0.00 N ATOM 1252 CA CYS A 79 3.096 -11.348 -3.212 1.00 0.00 C ATOM 1253 C CYS A 79 2.424 -12.451 -4.023 1.00 0.00 C ATOM 1254 O CYS A 79 2.855 -13.605 -3.999 1.00 0.00 O ATOM 1255 CB CYS A 79 2.246 -11.009 -1.988 1.00 0.00 C ATOM 1256 SG CYS A 79 2.274 -12.274 -0.696 1.00 0.00 S ATOM 0 H CYS A 79 2.759 -9.347 -3.739 1.00 0.00 H new ATOM 0 HA CYS A 79 4.070 -11.707 -2.880 1.00 0.00 H new ATOM 0 HB2 CYS A 79 2.595 -10.067 -1.566 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.215 -10.853 -2.307 1.00 0.00 H new ATOM 0 HG CYS A 79 1.146 -12.259 -0.050 1.00 0.00 H new ATOM 1262 N LEU A 80 1.364 -12.091 -4.739 1.00 0.00 N ATOM 1263 CA LEU A 80 0.630 -13.052 -5.556 1.00 0.00 C ATOM 1264 C LEU A 80 1.496 -13.569 -6.698 1.00 0.00 C ATOM 1265 O LEU A 80 1.254 -14.650 -7.237 1.00 0.00 O ATOM 1266 CB LEU A 80 -0.642 -12.409 -6.114 1.00 0.00 C ATOM 1267 CG LEU A 80 -1.592 -11.796 -5.085 1.00 0.00 C ATOM 1268 CD1 LEU A 80 -2.392 -10.663 -5.707 1.00 0.00 C ATOM 1269 CD2 LEU A 80 -2.520 -12.858 -4.517 1.00 0.00 C ATOM 0 H LEU A 80 0.994 -11.141 -4.770 1.00 0.00 H new ATOM 0 HA LEU A 80 0.356 -13.896 -4.923 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.352 -11.631 -6.820 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.189 -13.164 -6.679 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.998 -11.388 -4.268 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.063 -10.239 -4.960 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.711 -9.890 -6.064 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.976 -11.047 -6.543 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.189 -12.403 -3.786 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.108 -13.297 -5.323 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.930 -13.636 -4.033 1.00 0.00 H new ATOM 1281 N LYS A 81 2.509 -12.791 -7.065 1.00 0.00 N ATOM 1282 CA LYS A 81 3.417 -13.171 -8.142 1.00 0.00 C ATOM 1283 C LYS A 81 4.464 -14.163 -7.647 1.00 0.00 C ATOM 1284 O LYS A 81 4.895 -15.046 -8.389 1.00 0.00 O ATOM 1285 CB LYS A 81 4.105 -11.930 -8.718 1.00 0.00 C ATOM 1286 CG LYS A 81 5.497 -12.204 -9.260 1.00 0.00 C ATOM 1287 CD LYS A 81 6.174 -10.927 -9.728 1.00 0.00 C ATOM 1288 CE LYS A 81 5.867 -10.638 -11.189 1.00 0.00 C ATOM 1289 NZ LYS A 81 5.868 -9.177 -11.477 1.00 0.00 N ATOM 0 H LYS A 81 2.722 -11.892 -6.632 1.00 0.00 H new ATOM 0 HA LYS A 81 2.831 -13.651 -8.926 1.00 0.00 H new ATOM 0 HB2 LYS A 81 3.487 -11.520 -9.517 1.00 0.00 H new ATOM 0 HB3 LYS A 81 4.170 -11.167 -7.942 1.00 0.00 H new ATOM 0 HG2 LYS A 81 6.103 -12.676 -8.487 1.00 0.00 H new ATOM 0 HG3 LYS A 81 5.433 -12.908 -10.089 1.00 0.00 H new ATOM 0 HD2 LYS A 81 5.842 -10.091 -9.113 1.00 0.00 H new ATOM 0 HD3 LYS A 81 7.252 -11.014 -9.592 1.00 0.00 H new ATOM 0 HE2 LYS A 81 6.605 -11.133 -11.820 1.00 0.00 H new ATOM 0 HE3 LYS A 81 4.895 -11.058 -11.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 5.655 -9.021 -12.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 5.146 -8.708 -10.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 6.804 -8.780 -11.256 1.00 0.00 H new ATOM 1303 N TYR A 82 4.867 -14.012 -6.391 1.00 0.00 N ATOM 1304 CA TYR A 82 5.865 -14.895 -5.797 1.00 0.00 C ATOM 1305 C TYR A 82 5.234 -16.213 -5.359 1.00 0.00 C ATOM 1306 O TYR A 82 5.535 -17.271 -5.911 1.00 0.00 O ATOM 1307 CB TYR A 82 6.532 -14.214 -4.601 1.00 0.00 C ATOM 1308 CG TYR A 82 7.957 -14.664 -4.366 1.00 0.00 C ATOM 1309 CD1 TYR A 82 8.879 -14.688 -5.404 1.00 0.00 C ATOM 1310 CD2 TYR A 82 8.380 -15.063 -3.105 1.00 0.00 C ATOM 1311 CE1 TYR A 82 10.181 -15.099 -5.194 1.00 0.00 C ATOM 1312 CE2 TYR A 82 9.680 -15.474 -2.884 1.00 0.00 C ATOM 1313 CZ TYR A 82 10.577 -15.491 -3.932 1.00 0.00 C ATOM 1314 OH TYR A 82 11.873 -15.899 -3.718 1.00 0.00 O ATOM 0 H TYR A 82 4.519 -13.287 -5.764 1.00 0.00 H new ATOM 0 HA TYR A 82 6.621 -15.108 -6.553 1.00 0.00 H new ATOM 0 HB2 TYR A 82 6.521 -13.135 -4.755 1.00 0.00 H new ATOM 0 HB3 TYR A 82 5.944 -14.414 -3.705 1.00 0.00 H new ATOM 0 HD1 TYR A 82 8.573 -14.380 -6.393 1.00 0.00 H new ATOM 0 HD2 TYR A 82 7.680 -15.052 -2.283 1.00 0.00 H new ATOM 0 HE1 TYR A 82 10.885 -15.113 -6.013 1.00 0.00 H new ATOM 0 HE2 TYR A 82 9.992 -15.780 -1.897 1.00 0.00 H new ATOM 0 HH TYR A 82 12.469 -15.436 -4.343 1.00 0.00 H new ATOM 1324 N ASN A 83 4.356 -16.140 -4.365 1.00 0.00 N ATOM 1325 CA ASN A 83 3.682 -17.327 -3.851 1.00 0.00 C ATOM 1326 C ASN A 83 2.300 -17.483 -4.481 1.00 0.00 C ATOM 1327 O ASN A 83 1.899 -16.683 -5.325 1.00 0.00 O ATOM 1328 CB ASN A 83 3.555 -17.248 -2.329 1.00 0.00 C ATOM 1329 CG ASN A 83 4.692 -16.472 -1.693 1.00 0.00 C ATOM 1330 OD1 ASN A 83 5.855 -16.862 -1.791 1.00 0.00 O ATOM 1331 ND2 ASN A 83 4.358 -15.367 -1.037 1.00 0.00 N ATOM 0 H ASN A 83 4.094 -15.271 -3.899 1.00 0.00 H new ATOM 0 HA ASN A 83 4.282 -18.198 -4.114 1.00 0.00 H new ATOM 0 HB2 ASN A 83 2.607 -16.776 -2.070 1.00 0.00 H new ATOM 0 HB3 ASN A 83 3.532 -18.257 -1.916 1.00 0.00 H new ATOM 0 HD21 ASN A 83 5.079 -14.803 -0.588 1.00 0.00 H new ATOM 0 HD22 ASN A 83 3.380 -15.082 -0.982 1.00 0.00 H new ATOM 1338 N ALA A 84 1.579 -18.517 -4.063 1.00 0.00 N ATOM 1339 CA ALA A 84 0.243 -18.777 -4.584 1.00 0.00 C ATOM 1340 C ALA A 84 -0.761 -18.959 -3.450 1.00 0.00 C ATOM 1341 O ALA A 84 -0.387 -19.036 -2.280 1.00 0.00 O ATOM 1342 CB ALA A 84 0.255 -20.004 -5.482 1.00 0.00 C ATOM 0 H ALA A 84 1.898 -19.189 -3.365 1.00 0.00 H new ATOM 0 HA ALA A 84 -0.065 -17.913 -5.173 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -0.750 -20.186 -5.864 1.00 0.00 H new ATOM 0 HB2 ALA A 84 0.936 -19.837 -6.317 1.00 0.00 H new ATOM 0 HB3 ALA A 84 0.588 -20.870 -4.910 1.00 0.00 H new ATOM 1348 N LYS A 85 -2.041 -19.027 -3.805 1.00 0.00 N ATOM 1349 CA LYS A 85 -3.100 -19.200 -2.819 1.00 0.00 C ATOM 1350 C LYS A 85 -2.812 -20.394 -1.914 1.00 0.00 C ATOM 1351 O LYS A 85 -3.388 -20.520 -0.833 1.00 0.00 O ATOM 1352 CB LYS A 85 -4.449 -19.391 -3.517 1.00 0.00 C ATOM 1353 CG LYS A 85 -4.334 -19.985 -4.910 1.00 0.00 C ATOM 1354 CD LYS A 85 -4.221 -18.903 -5.971 1.00 0.00 C ATOM 1355 CE LYS A 85 -5.588 -18.489 -6.493 1.00 0.00 C ATOM 1356 NZ LYS A 85 -6.442 -17.915 -5.417 1.00 0.00 N ATOM 0 H LYS A 85 -2.369 -18.965 -4.769 1.00 0.00 H new ATOM 0 HA LYS A 85 -3.139 -18.301 -2.204 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -5.077 -20.039 -2.905 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -4.954 -18.427 -3.583 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -3.461 -20.635 -4.958 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -5.206 -20.606 -5.114 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -3.712 -18.035 -5.554 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -3.609 -19.265 -6.797 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -5.466 -17.755 -7.290 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -6.087 -19.354 -6.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -7.302 -17.507 -5.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -6.706 -18.665 -4.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -5.915 -17.172 -4.915 1.00 0.00 H new ATOM 1370 N ASP A 86 -1.915 -21.266 -2.362 1.00 0.00 N ATOM 1371 CA ASP A 86 -1.548 -22.449 -1.591 1.00 0.00 C ATOM 1372 C ASP A 86 -0.770 -22.061 -0.337 1.00 0.00 C ATOM 1373 O ASP A 86 -0.455 -22.907 0.498 1.00 0.00 O ATOM 1374 CB ASP A 86 -0.716 -23.404 -2.447 1.00 0.00 C ATOM 1375 CG ASP A 86 -1.571 -24.420 -3.179 1.00 0.00 C ATOM 1376 OD1 ASP A 86 -2.565 -24.010 -3.814 1.00 0.00 O ATOM 1377 OD2 ASP A 86 -1.246 -25.624 -3.118 1.00 0.00 O ATOM 0 H ASP A 86 -1.429 -21.176 -3.254 1.00 0.00 H new ATOM 0 HA ASP A 86 -2.465 -22.952 -1.286 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -0.140 -22.829 -3.172 1.00 0.00 H new ATOM 0 HB3 ASP A 86 0.000 -23.926 -1.812 1.00 0.00 H new ATOM 1382 N THR A 87 -0.463 -20.773 -0.213 1.00 0.00 N ATOM 1383 CA THR A 87 0.280 -20.272 0.937 1.00 0.00 C ATOM 1384 C THR A 87 -0.534 -19.241 1.710 1.00 0.00 C ATOM 1385 O THR A 87 -1.685 -18.963 1.371 1.00 0.00 O ATOM 1386 CB THR A 87 1.617 -19.638 0.508 1.00 0.00 C ATOM 1387 OG1 THR A 87 1.374 -18.470 -0.284 1.00 0.00 O ATOM 1388 CG2 THR A 87 2.456 -20.629 -0.283 1.00 0.00 C ATOM 0 H THR A 87 -0.717 -20.058 -0.895 1.00 0.00 H new ATOM 0 HA THR A 87 0.482 -21.128 1.581 1.00 0.00 H new ATOM 0 HB THR A 87 2.166 -19.358 1.407 1.00 0.00 H new ATOM 0 HG1 THR A 87 0.857 -18.716 -1.080 1.00 0.00 H new ATOM 0 HG21 THR A 87 3.395 -20.159 -0.575 1.00 0.00 H new ATOM 0 HG22 THR A 87 2.664 -21.503 0.334 1.00 0.00 H new ATOM 0 HG23 THR A 87 1.911 -20.936 -1.176 1.00 0.00 H new ATOM 1396 N ILE A 88 0.070 -18.676 2.750 1.00 0.00 N ATOM 1397 CA ILE A 88 -0.599 -17.675 3.571 1.00 0.00 C ATOM 1398 C ILE A 88 -0.380 -16.272 3.014 1.00 0.00 C ATOM 1399 O ILE A 88 -1.323 -15.611 2.580 1.00 0.00 O ATOM 1400 CB ILE A 88 -0.103 -17.718 5.029 1.00 0.00 C ATOM 1401 CG1 ILE A 88 -0.831 -18.819 5.804 1.00 0.00 C ATOM 1402 CG2 ILE A 88 -0.307 -16.367 5.698 1.00 0.00 C ATOM 1403 CD1 ILE A 88 -0.462 -18.869 7.270 1.00 0.00 C ATOM 0 H ILE A 88 1.022 -18.895 3.044 1.00 0.00 H new ATOM 0 HA ILE A 88 -1.663 -17.911 3.551 1.00 0.00 H new ATOM 0 HB ILE A 88 0.964 -17.943 5.029 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -1.906 -18.666 5.713 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -0.606 -19.783 5.348 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.048 -16.413 6.727 1.00 0.00 H new ATOM 0 HG22 ILE A 88 0.252 -15.604 5.155 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.367 -16.114 5.691 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -1.015 -19.672 7.757 1.00 0.00 H new ATOM 0 HD12 ILE A 88 0.608 -19.053 7.370 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -0.713 -17.918 7.741 1.00 0.00 H new ATOM 1415 N PHE A 89 0.872 -15.826 3.025 1.00 0.00 N ATOM 1416 CA PHE A 89 1.216 -14.502 2.520 1.00 0.00 C ATOM 1417 C PHE A 89 0.393 -14.162 1.280 1.00 0.00 C ATOM 1418 O PHE A 89 0.151 -12.992 0.984 1.00 0.00 O ATOM 1419 CB PHE A 89 2.708 -14.430 2.190 1.00 0.00 C ATOM 1420 CG PHE A 89 3.560 -15.294 3.077 1.00 0.00 C ATOM 1421 CD1 PHE A 89 3.411 -15.254 4.454 1.00 0.00 C ATOM 1422 CD2 PHE A 89 4.508 -16.145 2.533 1.00 0.00 C ATOM 1423 CE1 PHE A 89 4.194 -16.047 5.272 1.00 0.00 C ATOM 1424 CE2 PHE A 89 5.294 -16.940 3.346 1.00 0.00 C ATOM 1425 CZ PHE A 89 5.136 -16.892 4.717 1.00 0.00 C ATOM 0 H PHE A 89 1.665 -16.362 3.378 1.00 0.00 H new ATOM 0 HA PHE A 89 0.987 -13.774 3.298 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.858 -14.729 1.153 1.00 0.00 H new ATOM 0 HB3 PHE A 89 3.041 -13.396 2.275 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.675 -14.596 4.893 1.00 0.00 H new ATOM 0 HD2 PHE A 89 4.634 -16.188 1.461 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.070 -16.006 6.344 1.00 0.00 H new ATOM 0 HE2 PHE A 89 6.031 -17.598 2.909 1.00 0.00 H new ATOM 0 HZ PHE A 89 5.747 -17.514 5.354 1.00 0.00 H new ATOM 1435 N TYR A 90 -0.033 -15.194 0.560 1.00 0.00 N ATOM 1436 CA TYR A 90 -0.825 -15.005 -0.650 1.00 0.00 C ATOM 1437 C TYR A 90 -2.295 -14.774 -0.307 1.00 0.00 C ATOM 1438 O TYR A 90 -2.918 -13.833 -0.801 1.00 0.00 O ATOM 1439 CB TYR A 90 -0.690 -16.221 -1.567 1.00 0.00 C ATOM 1440 CG TYR A 90 -1.387 -16.056 -2.898 1.00 0.00 C ATOM 1441 CD1 TYR A 90 -2.771 -16.137 -2.995 1.00 0.00 C ATOM 1442 CD2 TYR A 90 -0.663 -15.816 -4.060 1.00 0.00 C ATOM 1443 CE1 TYR A 90 -3.412 -15.987 -4.210 1.00 0.00 C ATOM 1444 CE2 TYR A 90 -1.296 -15.663 -5.278 1.00 0.00 C ATOM 1445 CZ TYR A 90 -2.670 -15.750 -5.348 1.00 0.00 C ATOM 1446 OH TYR A 90 -3.306 -15.598 -6.559 1.00 0.00 O ATOM 0 H TYR A 90 0.156 -16.169 0.793 1.00 0.00 H new ATOM 0 HA TYR A 90 -0.447 -14.123 -1.168 1.00 0.00 H new ATOM 0 HB2 TYR A 90 0.368 -16.418 -1.742 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -1.097 -17.095 -1.059 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -3.356 -16.320 -2.106 1.00 0.00 H new ATOM 0 HD2 TYR A 90 0.414 -15.748 -4.010 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -4.488 -16.055 -4.268 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -0.718 -15.476 -6.171 1.00 0.00 H new ATOM 0 HH TYR A 90 -2.641 -15.436 -7.260 1.00 0.00 H new ATOM 1456 N ARG A 91 -2.841 -15.638 0.542 1.00 0.00 N ATOM 1457 CA ARG A 91 -4.236 -15.529 0.950 1.00 0.00 C ATOM 1458 C ARG A 91 -4.473 -14.246 1.741 1.00 0.00 C ATOM 1459 O ARG A 91 -5.533 -13.631 1.642 1.00 0.00 O ATOM 1460 CB ARG A 91 -4.639 -16.741 1.793 1.00 0.00 C ATOM 1461 CG ARG A 91 -4.973 -17.973 0.966 1.00 0.00 C ATOM 1462 CD ARG A 91 -5.404 -19.134 1.847 1.00 0.00 C ATOM 1463 NE ARG A 91 -6.815 -19.049 2.214 1.00 0.00 N ATOM 1464 CZ ARG A 91 -7.379 -19.803 3.151 1.00 0.00 C ATOM 1465 NH1 ARG A 91 -6.654 -20.694 3.814 1.00 0.00 N ATOM 1466 NH2 ARG A 91 -8.670 -19.668 3.428 1.00 0.00 N ATOM 0 H ARG A 91 -2.339 -16.421 0.961 1.00 0.00 H new ATOM 0 HA ARG A 91 -4.850 -15.500 0.050 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -3.827 -16.983 2.478 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -5.503 -16.478 2.403 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -5.769 -17.735 0.261 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -4.103 -18.265 0.378 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -5.222 -20.073 1.324 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -4.795 -19.149 2.751 1.00 0.00 H new ATOM 0 HE ARG A 91 -7.400 -18.373 1.723 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -5.661 -20.801 3.605 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -7.089 -21.272 4.533 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -9.232 -18.984 2.921 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -9.101 -20.248 4.148 1.00 0.00 H new ATOM 1480 N ALA A 92 -3.477 -13.849 2.527 1.00 0.00 N ATOM 1481 CA ALA A 92 -3.575 -12.639 3.333 1.00 0.00 C ATOM 1482 C ALA A 92 -3.629 -11.395 2.452 1.00 0.00 C ATOM 1483 O ALA A 92 -4.298 -10.417 2.785 1.00 0.00 O ATOM 1484 CB ALA