USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 523 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -168:sc= -0.0109 (180deg=-0.305) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -42:sc= 0.893 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.0802 X(o=-0.08,f=-0.55) USER MOD Single : A 25 LYS NZ :NH3+ -171:sc=-0.00879 (180deg=-0.124) USER MOD Single : A 28 SER OG : rot 68:sc= 0.186 USER MOD Single : A 31 MET CE :methyl 179:sc= -5.18! (180deg=-5.28!) USER MOD Single : A 35 SER OG : rot 180:sc= -0.119 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -0.167 X(o=-0.17,f=-0.15) USER MOD Single : A 50 HIS : no HD1:sc= -0.199 K(o=-0.2,f=-0.82) USER MOD Single : A 53 THR OG1 : rot -63:sc= 0.0284 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.928 13.238 -4.598 1.00 3.33 N ATOM 2 CA MET A 1 -1.685 14.036 -4.435 1.00 2.78 C ATOM 3 C MET A 1 -0.635 13.249 -3.658 1.00 2.08 C ATOM 4 O MET A 1 0.454 12.979 -4.166 1.00 2.36 O ATOM 5 CB MET A 1 -1.989 15.347 -3.708 1.00 2.93 C ATOM 6 CG MET A 1 -3.074 16.176 -4.378 1.00 3.53 C ATOM 7 SD MET A 1 -2.645 16.650 -6.065 1.00 4.37 S ATOM 8 CE MET A 1 -4.119 17.544 -6.550 1.00 5.17 C ATOM 0 H1 MET A 1 -3.548 13.700 -5.294 1.00 3.33 H new ATOM 0 H2 MET A 1 -2.686 12.283 -4.930 1.00 3.33 H new ATOM 0 H3 MET A 1 -3.421 13.172 -3.684 1.00 3.33 H new ATOM 0 HA MET A 1 -1.292 14.258 -5.427 1.00 2.78 H new ATOM 0 HB2 MET A 1 -2.293 15.124 -2.685 1.00 2.93 H new ATOM 0 HB3 MET A 1 -1.076 15.939 -3.647 1.00 2.93 H new ATOM 0 HG2 MET A 1 -4.004 15.608 -4.390 1.00 3.53 H new ATOM 0 HG3 MET A 1 -3.256 17.074 -3.788 1.00 3.53 H new ATOM 0 HE1 MET A 1 -4.007 17.902 -7.573 1.00 5.17 H new ATOM 0 HE2 MET A 1 -4.983 16.882 -6.490 1.00 5.17 H new ATOM 0 HE3 MET A 1 -4.266 18.393 -5.883 1.00 5.17 H new ATOM 18 N GLN A 2 -0.970 12.885 -2.425 1.00 1.56 N ATOM 19 CA GLN A 2 -0.057 12.127 -1.579 1.00 0.99 C ATOM 20 C GLN A 2 -0.786 10.991 -0.871 1.00 0.83 C ATOM 21 O GLN A 2 -1.975 10.766 -1.097 1.00 1.25 O ATOM 22 CB GLN A 2 0.600 13.047 -0.547 1.00 1.05 C ATOM 23 CG GLN A 2 -0.386 13.707 0.395 1.00 1.64 C ATOM 24 CD GLN A 2 0.272 14.722 1.310 1.00 2.33 C ATOM 25 OE1 GLN A 2 0.726 14.385 2.405 1.00 2.91 O ATOM 26 NE2 GLN A 2 0.327 15.971 0.865 1.00 2.94 N ATOM 0 H GLN A 2 -1.866 13.103 -1.990 1.00 1.56 H new ATOM 0 HA GLN A 2 0.715 11.697 -2.217 1.00 0.99 H new ATOM 0 HB2 GLN A 2 1.317 12.470 0.037 1.00 1.05 H new ATOM 0 HB3 GLN A 2 1.164 13.820 -1.069 1.00 1.05 H new ATOM 0 HG2 GLN A 2 -1.165 14.199 -0.187 1.00 1.64 H new ATOM 0 HG3 GLN A 2 -0.874 12.942 0.999 1.00 1.64 H new ATOM 0 HE21 GLN A 2 -0.062 16.205 -0.049 1.00 2.94 H new ATOM 0 HE22 GLN A 2 0.758 16.697 1.436 1.00 2.94 H new ATOM 33 N PHE A 3 -0.064 10.275 -0.015 1.00 0.64 N ATOM 34 CA PHE A 3 -0.639 9.161 0.729 1.00 0.59 C ATOM 35 C PHE A 3 -1.001 9.587 2.149 1.00 0.50 C ATOM 36 O PHE A 3 -0.127 9.757 2.999 1.00 0.55 O ATOM 37 CB PHE A 3 0.346 7.991 0.770 1.00 0.80 C ATOM 38 CG PHE A 3 0.746 7.493 -0.590 1.00 0.75 C ATOM 39 CD1 PHE A 3 1.842 8.033 -1.245 1.00 0.80 C ATOM 40 CD2 PHE A 3 0.026 6.486 -1.214 1.00 1.47 C ATOM 41 CE1 PHE A 3 2.211 7.576 -2.496 1.00 1.39 C ATOM 42 CE2 PHE A 3 0.391 6.027 -2.466 1.00 2.25 C ATOM 43 CZ PHE A 3 1.485 6.573 -3.108 1.00 2.18 C ATOM 0 H PHE A 3 0.922 10.447 0.181 1.00 0.64 H new ATOM 0 HA PHE A 3 -1.550 8.844 0.221 1.00 0.59 H new ATOM 0 HB2 PHE A 3 1.240 8.299 1.312 1.00 0.80 H new ATOM 0 HB3 PHE A 3 -0.101 7.170 1.331 1.00 0.80 H new ATOM 0 HD1 PHE A 3 2.413 8.819 -0.773 1.00 0.80 H new ATOM 0 HD2 PHE A 3 -0.830 6.055 -0.716 1.00 1.47 H new ATOM 0 HE1 PHE A 3 3.068 8.004 -2.995 1.00 1.39 H new ATOM 0 HE2 PHE A 3 -0.179 5.242 -2.941 1.00 2.25 H new ATOM 0 HZ PHE A 3 1.772 6.217 -4.086 1.00 2.18 H new ATOM 52 N THR A 4 -2.295 9.762 2.397 1.00 0.53 N ATOM 53 CA THR A 4 -2.770 10.166 3.715 1.00 0.49 C ATOM 54 C THR A 4 -3.556 9.044 4.385 1.00 0.45 C ATOM 55 O THR A 4 -4.115 8.179 3.712 1.00 0.45 O ATOM 56 CB THR A 4 -3.655 11.423 3.635 1.00 0.57 C ATOM 57 OG1 THR A 4 -4.735 11.205 2.717 1.00 0.61 O ATOM 58 CG2 THR A 4 -2.840 12.627 3.193 1.00 