USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 585 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 60 TYR OH : rot 130:sc= 0.3 USER MOD Set 1.2: A 70 SER OG : rot 138:sc= 0.319 USER MOD Set 2.1: A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -163:sc= -0.0181 (180deg=-0.356) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.016 K(o=-0.016,f=-1.8!) USER MOD Single : A 40 THR OG1 : rot 63:sc= -0.111! USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot -170:sc= -3.5! USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -126:sc= -0.0219 (180deg=-0.485) USER MOD Single : A 64 GLN : amide:sc= -3.26! C(o=-3.3!,f=-5.3!) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -3.7! C(o=-3.7!,f=-2.5!) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 71.655 0.492 -10.805 1.00 0.00 N ATOM 2 CA MET A 1 70.377 -0.072 -10.286 1.00 0.00 C ATOM 3 C MET A 1 70.562 -1.553 -9.982 1.00 0.00 C ATOM 4 O MET A 1 70.163 -2.412 -10.770 1.00 0.00 O ATOM 5 CB MET A 1 69.278 0.109 -11.333 1.00 0.00 C ATOM 6 CG MET A 1 68.961 1.597 -11.491 1.00 0.00 C ATOM 7 SD MET A 1 67.641 1.804 -12.711 1.00 0.00 S ATOM 8 CE MET A 1 67.753 3.603 -12.867 1.00 0.00 C ATOM 0 H1 MET A 1 71.628 1.530 -10.741 1.00 0.00 H new ATOM 0 H2 MET A 1 72.449 0.131 -10.239 1.00 0.00 H new ATOM 0 H3 MET A 1 71.781 0.209 -11.798 1.00 0.00 H new ATOM 0 HA MET A 1 70.092 0.449 -9.372 1.00 0.00 H new ATOM 0 HB2 MET A 1 69.599 -0.308 -12.288 1.00 0.00 H new ATOM 0 HB3 MET A 1 68.382 -0.434 -11.032 1.00 0.00 H new ATOM 0 HG2 MET A 1 68.656 2.019 -10.533 1.00 0.00 H new ATOM 0 HG3 MET A 1 69.852 2.138 -11.808 1.00 0.00 H new ATOM 0 HE1 MET A 1 67.012 3.953 -13.586 1.00 0.00 H new ATOM 0 HE2 MET A 1 67.565 4.065 -11.898 1.00 0.00 H new ATOM 0 HE3 MET A 1 68.750 3.877 -13.212 1.00 0.00 H new ATOM 20 N TYR A 2 71.166 -1.850 -8.836 1.00 0.00 N ATOM 21 CA TYR A 2 71.394 -3.235 -8.438 1.00 0.00 C ATOM 22 C TYR A 2 70.112 -3.814 -7.845 1.00 0.00 C ATOM 23 O TYR A 2 69.387 -3.123 -7.127 1.00 0.00 O ATOM 24 CB TYR A 2 72.538 -3.312 -7.414 1.00 0.00 C ATOM 25 CG TYR A 2 73.160 -4.701 -7.431 1.00 0.00 C ATOM 26 CD1 TYR A 2 72.526 -5.771 -6.778 1.00 0.00 C ATOM 27 CD2 TYR A 2 74.375 -4.921 -8.105 1.00 0.00 C ATOM 28 CE1 TYR A 2 73.103 -7.047 -6.801 1.00 0.00 C ATOM 29 CE2 TYR A 2 74.946 -6.198 -8.124 1.00 0.00 C ATOM 30 CZ TYR A 2 74.311 -7.260 -7.471 1.00 0.00 C ATOM 31 OH TYR A 2 74.875 -8.519 -7.490 1.00 0.00 O ATOM 0 H TYR A 2 71.505 -1.155 -8.170 1.00 0.00 H new ATOM 0 HA TYR A 2 71.676 -3.818 -9.315 1.00 0.00 H new ATOM 0 HB2 TYR A 2 73.295 -2.563 -7.645 1.00 0.00 H new ATOM 0 HB3 TYR A 2 72.160 -3.086 -6.417 1.00 0.00 H new ATOM 0 HD1 TYR A 2 71.593 -5.610 -6.258 1.00 0.00 H new ATOM 0 HD2 TYR A 2 74.868 -4.103 -8.609 1.00 0.00 H new ATOM 0 HE1 TYR A 2 72.613 -7.869 -6.300 1.00 0.00 H new ATOM 0 HE2 TYR A 2 75.878 -6.364 -8.643 1.00 0.00 H new ATOM 0 HH TYR A 2 75.712 -8.495 -7.999 1.00 0.00 H new ATOM 41 N GLU A 3 69.831 -5.079 -8.154 1.00 0.00 N ATOM 42 CA GLU A 3 68.620 -5.742 -7.651 1.00 0.00 C ATOM 43 C GLU A 3 68.982 -6.900 -6.727 1.00 0.00 C ATOM 44 O GLU A 3 69.900 -7.669 -7.012 1.00 0.00 O ATOM 45 CB GLU A 3 67.779 -6.275 -8.821 1.00 0.00 C ATOM 46 CG GLU A 3 67.151 -5.110 -9.596 1.00 0.00 C ATOM 47 CD GLU A 3 66.405 -5.641 -10.813 1.00 0.00 C ATOM 48 OE1 GLU A 3 66.428 -6.843 -11.021 1.00 0.00 O ATOM 49 OE2 GLU A 3 65.821 -4.839 -11.525 1.00 0.00 O ATOM 0 H GLU A 3 70.419 -5.666 -8.746 1.00 0.00 H new ATOM 0 HA GLU A 3 68.042 -5.006 -7.092 1.00 0.00 H new ATOM 0 HB2 GLU A 3 68.405 -6.869 -9.487 1.00 0.00 H new ATOM 0 HB3 GLU A 3 66.997 -6.935 -8.445 1.00 0.00 H new ATOM 0 HG2 GLU A 3 66.467 -4.559 -8.951 1.00 0.00 H new ATOM 0 HG3 GLU A 3 67.926 -4.411 -9.910 1.00 0.00 H new ATOM 56 N PHE A 4 68.239 -7.030 -5.625 1.00 0.00 N ATOM 57 CA PHE A 4 68.475 -8.119 -4.667 1.00 0.00 C ATOM 58 C PHE A 4 67.433 -9.212 -4.891 1.00 0.00 C ATOM 59 O PHE A 4 66.264 -9.056 -4.538 1.00 0.00 O ATOM 60 CB PHE A 4 68.422 -7.570 -3.211 1.00 0.00 C ATOM 61 CG PHE A 4 67.926 -8.613 -2.204 1.00 0.00 C ATOM 62 CD1 PHE A 4 68.348 -9.955 -2.282 1.00 0.00 C ATOM 63 CD2 PHE A 4 67.035 -8.226 -1.180 1.00 0.00 C ATOM 64 CE1 PHE A 4 67.880 -10.892 -1.353 1.00 0.00 C ATOM 65 CE2 PHE A 4 66.575 -9.170 -0.255 1.00 0.00 C ATOM 66 CZ PHE A 4 66.995 -10.501 -0.343 1.00 0.00 C ATOM 0 H PHE A 4 67.475 -6.402 -5.373 1.00 0.00 H new ATOM 0 HA PHE A 4 69.466 -8.546 -4.821 1.00 0.00 H new ATOM 0 HB2 PHE A 4 69.416 -7.232 -2.918 1.00 0.00 H new ATOM 0 HB3 PHE A 4 67.767 -6.699 -3.179 1.00 0.00 H new ATOM 0 HD1 PHE A 4 69.033 -10.261 -3.059 1.00 0.00 H new ATOM 0 HD2 PHE A 4 66.708 -7.199 -1.110 1.00 0.00 H new ATOM 0 HE1 PHE A 4 68.204 -11.920 -1.416 1.00 0.00 H new ATOM 0 HE2 PHE A 4 65.894 -8.870 0.528 1.00 0.00 H new ATOM 0 HZ PHE A 4 66.635 -11.228 0.370 1.00 0.00 H new ATOM 76 N LYS A 5 67.872 -10.319 -5.488 1.00 0.00 N ATOM 77 CA LYS A 5 66.985 -11.448 -5.770 1.00 0.00 C ATOM 78 C LYS A 5 67.411 -12.662 -4.958 1.00 0.00 C ATOM 79 O LYS A 5 68.536 -13.140 -5.088 1.00 0.00 O ATOM 80 CB LYS A 5 67.039 -11.796 -7.259 1.00 0.00 C ATOM 81 CG LYS A 5 66.484 -10.627 -8.079 1.00 0.00 C ATOM 82 CD LYS A 5 66.466 -10.985 -9.572 1.00 0.00 C ATOM 83 CE LYS A 5 67.889 -10.972 -10.146 1.00 0.00 C ATOM 84 NZ LYS A 5 67.818 -11.002 -11.634 1.00 0.00 N ATOM 0 H LYS A 5 68.837 -10.459 -5.786 1.00 0.00 H new ATOM 0 HA LYS A 5 65.967 -11.168 -5.498 1.00 0.00 H new ATOM 0 HB2 LYS A 5 68.066 -12.007 -7.557 1.00 0.00 H new ATOM 0 HB3 LYS A 5 66.459 -12.698 -7.454 1.00 0.00 H new ATOM 0 HG2 LYS A 5 65.475 -10.385 -7.744 1.00 0.00 H new ATOM 0 HG3 LYS A 5 67.095 -9.739 -7.918 1.00 0.00 H new ATOM 0 HD2 LYS A 5 66.021 -11.970 -9.710 1.00 0.00 H new ATOM 0 HD3 LYS A 5 65.842 -10.275 -10.115 1.00 0.00 H new ATOM 0 HE2 LYS A 5 68.420 -10.080 -9.813 1.00 0.00 H new ATOM 0 HE3 LYS A 5 68.450 -11.832 -9.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 68.781 -10.993 -12.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 67.326 -11.866 -11.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 67.298 -10.168 -11.974 1.00 0.00 H new ATOM 98 N LEU A 6 66.502 -13.158 -4.128 1.00 0.00 N ATOM 99 CA LEU A 6 66.803 -14.333 -3.301 1.00 0.00 C ATOM 100 C LEU A 6 67.456 -15.418 -4.173 1.00 0.00 C ATOM 101 O LEU A 6 66.770 -16.034 -4.989 1.00 0.00 O ATOM 102 CB LEU A 6 65.516 -14.895 -2.663 1.00 0.00 C ATOM 103 CG LEU A 6 65.865 -15.796 -1.467 1.00 0.00 C ATOM 104 CD1 LEU A 6 64.570 -16.220 -0.766 1.00 0.00 C ATOM 105 CD2 LEU A 6 66.629 -17.045 -1.943 1.00 0.00 C ATOM 0 H LEU A 6 65.564 -12.777 -4.006 1.00 0.00 H new ATOM 0 HA LEU A 6 67.485 -14.034 -2.505 1.00 0.00 H new ATOM 0 HB2 LEU A 6 64.876 -14.076 -2.336 1.00 0.00 H new ATOM 0 HB3 LEU A 6 64.953 -15.463 -3.403 1.00 0.00 H new ATOM 0 HG LEU A 6 66.499 -15.243 -0.774 1.00 0.00 H new ATOM 0 HD11 LEU A 6 64.809 -16.860 0.084 1.00 0.00 H new ATOM 0 HD12 LEU A 6 64.039 -15.335 -0.416 1.00 0.00 H new ATOM 0 HD13 LEU A 6 63.940 -16.768 -1.466 1.00 0.00 H new ATOM 0 HD21 LEU A 6 66.869 -17.673 -1.085 1.00 0.00 H new ATOM 0 HD22 LEU A 6 66.009 -17.606 -2.642 1.00 0.00 H new ATOM 0 HD23 LEU A 6 67.550 -16.741 -2.439 1.00 0.00 H new ATOM 117 N PRO A 7 68.746 -15.679 -4.043 1.00 0.00 N ATOM 118 CA PRO A 7 69.420 -16.725 -4.873 1.00 0.00 C ATOM 119 C PRO A 7 68.726 -18.081 -4.773 1.00 0.00 C ATOM 120 O PRO A 7 68.206 -18.456 -3.721 1.00 0.00 O ATOM 121 CB PRO A 7 70.849 -16.794 -4.308 1.00 0.00 C ATOM 122 CG PRO A 7 71.070 -15.480 -3.636 1.00 0.00 C ATOM 123 CD PRO A 7 69.703 -15.028 -3.122 1.00 0.00 C ATOM 0 HA PRO A 7 69.394 -16.474 -5.933 1.00 0.00 H new ATOM 0 HB2 PRO A 7 70.954 -17.619 -3.603 1.00 0.00 H new ATOM 0 HB3 PRO A 7 71.578 -16.958 -5.101 1.00 0.00 H new ATOM 0 HG2 PRO A 7 71.781 -15.577 -2.816 1.00 0.00 H new ATOM 0 HG3 PRO A 7 71.484 -14.751 -4.333 1.00 0.00 H new ATOM 0 HD2 PRO A 7 69.541 -15.340 -2.090 1.00 0.00 H new ATOM 0 HD3 PRO A 7 69.606 -13.943 -3.146 1.00 0.00 H new ATOM 221 N GLU A 15 59.785 -20.801 -1.561 1.00 0.00 N ATOM 222 CA GLU A 15 58.925 -19.625 -1.491 1.00 0.00 C ATOM 223 C GLU