A 92 -2.404 -12.552 4.301 1.00 0.00 C ATOM 0 H ALA A 92 -2.593 -14.348 2.622 1.00 0.00 H new ATOM 0 HA ALA A 92 -4.502 -12.688 3.905 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -2.491 -11.643 4.896 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -2.412 -13.420 4.961 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -1.469 -12.531 3.740 1.00 0.00 H new ATOM 1490 N ALA A 93 -2.921 -11.440 1.330 1.00 0.00 N ATOM 1491 CA ALA A 93 -2.888 -10.317 0.401 1.00 0.00 C ATOM 1492 C ALA A 93 -4.215 -10.178 -0.338 1.00 0.00 C ATOM 1493 O ALA A 93 -4.678 -9.068 -0.602 1.00 0.00 O ATOM 1494 CB ALA A 93 -1.746 -10.482 -0.589 1.00 0.00 C ATOM 0 H ALA A 93 -2.362 -12.243 1.041 1.00 0.00 H new ATOM 0 HA ALA A 93 -2.724 -9.406 0.977 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -1.735 -9.636 -1.276 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.800 -10.524 -0.049 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -1.884 -11.405 -1.153 1.00 0.00 H new ATOM 1500 N VAL A 94 -4.823 -11.312 -0.671 1.00 0.00 N ATOM 1501 CA VAL A 94 -6.098 -11.317 -1.379 1.00 0.00 C ATOM 1502 C VAL A 94 -7.157 -10.537 -0.610 1.00 0.00 C ATOM 1503 O VAL A 94 -7.995 -9.857 -1.203 1.00 0.00 O ATOM 1504 CB VAL A 94 -6.603 -12.753 -1.615 1.00 0.00 C ATOM 1505 CG1 VAL A 94 -8.080 -12.746 -1.980 1.00 0.00 C ATOM 1506 CG2 VAL A 94 -5.781 -13.436 -2.699 1.00 0.00 C ATOM 0 H VAL A 94 -4.453 -12.239 -0.462 1.00 0.00 H new ATOM 0 HA VAL A 94 -5.927 -10.837 -2.343 1.00 0.00 H new ATOM 0 HB VAL A 94 -6.484 -13.318 -0.690 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -8.419 -13.769 -2.143 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -8.653 -12.299 -1.168 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -8.227 -12.165 -2.891 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -6.152 -14.449 -2.852 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.866 -12.874 -3.629 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -4.736 -13.475 -2.393 1.00 0.00 H new ATOM 1516 N ARG A 95 -7.114 -10.640 0.715 1.00 0.00 N ATOM 1517 CA ARG A 95 -8.072 -9.945 1.566 1.00 0.00 C ATOM 1518 C ARG A 95 -7.815 -8.440 1.556 1.00 0.00 C ATOM 1519 O ARG A 95 -8.750 -7.641 1.471 1.00 0.00 O ATOM 1520 CB ARG A 95 -7.993 -10.477 2.998 1.00 0.00 C ATOM 1521 CG ARG A 95 -8.737 -9.618 4.008 1.00 0.00 C ATOM 1522 CD ARG A 95 -9.107 -10.414 5.251 1.00 0.00 C ATOM 1523 NE ARG A 95 -9.551 -9.551 6.341 1.00 0.00 N ATOM 1524 CZ ARG A 95 -9.706 -9.969 7.592 1.00 0.00 C ATOM 1525 NH1 ARG A 95 -9.456 -11.232 7.909 1.00 0.00 N ATOM 1526 NH2 ARG A 95 -10.113 -9.124 8.530 1.00 0.00 N ATOM 0 H ARG A 95 -6.426 -11.198 1.222 1.00 0.00 H new ATOM 0 HA ARG A 95 -9.072 -10.129 1.172 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -8.399 -11.488 3.024 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -6.946 -10.547 3.294 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -8.117 -8.767 4.291 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -9.641 -9.216 3.550 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -9.897 -11.123 5.005 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -8.246 -10.997 5.578 1.00 0.00 H new ATOM 0 HE ARG A 95 -9.753 -8.574 6.131 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -9.144 -11.886 7.191 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -9.576 -11.550 8.871 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -10.307 -8.152 8.291 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -10.232 -9.447 9.490 1.00 0.00 H new ATOM 1540 N LEU A 96 -6.546 -8.061 1.644 1.00 0.00 N ATOM 1541 CA LEU A 96 -6.166 -6.652 1.645 1.00 0.00 C ATOM 1542 C LEU A 96 -6.677 -5.950 0.392 1.00 0.00 C ATOM 1543 O LEU A 96 -7.362 -4.930 0.475 1.00 0.00 O ATOM 1544 CB LEU A 96 -4.646 -6.514 1.739 1.00 0.00 C ATOM 1545 CG LEU A 96 -4.004 -7.016 3.032 1.00 0.00 C ATOM 1546 CD1 LEU A 96 -2.488 -6.981 2.925 1.00 0.00 C ATOM 1547 CD2 LEU A 96 -4.476 -6.188 4.219 1.00 0.00 C ATOM 0 H LEU A 96 -5.762 -8.709 1.716 1.00 0.00 H new ATOM 0 HA LEU A 96 -6.621 -6.178 2.515 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.200 -7.053 0.903 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.389 -5.462 1.614 1.00 0.00 H new ATOM 0 HG LEU A 96 -4.312 -8.050 3.190 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -2.049 -7.342 3.855 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -2.167 -7.618 2.101 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.160 -5.958 2.742 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -4.009 -6.560 5.131 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -4.198 -5.145 4.068 