0.66 C ATOM 0 H THR A 4 -3.032 9.631 1.704 1.00 0.53 H new ATOM 0 HA THR A 4 -1.887 10.393 4.312 1.00 0.49 H new ATOM 0 HB THR A 4 -4.059 11.622 4.627 1.00 0.57 H new ATOM 0 HG1 THR A 4 -5.294 12.009 2.673 1.00 0.61 H new ATOM 0 HG21 THR A 4 -3.485 13.504 3.143 1.00 0.66 H new ATOM 0 HG22 THR A 4 -2.038 12.806 3.909 1.00 0.66 H new ATOM 0 HG23 THR A 4 -2.412 12.435 2.209 1.00 0.66 H new ATOM 66 N PRO A 5 -3.606 9.046 5.728 1.00 0.47 N ATOM 67 CA PRO A 5 -4.327 8.024 6.491 1.00 0.51 C ATOM 68 C PRO A 5 -5.838 8.206 6.420 1.00 0.51 C ATOM 69 O PRO A 5 -6.441 8.814 7.305 1.00 0.65 O ATOM 70 CB PRO A 5 -3.828 8.240 7.918 1.00 0.62 C ATOM 71 CG PRO A 5 -3.483 9.687 7.977 1.00 0.58 C ATOM 72 CD PRO A 5 -2.968 10.044 6.609 1.00 0.53 C ATOM 0 HA PRO A 5 -4.146 7.020 6.107 1.00 0.51 H new ATOM 0 HB2 PRO A 5 -4.595 7.985 8.650 1.00 0.62 H new ATOM 0 HB3 PRO A 5 -2.961 7.616 8.134 1.00 0.62 H new ATOM 0 HG2 PRO A 5 -4.356 10.287 8.234 1.00 0.58 H new ATOM 0 HG3 PRO A 5 -2.729 9.878 8.740 1.00 0.58 H new ATOM 0 HD2 PRO A 5 -3.244 11.061 6.329 1.00 0.53 H new ATOM 0 HD3 PRO A 5 -1.881 9.984 6.561 1.00 0.53 H new ATOM 77 N ASP A 6 -6.444 7.681 5.359 1.00 0.74 N ATOM 78 CA ASP A 6 -7.887 7.789 5.168 1.00 0.84 C ATOM 79 C ASP A 6 -8.308 7.150 3.848 1.00 0.71 C ATOM 80 O ASP A 6 -9.302 6.427 3.786 1.00 0.67 O ATOM 81 CB ASP A 6 -8.319 9.257 5.198 1.00 1.07 C ATOM 82 CG ASP A 6 -9.807 9.428 4.963 1.00 2.06 C ATOM 83 OD1 ASP A 6 -10.573 9.367 5.947 1.00 2.69 O ATOM 84 OD2 ASP A 6 -10.205 9.623 3.796 1.00 2.51 O ATOM 0 H ASP A 6 -5.958 7.176 4.618 1.00 0.74 H new ATOM 0 HA ASP A 6 -8.378 7.257 5.983 1.00 0.84 H new ATOM 0 HB2 ASP A 6 -8.054 9.691 6.162 1.00 1.07 H new ATOM 0 HB3 ASP A 6 -7.768 9.810 4.437 1.00 1.07 H new ATOM 88 N SER A 7 -7.546 7.425 2.793 1.00 0.77 N ATOM 89 CA SER A 7 -7.838 6.878 1.473 1.00 0.72 C ATOM 90 C SER A 7 -7.143 5.534 1.278 1.00 0.54 C ATOM 91 O SER A 7 -6.072 5.292 1.833 1.00 0.67 O ATOM 92 CB SER A 7 -7.395 7.857 0.383 1.00 0.96 C ATOM 93 OG SER A 7 -8.090 9.087 0.488 1.00 1.89 O ATOM 0 H SER A 7 -6.721 8.024 2.827 1.00 0.77 H new ATOM 0 HA SER A 7 -8.915 6.726 1.399 1.00 0.72 H new ATOM 0 HB2 SER A 7 -6.322 8.034 0.463 1.00 0.96 H new ATOM 0 HB3 SER A 7 -7.573 7.418 -0.599 1.00 0.96 H new ATOM 0 HG SER A 7 -7.787 9.695 -0.218 1.00 1.89 H new ATOM 98 N ALA A 8 -7.761 4.662 0.485 1.00 0.47 N ATOM 99 CA ALA A 8 -7.198 3.344 0.218 1.00 0.35 C ATOM 100 C ALA A 8 -6.363 3.350 -1.056 1.00 0.31 C ATOM 101 O ALA A 8 -6.663 4.072 -2.005 1.00 0.38 O ATOM 102 CB ALA A 8 -8.307 2.306 0.120 1.00 0.44 C ATOM 0 H ALA A 8 -8.649 4.845 0.018 1.00 0.47 H new ATOM 0 HA ALA A 8 -6.542 3.082 1.048 1.00 0.35 H new ATOM 0 HB1 ALA A 8 -7.872 1.327 -0.080 1.00 0.44 H new ATOM 0 HB2 ALA A 8 -8.859 2.273 1.059 1.00 0.44 H new ATOM 0 HB3 ALA A 8 -8.985 2.574 -0.690 1.00 0.44 H new ATOM 108 N TRP A 9 -5.311 2.538 -1.069 1.00 0.30 N ATOM 109 CA TRP A 9 -4.427 2.446 -2.225 1.00 0.30 C ATOM 110 C TRP A 9 -4.141 0.989 -2.569 1.00 0.32 C ATOM 111 O TRP A 9 -4.542 0.080 -1.841 1.00 0.39 O ATOM 112 CB TRP A 9 -3.116 3.183 -1.950 1.00 0.34 C ATOM 113 CG TRP A 9 -3.312 4.589 -1.471 1.00 0.35 C ATOM 114 CD1 TRP A 9 -3.636 4.986 -0.206 1.00 0.40 C ATOM 115 CD2 TRP A 9 -3.196 5.785 -2.250 1.00 0.42 C ATOM 116 NE1 TRP A 9 -3.730 6.356 -0.150 1.00 0.41 N ATOM 117 CE2 TRP A 9 -3.464 6.868 -1.392 1.00 0.42 C ATOM 118 CE3 TRP A 9 -2.891 6.046 -3.589 1.00 0.56 C ATOM 119 CZ2 TRP A 9 -3.434 8.191 -1.830 1.00 0.52 C ATOM 120 CZ3 TRP A 9 -2.865 7.358 -4.023 1.00 0.69 C ATOM 121 CH2 TRP A 9 -3.133 8.416 -3.146 1.00 0.66 C ATOM 0 H TRP A 9 -5.050 1.933 -0.290 1.00 0.30 H new ATOM 0 HA TRP A 9 -4.926 2.913 -3.074 1.00 0.30 H new ATOM 0 HB2 TRP A 9 -2.546 2.629 -1.204 1.00 0.34 H new ATOM 0 HB3 TRP A 9 -2.518 3.198 -2.861 1.00 0.34 H new ATOM 0 HD1 TRP A 9 -3.795 4.320 0.629 1.00 0.40 H new ATOM 0 HE1 TRP A 9 -3.960 6.902 0.680 1.00 0.41 H new ATOM 0 HE3 TRP A 9 -2.679 5.237 -4.272 1.00 0.56 H new ATOM 0 HZ2 TRP A 9 -3.641 9.009 -1.155 1.00 0.52 H new ATOM 0 HZ3 TRP A 9 -2.634 7.571 -5.056 1.00 0.69 H new ATOM 0 HH2 TRP A 