A 15 59.566 -18.581 -0.578 1.00 0.00 C ATOM 224 O GLU A 15 60.347 -18.925 0.309 1.00 0.00 O ATOM 225 CB GLU A 15 57.543 -20.027 -0.969 1.00 0.00 C ATOM 226 CG GLU A 15 56.579 -18.849 -1.090 1.00 0.00 C ATOM 227 CD GLU A 15 55.171 -19.299 -0.703 1.00 0.00 C ATOM 228 OE1 GLU A 15 55.056 -20.347 -0.089 1.00 0.00 O ATOM 229 OE2 GLU A 15 54.233 -18.592 -1.027 1.00 0.00 O ATOM 0 HA GLU A 15 58.806 -19.195 -2.485 1.00 0.00 H new ATOM 0 HB2 GLU A 15 57.164 -20.878 -1.535 1.00 0.00 H new ATOM 0 HB3 GLU A 15 57.616 -20.343 0.072 1.00 0.00 H new ATOM 0 HG2 GLU A 15 56.902 -18.033 -0.443 1.00 0.00 H new ATOM 0 HG3 GLU A 15 56.582 -18.467 -2.111 1.00 0.00 H new ATOM 236 N GLY A 16 59.254 -17.305 -0.806 1.00 0.00 N ATOM 237 CA GLY A 16 59.834 -16.230 0.000 1.00 0.00 C ATOM 238 C GLY A 16 58.874 -15.779 1.094 1.00 0.00 C ATOM 239 O GLY A 16 57.665 -15.752 0.888 1.00 0.00 O ATOM 0 H GLY A 16 58.611 -16.993 -1.533 1.00 0.00 H new ATOM 0 HA2 GLY A 16 60.766 -16.572 0.450 1.00 0.00 H new ATOM 0 HA3 GLY A 16 60.081 -15.384 -0.642 1.00 0.00 H new ATOM 243 N GLU A 17 59.421 -15.417 2.254 1.00 0.00 N ATOM 244 CA GLU A 17 58.602 -14.951 3.367 1.00 0.00 C ATOM 245 C GLU A 17 59.449 -14.099 4.304 1.00 0.00 C ATOM 246 O GLU A 17 60.515 -14.522 4.743 1.00 0.00 O ATOM 247 CB GLU A 17 58.011 -16.140 4.128 1.00 0.00 C ATOM 248 CG GLU A 17 57.096 -15.635 5.247 1.00 0.00 C ATOM 249 CD GLU A 17 56.463 -16.816 5.974 1.00 0.00 C ATOM 250 OE1 GLU A 17 56.513 -17.911 5.438 1.00 0.00 O ATOM 251 OE2 GLU A 17 55.940 -16.609 7.056 1.00 0.00 O ATOM 0 H GLU A 17 60.423 -15.438 2.445 1.00 0.00 H new ATOM 0 HA GLU A 17 57.782 -14.349 2.976 1.00 0.00 H new ATOM 0 HB2 GLU A 17 57.449 -16.777 3.446 1.00 0.00 H new ATOM 0 HB3 GLU A 17 58.811 -16.750 4.547 1.00 0.00 H new ATOM 0 HG2 GLU A 17 57.667 -15.028 5.950 1.00 0.00 H new ATOM 0 HG3 GLU A 17 56.319 -14.994 4.831 1.00 0.00 H new ATOM 258 N ILE A 18 58.981 -12.889 4.591 1.00 0.00 N ATOM 259 CA ILE A 18 59.716 -11.967 5.465 1.00 0.00 C ATOM 260 C ILE A 18 59.114 -11.920 6.868 1.00 0.00 C ATOM 261 O ILE A 18 57.951 -11.557 7.043 1.00 0.00 O ATOM 262 CB ILE A 18 59.691 -10.567 4.829 1.00 0.00 C ATOM 263 CG1 ILE A 18 60.619 -10.536 3.598 1.00 0.00 C ATOM 264 CG2 ILE A 18 60.123 -9.497 5.840 1.00 0.00 C ATOM 265 CD1 ILE A 18 62.086 -10.310 4.013 1.00 0.00 C ATOM 0 H ILE A 18 58.099 -12.520 4.235 1.00 0.00 H new ATOM 0 HA ILE A 18 60.742 -12.319 5.567 1.00 0.00 H new ATOM 0 HB ILE A 18 58.670 -10.348 4.518 1.00 0.00 H new ATOM 0 HG12 ILE A 18 60.533 -11.475 3.051 1.00 0.00 H new ATOM 0 HG13 ILE A 18 60.303 -9.742 2.921 1.00 0.00 H new ATOM 0 HG21 ILE A 18 60.097 -8.516 5.365 1.00 0.00 H new ATOM 0 HG22 ILE A 18 59.443 -9.506 6.692 1.00 0.00 H new ATOM 0 HG23 ILE A 18 61.136 -9.708 6.182 1.00 0.00 H new ATOM 0 HD11 ILE A 18 62.717 -10.293 3.124 1.00 0.00 H new ATOM 0 HD12 ILE A 18 62.173 -9.359 4.538 1.00 0.00 H new ATOM 0 HD13 ILE A 18 62.407 -11.118 4.670 1.00 0.00 H new ATOM 277 N VAL A 19 59.924 -12.278 7.864 1.00 0.00 N ATOM 278 CA VAL A 19 59.477 -12.261 9.252 1.00 0.00 C ATOM 279 C VAL A 19 59.692 -10.877 9.878 1.00 0.00 C ATOM 280 O VAL A 19 58.793 -10.342 10.529 1.00 0.00 O ATOM 281 CB VAL A 19 60.237 -13.325 10.052 1.00 0.00 C ATOM 282 CG1 VAL A 19 61.695 -12.896 10.234 1.00 0.00 C ATOM 283 CG2 VAL A 19 59.577 -13.511 11.423 1.00 0.00 C ATOM 0 H VAL A 19 60.889 -12.582 7.734 1.00 0.00 H new ATOM 0 HA VAL A 19 58.410 -12.483 9.277 1.00 0.00 H new ATOM 0 HB VAL A 19 60.208 -14.269 9.508 1.00 0.00 H new ATOM 0 HG11 VAL A 19 62.230 -13.656 10.803 1.00 0.00 H new ATOM 0 HG12 VAL A 19 62.164 -12.777 9.257 1.00 0.00 H new ATOM 0 HG13 VAL A 19 61.731 -11.948 10.771 1.00 0.00 H new ATOM 0 HG21 VAL A 19 60.120 -14.268 11.989 1.00 0.00 H new ATOM 0 HG22 VAL A 19 59.597 -12.567 11.968 1.00 0.00 H new ATOM 0 HG23 VAL A 19 58.543 -13.830 11.289 1.00 0.00 H new ATOM 293 N ARG A 20 60.891 -10.299 9.693 1.00 0.00 N ATOM 294 CA ARG A 20 61.196 -8.977 10.267 1.00 0.00 C ATOM 295 C ARG A 20 62.061 -8.121 9.333 1.00 0.00 C ATOM 296 O ARG A 20 62.917 -8.634 8.613 1.00 0.00 O ATOM 297 CB ARG A 20 61.929 -9.146 11.602 1.00 0.00 C ATOM 298 CG ARG A 20 60.962 -9.687 12.656 1.00 0.00 C ATOM 299 CD ARG A 20 61.708 -9.900 13.974 1.00 0.00 C ATOM 300 NE ARG A 20 60.799 -10.418 14.989 1.00 0.00 N ATOM 301 CZ ARG A 20 61.241 -10.770 16.193 1.00 0.00 C ATOM 302 NH1 ARG A 20 62.506 -10.645 16.487 1.00 0.00 N ATOM 303 NH2 ARG A 20 60.407 -11.240 17.079 1.00 0.00 N ATOM 0 H ARG A 20 61.653 -10.718 9.160 1.00 0.00 H new ATOM 0 HA ARG A 20 60.245 -8.465 10.412 1.00 0.00 H new ATOM 0 HB2 ARG A 20 62.770 -9.828 11.482 1.00 0.00 H new ATOM 0 HB3 ARG A 20 62.338 -8.189 11.927 1.00 0.00 H new ATOM 0 HG2 ARG A 20 60.138 -8.988 12.801 1.00 0.00 H new ATOM 0 HG3 ARG A 20 60.527 -10.627 12.317 1.00 0.00 H new ATOM 0 HD2 ARG A 20 62.533 -10.596 13.825 1.00 0.00 H new ATOM 0 HD3 ARG A 20 62.142 -8.959 14.311 1.00 0.00 H new ATOM 0 HE ARG A 20 59.807 -10.512 14.772 1.00 0.00 H new ATOM 0 HH11 ARG A 20 63.157 -10.277 15.793 1.00 0.00 H new ATOM 0 HH12 ARG A 20 62.844 -10.915 17.411 1.00 0.00 H new ATOM 0 HH21 ARG A 20 59.418 -11.337 16.848 1.00 0.00 H new ATOM 0 HH22 ARG A 20 60.744 -11.511 18.003 1.00 0.00 H new ATOM 317 N TRP A 21 61.846 -6.800 9.396 1.00 0.00 N ATOM 318 CA TRP A 21 62.624 -5.833 8.600 1.00 0.00 C ATOM 319 C TRP A 21 63.469 -4.987 9.557 1.00 0.00 C ATOM 320 O TRP A 21 62.971 -4.532 10.587 1.00 0.00 O ATOM 321 CB TRP A 21 61.694 -4.877 7.812 1.00 0.00 C ATOM 322 CG TRP A 21 61.250 -5.463 6.504 1.00 0.00 C ATOM 323 CD1 TRP A 21 59.965 -5.774 6.205 1.00 0.00 C ATOM 324 CD2 TRP A 21 62.031 -5.768 5.307 1.00 0.00 C ATOM 325 NE1 TRP A 21 59.912 -6.272 4.916 1.00 0.00 N ATOM 326 CE2 TRP A 21 61.158 -6.289 4.320 1.00 0.00 C ATOM 327 CE3 TRP A 21 63.400 -5.657 4.980 1.00 0.00 C ATOM 328 CZ2 TRP A 21 61.621 -6.683 3.061 1.00 0.00 C ATOM 329 CZ3 TRP A 21 63.866 -6.051 3.710 1.00 0.00 C ATOM 330 CH2 TRP A 21 62.979 -6.561 2.754 1.00 0.00 C ATOM 0 H TRP A 21 61.137 -6.372 9.992 1.00 0.00 H new ATOM 0 HA TRP A 21 63.244 -6.386 7.894 1.00 0.00 H new ATOM 0 HB2 TRP A 21 60.819 -4.643 8.418 1.00 0.00 H new ATOM 0 HB3 TRP A 21 62.215 -3.937 7.628 1.00 0.00 H new ATOM 0 HD1 TRP A 21 59.120 -5.653 6.866 1.00 0.00 H new ATOM 0 HE1 TRP A 21 59.056 -6.589 4.460 1.00 0.00 H new ATOM 0 HE3 TRP A 21 64.095 -5.267 5.709 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 60.933 -7.080 2.329 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 64.915 -5.959 3.472 1.00 0.00 H new ATOM 0 HH2 TRP A 21 63.343 -6.859 1.782 1.00 0.00 H new ATOM 341 N ASP A 22 64.737 -4.756 9.218 1.00 0.00 N ATOM 342 CA ASP A 22 65.608 -3.936 10.069 1.00 0.00 C ATOM 343 C ASP A 22 65.715 -2.514 9.529 1.00 0.00 C ATOM 344 O ASP A 22 66.298 -1.640 10.169 1.00 0.00 O ATOM 345 CB ASP A 22 67.002 -4.558 10.140 1.00 0.00 C ATOM 346 CG ASP A 22 67.508 -4.866 8.735 1.00 0.00 C ATOM 347 OD1 ASP A 22 66.742 -4.696 7.803 1.00 0.00 O ATOM 348 OD2 ASP A 22 68.652 -5.269 8.614 1.00 0.00 O ATOM 0 H ASP A 22 65.182 -5.117 8.374 1.00 0.00 H new ATOM 0 HA ASP A 22 65.171 -3.899 11.067 1.00 0.00 H new ATOM 0 HB2 ASP A 22 67.689 -3.876 10.641 1.00 0.00 H new ATOM 0 HB3 ASP A 22 66.972 -5.472 10.733 1.00 0.00 H new ATOM 353 N VAL A 23 65.153 -2.288 8.343 1.00 0.00 N ATOM 354 CA VAL A 23 65.192 -0.966 7.716 1.00 0.00 C ATOM 355 C VAL A 23 63.905 -0.707 6.934 1.00 0.00 C ATOM 356 O VAL A 23 63.175 -1.643 6.605 1.00 0.00 O ATOM 357 CB VAL A 23 66.403 -0.887 6.789 1.00 0.00 C ATOM 358 CG1 VAL A 23 67.682 -1.022 7.619 1.00 0.00 C ATOM 359 CG2 VAL A 23 66.339 -2.029 5.772 1.00 0.00 C ATOM 0 H VAL A 23 64.667 -3.000 7.798 1.00 0.00 H new ATOM 0 HA VAL A 23 65.277 -0.202 8.489 1.00 0.00 H new ATOM 0 HB VAL A 23 66.402 0.069 6.266 1.00 0.00 H new ATOM 0 HG11 VAL A 23 68.550 -0.966 6.962 1.00 0.00 H new ATOM 0 HG12 VAL A 23 67.728 -0.215 8.350 1.00 0.00 H new ATOM 0 HG13 VAL A 23 67.680 -1.981 8.137 1.00 0.00 H new ATOM 0 HG21 VAL A 23 67.203 -1.975 5.109 1.00 0.00 H new ATOM 0 HG22 VAL A 23 66.344 -2.984 6.297 1.00 0.00 H new ATOM 0 HG23 VAL A 23 65.425 -1.942 5.185 1.00 0.00 H new ATOM 369 N LYS A 24 63.625 0.567 6.641 1.00 0.00 N ATOM 370 CA LYS A 24 62.411 0.929 5.900 1.00 0.00 C ATOM 371 C LYS A 24 62.695 2.026 4.876 1.00 0.00 C ATOM 372 O LYS A 24 63.635 2.804 5.022 1.00 0.00 O ATOM 373 CB LYS A 24 61.333 1.409 6.873 1.00 0.00 C ATOM 374 CG LYS A 24 60.879 0.238 7.748 1.00 0.00 C ATOM 375 CD LYS A 24 59.795 0.711 8.717 1.00 0.00 C ATOM 376 CE LYS A 24 59.337 -0.464 9.583 1.00 0.00 C ATOM 377 NZ LYS A 24 58.279 -0.002 10.526 1.00 0.00 N ATOM 0 H LYS A 24 64.215 1.357 6.902 1.00 0.00 H new ATOM 0 HA LYS A 24 62.063 0.043 5.369 1.00 0.00 H new ATOM 0 HB2 LYS A 24 61.723 2.213 7.497 1.00 0.00 H new ATOM 0 HB3 LYS A 24 60.485 1.815 6.322 1.00 0.00 H new ATOM 0 HG2 LYS A 24 60.495 -0.569 7.123 1.00 0.00 H new ATOM 0 HG3 LYS A 24 61.727 -0.164 8.303 1.00 0.00 H new ATOM 0 HD2 LYS A 24 60.180 1.513 9.347 1.00 0.00 H new ATOM 0 HD3 LYS A 24 58.950 1.119 8.163 1.00 0.00 H new ATOM 0 HE2 LYS A 24 58.953 -1.266 8.953 1.00 0.00 H new ATOM 0 HE3 LYS A 24 60.182 -0.872 10.