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -5.559 -6.266 4.309 1.00 0.00 H new ATOM 1559 N ARG A 97 -6.339 -6.502 -0.770 1.00 0.00 N ATOM 1560 CA ARG A 97 -6.764 -5.929 -2.040 1.00 0.00 C ATOM 1561 C ARG A 97 -8.286 -5.836 -2.114 1.00 0.00 C ATOM 1562 O ARG A 97 -8.834 -4.837 -2.576 1.00 0.00 O ATOM 1563 CB ARG A 97 -6.237 -6.769 -3.205 1.00 0.00 C ATOM 1564 CG ARG A 97 -6.779 -6.342 -4.559 1.00 0.00 C ATOM 1565 CD ARG A 97 -6.367 -7.312 -5.656 1.00 0.00 C ATOM 1566 NE ARG A 97 -6.665 -6.792 -6.987 1.00 0.00 N ATOM 1567 CZ ARG A 97 -6.680 -7.542 -8.083 1.00 0.00 C ATOM 1568 NH1 ARG A 97 -6.415 -8.839 -8.006 1.00 0.00 N ATOM 1569 NH2 ARG A 97 -6.960 -6.995 -9.259 1.00 0.00 N ATOM 0 H ARG A 97 -5.772 -7.345 -0.857 1.00 0.00 H new ATOM 0 HA ARG A 97 -6.352 -4.922 -2.111 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -5.149 -6.707 -3.223 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -6.494 -7.814 -3.034 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -7.866 -6.282 -4.514 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -6.415 -5.343 -4.799 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -5.299 -7.516 -5.577 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -6.884 -8.261 -5.514 1.00 0.00 H new ATOM 0 HE ARG A 97 -6.873 -5.798 -7.080 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -6.199 -9.263 -7.104 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -6.427 -9.413 -8.849 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -7.164 -5.998 -9.322 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -6.971 -7.572 -10.100 1.00 0.00 H new ATOM 1583 N GLU A 98 -8.960 -6.886 -1.655 1.00 0.00 N ATOM 1584 CA GLU A 98 -10.418 -6.923 -1.671 1.00 0.00 C ATOM 1585 C GLU A 98 -10.999 -5.864 -0.738 1.00 0.00 C ATOM 1586 O GLU A 98 -11.651 -4.920 -1.183 1.00 0.00 O ATOM 1587 CB GLU A 98 -10.920 -8.309 -1.261 1.00 0.00 C ATOM 1588 CG GLU A 98 -10.763 -9.358 -2.350 1.00 0.00 C ATOM 1589 CD GLU A 98 -11.720 -9.146 -3.507 1.00 0.00 C ATOM 1590 OE1 GLU A 98 -12.936 -9.353 -3.318 1.00 0.00 O ATOM 1591 OE2 GLU A 98 -11.251 -8.771 -4.602 1.00 0.00 O ATOM 0 H GLU A 98 -8.521 -7.721 -1.268 1.00 0.00 H new ATOM 0 HA GLU A 98 -10.750 -6.710 -2.687 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -10.378 -8.635 -0.373 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -11.972 -8.238 -0.985 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -9.739 -9.339 -2.722 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -10.929 -10.347 -1.923 1.00 0.00 H new ATOM 1598 N GLN A 99 -10.756 -6.029 0.559 1.00 0.00 N ATOM 1599 CA GLN A 99 -11.256 -5.088 1.554 1.00 0.00 C ATOM 1600 C GLN A 99 -10.641 -3.707 1.354 1.00 0.00 C ATOM 1601 O GLN A 99 -11.354 -2.721 1.169 1.00 0.00 O ATOM 1602 CB GLN A 99 -10.951 -5.596 2.965 1.00 0.00 C ATOM 1603 CG GLN A 99 -11.472 -6.999 3.232 1.00 0.00 C ATOM 1604 CD GLN A 99 -11.587 -7.307 4.712 1.00 0.00 C ATOM 1605 OE1 GLN A 99 -11.529 -6.408 5.551 1.00 0.00 O ATOM 1606 NE2 GLN A 99 -11.749 -8.584 5.040 1.00 0.00 N ATOM 0 H GLN A 99 -10.217 -6.804 0.944 1.00 0.00 H new ATOM 0 HA GLN A 99 -12.336 -5.006 1.430 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -9.872 -5.582 3.122 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -11.388 -4.911 3.691 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -12.449 -7.115 2.764 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -10.807 -7.725 2.764 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -11.792 -9.296 4.311 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -11.831 -8.852 6.021 1.00 0.00 H new ATOM 1615 N GLY A 100 -9.314 -3.643 1.396 1.00 0.00 N ATOM 1616 CA GLY A 100 -8.626 -2.378 1.217 1.00 0.00 C ATOM 1617 C GLY A 100 -9.329 -1.470 0.228 1.00 0.00 C ATOM 1618 O GLY A 100 -9.510 -0.281 0.486 1.00 0.00 O ATOM 0 H GLY A 100 -8.703 -4.445 1.551 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -8.548 -1.871 2.179 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -7.609 -2.567 0.873 1.00 0.00 H new ATOM 1622 N GLY A 101 -9.726 -2.031 -0.911 1.00 0.00 N ATOM 1623 CA GLY A 101 -10.406 -1.249 -1.925 1.00 0.00 C ATOM 1624 C GLY A 101 -11.340 -0.214 -1.331 1.00 0.00 C ATOM 1625 O GLY A 101 -11.348 0.941 -1.757 1.00 0.00 O ATOM 0 H GLY A 101 -9.588 -3.013 -1.148 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -9.666 -0.749 -2.551 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -10.974 -1.916 -2.574 1.00 0.00 H new ATOM 1629 N ALA A 102 -12.129 -0.628 -0.345 1.00 0.00 N ATOM 1630 CA ALA A 102 -13.071 0.271 0.308 1.00 0.00 C ATOM 1631 C ALA A 102 -12.347 1.449 0.954 1.00 0.00 C ATOM 1632 O ALA A 102 -12.825 2.583 0.911 1.00 