9 -3.102 9.430 -3.516 1.00 0.66 H new ATOM 131 N LYS A 10 -3.445 0.771 -3.679 1.00 0.34 N ATOM 132 CA LYS A 10 -3.107 -0.581 -4.108 1.00 0.37 C ATOM 133 C LYS A 10 -1.598 -0.753 -4.242 1.00 0.34 C ATOM 134 O LYS A 10 -0.904 0.129 -4.749 1.00 0.34 O ATOM 135 CB LYS A 10 -3.789 -0.910 -5.437 1.00 0.43 C ATOM 136 CG LYS A 10 -5.306 -0.875 -5.366 1.00 1.01 C ATOM 137 CD LYS A 10 -5.937 -1.499 -6.600 1.00 1.03 C ATOM 138 CE LYS A 10 -5.559 -2.966 -6.738 1.00 1.28 C ATOM 139 NZ LYS A 10 -6.317 -3.637 -7.829 1.00 2.04 N ATOM 0 H LYS A 10 -3.105 1.509 -4.296 1.00 0.34 H new ATOM 0 HA LYS A 10 -3.466 -1.271 -3.345 1.00 0.37 H new ATOM 0 HB2 LYS A 10 -3.452 -0.202 -6.194 1.00 0.43 H new ATOM 0 HB3 LYS A 10 -3.471 -1.900 -5.764 1.00 0.43 H new ATOM 0 HG2 LYS A 10 -5.642 -1.407 -4.476 1.00 1.01 H new ATOM 0 HG3 LYS A 10 -5.643 0.157 -5.266 1.00 1.01 H new ATOM 0 HD2 LYS A 10 -7.021 -1.405 -6.542 1.00 1.03 H new ATOM 0 HD3 LYS A 10 -5.617 -0.955 -7.488 1.00 1.03 H new ATOM 0 HE2 LYS A 10 -4.490 -3.048 -6.936 1.00 1.28 H new ATOM 0 HE3 LYS A 10 -5.749 -3.480 -5.796 1.00 1.28 H new ATOM 0 HZ1 LYS A 10 -6.029 -4.635 -7.889 1.00 2.04 H new ATOM 0 HZ2 LYS A 10 -7.336 -3.582 -7.628 1.00 2.04 H new ATOM 0 HZ3 LYS A 10 -6.116 -3.164 -8.733 1.00 2.04 H new ATOM 149 N ILE A 11 -1.097 -1.894 -3.785 1.00 0.36 N ATOM 150 CA ILE A 11 0.330 -2.186 -3.854 1.00 0.36 C ATOM 151 C ILE A 11 0.739 -2.597 -5.262 1.00 0.32 C ATOM 152 O ILE A 11 0.028 -3.344 -5.934 1.00 0.38 O ATOM 153 CB ILE A 11 0.722 -3.306 -2.870 1.00 0.41 C ATOM 154 CG1 ILE A 11 0.338 -2.916 -1.444 1.00 0.48 C ATOM 155 CG2 ILE A 11 2.213 -3.602 -2.962 1.00 0.43 C ATOM 156 CD1 ILE A 11 0.731 -3.946 -0.411 1.00 0.56 C ATOM 0 H ILE A 11 -1.658 -2.633 -3.362 1.00 0.36 H new ATOM 0 HA ILE A 11 0.854 -1.271 -3.579 1.00 0.36 H new ATOM 0 HB ILE A 11 0.178 -4.211 -3.140 1.00 0.41 H new ATOM 0 HG12 ILE A 11 0.811 -1.966 -1.196 1.00 0.48 H new ATOM 0 HG13 ILE A 11 -0.739 -2.758 -1.397 1.00 0.48 H new ATOM 0 HG21 ILE A 11 2.470 -4.395 -2.260 1.00 0.43 H new ATOM 0 HG22 ILE A 11 2.459 -3.920 -3.975 1.00 0.43 H new ATOM 0 HG23 ILE A 11 2.778 -2.703 -2.717 1.00 0.43 H new ATOM 0 HD11 ILE A 11 0.428 -3.603 0.578 1.00 0.56 H new ATOM 0 HD12 ILE A 11 0.238 -4.892 -0.634 1.00 0.56 H new ATOM 0 HD13 ILE A 11 1.812 -4.087 -0.431 1.00 0.56 H new ATOM 167 N THR A 12 1.891 -2.102 -5.700 1.00 0.28 N ATOM 168 CA THR A 12 2.409 -2.416 -7.025 1.00 0.27 C ATOM 169 C THR A 12 3.928 -2.570 -6.981 1.00 0.27 C ATOM 170 O THR A 12 4.651 -1.970 -7.773 1.00 0.30 O ATOM 171 CB THR A 12 2.031 -1.325 -8.044 1.00 0.30 C ATOM 172 OG1 THR A 12 0.631 -1.029 -7.946 1.00 0.91 O ATOM 173 CG2 THR A 12 2.355 -1.769 -9.464 1.00 0.97 C ATOM 0 H THR A 12 2.486 -1.479 -5.154 1.00 0.28 H new ATOM 0 HA THR A 12 1.959 -3.357 -7.341 1.00 0.27 H new ATOM 0 HB THR A 12 2.613 -0.432 -7.816 1.00 0.30 H new ATOM 0 HG1 THR A 12 0.397 -0.333 -8.596 1.00 0.91 H new ATOM 0 HG21 THR A 12 2.078 -0.980 -10.164 1.00 0.97 H new ATOM 0 HG22 THR A 12 3.423 -1.970 -9.548 1.00 0.97 H new ATOM 0 HG23 THR A 12 1.796 -2.675 -9.699 1.00 0.97 H new ATOM 181 N GLY A 13 4.399 -3.382 -6.042 1.00 0.29 N ATOM 182 CA GLY A 13 5.826 -3.607 -5.896 1.00 0.33 C ATOM 183 C GLY A 13 6.503 -3.966 -7.203 1.00 0.37 C ATOM 184 O GLY A 13 6.583 -5.139 -7.566 1.00 0.45 O ATOM 0 H GLY A 13 3.817 -3.890 -5.377 1.00 0.29 H new ATOM 0 HA2 GLY A 13 6.290 -2.710 -5.487 1.00 0.33 H new ATOM 0 HA3 GLY A 13 5.991 -4.408 -5.175 1.00 0.33 H new ATOM 188 N PHE A 14 6.990 -2.954 -7.911 1.00 0.34 N ATOM 189 CA PHE A 14 7.670 -3.165 -9.183 1.00 0.41 C ATOM 190 C PHE A 14 8.766 -2.125 -9.387 1.00 0.39 C ATOM 191 O PHE A 14 8.494 -0.994 -9.788 1.00 0.43 O ATOM 192 CB PHE A 14 6.669 -3.103 -10.338 1.00 0.50 C ATOM 193 CG PHE A 14 7.270 -3.430 -11.675 1.00 0.60 C ATOM 194 CD1 PHE A 14 7.907 -2.451 -12.421 1.00 0.69 C ATOM 195 CD2 PHE A 14 7.201 -4.717 -12.186 1.00 0.70 C ATOM 196 CE1 PHE A 14 8.462 -2.749 -13.651 1.00 0.79 C ATOM 197 CE2 PHE A 14 7.753 -5.021 -13.415 1.00 0.81 C ATOM 198 CZ PHE A 14 8.383 -4.039 -14.149 1.00 0.81 C ATOM 0 H PHE A 14 6.926 -1.977 -7.625 1.00 0.34 H new ATOM 0 HA PHE A 14 8.128 -4.154 -9.164 1.00 0.41 H new ATOM 0 HB2 PHE A 14 5.852 -3.796 -10.137 1.00 0.50 H new ATOM 0 HB3 PHE A 14 6.236 -2.104 -10.379 1.00 0.50 H new ATOM 0 HD1 PHE A 14 7.970 -1.444 -12.037 1.00 0.69 H new ATOM 0 HD2 PHE A 14 6.709 -5.491 -11.616 1.00 0.70 H new ATOM 0 HE1 PHE A 14 8.956 -1.978 -14.223 1.00 0.79 H new ATOM 0 HE2 PHE A 14 7.691 -6.028 -13.801 1.00 0.81 H new ATOM 0 HZ PHE A 14 8.814 -4.275 -15.111 1.00 0.81 H new ATOM 207 N SER A 15 10.006 -2.510 -9.104 1.00 0.40 N ATOM 208 CA SER A 15 11.137 -1.602 -9.252 1.00 0.41 C ATOM 209 C SER A 15 11.911 -1.895 -10.531 1.00 0.43 C ATOM 210 O SER A 15 11.490 -2.709 -11.354 1.00 0.48 O ATOM 211 CB SER A 15 12.069 -1.711 -8.044 1.00 0.39 C ATOM 212 OG SER A 15 11.360 -1.508 -6.834 1.00 0.76 O ATOM 0 H SER A 15 10.253 -3.442 -8.772 1.00 0.40 H new ATOM 0 HA SER A 15 10.746 -0.586 -9.311 1.00 0.41 H new ATOM 0 HB2 SER A 15 12.541 -2.693 -8.032 1.00 0.39 H new ATOM 0 HB3 SER A 15 12.868 -0.974 -8.129 1.00 0.39 H new ATOM 0 HG SER A 15 10.736 -0.760 -6.942 1.00 0.76 H new ATOM 217 N ARG A 16 13.048 -1.228 -10.691 1.00 0.57 N ATOM 218 CA ARG A 16 13.885 -1.411 -11.870 1.00 0.61 C ATOM 219 C ARG A 16 14.693 -2.700 -11.769 1.00 0.59 C ATOM 220 O ARG A 16 15.014 -3.325 -12.779 1.00 0.63 O ATOM 221 CB ARG A 16 14.826 -0.217 -12.045 1.00 0.69 C ATOM 222 CG ARG A 16 14.111 1.086 -12.375 1.00 1.14 C ATOM 223 CD ARG A 16 13.143 1.492 -11.274 1.00 1.37 C ATOM 224 NE ARG A 16 12.668 2.864 -11.437 1.00 2.19 N ATOM 225 CZ ARG A 16 11.897 3.484 -10.548 1.00 2.67 C ATOM 226 NH1 ARG A 16 11.522 2.858 -9.442 1.00 2.41 N ATOM 227 NH2 ARG A 16 11.500 4.732 -10.765 1.00 3.58 N ATOM 0 H ARG A 16 13.412 -0.554 -10.017 1.00 0.57 H new ATOM 0 HA ARG A 16 13.232 -1.480 -12.740 1.00 0.61 H new ATOM 0 HB2 ARG A 16 15.402 -0.083 -11.129 1.00 0.69 H new ATOM 0 HB3 ARG A 16 15.538 -0.441 -12.839 1.00 0.69 H new ATOM 0 HG2 ARG A 16 14.846 1.877 -12.523 1.00 1.14 H new ATOM 0 HG3 ARG A 16 13.568 0.976 -13.314 1.00 1.14 H new ATOM 0 HD2 ARG A 16 12.291 0.812 -11.272 1.00 1.37 H new ATOM 0 HD3 ARG A 16 13.633 1.391 -10.306 1.00 1.37 H new ATOM 0 HE ARG A 16 12.942 3.373 -12.277 1.00 2.19 H new ATOM 0 HH11 ARG A 16 11.825 1.899 -9.271 1.00 2.41 H new ATOM 0 HH12 ARG A 16 10.931 3.335 -8.761 1.00 2.41 H new ATOM 0 HH21 ARG A 16 11.786 5.218 -11.615 1.00 3.58 H new ATOM 0 HH22 ARG A 16 10.909 5.205 -10.082 1.00 3.58 H new ATOM 238 N ASP A 17 15.017 -3.094 -10.541 1.00 0.58 N ATOM 239 CA ASP A 17 15.788 -4.309 -10.310 1.00 0.63 C ATOM 240 C ASP A 17 15.617 -4.800 -8.876 1.00 0.57 C ATOM 241 O ASP A 17 16.574 -5.252 -8.247 1.00 0.62 O ATOM 242 CB ASP A 17 17.269 -4.059 -10.603 1.00 0.77 C ATOM 243 CG ASP A 17 18.109 -5.310 -10.443 1.00 1.61 C ATOM 244 OD1 ASP A 17 18.163 -6.114 -11.397 1.00 2.48 O ATOM 245 OD2 ASP A 17 18.714 -5.487 -9.363 1.00 1.86 O ATOM 0 H ASP A 17 14.758 -2.590 -9.693 1.00 0.58 H new ATOM 0 HA ASP A 17 15.415 -5.080 -10.984 1.00 0.63 H new ATOM 0 HB2 ASP A 17 17.377 -3.680 -11.619 1.00 0.77 H new ATOM 0 HB3 ASP A 17 17.643 -3.285 -9.933 1.00 0.77 H new ATOM 249 N ILE A 18 14.392 -4.714 -8.365 1.00 0.51 N ATOM 250 CA ILE A 18 14.096 -5.148 -7.004 1.00 0.50 C ATOM 251 C ILE A 18 14.715 -6.514 -6.707 1.00 0.50 C ATOM 252 O ILE A 18 14.565 -7.458 -7.483 1.00 0.57 O ATOM 253 CB ILE A 18 12.575 -5.219 -6.755 1.00 0.48 C ATOM 254 CG1 ILE A 18 12.290 -5.668 -5.320 1.00 0.52 C ATOM 255 CG2 ILE A 18 11.917 -6.161 -7.752 1.00 0.47 C ATOM 256 CD1 ILE A 18 10.814 -5.749 -4.995 1.00 0.56 C ATOM 0 H ILE A 18 13.588 -4.347 -8.874 1.00 0.51 H new ATOM 0 HA ILE A 18 14.533 -4.406 -6.336 1.00 0.50 H new ATOM 0 HB ILE A 18 12.153 -4.224 -6.894 1.00 0.48 H new ATOM 0 HG12 ILE A 18 12.744 -6.645 -5.156 1.00 0.52 H new ATOM 0 HG13 ILE A 18 12.769 -4.974 -4.629 1.00 0.52 H new ATOM 0 HG21 ILE A 18 10.844 -6.200 -7.563 1.00 0.47 H new ATOM 0 HG22 ILE A 18 12.094 -5.800 -8.765 1.00 0.47 H new ATOM 0 HG23 ILE A 18 12.341 -7.159 -7.644 1.00 0.47 H new ATOM 0 HD11 ILE A 18 10.686 -6.073 -3.962 1.00 0.56 H new ATOM 0 HD12 ILE A 18 