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 57.967 -0.800 11.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 58.661 0.750 11.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 57.470 0.367 9.986 1.00 0.00 H new ATOM 391 N GLU A 25 61.862 2.079 3.840 1.00 0.00 N ATOM 392 CA GLU A 25 62.009 3.079 2.783 1.00 0.00 C ATOM 393 C GLU A 25 62.229 4.474 3.363 1.00 0.00 C ATOM 394 O GLU A 25 61.616 4.844 4.364 1.00 0.00 O ATOM 395 CB GLU A 25 60.743 3.087 1.920 1.00 0.00 C ATOM 396 CG GLU A 25 60.883 4.105 0.780 1.00 0.00 C ATOM 397 CD GLU A 25 59.636 4.074 -0.096 1.00 0.00 C ATOM 398 OE1 GLU A 25 58.663 3.461 0.312 1.00 0.00 O ATOM 399 OE2 GLU A 25 59.673 4.662 -1.165 1.00 0.00 O ATOM 0 H GLU A 25 61.077 1.441 3.709 1.00 0.00 H new ATOM 0 HA GLU A 25 62.880 2.817 2.183 1.00 0.00 H new ATOM 0 HB2 GLU A 25 60.568 2.093 1.509 1.00 0.00 H new ATOM 0 HB3 GLU A 25 59.877 3.335 2.534 1.00 0.00 H new ATOM 0 HG2 GLU A 25 61.027 5.105 1.189 1.00 0.00 H new ATOM 0 HG3 GLU A 25 61.765 3.876 0.182 1.00 0.00 H new ATOM 406 N GLY A 26 63.088 5.258 2.703 1.00 0.00 N ATOM 407 CA GLY A 26 63.356 6.629 3.137 1.00 0.00 C ATOM 408 C GLY A 26 64.513 6.729 4.132 1.00 0.00 C ATOM 409 O GLY A 26 64.734 7.796 4.705 1.00 0.00 O ATOM 0 H GLY A 26 63.605 4.968 1.873 1.00 0.00 H new ATOM 0 HA2 GLY A 26 63.581 7.242 2.264 1.00 0.00 H new ATOM 0 HA3 GLY A 26 62.456 7.042 3.593 1.00 0.00 H new ATOM 413 N ASP A 27 65.246 5.632 4.356 1.00 0.00 N ATOM 414 CA ASP A 27 66.366 5.656 5.311 1.00 0.00 C ATOM 415 C ASP A 27 67.642 5.082 4.698 1.00 0.00 C ATOM 416 O ASP A 27 67.597 4.208 3.833 1.00 0.00 O ATOM 417 CB ASP A 27 65.993 4.867 6.569 1.00 0.00 C ATOM 418 CG ASP A 27 65.879 3.379 6.246 1.00 0.00 C ATOM 419 OD1 ASP A 27 65.986 3.034 5.083 1.00 0.00 O ATOM 420 OD2 ASP A 27 65.684 2.607 7.171 1.00 0.00 O ATOM 0 H ASP A 27 65.091 4.733 3.901 1.00 0.00 H new ATOM 0 HA ASP A 27 66.560 6.696 5.573 1.00 0.00 H new ATOM 0 HB2 ASP A 27 66.747 5.022 7.341 1.00 0.00 H new ATOM 0 HB3 ASP A 27 65.047 5.233 6.969 1.00 0.00 H new ATOM 425 N MET A 28 68.781 5.597 5.160 1.00 0.00 N ATOM 426 CA MET A 28 70.086 5.153 4.667 1.00 0.00 C ATOM 427 C MET A 28 70.549 3.907 5.422 1.00 0.00 C ATOM 428 O MET A 28 70.198 3.711 6.584 1.00 0.00 O ATOM 429 CB MET A 28 71.119 6.272 4.852 1.00 0.00 C ATOM 430 CG MET A 28 70.760 7.451 3.946 1.00 0.00 C ATOM 431 SD MET A 28 71.947 8.793 4.202 1.00 0.00 S ATOM 432 CE MET A 28 71.068 10.058 3.251 1.00 0.00 C ATOM 0 H MET A 28 68.827 6.323 5.875 1.00 0.00 H new ATOM 0 HA MET A 28 69.992 4.911 3.608 1.00 0.00 H new ATOM 0 HB2 MET A 28 71.141 6.593 5.893 1.00 0.00 H new ATOM 0 HB3 MET A 28 72.116 5.905 4.611 1.00 0.00 H new ATOM 0 HG2 MET A 28 70.769 7.137 2.902 1.00 0.00 H new ATOM 0 HG3 MET A 28 69.750 7.798 4.166 1.00 0.00 H new ATOM 0 HE1 MET A 28 71.634 10.989 3.275 1.00 0.00 H new ATOM 0 HE2 MET A 28 70.958 9.726 2.219 1.00 0.00 H new ATOM 0 HE3 MET A 28 70.082 10.221 3.687 1.00 0.00 H new ATOM 442 N VAL A 29 71.350 3.071 4.756 1.00 0.00 N ATOM 443 CA VAL A 29 71.871 1.847 5.382 1.00 0.00 C ATOM 444 C VAL A 29 73.333 1.636 4.997 1.00 0.00 C ATOM 445 O VAL A 29 73.756 1.982 3.895 1.00 0.00 O ATOM 446 CB VAL A 29 71.042 0.614 4.968 1.00 0.00 C ATOM 447 CG1 VAL A 29 70.893 0.559 3.443 1.00 0.00 C ATOM 448 CG2 VAL A 29 71.746 -0.663 5.454 1.00 0.00 C ATOM 0 H VAL A 29 71.651 3.215 3.792 1.00 0.00 H new ATOM 0 HA VAL A 29 71.796 1.967 6.463 1.00 0.00 H new ATOM 0 HB VAL A 29 70.053 0.688 5.420 1.00 0.00 H new ATOM 0 HG11 VAL A 29 70.306 -0.316 3.166 1.00 0.00 H new ATOM 0 HG12 VAL A 29 70.388 1.460 3.094 1.00 0.00 H new ATOM 0 HG13 VAL A 29 71.879 0.495 2.983 1.00 0.00 H new ATOM 0 HG21 VAL A 29 71.161 -1.535 5.162 1.00 0.00 H new ATOM 0 HG22 VAL A 29 72.738 -0.725 5.006 1.00 0.00 H new ATOM 0 HG23 VAL A 29 71.840 -0.636 6.540 1.00 0.00 H new ATOM 458 N GLU A 30 74.096 1.059 5.923 1.00 0.00 N ATOM 459 CA GLU A 30 75.517 0.790 5.695 1.00 0.00 C ATOM 460 C GLU A 30 75.895 -0.562 6.288 1.00 0.00 C ATOM 461 O GLU A 30 75.264 -1.019 7.238 1.00 0.00 O ATOM 462 CB GLU A 30 76.366 1.886 6.345 1.00 0.00 C ATOM 463 CG GLU A 30 76.143 3.212 5.615 1.00 0.00 C ATOM 464 CD GLU A 30 76.928 4.323 6.304 1.00 0.00 C ATOM 465 OE1 GLU A 30 77.595 4.028 7.283 1.00 0.00 O ATOM 466 OE2 GLU A 30 76.849 5.450 5.845 1.00 0.00 O ATOM 0 H GLU A 30 73.755 0.768 6.839 1.00 0.00 H new ATOM 0 HA GLU A 30 75.703 0.776 4.621 1.00 0.00 H new ATOM 0 HB2 GLU A 30 76.100 1.990 7.397 1.00 0.00 H new ATOM 0 HB3 GLU A 30 77.420 1.612 6.308 1.00 0.00 H new ATOM 0 HG2 GLU A 30 76.459 3.122 4.576 1.00 0.00 H new ATOM 0 HG3 GLU A 30 75.081 3.458 5.605 1.00 0.00 H new ATOM 473 N LYS A 31 76.927 -1.186 5.706 1.00 0.00 N ATOM 474 CA LYS A 31 77.422 -2.504 6.155 1.00 0.00 C ATOM 475 C LYS A 31 76.789 -3.622 5.341 1.00 0.00 C ATOM 476 O LYS A 31 75.567 -3.736 5.281 1.00 0.00 O ATOM 477 CB LYS A 31 77.142 -2.737 7.655 1.00 0.00 C ATOM 478 CG LYS A 31 78.082 -3.820 8.219 1.00 0.00 C ATOM 479 CD LYS A 31 79.425 -3.202 8.631 1.00 0.00 C ATOM 480 CE LYS A 31 80.292 -4.274 9.294 1.00 0.00 C ATOM 481 NZ LYS A 31 81.607 -3.685 9.678 1.00 0.00 N ATOM 0 H LYS A 31 77.443 -0.799 4.916 1.00 0.00 H new ATOM 0 HA LYS A 31 78.501 -2.511 6.001 1.00 0.00 H new ATOM 0 HB2 LYS A 31 77.279 -1.806 8.205 1.00 0.00 H new ATOM 0 HB3 LYS A 31 76.104 -3.040 7.794 1.00 0.00 H new ATOM 0 HG2 LYS A 31 77.617 -4.302 9.079 1.00 0.00 H new ATOM 0 HG3 LYS A 31 78.246 -4.595 7.470 1.00 0.00 H new ATOM 0 HD2 LYS A 31 79.934 -2.795 7.758 1.00 0.00 H new ATOM 0 HD3 LYS A 31 79.261 -2.373 9.320 1.00 0.00 H new ATOM 0 HE2 LYS A 31 79.788 -4.670 10.176 1.00 0.00 H new ATOM 0 HE3 LYS A 31 80.442 -5.109 8.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 82.196 -4.414 10.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 82.089 -3.327 8.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 81.455 -2.902 10.345 1.00 0.00 H new ATOM 495 N ASP A 32 77.631 -4.453 4.725 1.00 0.00 N ATOM 496 CA ASP A 32 77.120 -5.571 3.925 1.00 0.00 C ATOM 497 C ASP A 32 76.555 -6.664 4.833 1.00 0.00 C ATOM 498 O ASP A 32 76.012 -7.655 4.349 1.00 0.00 O ATOM 499 CB ASP A 32 78.214 -6.164 3.016 1.00 0.00 C ATOM 500 CG ASP A 32 79.514 -6.326 3.796 1.00 0.00 C ATOM 501 OD1 ASP A 32 79.541 -5.933 4.952 1.00 0.00 O ATOM 502 OD2 ASP A 32 80.462 -6.842 3.229 1.00 0.00 O ATOM 0 H ASP A 32 78.648 -4.378 4.761 1.00 0.00 H new ATOM 0 HA ASP A 32 76.324 -5.181 3.290 1.00 0.00 H new ATOM 0 HB2 ASP A 32 77.891 -7.130 2.628 1.00 0.00 H new ATOM 0 HB3 ASP A 32 78.375 -5.513 2.157 1.00 0.00 H new ATOM 507 N GLN A 33 76.672 -6.476 6.154 1.00 0.00 N ATOM 508 CA GLN A 33 76.155 -7.451 7.119 1.00 0.00 C ATOM 509 C GLN A 33 75.347 -6.744 8.210 1.00 0.00 C ATOM 510 O GLN A 33 75.889 -6.393 9.260 1.00 0.00 O ATOM 511 CB GLN A 33 77.318 -8.211 7.758 1.00 0.00 C ATOM 512 CG GLN A 33 76.773 -9.262 8.727 1.00 0.00 C ATOM 513 CD GLN A 33 77.907 -10.152 9.221 1.00 0.00 C ATOM 514 OE1 GLN A 33 78.982 -10.181 8.621 1.00 0.00 O ATOM 515 NE2 GLN A 33 77.732 -10.886 10.285 1.00 0.00 N ATOM 0 H GLN