0.00 O ATOM 1633 CB ALA A 102 -13.888 -0.483 1.348 1.00 0.00 C ATOM 0 H ALA A 102 -12.134 -1.581 0.019 1.00 0.00 H new ATOM 0 HA ALA A 102 -13.746 0.664 -0.452 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -14.587 0.202 1.828 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -14.442 -1.287 0.863 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -13.220 -0.905 2.099 1.00 0.00 H new ATOM 1639 N VAL A 103 -11.194 1.172 1.553 1.00 0.00 N ATOM 1640 CA VAL A 103 -10.404 2.209 2.207 1.00 0.00 C ATOM 1641 C VAL A 103 -9.807 3.171 1.186 1.00 0.00 C ATOM 1642 O VAL A 103 -9.869 4.390 1.356 1.00 0.00 O ATOM 1643 CB VAL A 103 -9.267 1.600 3.048 1.00 0.00 C ATOM 1644 CG1 VAL A 103 -8.408 2.698 3.658 1.00 0.00 C ATOM 1645 CG2 VAL A 103 -9.831 0.691 4.130 1.00 0.00 C ATOM 0 H VAL A 103 -10.786 0.238 1.599 1.00 0.00 H new ATOM 0 HA VAL A 103 -11.080 2.756 2.864 1.00 0.00 H new ATOM 0 HB VAL A 103 -8.637 0.998 2.393 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -7.610 2.249 4.249 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -7.974 3.304 2.863 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -9.024 3.328 4.300 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -9.013 0.270 4.714 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -10.485 1.267 4.785 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -10.400 -0.116 3.667 1.00 0.00 H new ATOM 1655 N LEU A 104 -9.231 2.618 0.126 1.00 0.00 N ATOM 1656 CA LEU A 104 -8.623 3.428 -0.924 1.00 0.00 C ATOM 1657 C LEU A 104 -9.688 4.167 -1.727 1.00 0.00 C ATOM 1658 O LEU A 104 -9.420 5.213 -2.319 1.00 0.00 O ATOM 1659 CB LEU A 104 -7.786 2.548 -1.855 1.00 0.00 C ATOM 1660 CG LEU A 104 -6.472 2.019 -1.277 1.00 0.00 C ATOM 1661 CD1 LEU A 104 -5.847 1.001 -2.217 1.00 0.00 C ATOM 1662 CD2 LEU A 104 -5.507 3.166 -1.011 1.00 0.00 C ATOM 0 H LEU A 104 -9.172 1.612 -0.030 1.00 0.00 H new ATOM 0 HA LEU A 104 -7.975 4.165 -0.450 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.394 1.697 -2.161 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -7.560 3.119 -2.756 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.687 1.524 -0.330 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -4.913 0.636 -1.789 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.533 0.166 -2.357 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -5.646 1.470 -3.180 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.578 2.772 -0.600 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.298 3.689 -1.944 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.954 3.859 -0.298 1.00 0.00 H new ATOM 1674 N ARG A 105 -10.898 3.617 -1.742 1.00 0.00 N ATOM 1675 CA ARG A 105 -12.005 4.225 -2.472 1.00 0.00 C ATOM 1676 C ARG A 105 -12.651 5.337 -1.651 1.00 0.00 C ATOM 1677 O ARG A 105 -13.079 6.354 -2.195 1.00 0.00 O ATOM 1678 CB ARG A 105 -13.050 3.167 -2.831 1.00 0.00 C ATOM 1679 CG ARG A 105 -12.807 2.502 -4.175 1.00 0.00 C ATOM 1680 CD ARG A 105 -14.056 1.803 -4.686 1.00 0.00 C ATOM 1681 NE ARG A 105 -13.835 1.157 -5.977 1.00 0.00 N ATOM 1682 CZ ARG A 105 -13.216 -0.009 -6.119 1.00 0.00 C ATOM 1683 NH1 ARG A 105 -12.760 -0.656 -5.054 1.00 0.00 N ATOM 1684 NH2 ARG A 105 -13.052 -0.532 -7.327 1.00 0.00 N ATOM 0 H ARG A 105 -11.137 2.752 -1.257 1.00 0.00 H new ATOM 0 HA ARG A 105 -11.608 4.658 -3.390 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -13.062 2.403 -2.054 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -14.036 3.631 -2.838 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -12.486 3.250 -4.899 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -11.996 1.779 -4.083 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -14.377 1.058 -3.958 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -14.865 2.528 -4.778 1.00 0.00 H new ATOM 0 HE ARG A 105 -14.175 1.627 -6.816 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -12.885 -0.258 -4.123 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -12.285 -1.552 -5.166 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -13.402 -0.038 -8.148 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -12.576 -1.428 -7.435 1.00 0.00 H new ATOM 1698 N GLN A 106 -12.720 5.133 -0.339 1.00 0.00 N ATOM 1699 CA GLN A 106 -13.316 6.118 0.556 1.00 0.00 C ATOM 1700 C GLN A 106 -12.357 7.277 0.805 1.00 0.00 C ATOM 1701 O GLN A 106 -12.753 8.323 1.319 1.00 0.00 O ATOM 1702 CB GLN A 106 -13.701 5.464 1.884 1.00 0.00 C ATOM 1703 CG GLN A 106 -12.575 5.453 2.905 1.00 0.00 C ATOM 1704 CD GLN A 106 -13.032 4.981 4.272 1.00 0.00 C ATOM 1705 OE1 GLN A 106 -13.775 4.005 4.388 1.00 0.00 O ATOM 1706 NE2 GLN A 106 -12.588 5.670 5.316 1.00 0.00 