10.358 -4.768 -5.126 1.00 0.56 H new ATOM 0 HD13 ILE A 18 10.333 -6.465 -5.662 1.00 0.56 H new ATOM 267 N SER A 19 15.412 -6.607 -5.579 1.00 0.57 N ATOM 268 CA SER A 19 16.056 -7.853 -5.172 1.00 0.59 C ATOM 269 C SER A 19 15.050 -8.799 -4.522 1.00 0.52 C ATOM 270 O SER A 19 14.018 -8.360 -4.010 1.00 0.50 O ATOM 271 CB SER A 19 17.201 -7.560 -4.200 1.00 0.70 C ATOM 272 OG SER A 19 18.188 -6.742 -4.806 1.00 1.50 O ATOM 0 H SER A 19 15.546 -5.833 -4.928 1.00 0.57 H new ATOM 0 HA SER A 19 16.457 -8.337 -6.063 1.00 0.59 H new ATOM 0 HB2 SER A 19 16.810 -7.065 -3.311 1.00 0.70 H new ATOM 0 HB3 SER A 19 17.652 -8.496 -3.871 1.00 0.70 H new ATOM 0 HG SER A 19 18.908 -6.568 -4.164 1.00 1.50 H new ATOM 277 N PRO A 20 15.337 -10.113 -4.530 1.00 0.54 N ATOM 278 CA PRO A 20 14.449 -11.117 -3.937 1.00 0.51 C ATOM 279 C PRO A 20 14.197 -10.859 -2.457 1.00 0.53 C ATOM 280 O PRO A 20 13.118 -11.149 -1.944 1.00 0.51 O ATOM 281 CB PRO A 20 15.201 -12.439 -4.127 1.00 0.55 C ATOM 282 CG PRO A 20 16.609 -12.051 -4.416 1.00 0.61 C ATOM 283 CD PRO A 20 16.539 -10.724 -5.115 1.00 0.61 C ATOM 0 HA PRO A 20 13.465 -11.108 -4.405 1.00 0.51 H new ATOM 0 HB2 PRO A 20 15.139 -13.059 -3.233 1.00 0.55 H new ATOM 0 HB3 PRO A 20 14.777 -13.019 -4.947 1.00 0.55 H new ATOM 0 HG2 PRO A 20 17.190 -11.977 -3.496 1.00 0.61 H new ATOM 0 HG3 PRO A 20 17.098 -12.797 -5.043 1.00 0.61 H new ATOM 0 HD2 PRO A 20 17.429 -10.122 -4.931 1.00 0.61 H new ATOM 0 HD3 PRO A 20 16.450 -10.840 -6.195 1.00 0.61 H new ATOM 288 N ALA A 21 15.198 -10.317 -1.769 1.00 0.58 N ATOM 289 CA ALA A 21 15.064 -10.016 -0.349 1.00 0.64 C ATOM 290 C ALA A 21 13.795 -9.210 -0.096 1.00 0.62 C ATOM 291 O ALA A 21 13.055 -9.470 0.853 1.00 0.65 O ATOM 292 CB ALA A 21 16.285 -9.263 0.153 1.00 0.71 C ATOM 0 H ALA A 21 16.105 -10.079 -2.170 1.00 0.58 H new ATOM 0 HA ALA A 21 14.992 -10.955 0.200 1.00 0.64 H new ATOM 0 HB1 ALA A 21 16.168 -9.047 1.215 1.00 0.71 H new ATOM 0 HB2 ALA A 21 17.176 -9.873 0.003 1.00 0.71 H new ATOM 0 HB3 ALA A 21 16.388 -8.329 -0.399 1.00 0.71 H new ATOM 298 N TYR A 22 13.555 -8.226 -0.958 1.00 0.60 N ATOM 299 CA TYR A 22 12.372 -7.383 -0.849 1.00 0.61 C ATOM 300 C TYR A 22 11.186 -8.033 -1.553 1.00 0.54 C ATOM 301 O TYR A 22 10.071 -8.045 -1.031 1.00 0.57 O ATOM 302 CB TYR A 22 12.643 -6.005 -1.458 1.00 0.66 C ATOM 303 CG TYR A 22 13.726 -5.227 -0.745 1.00 0.90 C ATOM 304 CD1 TYR A 22 15.069 -5.497 -0.980 1.00 1.28 C ATOM 305 CD2 TYR A 22 13.407 -4.225 0.162 1.00 0.99 C ATOM 306 CE1 TYR A 22 16.062 -4.790 -0.330 1.00 1.72 C ATOM 307 CE2 TYR A 22 14.394 -3.514 0.815 1.00 1.34 C ATOM 308 CZ TYR A 22 15.718 -3.795 0.565 1.00 1.72 C ATOM 309 OH TYR A 22 16.704 -3.090 1.214 1.00 2.17 O ATOM 0 H TYR A 22 14.166 -7.994 -1.741 1.00 0.60 H new ATOM 0 HA TYR A 22 12.133 -7.264 0.208 1.00 0.61 H new ATOM 0 HB2 TYR A 22 12.925 -6.129 -2.503 1.00 0.66 H new ATOM 0 HB3 TYR A 22 11.721 -5.424 -1.444 1.00 0.66 H new ATOM 0 HD1 TYR A 22 15.341 -6.272 -1.682 1.00 1.28 H new ATOM 0 HD2 TYR A 22 12.370 -3.998 0.360 1.00 0.99 H new ATOM 0 HE1 TYR A 22 17.101 -5.014 -0.520 1.00 1.72 H new ATOM 0 HE2 TYR A 22 14.128 -2.740 1.520 1.00 1.34 H new ATOM 0 HH TYR A 22 16.295 -2.426 1.808 1.00 2.17 H new ATOM 318 N ARG A 23 11.437 -8.576 -2.740 1.00 0.48 N ATOM 319 CA ARG A 23 10.391 -9.228 -3.522 1.00 0.44 C ATOM 320 C ARG A 23 9.830 -10.439 -2.784 1.00 0.45 C ATOM 321 O ARG A 23 8.645 -10.482 -2.457 1.00 0.45 O ATOM 322 CB ARG A 23 10.941 -9.655 -4.884 1.00 0.45 C ATOM 323 CG ARG A 23 9.918 -10.358 -5.760 1.00 0.54 C ATOM 324 CD ARG A 23 8.769 -9.432 -6.122 1.00 0.53 C ATOM 325 NE ARG A 23 7.765 -10.101 -6.943 1.00 0.70 N ATOM 326 CZ ARG A 23 6.853 -9.453 -7.662 1.00 1.08 C ATOM 327 NH1 ARG A 23 6.830 -8.127 -7.666 1.00 1.57 N ATOM 328 NH2 ARG A 23 5.966 -10.130 -8.378 1.00 1.47 N ATOM 0 H ARG A 23 12.356 -8.578 -3.182 1.00 0.48 H new ATOM 0 HA ARG A 23 9.582 -8.512 -3.670 1.00 0.44 H new ATOM 0 HB2 ARG A 23 11.312 -8.775 -5.409 1.00 0.45 H new ATOM 0 HB3 ARG A 23 11.793 -10.318 -4.731 1.00 0.45 H new ATOM 0 HG2 ARG A 23 10.400 -10.715 -6.670 1.00 0.54 H new