A 33 77.118 -5.661 6.576 1.00 0.00 H new ATOM 0 HA GLN A 33 75.505 -8.151 6.594 1.00 0.00 H new ATOM 0 HB2 GLN A 33 77.920 -8.691 6.986 1.00 0.00 H new ATOM 0 HB3 GLN A 33 77.972 -7.518 8.287 1.00 0.00 H new ATOM 0 HG2 GLN A 33 76.289 -8.773 9.572 1.00 0.00 H new ATOM 0 HG3 GLN A 33 76.014 -9.867 8.231 1.00 0.00 H new ATOM 0 HE21 GLN A 33 76.841 -10.861 10.781 1.00 0.00 H new ATOM 0 HE22 GLN A 33 78.486 -11.485 10.621 1.00 0.00 H new ATOM 524 N ASP A 34 74.048 -6.537 7.962 1.00 0.00 N ATOM 525 CA ASP A 34 73.179 -5.869 8.936 1.00 0.00 C ATOM 526 C ASP A 34 72.401 -6.913 9.751 1.00 0.00 C ATOM 527 O ASP A 34 73.000 -7.652 10.531 1.00 0.00 O ATOM 528 CB ASP A 34 72.247 -4.897 8.199 1.00 0.00 C ATOM 529 CG ASP A 34 71.321 -5.663 7.261 1.00 0.00 C ATOM 530 OD1 ASP A 34 71.511 -6.861 7.129 1.00 0.00 O ATOM 531 OD2 ASP A 34 70.443 -5.041 6.685 1.00 0.00 O ATOM 0 H ASP A 34 73.579 -6.820 7.102 1.00 0.00 H new ATOM 0 HA ASP A 34 73.778 -5.292 9.641 1.00 0.00 H new ATOM 0 HB2 ASP A 34 71.658 -4.330 8.920 1.00 0.00 H new ATOM 0 HB3 ASP A 34 72.836 -4.177 7.632 1.00 0.00 H new ATOM 536 N LEU A 35 71.082 -6.989 9.582 1.00 0.00 N ATOM 537 CA LEU A 35 70.295 -7.962 10.324 1.00 0.00 C ATOM 538 C LEU A 35 68.890 -8.082 9.736 1.00 0.00 C ATOM 539 O LEU A 35 67.932 -7.516 10.254 1.00 0.00 O ATOM 540 CB LEU A 35 70.219 -7.546 11.796 1.00 0.00 C ATOM 541 CG LEU A 35 69.425 -8.579 12.612 1.00 0.00 C ATOM 542 CD1 LEU A 35 70.089 -9.964 12.523 1.00 0.00 C ATOM 543 CD2 LEU A 35 69.377 -8.126 14.076 1.00 0.00 C ATOM 0 H LEU A 35 70.546 -6.397 8.947 1.00 0.00 H new ATOM 0 HA LEU A 35 70.779 -8.936 10.249 1.00 0.00 H new ATOM 0 HB2 LEU A 35 71.225 -7.448 12.204 1.00 0.00 H new ATOM 0 HB3 LEU A 35 69.745 -6.568 11.879 1.00 0.00 H new ATOM 0 HG LEU A 35 68.415 -8.653 12.209 1.00 0.00 H new ATOM 0 HD11 LEU A 35 69.513 -10.682 13.107 1.00 0.00 H new ATOM 0 HD12 LEU A 35 70.122 -10.286 11.482 1.00 0.00 H new ATOM 0 HD13 LEU A 35 71.104 -9.907 12.917 1.00 0.00 H new ATOM 0 HD21 LEU A 35 68.816 -8.853 14.663 1.00 0.00 H new ATOM 0 HD22 LEU A 35 70.392 -8.050 14.467 1.00 0.00 H new ATOM 0 HD23 LEU A 35 68.890 -7.153 14.140 1.00 0.00 H new ATOM 555 N VAL A 36 68.783 -8.846 8.657 1.00 0.00 N ATOM 556 CA VAL A 36 67.500 -9.085 7.983 1.00 0.00 C ATOM 557 C VAL A 36 67.203 -10.583 8.065 1.00 0.00 C ATOM 558 O VAL A 36 68.072 -11.405 7.777 1.00 0.00 O ATOM 559 CB VAL A 36 67.561 -8.591 6.498 1.00 0.00 C ATOM 560 CG1 VAL A 36 69.001 -8.216 6.131 1.00 0.00 C ATOM 561 CG2 VAL A 36 67.070 -9.676 5.519 1.00 0.00 C ATOM 0 H VAL A 36 69.575 -9.318 8.221 1.00 0.00 H new ATOM 0 HA VAL A 36 66.700 -8.526 8.468 1.00 0.00 H new ATOM 0 HB VAL A 36 66.908 -7.722 6.415 1.00 0.00 H new ATOM 0 HG11 VAL A 36 69.035 -7.873 5.097 1.00 0.00 H new ATOM 0 HG12 VAL A 36 69.348 -7.419 6.789 1.00 0.00 H new ATOM 0 HG13 VAL A 36 69.645 -9.088 6.246 1.00 0.00 H new ATOM 0 HG21 VAL A 36 67.127 -9.298 4.498 1.00 0.00 H new ATOM 0 HG22 VAL A 36 67.698 -10.562 5.613 1.00 0.00 H new ATOM 0 HG23 VAL A 36 66.038 -9.937 5.753 1.00 0.00 H new ATOM 571 N GLU A 37 65.981 -10.935 8.457 1.00 0.00 N ATOM 572 CA GLU A 37 65.597 -12.344 8.570 1.00 0.00 C ATOM 573 C GLU A 37 64.611 -12.721 7.469 1.00 0.00 C ATOM 574 O GLU A 37 63.554 -12.107 7.327 1.00 0.00 O ATOM 575 CB GLU A 37 64.964 -12.605 9.938 1.00 0.00 C ATOM 576 CG GLU A 37 66.031 -12.481 11.031 1.00 0.00 C ATOM 577 CD GLU A 37 65.391 -12.650 12.405 1.00 0.00 C ATOM 578 OE1 GLU A 37 64.197 -12.899 12.453 1.00 0.00 O ATOM 579 OE2 GLU A 37 66.103 -12.526 13.387 1.00 0.00 O ATOM 0 H GLU A 37 65.244 -10.273 8.700 1.00 0.00 H new ATOM 0 HA GLU A 37 66.493 -12.955 8.463 1.00 0.00 H new ATOM 0 HB2 GLU A 37 64.159 -11.893 10.119 1.00 0.00 H new ATOM 0 HB3 GLU A 37 64.520 -13.600 9.960 1.00 0.00 H new ATOM 0 HG2 GLU A 37 66.803 -13.236 10.885 1.00 0.00 H new ATOM 0 HG3 GLU A 37 66.520 -11.509 10.965 1.00 0.00 H new ATOM 586 N VAL A 38 64.971 -13.741 6.694 1.00 0.00 N ATOM 587 CA VAL A 38 64.129 -14.220 5.595 1.00 0.00 C ATOM 588 C VAL A 38 63.672 -15.646 5.884 1.00 0.00 C ATOM 589 O VAL A 38 64.485 -16.522 6.180 1.00 0.00 O ATOM 590 CB VAL A 38 64.942 -14.207 4.300 1.00 0.00 C ATOM 591 CG1 VAL A 38 64.083 -14.638 3.106 1.00 0.00 C ATOM 592 CG2 VAL A 38 65.502 -12.803 4.051 1.00 0.00 C ATOM 0 H VAL A 38 65.844 -14.256 6.806 1.00 0.00 H new ATOM 0 HA VAL A 38 63.258 -13.573 5.495 1.00 0.00 H new ATOM 0 HB VAL A 38 65.763 -14.916 4.407 1.00 0.00 H new ATOM 0 HG11 VAL A 38 64.686 -14.620 2.198 1.00 0.00 H new ATOM 0 HG12 VAL A 38 63.709 -15.648 3.273 1.00 0.00 H new ATOM 0 HG13 VAL A 38 63.242 -13.953 2.997 1.00 0.00 H new ATOM 0 HG21 VAL A 38 66.080 -12.800 3.127 1.00 0.00 H new ATOM 0 HG22 VAL A 38 64.679 -12.093 3.966 1.00 0.00 H new ATOM 0 HG23 VAL A 38 66.145 -12.515 4.882 1.00 0.00 H new ATOM 602 N MET A 39 62.366 -15.870 5.794 1.00 0.00 N ATOM 603 CA MET A 39 61.787 -17.192 6.043 1.00 0.00 C ATOM 604 C MET A 39 61.294 -17.801 4.735 1.00 0.00 C ATOM 605 O MET A 39 61.001 -17.084 3.778 1.00 0.00 O ATOM 606 CB MET A 39 60.625 -17.064 7.032 1.00 0.00 C ATOM 607 CG MET A 39 60.015 -18.442 7.298 1.00 0.00 C ATOM 608 SD MET A 39 58.768 -18.308 8.603 1.00 0.00 S ATOM 609 CE MET A 39 59.856 -18.686 9.999 1.00 0.00 C ATOM 0 H MET A 39 61.683 -15.153 5.550 1.00 0.00 H new ATOM 0 HA MET A 39 62.550 -17.844 6.468 1.00 0.00 H new ATOM 0 HB2 MET A 39 60.977 -16.626 7.966 1.00 0.00 H new ATOM 0 HB3 MET A 39 59.866 -16.392 6.631 1.00 0.00 H new ATOM 0 HG2 MET A 39 59.563 -18.833 6.387 1.00 0.00 H new ATOM 0 HG3 MET A 39 60.793 -19.145 7.595 1.00 0.00 H new ATOM 0 HE1 MET A 39 59.282 -18.658 10.925 1.00 0.00 H new ATOM 0 HE2 MET A 39 60.285 -19.680 9.868 1.00 0.00 H new ATOM 0 HE3 MET A 39 60.657 -17.948 10.046 1.00 0.00 H new ATOM 619 N THR A 40 61.209 -19.131 4.697 1.00 0.00 N ATOM 620 CA THR A 40 60.756 -19.842 3.499 1.00 0.00 C ATOM 621 C THR A 40 59.702 -20.888 3.860 1.00 0.00 C ATOM 622 O THR A 40 58.634 -20.549 4.368 1.00 0.00 O ATOM 623 CB THR A 40 61.953 -20.515 2.815 1.00 0.00 C ATOM 624 OG1 THR A 40 61.485 -21.433 1.836 1.00 0.00 O ATOM 625 CG2 THR A 40 62.797 -21.254 3.858 1.00 0.00 C ATOM 0 H THR A 40 61.448 -19.738 5.481 1.00 0.00 H new ATOM 0 HA THR A 40 60.306 -19.124 2.814 1.00 0.00 H new ATOM 0 HB THR A 40 62.568 -19.755 2.333 1.00 0.00 H new ATOM 0 HG1 THR A 40 60.995 -20.947 1.140 1.00 0.00 H new ATOM 0 HG21 THR A 40 63.646 -21.730 3.368 1.00 0.00 H new ATOM 0 HG22 THR A 40 63.159 -20.545 4.602 1.00 0.00 H new ATOM 0 HG23 THR A 40 62.187 -22.014 4.347 1.00 0.00 H new ATOM 633 N ASP A 41 60.001 -22.157 3.597 1.00 0.00 N ATOM 634 CA ASP A 41 59.047 -23.229 3.906 1.00 0.00 C ATOM 635 C ASP A 41 58.854 -23.370 5.415 1.00 0.00 C ATOM 636 O ASP A 41 57.722 -23.458 5.893 1.00 0.00 O ATOM 637 CB ASP A 41 59.541 -24.558 3.325 1.00 0.00 C ATOM 638 CG ASP A 41 60.926 -24.889 3.870 1.00 0.00 C ATOM 639 OD1 ASP A 41 61.561 -23.996 4.405 1.00 0.00 O ATOM 640 OD2 ASP A 41 61.331 -26.032 3.741 1.00 0.00 O ATOM 0 H ASP A 41 60.877 -22.469 3.179 1.00 0.00 H new ATOM 0 HA ASP A 41 58.089 -22.969 3.455 1.00 0.00 H new ATOM 0 HB2 ASP A 41 58.843 -25.356 3.578 1.00 0.00 H new ATOM 0 HB3 ASP A 41 59.575 -24.497 2.237 1.00 0.00 H new ATOM 645 N LYS A 42 59.958 -23.379 6.163 1.00 0.00 N ATOM 646 CA LYS A 42 59.878 -23.504 7.620 1.00 0.00 C ATOM 647 C LYS A 42 61.256 -23.358 8.272 1.00 0.00 C ATOM 648 O LYS A 42 61.691 -24.239 9.013 1.00 0.00 O ATOM 649 CB LYS A 42 59.282 -24.872 8.006 1.00 0.00 C ATOM 650 CG LYS A 42 58.710 -24.809 9.430 1.00 0.00 C ATOM 651 CD LYS A 42 58.028 -26.139 9.793 1.00 0.00 C ATOM 652 CE LYS A 42 56.661 -26.254 9.104 1.00 0.00 C ATOM 653 NZ LYS A 42 55.895 -27.373 9.723 1.00 0.00 N ATOM 0 H LYS A 42 60.905 -23.303 5.792 1.00 0.00 H new ATOM 0 HA LYS A 42 59.234 -22.702 7.981 1.00 0.00 H new ATOM 0 HB2 LYS A 42 58.498 -25.149 7.301 1.00 0.00 H new ATOM 0 HB3 LYS A 42 60.050 -25.643 7.947 1.00 0.00 H new ATOM 0 HG2 LYS A 42 59.509 -24.597 10.141 1.00 0.00 H new ATOM 0 HG3 LYS A 42 57.992 -23.992 9.505 1.00 0.00 H new ATOM 0 HD2 LYS A 42 58.663 -26.973 9.493 1.00 0.00 H new ATOM 0 HD3 LYS A 42 57.903 -26.206 10.874 1.00 0.00 H new ATOM 0 HE2 LYS A 42 56.109 -25.319 9.205 1.00 0.00 H new ATOM 0 HE3 LYS A 42 56.792 -26.433 8.