N ATOM 0 H GLN A 106 -12.371 4.296 0.127 1.00 0.00 H new ATOM 0 HA GLN A 106 -14.214 6.510 0.079 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -14.557 5.992 2.305 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -14.020 4.439 1.696 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -11.774 4.805 2.550 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -12.158 6.456 2.992 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -11.974 6.472 5.174 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -12.861 5.397 6.260 1.00 0.00 H new ATOM 1715 N ALA A 107 -11.095 7.084 0.439 1.00 0.00 N ATOM 1716 CA ALA A 107 -10.080 8.114 0.623 1.00 0.00 C ATOM 1717 C ALA A 107 -9.872 8.914 -0.660 1.00 0.00 C ATOM 1718 O ALA A 107 -9.604 10.115 -0.618 1.00 0.00 O ATOM 1719 CB ALA A 107 -8.769 7.489 1.076 1.00 0.00 C ATOM 0 H ALA A 107 -10.750 6.224 0.013 1.00 0.00 H new ATOM 0 HA ALA A 107 -10.428 8.799 1.396 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -8.020 8.270 1.209 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -8.922 6.968 2.021 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -8.424 6.781 0.323 1.00 0.00 H new ATOM 1725 N ARG A 108 -9.996 8.240 -1.798 1.00 0.00 N ATOM 1726 CA ARG A 108 -9.819 8.887 -3.093 1.00 0.00 C ATOM 1727 C ARG A 108 -10.735 10.101 -3.223 1.00 0.00 C ATOM 1728 O ARG A 108 -10.327 11.148 -3.727 1.00 0.00 O ATOM 1729 CB ARG A 108 -10.102 7.897 -4.225 1.00 0.00 C ATOM 1730 CG ARG A 108 -9.513 8.316 -5.562 1.00 0.00 C ATOM 1731 CD ARG A 108 -10.249 7.667 -6.723 1.00 0.00 C ATOM 1732 NE ARG A 108 -9.866 6.268 -6.899 1.00 0.00 N ATOM 1733 CZ ARG A 108 -10.501 5.428 -7.709 1.00 0.00 C ATOM 1734 NH1 ARG A 108 -11.545 5.845 -8.413 1.00 0.00 N ATOM 1735 NH2 ARG A 108 -10.093 4.171 -7.816 1.00 0.00 N ATOM 0 H ARG A 108 -10.218 7.246 -1.850 1.00 0.00 H new ATOM 0 HA ARG A 108 -8.785 9.224 -3.165 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -9.702 6.921 -3.951 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -11.180 7.780 -4.333 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -9.563 9.401 -5.659 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -8.459 8.041 -5.599 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -11.324 7.730 -6.552 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -10.039 8.219 -7.639 1.00 0.00 H new ATOM 0 HE ARG A 108 -9.067 5.917 -6.371 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -11.861 6.811 -8.333 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -12.032 5.199 -9.035 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -9.290 3.848 -7.276 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -10.582 3.527 -8.438 1.00 0.00 H new ATOM 1749 N ARG A 109 -11.974 9.953 -2.766 1.00 0.00 N ATOM 1750 CA ARG A 109 -12.948 11.036 -2.833 1.00 0.00 C ATOM 1751 C ARG A 109 -12.514 12.212 -1.961 1.00 0.00 C ATOM 1752 O ARG A 109 -12.793 13.368 -2.279 1.00 0.00 O ATOM 1753 CB ARG A 109 -14.326 10.540 -2.390 1.00 0.00 C ATOM 1754 CG ARG A 109 -14.503 10.502 -0.881 1.00 0.00 C ATOM 1755 CD ARG A 109 -15.605 9.536 -0.475 1.00 0.00 C ATOM 1756 NE ARG A 109 -16.928 10.150 -0.554 1.00 0.00 N ATOM 1757 CZ ARG A 109 -18.063 9.464 -0.467 1.00 0.00 C ATOM 1758 NH1 ARG A 109 -18.035 8.150 -0.298 1.00 0.00 N ATOM 1759 NH2 ARG A 109 -19.227 10.094 -0.549 1.00 0.00 N ATOM 0 H ARG A 109 -12.327 9.094 -2.345 1.00 0.00 H new ATOM 0 HA ARG A 109 -13.007 11.375 -3.867 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -15.091 11.186 -2.821 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -14.489 9.540 -2.792 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -13.566 10.205 -0.411 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -14.740 11.501 -0.516 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -15.574 8.658 -1.121 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -15.426 9.190 0.543 1.00 0.00 H new ATOM 0 HE ARG A 109 -16.984 11.160 -0.683 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -17.141 7.663 -0.234 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -18.907 7.626 -0.231 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -19.251 11.105 -0.679 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -20.098 9.567 -0.482 1.00 0.00 H new ATOM 1773 N GLN A 110 -11.832 11.906 -0.862 1.00 0.00 N ATOM 1774 CA GLN A 110 -11.363 12.938 0.056 1.00 0.00 C ATOM 1775 C GLN A 110 -10.250 13.765 -0.580 1.00 0.00 C ATOM 1776 O GLN A 110 -10.312 14.994 -0.603 1.00 0.00 O ATOM 1777 CB GLN A 110 -10.865 12.305 1.356 1.00 0.00 C ATOM 1778 CG GLN A 110 -11.925 11.493 2.082 1.00 0.00 C ATOM 1779 CD GLN A 110 -11.666 11.396 3.573 1.00 0.00 