ATOM 0 HG3 ARG A 23 9.531 -11.234 -5.239 1.00 0.54 H new ATOM 0 HD2 ARG A 23 8.302 -9.060 -5.210 1.00 0.53 H new ATOM 0 HD3 ARG A 23 9.157 -8.566 -6.658 1.00 0.53 H new ATOM 0 HE ARG A 23 7.763 -11.121 -6.967 1.00 0.70 H new ATOM 0 HH11 ARG A 23 7.512 -7.603 -7.117 1.00 1.57 H new ATOM 0 HH12 ARG A 23 6.130 -7.631 -8.218 1.00 1.57 H new ATOM 0 HH21 ARG A 23 5.982 -11.150 -8.378 1.00 1.47 H new ATOM 0 HH22 ARG A 23 5.267 -9.631 -8.929 1.00 1.47 H new ATOM 339 N GLN A 24 10.687 -11.423 -2.522 1.00 0.49 N ATOM 340 CA GLN A 24 10.267 -12.630 -1.819 1.00 0.55 C ATOM 341 C GLN A 24 9.553 -12.279 -0.517 1.00 0.58 C ATOM 342 O GLN A 24 8.651 -12.995 -0.081 1.00 0.66 O ATOM 343 CB GLN A 24 11.471 -13.527 -1.527 1.00 0.69 C ATOM 344 CG GLN A 24 12.190 -14.010 -2.775 1.00 1.52 C ATOM 345 CD GLN A 24 13.298 -14.998 -2.464 1.00 2.03 C ATOM 346 OE1 GLN A 24 13.914 -14.944 -1.400 1.00 2.61 O ATOM 347 NE2 GLN A 24 13.556 -15.909 -3.396 1.00 2.69 N ATOM 0 H GLN A 24 11.672 -11.408 -2.785 1.00 0.49 H new ATOM 0 HA GLN A 24 9.572 -13.169 -2.463 1.00 0.55 H new ATOM 0 HB2 GLN A 24 12.176 -12.981 -0.901 1.00 0.69 H new ATOM 0 HB3 GLN A 24 11.138 -14.392 -0.953 1.00 0.69 H new ATOM 0 HG2 GLN A 24 11.470 -14.477 -3.447 1.00 1.52 H new ATOM 0 HG3 GLN A 24 12.610 -13.153 -3.303 1.00 1.52 H new ATOM 0 HE21 GLN A 24 13.020 -15.917 -4.264 1.00 2.69 H new ATOM 0 HE22 GLN A 24 14.290 -16.601 -3.244 1.00 2.69 H new ATOM 354 N LYS A 25 9.965 -11.176 0.100 1.00 0.59 N ATOM 355 CA LYS A 25 9.367 -10.729 1.350 1.00 0.68 C ATOM 356 C LYS A 25 7.847 -10.670 1.239 1.00 0.61 C ATOM 357 O LYS A 25 7.131 -11.042 2.168 1.00 0.71 O ATOM 358 CB LYS A 25 9.913 -9.354 1.731 1.00 0.79 C ATOM 359 CG LYS A 25 9.668 -8.984 3.182 1.00 0.99 C ATOM 360 CD LYS A 25 10.148 -7.575 3.486 1.00 1.43 C ATOM 361 CE LYS A 25 11.625 -7.408 3.163 1.00 2.05 C ATOM 362 NZ LYS A 25 12.476 -8.342 3.952 1.00 2.59 N ATOM 0 H LYS A 25 10.712 -10.575 -0.247 1.00 0.59 H new ATOM 0 HA LYS A 25 9.627 -11.448 2.126 1.00 0.68 H new ATOM 0 HB2 LYS A 25 10.985 -9.331 1.535 1.00 0.79 H new ATOM 0 HB3 LYS A 25 9.455 -8.600 1.090 1.00 0.79 H new ATOM 0 HG2 LYS A 25 8.604 -9.063 3.404 1.00 0.99 H new ATOM 0 HG3 LYS A 25 10.182 -9.693 3.831 1.00 0.99 H new ATOM 0 HD2 LYS A 25 9.565 -6.858 2.908 1.00 1.43 H new ATOM 0 HD3 LYS A 25 9.977 -7.350 4.539 1.00 1.43 H new ATOM 0 HE2 LYS A 25 11.786 -7.582 2.099 1.00 2.05 H new ATOM 0 HE3 LYS A 25 11.927 -6.381 3.368 1.00 2.05 H new ATOM 0 HZ1 LYS A 25 13.478 -8.096 3.819 1.00 2.59 H new ATOM 0 HZ2 LYS A 25 12.232 -8.266 4.960 1.00 2.59 H new ATOM 0 HZ3 LYS A 25 12.313 -9.317 3.629 1.00 2.59 H new ATOM 372 N LEU A 26 7.363 -10.194 0.098 1.00 0.55 N ATOM 373 CA LEU A 26 5.927 -10.084 -0.138 1.00 0.57 C ATOM 374 C LEU A 26 5.354 -11.405 -0.644 1.00 0.60 C ATOM 375 O LEU A 26 4.250 -11.796 -0.269 1.00 0.68 O ATOM 376 CB LEU A 26 5.635 -8.966 -1.143 1.00 0.55 C ATOM 377 CG LEU A 26 5.854 -7.544 -0.619 1.00 0.69 C ATOM 378 CD1 LEU A 26 4.948 -7.266 0.571 1.00 1.30 C ATOM 379 CD2 LEU A 26 7.311 -7.330 -0.240 1.00 1.29 C ATOM 0 H LEU A 26 7.943 -9.878 -0.679 1.00 0.55 H new ATOM 0 HA LEU A 26 5.447 -9.842 0.810 1.00 0.57 H new ATOM 0 HB2 LEU A 26 6.265 -9.114 -2.020 1.00 0.55 H new ATOM 0 HB3 LEU A 26 4.601 -9.058 -1.475 1.00 0.55 H new ATOM 0 HG LEU A 26 5.600 -6.845 -1.416 1.00 0.69 H new ATOM 0 HD11 LEU A 26 5.119 -6.251 0.929 1.00 1.30 H new ATOM 0 HD12 LEU A 26 3.906 -7.374 0.268 1.00 1.30 H new ATOM 0 HD13 LEU A 26 5.169 -7.974 1.370 1.00 1.30 H new ATOM 0 HD21 LEU A 26 7.445 -6.313 0.130 1.00 1.29 H new ATOM 0 HD22 LEU A 26 7.593 -8.039 0.538 1.00 1.29 H new ATOM 0 HD23 LEU A 26 7.941 -7.483 -1.116 1.00 1.29 H new ATOM 390 N LEU A 27 6.111 -12.087 -1.499 1.00 0.59 N ATOM 391 CA LEU A 27 5.676 -13.361 -2.054 1.00 0.71 C ATOM 392 C LEU A 27 5.223 -14.312 -0.950 1.00 0.82 C ATOM 393 O LEU A 27 4.309 -15.114 -1.143 1.00 0.95 O ATOM 394 CB LEU A 27 6.803 -14.001 -2.868 1.00 0.75 C ATOM 395 CG LEU A 27 7.279 -13.184 -4.071 1.00 0.71 C ATOM 396 CD1 LEU A 27 8.342 -13.945 -4.850 1.00 0.82 C ATOM 397 CD2 LEU A 27 6.104 -12.830 -4.971 