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 54.967 -27.456 9.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 56.422 -28.262 9.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 55.761 -27.183 10.737 1.00 0.00 H new ATOM 667 N VAL A 43 61.935 -22.242 8.011 1.00 0.00 N ATOM 668 CA VAL A 43 63.249 -22.010 8.605 1.00 0.00 C ATOM 669 C VAL A 43 63.626 -20.534 8.528 1.00 0.00 C ATOM 670 O VAL A 43 63.186 -19.816 7.630 1.00 0.00 O ATOM 671 CB VAL A 43 64.318 -22.879 7.925 1.00 0.00 C ATOM 672 CG1 VAL A 43 64.405 -22.568 6.426 1.00 0.00 C ATOM 673 CG2 VAL A 43 65.679 -22.620 8.579 1.00 0.00 C ATOM 0 H VAL A 43 61.603 -21.495 7.401 1.00 0.00 H new ATOM 0 HA VAL A 43 63.198 -22.294 9.656 1.00 0.00 H new ATOM 0 HB VAL A 43 64.040 -23.926 8.046 1.00 0.00 H new ATOM 0 HG11 VAL A 43 65.169 -23.196 5.968 1.00 0.00 H new ATOM 0 HG12 VAL A 43 63.442 -22.767 5.957 1.00 0.00 H new ATOM 0 HG13 VAL A 43 64.666 -21.519 6.287 1.00 0.00 H new ATOM 0 HG21 VAL A 43 66.438 -23.236 8.097 1.00 0.00 H new ATOM 0 HG22 VAL A 43 65.942 -21.568 8.468 1.00 0.00 H new ATOM 0 HG23 VAL A 43 65.627 -22.871 9.638 1.00 0.00 H new ATOM 683 N THR A 44 64.443 -20.088 9.481 1.00 0.00 N ATOM 684 CA THR A 44 64.885 -18.688 9.528 1.00 0.00 C ATOM 685 C THR A 44 66.398 -18.611 9.355 1.00 0.00 C ATOM 686 O THR A 44 67.152 -19.207 10.124 1.00 0.00 O ATOM 687 CB THR A 44 64.498 -18.075 10.882 1.00 0.00 C ATOM 688 OG1 THR A 44 63.148 -18.400 11.174 1.00 0.00 O ATOM 689 CG2 THR A 44 64.645 -16.550 10.837 1.00 0.00 C ATOM 0 H THR A 44 64.814 -20.671 10.231 1.00 0.00 H new ATOM 0 HA THR A 44 64.403 -18.136 8.721 1.00 0.00 H new ATOM 0 HB THR A 44 65.157 -18.476 11.652 1.00 0.00 H new ATOM 0 HG1 THR A 44 62.898 -18.012 12.038 1.00 0.00 H new ATOM 0 HG21 THR A 44 64.367 -16.129 11.803 1.00 0.00 H new ATOM 0 HG22 THR A 44 65.680 -16.291 10.612 1.00 0.00 H new ATOM 0 HG23 THR A 44 63.993 -16.144 10.064 1.00 0.00 H new ATOM 697 N VAL A 45 66.839 -17.871 8.338 1.00 0.00 N ATOM 698 CA VAL A 45 68.269 -17.711 8.060 1.00 0.00 C ATOM 699 C VAL A 45 68.605 -16.234 7.881 1.00 0.00 C ATOM 700 O VAL A 45 67.733 -15.423 7.566 1.00 0.00 O ATOM 701 CB VAL A 45 68.634 -18.475 6.783 1.00 0.00 C ATOM 702 CG1 VAL A 45 68.328 -19.961 6.972 1.00 0.00 C ATOM 703 CG2 VAL A 45 67.815 -17.929 5.610 1.00 0.00 C ATOM 0 H VAL A 45 66.227 -17.372 7.692 1.00 0.00 H new ATOM 0 HA VAL A 45 68.839 -18.109 8.899 1.00 0.00 H new ATOM 0 HB VAL A 45 69.696 -18.348 6.574 1.00 0.00 H new ATOM 0 HG11 VAL A 45 68.588 -20.504 6.063 1.00 0.00 H new ATOM 0 HG12 VAL A 45 68.912 -20.349 7.807 1.00 0.00 H new ATOM 0 HG13 VAL A 45 67.266 -20.090 7.181 1.00 0.00 H new ATOM 0 HG21 VAL A 45 68.074 -18.472 4.701 1.00 0.00 H new ATOM 0 HG22 VAL A 45 66.753 -18.056 5.818 1.00 0.00 H new ATOM 0 HG23 VAL A 45 68.034 -16.870 5.475 1.00 0.00 H new ATOM 713 N LYS A 46 69.876 -15.886 8.088 1.00 0.00 N ATOM 714 CA LYS A 46 70.324 -14.498 7.951 1.00 0.00 C ATOM 715 C LYS A 46 71.177 -14.332 6.698 1.00 0.00 C ATOM 716 O LYS A 46 72.063 -15.142 6.427 1.00 0.00 O ATOM 717 CB LYS A 46 71.146 -14.100 9.181 1.00 0.00 C ATOM 718 CG LYS A 46 70.245 -14.097 10.417 1.00 0.00 C ATOM 719 CD LYS A 46 71.069 -13.713 11.647 1.00 0.00 C ATOM 720 CE LYS A 46 70.169 -13.712 12.885 1.00 0.00 C ATOM 721 NZ LYS A 46 70.976 -13.351 14.084 1.00 0.00 N ATOM 0 H LYS A 46 70.611 -16.543 8.350 1.00 0.00 H new ATOM 0 HA LYS A 46 69.447 -13.856 7.868 1.00 0.00 H new ATOM 0 HB2 LYS A 46 71.972 -14.798 9.321 1.00 0.00 H new ATOM 0 HB3 LYS A 46 71.584 -13.113 9.035 1.00 0.00 H new ATOM 0 HG2 LYS A 46 69.425 -13.392 10.281 1.00 0.00 H new ATOM 0 HG3 LYS A 46 69.799 -15.082 10.558 1.00 0.00 H new ATOM 0 HD2 LYS A 46 71.890 -14.417 11.782 1.00 0.00 H new ATOM 0 HD3 LYS A 46 71.514 -12.728 11.507 1.00 0.00 H new ATOM 0 HE2 LYS A 46 69.353 -13.001 12.755 1.00 0.00 H new ATOM 0 HE3 LYS A 46 69.717 -14.694 13.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 70.365 -13.350 14.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 71.739 -14.046 14.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 71.387 -12.405 13.954 1.00 0.00 H new ATOM 735 N ILE A 47 70.903 -13.272 5.935 1.00 0.00 N ATOM 736 CA ILE A 47 71.649 -12.989 4.700 1.00 0.00 C ATOM 737 C ILE A 47 72.366 -11.627 4.819 1.00 0.00 C ATOM 738 O ILE A 47 71.769 -10.671 5.312 1.00 0.00 O ATOM 739 CB ILE A 47 70.672 -12.966 3.518 1.00 0.00 C ATOM 740 CG1 ILE A 47 69.908 -14.294 3.480 1.00 0.00 C ATOM 741 CG2 ILE A 47 71.438 -12.783 2.202 1.00 0.00 C ATOM 742 CD1 ILE A 47 68.922 -14.291 2.310 1.00 0.00 C ATOM 0 H ILE A 47 70.171 -12.594 6.147 1.00 0.00 H new ATOM 0 HA ILE A 47 72.398 -13.765 4.539 1.00 0.00 H new ATOM 0 HB ILE A 47 69.977 -12.135 3.640 1.00 0.00 H new ATOM 0 HG12 ILE A 47 70.607 -15.124 3.376 1.00 0.00 H new ATOM 0 HG13 ILE A 47 69.373 -14.443 4.418 1.00 0.00 H new ATOM 0 HG21 ILE A 47 70.734 -12.768 1.370 1.00 0.00 H new ATOM 0 HG22 ILE A 47 71.988 -11.842 2.229 1.00 0.00 H new ATOM 0 HG23 ILE A 47 72.138 -13.608 2.070 1.00 0.00 H new ATOM 0 HD11 ILE A 47 68.381 -15.237 2.287 1.00 0.00 H new ATOM 0 HD12 ILE A 47 68.214 -13.471 2.433 1.00 0.00 H new ATOM 0 HD13 ILE A 47 69.467 -14.162 1.375 1.00 0.00 H new ATOM 754 N PRO A 48 73.613 -11.495 4.382 1.00 0.00 N ATOM 755 CA PRO A 48 74.340 -10.185 4.473 1.00 0.00 C ATOM 756 C PRO A 48 73.527 -9.020 3.886 1.00 0.00 C ATOM 757 O PRO A 48 72.838 -9.180 2.879 1.00 0.00 O ATOM 758 CB PRO A 48 75.632 -10.419 3.663 1.00 0.00 C ATOM 759 CG PRO A 48 75.848 -11.899 3.664 1.00 0.00 C ATOM 760 CD PRO A 48 74.468 -12.550 3.785 1.00 0.00 C ATOM 0 HA PRO A 48 74.528 -9.900 5.508 1.00 0.00 H new ATOM 0 HB2 PRO A 48 75.531 -10.039 2.646 1.00 0.00 H new ATOM 0 HB3 PRO A 48 76.477 -9.900 4.115 1.00 0.00 H new ATOM 0 HG2 PRO A 48 76.346 -12.217 2.748 1.00 0.00 H new ATOM 0 HG3 PRO A 48 76.489 -12.195 4.495 1.00 0.00 H new ATOM 0 HD2 PRO A 48 74.090 -12.864 2.812 1.00 0.00 H new ATOM 0 HD3 PRO A 48 74.502 -13.438 4.416 1.00 0.00 H new ATOM 768 N SER A 49 73.615 -7.850 4.535 1.00 0.00 N ATOM 769 CA SER A 49 72.888 -6.656 4.088 1.00 0.00 C ATOM 770 C SER A 49 72.836 -6.589 2.550 1.00 0.00 C ATOM 771 O SER A 49 73.669 -7.194 1.875 1.00 0.00 O ATOM 772 CB SER A 49 73.563 -5.391 4.666 1.00 0.00 C ATOM 773 OG SER A 49 72.573 -4.551 5.244 1.00 0.00 O ATOM 0 H SER A 49 74.182 -7.706 5.370 1.00 0.00 H new ATOM 0 HA SER A 49 71.863 -6.711 4.453 1.00 0.00 H new ATOM 0 HB2 SER A 49 74.302 -5.670 5.417 1.00 0.00 H new ATOM 0 HB3 SER A 49 74.095 -4.857 3.879 1.00 0.00 H new ATOM 0 HG SER A 49 72.970 -3.684 5.468 1.00 0.00 H new ATOM 779 N PRO A 50 71.882 -5.879 1.990 1.00 0.00 N ATOM 780 CA PRO A 50 71.741 -5.751 0.507 1.00 0.00 C ATOM 781 C PRO A 50 72.737 -4.748 -0.096 1.00 0.00 C ATOM 782 O PRO A 50 72.363 -3.925 -0.930 1.00 0.00 O ATOM 783 CB PRO A 50 70.298 -5.261 0.346 1.00 0.00 C ATOM 784 CG PRO A 50 70.051 -4.435 1.563 1.00 0.00 C ATOM 785 CD PRO A 50 70.829 -5.117 2.695 1.00 0.00 C ATOM 0 HA PRO A 50 71.951 -6.685 -0.014 1.00 0.00 H new ATOM 0 HB2 PRO A 50 70.177 -4.674 -0.564 1.00 0.00 H new ATOM 0 HB3 PRO A 50 69.599 -6.095 0.283 1.00 0.00 H new ATOM 0 HG2 PRO A 50 70.392 -3.410 1.416 1.00 0.00 H new ATOM 0 HG3 PRO A 50 68.987 -4.387 1.794 1.00 0.00 H new ATOM 0 HD2 PRO A 50 71.256 -4.387 3.383 1.00 0.00 H new ATOM 0 HD3 PRO A 50 70.187 -5.772 3.283 1.00 0.00 H new ATOM 793 N VAL A 51 74.004 -4.822 0.329 1.00 0.00 N ATOM 794 CA VAL A 51 75.032 -3.908 -0.191 1.00 0.00 C ATOM 795 C VAL A 51 74.712 -2.454 0.184 1.00 0.00 C ATOM 796 O VAL A 51 73.680 -1.916 -0.218 1.00 0.00 O ATOM 797 CB VAL A 51 75.123 -4.055 -1.719 1.00 0.00 C ATOM 798 CG1 VAL A 51 76.413 -3.406 -2.231 1.00 0.00 C ATOM 799 CG2 VAL A 51 75.134 -5.543 -2.075 1.00 0.00 C ATOM 0 H VAL A 51 74.340 -5.493 1.020 1.00 0.00 H new ATOM 0 HA VAL A 51 75.991 -4.168 0.257 1.00 0.00 H new ATOM 0 HB VAL A 51 74.267 -3.564 -2.182 1.00 0.00 H new ATOM 0 HG11 VAL A 51 76.470 -3.514 -3.314 1.00 0.00 H