C ATOM 1780 OE1 GLN A 110 -11.311 10.335 4.086 1.00 0.00 O ATOM 1781 NE2 GLN A 110 -11.843 12.507 4.279 1.00 0.00 N ATOM 0 H GLN A 110 -11.592 10.954 -0.586 1.00 0.00 H new ATOM 0 HA GLN A 110 -12.200 13.599 0.280 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -10.014 11.661 1.134 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -10.505 13.092 2.019 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -12.902 11.947 1.916 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -11.963 10.490 1.658 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -12.138 13.365 3.814 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -11.684 12.502 5.286 1.00 0.00 H new ATOM 1790 N ALA A 111 -9.232 13.083 -1.094 1.00 0.00 N ATOM 1791 CA ALA A 111 -8.106 13.755 -1.731 1.00 0.00 C ATOM 1792 C ALA A 111 -8.575 14.652 -2.872 1.00 0.00 C ATOM 1793 O ALA A 111 -7.859 15.557 -3.296 1.00 0.00 O ATOM 1794 CB ALA A 111 -7.101 12.733 -2.240 1.00 0.00 C ATOM 0 H ALA A 111 -9.164 12.065 -1.082 1.00 0.00 H new ATOM 0 HA ALA A 111 -7.622 14.385 -0.985 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -6.266 13.249 -2.713 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -6.733 12.137 -1.405 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -7.583 12.080 -2.967 1.00 0.00 H new ATOM 1800 N GLU A 112 -9.784 14.393 -3.362 1.00 0.00 N ATOM 1801 CA GLU A 112 -10.347 15.177 -4.455 1.00 0.00 C ATOM 1802 C GLU A 112 -11.243 16.291 -3.920 1.00 0.00 C ATOM 1803 O GLU A 112 -11.138 17.443 -4.341 1.00 0.00 O ATOM 1804 CB GLU A 112 -11.145 14.276 -5.400 1.00 0.00 C ATOM 1805 CG GLU A 112 -10.288 13.268 -6.147 1.00 0.00 C ATOM 1806 CD GLU A 112 -10.856 12.915 -7.509 1.00 0.00 C ATOM 1807 OE1 GLU A 112 -10.702 13.729 -8.443 1.00 0.00 O ATOM 1808 OE2 GLU A 112 -11.455 11.826 -7.639 1.00 0.00 O ATOM 0 H GLU A 112 -10.391 13.648 -3.020 1.00 0.00 H new ATOM 0 HA GLU A 112 -9.522 15.630 -5.006 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -11.902 13.742 -4.826 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -11.673 14.898 -6.123 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -9.283 13.672 -6.270 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -10.196 12.361 -5.549 1.00 0.00 H new ATOM 1815 N LYS A 113 -12.122 15.939 -2.989 1.00 0.00 N ATOM 1816 CA LYS A 113 -13.037 16.907 -2.394 1.00 0.00 C ATOM 1817 C LYS A 113 -12.271 18.088 -1.807 1.00 0.00 C ATOM 1818 O LYS A 113 -12.830 19.168 -1.617 1.00 0.00 O ATOM 1819 CB LYS A 113 -13.881 16.241 -1.307 1.00 0.00 C ATOM 1820 CG LYS A 113 -13.253 16.303 0.075 1.00 0.00 C ATOM 1821 CD LYS A 113 -14.194 15.767 1.141 1.00 0.00 C ATOM 1822 CE LYS A 113 -15.194 16.824 1.584 1.00 0.00 C ATOM 1823 NZ LYS A 113 -14.653 17.674 2.680 1.00 0.00 N ATOM 0 H LYS A 113 -12.221 14.990 -2.629 1.00 0.00 H new ATOM 0 HA LYS A 113 -13.696 17.278 -3.179 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -14.859 16.720 -1.274 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -14.046 15.198 -1.575 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -12.328 15.726 0.081 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -12.987 17.334 0.309 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -14.728 14.899 0.754 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -13.616 15.428 2.001 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -15.459 17.453 0.734 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -16.111 16.339 1.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -15.364 18.382 2.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -14.424 17.078 3.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -13.792 18.157 2.352 1.00 0.00 H new ATOM 1837 N MET A 114 -10.991 17.876 -1.523 1.00 0.00 N ATOM 1838 CA MET A 114 -10.149 18.925 -0.961 1.00 0.00 C ATOM 1839 C MET A 114 -10.324 20.232 -1.726 1.00 0.00 C ATOM 1840 O MET A 114 -10.658 21.264 -1.144 1.00 0.00 O ATOM 1841 CB MET A 114 -8.680 18.497 -0.986 1.00 0.00 C ATOM 1842 CG MET A 114 -8.426 17.154 -0.323 1.00 0.00 C ATOM 1843 SD MET A 114 -6.749 17.004 0.324 1.00 0.00 S ATOM 1844 CE MET A 114 -6.973 15.716 1.548 1.00 0.00 C ATOM 0 H MET A 114 -10.514 16.987 -1.673 1.00 0.00 H new ATOM 0 HA MET A 114 -10.455 19.087 0.072 1.00 0.00 H new ATOM 0 HB2 MET A 114 -8.341 18.452 -2.021 1.00 0.00 H new ATOM 0 HB3 MET A 114 -8.080 19.258 -0.487 1.00 0.00 H new ATOM 0 HG2 MET A 114 -9.139 17.014 0.490 1.00 0.00 H new ATOM 0 HG3 MET A 114 -8.605 16.357 -1.045 1.00 0.00 H new ATOM 0 HE1 MET A 114 -6.539 16.035 2.495 1.00 0.00 H new ATOM 0 HE2 MET A 114 -8.037 15.524 1.683 1.00 0.00 H new ATOM 0 HE3 MET A 114 -6.479 14.804 1.211 1.00 0.00 H new