1.00 0.77 C ATOM 0 H LEU A 27 7.028 -11.777 -1.821 1.00 0.59 H new ATOM 0 HA LEU A 27 4.828 -13.170 -2.712 1.00 0.71 H new ATOM 0 HB2 LEU A 27 7.653 -14.176 -2.208 1.00 0.75 H new ATOM 0 HB3 LEU A 27 6.467 -14.976 -3.221 1.00 0.75 H new ATOM 0 HG LEU A 27 7.723 -12.258 -3.705 1.00 0.71 H new ATOM 0 HD11 LEU A 27 8.667 -13.347 -5.701 1.00 0.82 H new ATOM 0 HD12 LEU A 27 9.194 -14.146 -4.201 1.00 0.82 H new ATOM 0 HD13 LEU A 27 7.927 -14.888 -5.206 1.00 0.82 H new ATOM 0 HD21 LEU A 27 6.460 -12.249 -5.822 1.00 0.77 H new ATOM 0 HD22 LEU A 27 5.631 -13.745 -5.328 1.00 0.77 H new ATOM 0 HD23 LEU A 27 5.379 -12.242 -4.408 1.00 0.77 H new ATOM 408 N SER A 28 5.867 -14.214 0.207 1.00 0.84 N ATOM 409 CA SER A 28 5.531 -15.065 1.344 1.00 0.98 C ATOM 410 C SER A 28 4.102 -14.805 1.814 1.00 0.89 C ATOM 411 O SER A 28 3.312 -15.734 1.977 1.00 0.99 O ATOM 412 CB SER A 28 6.510 -14.827 2.494 1.00 1.15 C ATOM 413 OG SER A 28 7.842 -15.106 2.097 1.00 1.64 O ATOM 0 H SER A 28 6.625 -13.554 0.383 1.00 0.84 H new ATOM 0 HA SER A 28 5.606 -16.104 1.023 1.00 0.98 H new ATOM 0 HB2 SER A 28 6.437 -13.793 2.830 1.00 1.15 H new ATOM 0 HB3 SER A 28 6.240 -15.457 3.341 1.00 1.15 H new ATOM 0 HG SER A 28 8.133 -14.442 1.437 1.00 1.64 H new ATOM 418 N LEU A 29 3.778 -13.534 2.032 1.00 0.78 N ATOM 419 CA LEU A 29 2.446 -13.149 2.484 1.00 0.78 C ATOM 420 C LEU A 29 1.426 -13.277 1.355 1.00 0.74 C ATOM 421 O LEU A 29 0.228 -13.430 1.602 1.00 0.82 O ATOM 422 CB LEU A 29 2.463 -11.713 3.011 1.00 0.86 C ATOM 423 CG LEU A 29 3.373 -11.480 4.216 1.00 1.06 C ATOM 424 CD1 LEU A 29 3.404 -10.003 4.584 1.00 1.64 C ATOM 425 CD2 LEU A 29 2.909 -12.316 5.400 1.00 1.42 C ATOM 0 H LEU A 29 4.421 -12.753 1.903 1.00 0.78 H new ATOM 0 HA LEU A 29 2.153 -13.824 3.289 1.00 0.78 H new ATOM 0 HB2 LEU A 29 2.775 -11.049 2.205 1.00 0.86 H new ATOM 0 HB3 LEU A 29 1.446 -11.429 3.282 1.00 0.86 H new ATOM 0 HG LEU A 29 4.384 -11.788 3.951 1.00 1.06 H new ATOM 0 HD11 LEU A 29 4.057 -9.856 5.444 1.00 1.64 H new ATOM 0 HD12 LEU A 29 3.781 -9.426 3.740 1.00 1.64 H new ATOM 0 HD13 LEU A 29 2.397 -9.669 4.832 1.00 1.64 H new ATOM 0 HD21 LEU A 29 3.567 -12.139 6.251 1.00 1.42 H new ATOM 0 HD22 LEU A 29 1.890 -12.036 5.666 1.00 1.42 H new ATOM 0 HD23 LEU A 29 2.937 -13.372 5.133 1.00 1.42 H new ATOM 436 N GLY A 30 1.906 -13.215 0.118 1.00 0.68 N ATOM 437 CA GLY A 30 1.021 -13.320 -1.028 1.00 0.73 C ATOM 438 C GLY A 30 0.652 -11.966 -1.604 1.00 0.71 C ATOM 439 O GLY A 30 -0.333 -11.843 -2.332 1.00 0.82 O ATOM 0 H GLY A 30 2.892 -13.094 -0.112 1.00 0.68 H new ATOM 0 HA2 GLY A 30 1.502 -13.921 -1.800 1.00 0.73 H new ATOM 0 HA3 GLY A 30 0.113 -13.846 -0.734 1.00 0.73 H new ATOM 443 N MET A 31 1.444 -10.948 -1.279 1.00 0.63 N ATOM 444 CA MET A 31 1.195 -9.599 -1.763 1.00 0.66 C ATOM 445 C MET A 31 1.937 -9.344 -3.072 1.00 0.56 C ATOM 446 O MET A 31 3.111 -8.979 -3.071 1.00 0.54 O ATOM 447 CB MET A 31 1.627 -8.579 -0.709 1.00 0.74 C ATOM 448 CG MET A 31 0.934 -8.768 0.632 1.00 0.94 C ATOM 449 SD MET A 31 1.700 -7.810 1.953 1.00 1.95 S ATOM 450 CE MET A 31 1.589 -6.156 1.280 1.00 2.55 C ATOM 0 H MET A 31 2.265 -11.035 -0.681 1.00 0.63 H new ATOM 0 HA MET A 31 0.126 -9.493 -1.950 1.00 0.66 H new ATOM 0 HB2 MET A 31 2.705 -8.650 -0.566 1.00 0.74 H new ATOM 0 HB3 MET A 31 1.420 -7.575 -1.079 1.00 0.74 H new ATOM 0 HG2 MET A 31 -0.113 -8.479 0.539 1.00 0.94 H new ATOM 0 HG3 MET A 31 0.950 -9.825 0.899 1.00 0.94 H new ATOM 0 HE1 MET A 31 2.007 -5.445 1.992 1.00 2.55 H new ATOM 0 HE2 MET A 31 2.148 -6.105 0.346 1.00 2.55 H new ATOM 0 HE3 MET A 31 0.544 -5.909 1.092 1.00 2.55 H new ATOM 458 N LEU A 32 1.243 -9.547 -4.187 1.00 0.56 N ATOM 459 CA LEU A 32 1.835 -9.340 -5.505 1.00 0.49 C ATOM 460 C LEU A 32 1.357 -8.025 -6.115 1.00 0.44 C ATOM 461 O LEU A 32 0.327 -7.484 -5.711 1.00 0.45 O ATOM 462 CB LEU A 32 1.487 -10.507 -6.433 1.00 0.52 C ATOM 463 CG LEU A 32 2.116 -11.851 -6.053 1.00 0.59 C ATOM 464 CD1 LEU A 32 1.607 -12.318 -4.699 1.00 0.69 C ATOM 465 CD2 LEU A 32 1.829 -12.894 -7.122 1.00 0.66 C ATOM 0 H LEU A 32 0.271 -9.854 -4.205 1.00 0.56 H new ATOM 