new ATOM 0 HG12 VAL A 51 76.415 -2.347 -1.972 1.00 0.00 H new ATOM 0 HG13 VAL A 51 77.273 -3.894 -1.772 1.00 0.00 H new ATOM 0 HG21 VAL A 51 75.198 -5.658 -3.157 1.00 0.00 H new ATOM 0 HG22 VAL A 51 75.994 -6.023 -1.607 1.00 0.00 H new ATOM 0 HG23 VAL A 51 74.218 -6.010 -1.714 1.00 0.00 H new ATOM 809 N ARG A 52 75.600 -1.829 0.966 1.00 0.00 N ATOM 810 CA ARG A 52 75.407 -0.448 1.402 1.00 0.00 C ATOM 811 C ARG A 52 75.079 0.475 0.228 1.00 0.00 C ATOM 812 O ARG A 52 75.564 0.278 -0.887 1.00 0.00 O ATOM 813 CB ARG A 52 76.681 0.041 2.102 1.00 0.00 C ATOM 814 CG ARG A 52 77.853 0.027 1.117 1.00 0.00 C ATOM 815 CD ARG A 52 79.130 0.458 1.841 1.00 0.00 C ATOM 816 NE ARG A 52 80.246 0.518 0.902 1.00 0.00 N ATOM 817 CZ ARG A 52 80.948 -0.570 0.594 1.00 0.00 C ATOM 818 NH1 ARG A 52 80.638 -1.719 1.127 1.00 0.00 N ATOM 819 NH2 ARG A 52 81.944 -0.486 -0.244 1.00 0.00 N ATOM 0 H ARG A 52 76.458 -2.261 1.308 1.00 0.00 H new ATOM 0 HA ARG A 52 74.562 -0.422 2.090 1.00 0.00 H new ATOM 0 HB2 ARG A 52 76.531 1.049 2.488 1.00 0.00 H new ATOM 0 HB3 ARG A 52 76.905 -0.597 2.957 1.00 0.00 H new ATOM 0 HG2 ARG A 52 77.979 -0.971 0.698 1.00 0.00 H new ATOM 0 HG3 ARG A 52 77.650 0.699 0.283 1.00 0.00 H new ATOM 0 HD2 ARG A 52 78.982 1.433 2.304 1.00 0.00 H new ATOM 0 HD3 ARG A 52 79.357 -0.245 2.643 1.00 0.00 H new ATOM 0 HE ARG A 52 80.492 1.410 0.474 1.00 0.00 H new ATOM 0 HH11 ARG A 52 79.857 -1.784 1.780 1.00 0.00 H new ATOM 0 HH12 ARG A 52 81.176 -2.553 0.891 1.00 0.00 H new ATOM 0 HH21 ARG A 52 82.184 0.413 -0.662 1.00 0.00 H new ATOM 0 HH22 ARG A 52 82.483 -1.319 -0.481 1.00 0.00 H new ATOM 833 N GLY A 53 74.255 1.489 0.495 1.00 0.00 N ATOM 834 CA GLY A 53 73.864 2.447 -0.532 1.00 0.00 C ATOM 835 C GLY A 53 72.635 3.242 -0.088 1.00 0.00 C ATOM 836 O GLY A 53 72.558 3.674 1.063 1.00 0.00 O ATOM 0 H GLY A 53 73.848 1.665 1.413 1.00 0.00 H new ATOM 0 HA2 GLY A 53 74.690 3.128 -0.735 1.00 0.00 H new ATOM 0 HA3 GLY A 53 73.648 1.922 -1.463 1.00 0.00 H new ATOM 840 N LYS A 54 71.673 3.433 -0.998 1.00 0.00 N ATOM 841 CA LYS A 54 70.450 4.182 -0.678 1.00 0.00 C ATOM 842 C LYS A 54 69.219 3.358 -1.034 1.00 0.00 C ATOM 843 O LYS A 54 69.215 2.631 -2.028 1.00 0.00 O ATOM 844 CB LYS A 54 70.429 5.498 -1.466 1.00 0.00 C ATOM 845 CG LYS A 54 71.547 6.414 -0.957 1.00 0.00 C ATOM 846 CD LYS A 54 71.500 7.764 -1.686 1.00 0.00 C ATOM 847 CE LYS A 54 71.971 7.607 -3.139 1.00 0.00 C ATOM 848 NZ LYS A 54 72.259 8.952 -3.710 1.00 0.00 N ATOM 0 H LYS A 54 71.715 3.083 -1.955 1.00 0.00 H new ATOM 0 HA LYS A 54 70.438 4.395 0.391 1.00 0.00 H new ATOM 0 HB2 LYS A 54 70.562 5.300 -2.530 1.00 0.00 H new ATOM 0 HB3 LYS A 54 69.462 5.988 -1.351 1.00 0.00 H new ATOM 0 HG2 LYS A 54 71.440 6.568 0.117 1.00 0.00 H new ATOM 0 HG3 LYS A 54 72.516 5.940 -1.116 1.00 0.00 H new ATOM 0 HD2 LYS A 54 70.484 8.159 -1.667 1.00 0.00 H new ATOM 0 HD3 LYS A 54 72.132 8.486 -1.169 1.00 0.00 H new ATOM 0 HE2 LYS A 54 72.864 6.983 -3.179 1.00 0.00 H new ATOM 0 HE3 LYS A 54 71.205 7.105 -3.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 72.578 8.850 -4.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 71.396 9.532 -3.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 73.004 9.414 -3.151 1.00 0.00 H new ATOM 862 N ILE A 55 68.167 3.473 -0.219 1.00 0.00 N ATOM 863 CA ILE A 55 66.928 2.731 -0.462 1.00 0.00 C ATOM 864 C ILE A 55 65.882 3.690 -1.035 1.00 0.00 C ATOM 865 O ILE A 55 65.506 4.665 -0.384 1.00 0.00 O ATOM 866 CB ILE A 55 66.422 2.138 0.866 1.00 0.00 C ATOM 867 CG1 ILE A 55 67.610 1.624 1.696 1.00 0.00 C ATOM 868 CG2 ILE A 55 65.464 0.976 0.595 1.00 0.00 C ATOM 869 CD1 ILE A 55 68.471 0.644 0.887 1.00 0.00 C ATOM 0 H ILE A 55 68.148 4.068 0.609 1.00 0.00 H new ATOM 0 HA ILE A 55 67.108 1.922 -1.169 1.00 0.00 H new ATOM 0 HB ILE A 55 65.898 2.919 1.417 1.00 0.00 H new ATOM 0 HG12 ILE A 55 68.221 2.466 2.021 1.00 0.00 H new ATOM 0 HG13 ILE A 55 67.242 1.131 2.596 1.00 0.00 H new ATOM 0 HG21 ILE A 55 65.113 0.565 1.542 1.00 0.00 H new ATOM 0 HG22 ILE A 55 64.612 1.334 0.017 1.00 0.00 H new ATOM 0 HG23 ILE A 55 65.983 0.200 0.033 1.00 0.00 H new ATOM 0 HD11 ILE A 55 69.303 0.298 1.501 1.00 0.00 H new ATOM 0 HD12 ILE A 55 67.864 -0.209 0.584 1.00 0.00 H new ATOM 0 HD13 ILE A 55 68.858 1.146 0.001 1.00 0.00 H new ATOM 881 N VAL A 56 65.435 3.433 -2.266 1.00 0.00 N ATOM 882 CA VAL A 56 64.457 4.313 -2.919 1.00 0.00 C ATOM 883 C VAL A 56 63.015 3.869 -2.653 1.00 0.00 C ATOM 884 O VAL A 56 62.179 4.686 -2.269 1.00 0.00 O ATOM 885 CB VAL A 56 64.727 4.355 -4.439 1.00 0.00 C ATOM 886 CG1 VAL A 56 63.516 4.934 -5.186 1.00 0.00 C ATOM 887 CG2 VAL A 56 65.950 5.235 -4.720 1.00 0.00 C ATOM 0 H VAL A 56 65.729 2.633 -2.827 1.00 0.00 H new ATOM 0 HA VAL A 56 64.573 5.311 -2.495 1.00 0.00 H new ATOM 0 HB VAL A 56 64.909 3.338 -4.785 1.00 0.00 H new ATOM 0 HG11 VAL A 56 63.725 4.956 -6.256 1.00 0.00 H new ATOM 0 HG12 VAL A 56 62.641 4.311 -5.000 1.00 0.00 H new ATOM 0 HG13 VAL A 56 63.321 5.947 -4.834 1.00 0.00 H new ATOM 0 HG21 VAL A 56 66.139 5.263 -5.793 1.00 0.00 H new ATOM 0 HG22 VAL A 56 65.762 6.246 -4.358 1.00 0.00 H new ATOM 0 HG23 VAL A 56 66.820 4.823 -4.209 1.00 0.00 H new ATOM 897 N LYS A 57 62.713 2.591 -2.882 1.00 0.00 N ATOM 898 CA LYS A 57 61.344 2.105 -2.680 1.00 0.00 C ATOM 899 C LYS A 57 61.329 0.639 -2.273 1.00 0.00 C ATOM 900 O LYS A 57 62.276 -0.103 -2.534 1.00 0.00 O ATOM 901 CB LYS A 57 60.540 2.284 -3.971 1.00 0.00 C ATOM 902 CG LYS A 57 59.043 2.147 -3.674 1.00 0.00 C ATOM 903 CD LYS A 57 58.243 2.464 -4.938 1.00 0.00 C ATOM 904 CE LYS A 57 56.745 2.415 -4.623 1.00 0.00 C ATOM 905 NZ LYS A 57 56.348 1.011 -4.317 1.00 0.00 N ATOM 0 H LYS A 57 63.378 1.886 -3.200 1.00 0.00 H new ATOM 0 HA LYS A 57 60.894 2.686 -1.875 1.00 0.00 H new ATOM 0 HB2 LYS A 57 60.746 3.262 -4.406 1.00 0.00 H new ATOM 0 HB3 LYS A 57 60.844 1.538 -4.706 1.00 0.00 H new ATOM 0 HG2 LYS A 57 58.820 1.136 -3.333 1.00 0.00 H new ATOM 0 HG3 LYS A 57 58.757 2.825 -2.870 1.00 0.00 H new ATOM 0 HD2 LYS A 57 58.514 3.451 -5.314 1.00 0.00 H new ATOM 0 HD3 LYS A 57 58.484 1.747 -5.723 1.00 0.00 H new ATOM 0 HE2 LYS A 57 56.519 3.061 -3.775 1.00 0.00 H new ATOM 0 HE3 LYS A 57 56.172 2.790 -5.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 55.555 0.733 -4.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 57.155 0.377 -4.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 56.057 0.942 -3.321 1.00 0.00 H new ATOM 919 N ILE A 58 60.239 0.231 -1.622 1.00 0.00 N ATOM 920 CA ILE A 58 60.080 -1.145 -1.163 1.00 0.00 C ATOM 921 C ILE A 58 58.711 -1.690 -1.553 1.00 0.00 C ATOM 922 O ILE A 58 57.679 -1.084 -1.264 1.00 0.00 O ATOM 923 CB ILE A 58 60.249 -1.183 0.356 1.00 0.00 C ATOM 924 CG1 ILE A 58 60.089 -2.612 0.862 1.00 0.00 C ATOM 925 CG2 ILE A 58 59.190 -0.292 1.014 1.00 0.00 C ATOM 926 CD1 ILE A 58 60.443 -2.685 2.350 1.00 0.00 C ATOM 0 H ILE A 58 59.451 0.839 -1.401 1.00 0.00 H new ATOM 0 HA ILE A 58 60.837 -1.771 -1.635 1.00 0.00 H new ATOM 0 HB ILE A 58 61.244 -0.819 0.611 1.00 0.00 H new ATOM 0 HG12 ILE A 58 59.064 -2.948 0.707 1.00 0.00 H new ATOM 0 HG13 ILE A 58 60.734 -3.282 0.293 1.00 0.00 H new ATOM 0 HG21 ILE A 58 59.312 -0.321 2.097 1.00 0.00 H new ATOM 0 HG22 ILE A 58 59.307 0.733 0.662 1.00 0.00 H new ATOM 0 HG23 ILE A 58 58.196 -0.654 0.751 1.00 0.00 H new ATOM 0 HD11 ILE A 58 60.326 -3.710 2.702 1.00 0.00 H new ATOM 0 HD12 ILE A 58 61.476 -2.368 2.494 1.00 0.00 H new ATOM 0 HD13 ILE A 58 59.780 -2.029 2.914 1.00 0.00 H new ATOM 938 N LEU A 59 58.717 -2.842 -2.218 1.00 0.00 N ATOM 939 CA LEU A 59 57.481 -3.487 -2.661 1.00 0.00 C ATOM 940 C LEU A 59 57.045 -4.566 -1.673 1.00 0.00 C ATOM 941 O LEU A 59 55.903 -5.027 -1.713 1.00 0.00 O ATOM 942 CB LEU A 59 57.695 -4.123 -4.039 1.00 0.00 C ATOM 943 CG LEU A 59 57.981 -3.035 -5.086 1.00 0.00 C ATOM 944 CD1 LEU A 59 58.381 -3.704 -6.407 1.00 0.00 C ATOM 945 CD2 LEU A 59 56.730 -2.158 -5.306 1.00 0.00 C ATOM 0 H LEU A 59 59.566 -3.351 -2.463 1.00 0.00 H new ATOM 0 HA LEU A 59 56.701 -2.727 -2.718 1.00 0.00 H new ATOM 0 HB2 LEU A 59 58.527 -4.826 -3.998 1.00 0.00 H new ATOM 0 HB3 LEU A 59 56.811 -4.692 -4.327 1.00 0.00 H new ATOM 0 HG LEU A 59 58.792 -2.400 -4.730 1.00 0.00 H new ATOM 0 HD11 LEU A 59 58.586 -2.938 -7.155 1.00 0.00 H new ATOM 0 HD12 LEU A 59 59.275 -4.309 -6.253 1.00 0.00 H new ATOM 0 HD13 LEU A 59 57.567 -4.341 -6.753 1.00 0.00 H new ATOM 0 HD21 LEU A 59 56.949 -1.392 -6.050 1.00 0.00 H new ATOM 0 HD22 LEU A 59 55.907 -2.780 -5.657 1.00 0.00 H new ATOM 0 HD23 LEU A 59 56.450 -1.681 -4.367 1.00 0.00 H new ATOM 957 N TYR A 60 57.962 -4.982 -0.798 1.00 0.00 N ATOM 958 CA TYR A 60 57.662 -6.030 0.186 1.00 0.00 C ATOM 959 C TYR A 60 57.400 -5.448 1.570 1.00 0.00 C ATOM 960 O TYR A 60 58.136 -4.589 2.053 1.00 0.00 O ATOM 961 CB TYR A 60 58.828 -7.034 0.256 1.00 0.00 C ATOM 962 CG TYR A 60 58.731 -8.007 -0.911 1.00 0.00 C ATOM 963 CD1 TYR A 60 59.003 -7.569 -2.216 1.00 0.00 C ATOM 964 CD2 TYR A 60 58.359 -9.346 -0.688 1.00 0.00 C ATOM 965 CE1 TYR A 60 58.905 -8.462 -3.291 1.00 0.00 C ATOM 966 CE2 TYR A 60 58.263 -10.233 -1.765 1.00 0.00 C ATOM 967 CZ TYR A 60 58.536 -9.793 -3.064 1.00 0.00 C ATOM 968 OH TYR A 60 58.440 -10.671 -4.124 1.00 0.00 O ATOM 0 H TYR A 60 58.912 -4.614 -0.748 1.00 0.00 H new ATOM 0 HA TYR A 60 56.755 -6.540 -0.140 1.00 0.00 H new ATOM 0 HB2 TYR A 60 59.780 -6.505 0.224 1.00 0.00 H new ATOM 0 HB3 TYR A 60 58.798 -7.578 1.200 1.00 0.00 H new ATOM 0 HD1 TYR A 60 59.288 -6.542 -2.392 1.00 0.00 H new ATOM 0 HD2 TYR A 60 58.148 -9.688 0.314 1.00 0.00 H new ATOM 0 HE1 TYR A 60 59.114 -8.123 -4.295 1.00 0.00 H new ATOM 0 HE2 TYR A 60 57.977 -11.260 -1.593 1.00 0.00 H new ATOM 0 HH TYR A 60 58.942 -11.487 -3.919 1.00 0.00 H new ATOM 978 N ARG A 61 56.338 -5.946 2.207 1.00 0.00 N ATOM 979 CA ARG A 61 55.958 -5.502 3.549 1.00 0.00 C ATOM 980 C ARG A 61 56.008 -6.675 4.519 1.00 0.00 C ATOM 981 O ARG A 61 56.323 -7.801 4.136 1.00 0.00 O ATOM 982 CB ARG A 61 54.543 -4.915 3.535 1.00 0.00 C ATOM 983 CG ARG A 61 54.531 -3.622 2.718 1.00 0.00 C ATOM 984 CD ARG A 61 53.109 -3.061 2.678 1.00 0.00 C ATOM 985 NE ARG A 61 53.067 -1.843 1.877 1.00 0.00 N ATOM 986 CZ ARG A 61 51.926 -1.196 1.672 1.00 0.00 C ATOM 987 NH1 ARG A 61 50.820 -1.640 2.206 1.00 0.00 N ATOM 988 NH2 ARG A 61 51.907 -0.115 0.942 1.00 0.00 N ATOM 0 H ARG A 61 55.724 -6.659 1.813 1.00 0.00 H new ATOM 0 HA ARG A 61 56.661 -4.733 3.871 1.00 0.00 H new ATOM 0 HB2 ARG A 61 53.845 -5.634 3.107 1.00 0.00 H new ATOM 0 HB3 ARG A 61 54.211 -4.716 4.554 1.00 0.00 H new ATOM 0 HG2 ARG A 61 55.209 -2.893 3.161 1.00 0.00 H new ATOM 0 HG3 ARG A 61 54.887 -3.815 1.706 1.00 0.00 H new ATOM 0 HD2 ARG A 61 52.430 -3.803 2.259 1.00 0.00 H new ATOM 0 HD3 ARG A 61 52.765 -2.850 3.691 1.00 0.00 H new ATOM 0 HE ARG A 61 53.929 -1.482 1.467 1.00 0.00 H new ATOM 0 HH11 ARG A 61 50.833 -2.483 2.780 1.00 0.00 H new ATOM 0 HH12 ARG A 61 49.943 -1.144 2.049 1.00 0.00 H new ATOM 0 HH21 ARG A 61 52.770 0.235 0.527 1.00 0.00 H new ATOM 0 HH22 ARG A 61 51.029 0.380 0.786 1.00 0.00 H new ATOM 1002 N GLU A 62 55.704 -6.399 5.778 1.00 0.00 N ATOM 1003 CA GLU A 62 55.727 -7.429 6.811 1.00 0.00 C ATOM 1004 C GLU A 62 54.640 -8.482 6.587 1.00 0.00 C ATOM 1005 O GLU A 62 53.462 -8.152 6.457 1.00 0.00 O ATOM 1006 CB GLU A 62 55.504 -6.789 8.185 1.00 0.00 C ATOM 1007 CG GLU A 62 56.697 -5.900 8.545 1.00 0.00 C ATOM 1008 CD GLU A 62 56.453 -5.217 9.886 1.00 0.00 C ATOM 1009 OE1 GLU A 62 55.409 -5.458 10.472 1.00 0.00 O ATOM 1010 OE2 GLU A 62 57.311 -4.462 10.307 1.00 0.00 O ATOM 0 H GLU A 62 55.438 -5.472 6.111 1.00 0.00 H new ATOM 0 HA GLU A 62 56.701 -7.916 6.764 1.00 0.00 H new ATOM 0 HB2 GLU A 62 54.588 -6.198 8.176 1.00 0.00 H new ATOM 0 HB3 GLU A 62 55.376 -7.564 8.941 1.00 0.00 H new ATOM 0 HG2 GLU A 62 57.606 -6.499 8.593 1.00 0.00 H new ATOM 0 HG3 GLU A 62 56.850 -5.151 7.768 1.00 0.00 H new ATOM 1017 N GLY A 63 55.040 -9.756 6.588 1.00 0.00 N ATOM 1018 CA GLY A 63 54.078 -10.858 6.430 1.00 0.00 C ATOM 1019 C GLY A 63 53.783 -11.206 4.971 1.00 0.00 C ATOM 1020 O GLY A 63 52.913 -12.034 4.704 1.00 0.00 O ATOM 0 H GLY A 63 56.010 -10.051 6.695 1.00 0.00 H new ATOM 0 HA2 GLY A 63 54.465 -11.743 6.935 1.00 0.00 H new ATOM 0 HA3 GLY A 63 53.146 -10.590 6.927 1.00 0.00 H new ATOM 1024 N GLN A 64 54.487 -10.590 4.022 1.00 0.00 N ATOM 1025 CA GLN A 64 54.235 -10.889 2.607 1.00 0.00 C ATOM 1026 C GLN A 64 54.990 -12.134 2.149 1.00 0.00 C ATOM 1027 O GLN A 64 56.149 -12.345 2.506 1.00 0.00 O ATOM 1028 CB GLN A 64 54.613 -9.701 1.716 1.00 0.00 C ATOM 1029 CG GLN A 64 53.597 -8.571 1.903 1.00 0.00 C ATOM 1030 CD GLN A 64 53.858 -7.466 0.886 1.00 0.00 C ATOM 1031 OE1 GLN A 64 54.715 -7.617 0.018 1.00 0.00 O ATOM 1032 NE2 GLN A 64 53.159 -6.366 0.932 1.00 0.00 N ATOM 0 H GLN A 64 55.217 -9.899 4.196 1.00 0.00 H new ATOM 0 HA GLN A 64 53.166 -11.080 2.511 1.00 0.00 H new ATOM 0 HB2 GLN A 64 55.613 -9.349 1.968 1.00 0.00 H new ATOM 0 HB3 GLN A 64 54.638 -10.011 0.671 1.00 0.00 H new ATOM 0 HG2 GLN A 64 52.585 -8.957 1.782 1.00 0.00 H new ATOM 0 HG3 GLN A 64 53.667 -8.171 2.914 1.00 0.00 H new ATOM 0 HE21 GLN A 64 52.448 -6.243 1.653 1.00 0.00 H new ATOM 0 HE22 GLN A 64 53.323 -5.629 0.247 1.00 0.00 H new ATOM 1041 N VAL A 65 54.307 -12.944 1.340 1.00 0.00 N ATOM 1042 CA VAL A 65 54.876 -14.179 0.793 1.00 0.00 C ATOM 1043 C VAL A 65 54.747 -14.166 -0.725 1.00 0.00 C ATOM 1044 O VAL A 65 53.684 -13.855 -1.261 1.00 0.00 O ATOM 1045 CB VAL A 65 54.128 -15.386 1.371 1.00 0.00 C ATOM 1046 CG1 VAL A 65 52.676 -15.367 0.882 1.00 0.00 C ATOM 1047 CG2 VAL A 65 54.802 -16.692 0.926 1.00 0.00 C ATOM 0 H VAL A 65 53.347 -12.765 1.045 1.00 0.00 H new ATOM 0 HA VAL A 65 55.930 -14.249 1.063 1.00 0.00 H new ATOM 0 HB VAL A 65 54.151 -15.330 2.459 1.00 0.00 H new ATOM 0 HG11 VAL A 65 52.143 -16.225 1.292 1.00 0.00 H new ATOM 0 HG12 VAL A 65 52.193 -14.447 1.212 1.00 0.00 H new ATOM 0 HG13 VAL A 65 52.658 -15.415 -0.207 1.00 0.00 H new ATOM 0 HG21 VAL A 65 54.261 -17.541 1.343 1.00 0.00 H new ATOM 0 HG22 VAL A 65 54.792 -16.754 -0.162 1.00 0.00 H new ATOM 0 HG23 VAL A 65 55.833 -16.709 1.281 1.00 0.00 H new ATOM 1057 N VAL A 66 55.838 -14.496 -1.417 1.00 0.00 N ATOM 1058 CA VAL A 66 55.833 -14.503 -2.886 1.00 0.00 C ATOM 1059 C VAL A 66 56.783 -15.587 -3.438 1.00 0.00 C ATOM 1060 O VAL A 66 57.898 -15.727 -2.937 1.00 0.00 O ATOM 1061 CB VAL A 66 56.290 -13.133 -3.398 1.00 0.00 C ATOM 1062 CG1 VAL A 66 56.082 -13.050 -4.909 1.00 0.00 C ATOM 1063 CG2 VAL A 66 55.476 -12.030 -2.716 1.00 0.00 C ATOM 0 H VAL A 66 56.728 -14.759 -0.993 1.00 0.00 H new ATOM 0 HA VAL A 66 54.820 -14.720 -3.226 1.00 0.00 H new ATOM 0 HB VAL A 66 57.348 -13.002 -3.169 1.00 0.00 H new ATOM 0 HG11 VAL A 66 56.408 -12.074 -5.268 1.00 0.00 H new ATOM 0 HG12 VAL A 66 56.664 -13.830 -5.400 1.00 0.00 H new ATOM 0 HG13 VAL A 66 55.025 -13.186 -5.139 1.00 0.00 H new ATOM 0 HG21 VAL A 66 55.803 -11.057 -3.082 1.00 0.00 H new ATOM 0 HG22 VAL A 66 54.418 -12.166 -2.942 1.00 0.00 H new ATOM 0 HG23 VAL A 66 55.626 -12.081 -1.638 1.00 0.00 H new ATOM 1073 N PRO A 67 56.401 -16.340 -4.466 1.00 0.00 N ATOM 1074 CA PRO A 67 57.306 -17.385 -5.051 1.00 0.00 C ATOM 1075 C PRO A 67 58.661 -16.810 -5.485 1.00 0.00 C ATOM 1076 O PRO A 67 58.765 -15.641 -5.853 1.00 0.00 O ATOM 1077 CB PRO A 67 56.533 -17.928 -6.270 1.00 0.00 C ATOM 1078 CG PRO A 67 55.100 -17.568 -6.036 1.00 0.00 C ATOM 1079 CD PRO A 67 55.097 -16.308 -5.167 1.00 0.00 C ATOM 0 HA PRO A 67 57.543 -18.156 -4.318 1.00 0.00 H new ATOM 0 HB2 PRO A 67 56.901 -17.486 -7.196 1.00 0.00 H new ATOM 0 HB3 PRO A 67 56.655 -19.007 -6.362 1.00 0.00 H new ATOM 0 HG2 PRO A 67 54.588 -17.387 -6.981 1.00 0.00 H new ATOM 0 HG3 PRO A 67 54.573 -18.382 -5.538 1.00 0.00 H new ATOM 0 HD2 PRO A 67 54.994 -15.408 -5.773 1.00 0.00 H new ATOM 0 HD3 PRO A 67 54.266 -16.314 -4.461 1.00 0.00 H new ATOM 1087 N VAL A 68 59.689 -17.654 -5.431 1.00 0.00 N ATOM 1088 CA VAL A 68 61.044 -17.253 -5.811 1.00 0.00 C ATOM 1089 C VAL A 68 61.111 -16.848 -7.283 1.00 0.00 C ATOM 1090 O VAL A 68 60.652 -17.579 -8.161 1.00 0.00 O ATOM 1091 CB VAL A 68 62.003 -18.426 -5.564 1.00 0.00 C ATOM 1092 CG1 VAL A 68 61.507 -19.668 -6.313 1.00 0.00 C ATOM 1093 CG2 VAL A 68 63.406 -18.073 -6.070 1.00 0.00 C ATOM 0 H VAL A 68 59.610 -18.624 -5.127 1.00 0.00 H new ATOM 0 HA VAL A 68 61.331 -16.392 -5.207 1.00 0.00 H new ATOM 0 HB VAL A 68 62.039 -18.627 -4.493 1.00 0.00 H new ATOM 0 HG11 VAL A 68 62.191 -20.498 -6.135 1.00 0.00 H new ATOM 0 HG12 VAL A 68 60.512 -19.935 -5.956 1.00 0.00 H new ATOM 0 HG13 VAL A 68 61.465 -19.456 -7.381 1.00 0.00 H new ATOM 0 HG21 VAL A 68 64.079 -18.911 -5.890 1.00 0.00 H new ATOM 0 HG22 VAL A 68 63.365 -17.863 -7.139 1.00 0.00 H new ATOM 0 HG23 VAL A 68 63.773 -17.193 -5.541 1.00 0.00 H new ATOM 1103 N GLY A 69 61.709 -15.682 -7.543 1.00 0.00 N ATOM 1104 CA GLY A 69 61.864 -15.182 -8.918 1.00 0.00 C ATOM 1105 C GLY A 69 61.428 -13.723 -9.056 1.00 0.00 C ATOM 1106 O GLY A 69 60.685 -13.381 -9.977 1.00 0.00 O ATOM 0 H GLY A 69 62.093 -15.067 -6.826 1.00 0.00 H new ATOM 0 HA2 GLY A 69 62.906 -15.278 -9.222 1.00 0.00 H new ATOM 0 HA3 GLY A 69 61.276 -15.801 -9.596 1.00 0.00 H new ATOM 1110 N SER A 70 61.892 -12.856 -8.154 1.00 0.00 N ATOM 1111 CA SER A 70 61.530 -11.443 -8.229 1.00 0.00 C ATOM 1112 C SER A 70 62.472 -10.587 -7.386 1.00 0.00 C ATOM 1113 O SER A 70 63.168 -11.096 -6.508 1.00 0.00 O ATOM 1114 CB SER A 70 60.094 -11.247 -7.745 1.00 0.00 C ATOM 1115 OG SER A 70 59.949 -11.820 -6.453 1.00 0.00 O ATOM 0 H SER A 70 62.507 -13.102 -7.378 1.00 0.00 H new ATOM 0 HA SER A 70 61.615 -11.128 -9.269 1.00 0.00 H new ATOM 0 HB2 SER A 70 59.851 -10.185 -7.713 1.00 0.00 H new ATOM 0 HB3 SER A 70 59.397 -11.713 -8.442 1.00 0.00 H new ATOM 0 HG SER A 70 59.420 -11.220 -5.886 1.00 0.00 H new ATOM 1121 N THR A 71 62.470 -9.279 -7.647 1.00 0.00 N ATOM 1122 CA THR A 71 63.312 -8.348 -6.894 1.00 0.00 C ATOM 1123 C THR A 71 62.539 -7.833 -5.685 1.00 0.00 C ATOM 1124 O THR A 71 61.382 -7.425 -5.804 1.00 0.00 O ATOM 1125 CB THR A 71 63.742 -7.177 -7.788 1.00 0.00 C ATOM 1126 OG1 THR A 71 64.783 -6.456 -7.144 1.00 0.00 O ATOM 1127 CG2 THR A 71 62.555 -6.243 -8.044 1.00 0.00 C ATOM 0 H THR A 71 61.898 -8.842 -8.370 1.00 0.00 H new ATOM 0 HA THR A 71 64.208 -8.867 -6.554 1.00 0.00 H new ATOM 0 HB THR A 71 64.096 -7.566 -8.743 1.00 0.00 H new ATOM 0 HG1 THR A 71 65.062 -5.708 -7.712 1.00 0.00 H new ATOM 0 HG21 THR A 71 62.873 -5.416 -8.679 1.00 0.00 H new ATOM 0 HG22 THR A 71 61.757 -6.796 -8.540 1.00 0.00 H new ATOM 0 HG23 THR A 71 62.189 -5.851 -7.095 1.00 0.00 H new ATOM 1135 N LEU A 72 63.167 -7.886 -4.515 1.00 0.00 N ATOM 1136 CA LEU A 72 62.509 -7.453 -3.282 1.00 0.00 C ATOM 1137 C LEU A 72 62.720 -5.965 -3.005 1.00 0.00 C ATOM 1138 O LEU A 72 62.065 -5.398 -2.130 1.00 0.00 O ATOM 1139 CB LEU A 72 63.062 -8.259 -2.108 1.00 0.00 C ATOM 1140 CG LEU A 72 62.884 -9.761 -2.371 1.00 0.00 C ATOM 1141 CD1 LEU A 72 63.494 -10.550 -1.212 1.00 0.00 C ATOM 1142 CD2 LEU A 72 61.393 -10.103 -2.509 1.00 0.00 C ATOM 0 H LEU A 72 64.123 -8.221 -4.392 1.00 0.00 H new ATOM 0 HA LEU A 72 61.439 -7.622 -3.403 1.00 0.00 H new ATOM 0 HB2 LEU A 72 64.118 -8.029 -1.964 1.00 0.00 H new ATOM 0 HB3 LEU A 72 62.547 -7.979 -1.189 1.00 0.00 H new ATOM 0 HG LEU A 72 63.389 -10.026 -3.300 1.00 0.00 H new ATOM 0 HD11 LEU A 72 63.370 -11.618 -1.394 1.00 0.00 H new ATOM 0 HD12 LEU A 72 64.556 -10.316 -1.132 1.00 0.00 H new ATOM 0 HD13 LEU A 72 62.992 -10.279 -0.283 1.00 0.00 H new ATOM 0 HD21 LEU A 72 61.280 -11.171 -2.695 1.00 0.00 H new ATOM 0 HD22 LEU A 72 60.872 -9.838 -1.589 1.00 0.00 H new ATOM 0 HD23 LEU A 72 60.967 -9.543 -3.341 1.00 0.00 H new ATOM 1154 N LEU A 73 63.639 -5.334 -3.728 1.00 0.00 N ATOM 1155 CA LEU A 73 63.910 -3.913 -3.507 1.00 0.00 C ATOM 1156 C LEU A 73 64.807 -3.372 -4.623 1.00 0.00 C ATOM 1157 O LEU A 73 65.681 -4.084 -5.121 1.00 0.00 O ATOM 1158 CB LEU A 73 64.603 -3.751 -2.127 1.00 0.00 C ATOM 1159 CG LEU A 73 64.328 -2.368 -1.481 1.00 0.00 C ATOM 1160 CD1 LEU A 73 64.470 -2.486 0.044 1.00 0.00 C ATOM 1161 CD2 LEU A 73 65.341 -1.327 -1.982 1.00 0.00 C ATOM 0 H LEU A 73 64.200 -5.771 -4.459 1.00 0.00 H new ATOM 0 HA LEU A 73 62.978 -3.348 -3.516 1.00 0.00 H new ATOM 0 HB2 LEU A 73 64.256 -4.537 -1.456 1.00 0.00 H new ATOM 0 HB3 LEU A 73 65.678 -3.885 -2.246 1.00 0.00 H new ATOM 0 HG LEU A 73 63.321 -2.052 -1.752 1.00 0.00 H new ATOM 0 HD11 LEU A 73 64.278 -1.516 0.503 1.00 0.00 H new ATOM 0 HD12 LEU A 73 63.752 -3.215 0.421 1.00 0.00 H new ATOM 0 HD13 LEU A 73 65.481 -2.811 0.291 1.00 0.00 H new ATOM 0 HD21 LEU A 73 65.132 -0.363 -1.518 1.00 0.00 H new ATOM 0 HD22 LEU A 73 66.350 -1.645 -1.719 1.00 0.00 H new ATOM 0 HD23 LEU A 73 65.261 -1.233 -3.065 1.00 0.00 H new ATOM 1173 N GLN A 74 64.618 -2.103 -4.990 1.00 0.00 N ATOM 1174 CA GLN A 74 65.450 -1.476 -6.020 1.00 0.00 C ATOM 1175 C GLN A 74 66.470 -0.573 -5.330 1.00 0.00 C ATOM 1176 O GLN A 74 66.108 0.315 -4.559 1.00 0.00 O ATOM 1177 CB GLN A 74 64.579 -0.651 -6.980 1.00 0.00 C ATOM 1178 CG GLN A 74 65.284 -0.507 -8.334 1.00 0.00 C ATOM 1179 CD GLN A 74 66.628 0.190 -8.147 1.00 0.00 C ATOM 1180 OE1 GLN A 74 66.687 1.283 -7.584 1.00 0.00 O ATOM 1181 NE2 GLN A 74 67.715 -0.381 -8.587 1.00 0.00 N ATOM 0 H GLN A 74 63.903 -1.493 -4.594 1.00 0.00 H new ATOM 0 HA GLN A 74 65.962 -2.243 -6.601 1.00 0.00 H new ATOM 0 HB2 GLN A 74 63.612 -1.135 -7.114 1.00 0.00 H new ATOM 0 HB3 GLN A 74 64.386 0.334 -6.554 1.00 0.00 H new ATOM 0 HG2 GLN A 74 65.433 -1.489 -8.783 1.00 0.00 H new ATOM 0 HG3 GLN A 74 64.660 0.066 -9.020 1.00 0.00 H new ATOM 0 HE21 GLN A 74 67.662 -1.287 -9.053 1.00 0.00 H new ATOM 0 HE22 GLN A 74 68.618 0.078 -8.465 1.00 0.00 H new ATOM 1190 N ILE A 75 67.751 -0.839 -5.583 1.00 0.00 N ATOM 1191 CA ILE A 75 68.837 -0.078 -4.952 1.00 0.00 C ATOM 1192 C ILE A 75 69.776 0.514 -5.991 1.00 0.00 C ATOM 1193 O ILE A 75 70.283 -0.188 -6.865 1.00 0.00 O ATOM 1194 CB ILE A 75 69.620 -1.019 -4.026 1.00 0.00 C ATOM 1195 CG1 ILE A 75 68.721 -1.482 -2.876 1.00 0.00 C ATOM 1196 CG2 ILE A 75 70.844 -0.315 -3.439 1.00 0.00 C ATOM 1197 CD1 ILE A 75 69.376 -2.666 -2.163 1.00 0.00 C ATOM 0 H ILE A 75 68.065 -1.573 -6.218 1.00 0.00 H new ATOM 0 HA ILE A 75 68.405 0.747 -4.385 1.00 0.00 H new ATOM 0 HB ILE A 75 69.949 -1.875 -4.616 1.00 0.00 H new ATOM 0 HG12 ILE A 75 68.560 -0.664 -2.174 1.00 0.00 H new ATOM 0 HG13 ILE A 75 67.742 -1.770 -3.259 1.00 0.00 H new ATOM 0 HG21 ILE A 75 71.381 -1.003 -2.787 1.00 0.00 H new ATOM 0 HG22 ILE A 75 71.501 0.007 -4.247 1.00 0.00 H new ATOM 0 HG23 ILE A 75 70.523 0.554 -2.864 1.00 0.00 H new ATOM 0 HD11 ILE A 75 68.737 -2.996 -1.344 1.00 0.00 H new ATOM 0 HD12 ILE A 75 69.514 -3.485 -2.869 1.00 0.00 H new ATOM 0 HD13 ILE A 75 70.345 -2.362 -1.767 1.00 0.00 H new ATOM 1209 N ASP A 76 70.019 1.814 -5.866 1.00 0.00 N ATOM 1210 CA ASP A 76 70.923 2.520 -6.781 1.00 0.00 C ATOM 1211 C ASP A 76 72.304 2.669 -6.148 1.00 0.00 C ATOM 1212 O ASP A 76 72.474 3.410 -5.180 1.00 0.00 O ATOM 1213 CB ASP A 76 70.369 3.906 -7.112 1.00 0.00 C ATOM 1214 CG ASP A 76 71.274 4.598 -8.125 1.00 0.00 C ATOM 1215 OD1 ASP A 76 72.329 4.057 -8.414 1.00 0.00 O ATOM 1216 OD2 ASP A 76 70.900 5.658 -8.599 1.00 0.00 O ATOM 0 H ASP A 76 69.606 2.404 -5.143 1.00 0.00 H new ATOM 0 HA ASP A 76 71.005 1.936 -7.698 1.00 0.00 H new ATOM 0 HB2 ASP A 76 69.360 3.817 -7.514 1.00 0.00 H new ATOM 0 HB3 ASP A 76 70.299 4.506 -6.204 1.00 0.00 H new ATOM 1221 N THR A 77 73.285 1.964 -6.699 1.00 0.00 N ATOM 1222 CA THR A 77 74.645 2.028 -6.176 1.00 0.00 C ATOM 1223 C THR A 77 75.116 3.476 -6.084 1.00 0.00 C ATOM 1224 O THR A 77 75.967 3.750 -5.255 1.00 0.00 O ATOM 1225 CB THR A 77 75.591 1.238 -7.083 1.00 0.00 C ATOM 1226 OG1 THR A 77 76.936 1.546 -6.745 1.00 0.00 O ATOM 1227 CG2 THR A 77 75.330 1.611 -8.543 1.00 0.00 C ATOM 1228 OXT THR A 77 74.621 4.291 -6.846 1.00 0.00 O ATOM 0 H THR A 77 73.166 1.346 -7.502 1.00 0.00 H new ATOM 0 HA THR A 77 74.651 1.592 -5.177 1.00 0.00 H new ATOM 0 HB THR A 77 75.418 0.170 -6.947 1.00 0.00 H new ATOM 0 HG1 THR A 77 77.543 1.040 -7.324 1.00 0.00 H new ATOM 0 HG21 THR A 77 76.004 1.048 -9.188 1.00 0.00 H new ATOM 0 HG22 THR A 77 74.298 1.373 -8.800 1.00 0.00 H new ATOM 0 HG23 THR A 77 75.502 2.678 -8.682 1.00 0.00 H new