0 HA LEU A 32 2.918 -9.291 -5.387 1.00 0.49 H new ATOM 0 HB2 LEU A 32 0.403 -10.624 -6.453 1.00 0.52 H new ATOM 0 HB3 LEU A 32 1.799 -10.251 -7.445 1.00 0.52 H new ATOM 0 HG LEU A 32 3.196 -11.717 -5.983 1.00 0.59 H new ATOM 0 HD11 LEU A 32 2.066 -13.274 -4.448 1.00 0.69 H new ATOM 0 HD12 LEU A 32 1.866 -11.581 -3.939 1.00 0.69 H new ATOM 0 HD13 LEU A 32 0.524 -12.434 -4.738 1.00 0.69 H new ATOM 0 HD21 LEU A 32 2.283 -13.843 -6.836 1.00 0.66 H new ATOM 0 HD22 LEU A 32 0.752 -13.024 -7.224 1.00 0.66 H new ATOM 0 HD23 LEU A 32 2.246 -12.564 -8.073 1.00 0.66 H new ATOM 476 N PRO A 33 2.102 -7.492 -7.099 1.00 0.41 N ATOM 477 CA PRO A 33 1.750 -6.236 -7.761 1.00 0.40 C ATOM 478 C PRO A 33 0.274 -6.173 -8.137 1.00 0.38 C ATOM 479 O PRO A 33 -0.189 -6.907 -9.010 1.00 0.51 O ATOM 480 CB PRO A 33 2.625 -6.245 -9.014 1.00 0.43 C ATOM 481 CG PRO A 33 3.825 -7.037 -8.621 1.00 0.45 C ATOM 482 CD PRO A 33 3.341 -8.079 -7.646 1.00 0.43 C ATOM 0 HA PRO A 33 1.913 -5.372 -7.117 1.00 0.40 H new ATOM 0 HB2 PRO A 33 2.107 -6.701 -9.858 1.00 0.43 H new ATOM 0 HB3 PRO A 33 2.897 -5.234 -9.316 1.00 0.43 H new ATOM 0 HG2 PRO A 33 4.286 -7.503 -9.492 1.00 0.45 H new ATOM 0 HG3 PRO A 33 4.581 -6.398 -8.164 1.00 0.45 H new ATOM 0 HD2 PRO A 33 3.150 -9.032 -8.139 1.00 0.43 H new ATOM 0 HD3 PRO A 33 4.075 -8.267 -6.863 1.00 0.43 H new ATOM 487 N GLY A 34 -0.459 -5.289 -7.469 1.00 0.34 N ATOM 488 CA GLY A 34 -1.876 -5.144 -7.735 1.00 0.33 C ATOM 489 C GLY A 34 -2.727 -5.515 -6.537 1.00 0.31 C ATOM 490 O GLY A 34 -3.887 -5.901 -6.684 1.00 0.40 O ATOM 0 H GLY A 34 -0.094 -4.669 -6.746 1.00 0.34 H new ATOM 0 HA2 GLY A 34 -2.086 -4.114 -8.022 1.00 0.33 H new ATOM 0 HA3 GLY A 34 -2.151 -5.773 -8.582 1.00 0.33 H new ATOM 494 N SER A 35 -2.148 -5.394 -5.346 1.00 0.28 N ATOM 495 CA SER A 35 -2.857 -5.721 -4.113 1.00 0.28 C ATOM 496 C SER A 35 -3.512 -4.478 -3.522 1.00 0.28 C ATOM 497 O SER A 35 -3.170 -3.354 -3.886 1.00 0.37 O ATOM 498 CB SER A 35 -1.897 -6.341 -3.095 1.00 0.31 C ATOM 499 OG SER A 35 -2.567 -6.647 -1.884 1.00 0.62 O ATOM 0 H SER A 35 -1.190 -5.072 -5.209 1.00 0.28 H new ATOM 0 HA SER A 35 -3.637 -6.445 -4.350 1.00 0.28 H new ATOM 0 HB2 SER A 35 -1.457 -7.248 -3.510 1.00 0.31 H new ATOM 0 HB3 SER A 35 -1.077 -5.651 -2.896 1.00 0.31 H new ATOM 0 HG SER A 35 -1.933 -7.043 -1.251 1.00 0.62 H new ATOM 504 N SER A 36 -4.455 -4.685 -2.607 1.00 0.25 N ATOM 505 CA SER A 36 -5.157 -3.576 -1.969 1.00 0.25 C ATOM 506 C SER A 36 -4.771 -3.461 -0.498 1.00 0.23 C ATOM 507 O SER A 36 -4.577 -4.468 0.183 1.00 0.28 O ATOM 508 CB SER A 36 -6.670 -3.760 -2.099 1.00 0.30 C ATOM 509 OG SER A 36 -7.062 -3.806 -3.459 1.00 1.30 O ATOM 0 H SER A 36 -4.750 -5.609 -2.291 1.00 0.25 H new ATOM 0 HA SER A 36 -4.865 -2.656 -2.475 1.00 0.25 H new ATOM 0 HB2 SER A 36 -6.972 -4.680 -1.599 1.00 0.30 H new ATOM 0 HB3 SER A 36 -7.184 -2.940 -1.597 1.00 0.30 H new ATOM 0 HG SER A 36 -8.033 -3.926 -3.516 1.00 1.30 H new ATOM 514 N PHE A 37 -4.663 -2.226 -0.013 1.00 0.22 N ATOM 515 CA PHE A 37 -4.300 -1.981 1.378 1.00 0.23 C ATOM 516 C PHE A 37 -4.820 -0.624 1.844 1.00 0.23 C ATOM 517 O PHE A 37 -5.165 0.232 1.029 1.00 0.33 O ATOM 518 CB PHE A 37 -2.781 -2.044 1.551 1.00 0.25 C ATOM 519 CG PHE A 37 -2.055 -0.886 0.927 1.00 0.26 C ATOM 520 CD1 PHE A 37 -1.868 -0.825 -0.445 1.00 0.32 C ATOM 521 CD2 PHE A 37 -1.561 0.143 1.713 1.00 0.27 C ATOM 522 CE1 PHE A 37 -1.199 0.238 -1.021 1.00 0.36 C ATOM 523 CE2 PHE A 37 -0.893 1.209 1.143 1.00 0.30 C ATOM 524 CZ PHE A 37 -0.711 1.258 -0.225 1.00 0.33 C ATOM 0 H PHE A 37 -4.822 -1.382 -0.563 1.00 0.22 H new ATOM 0 HA PHE A 37 -4.760 -2.757 1.989 1.00 0.23 H new ATOM 0 HB2 PHE A 37 -2.546 -2.078 2.615 1.00 0.25 H new ATOM 0 HB3 PHE A 37 -2.412 -2.972 1.113 1.00 0.25 H new ATOM 0 HD1 PHE A 37 -2.250 -1.618 -1.071 1.00 0.32 H new ATOM 0 HD2 PHE A 37 -1.700 0.111 2.784 1.00 0.27 H new ATOM 0 HE1 PHE A 37 -1.057 0.272 -2.091 1.00 0.36 H new ATOM 0 HE2 PHE A 37 -0.513 2.004 1.767 1.00 0.30 H new ATOM 0 HZ PHE A 37 -0.189 2.091 -0.672 1.00 0.33 H new ATOM 533 N HIS A 38 -4.871 -0.435 3.159 1.00 0.21 N ATOM 534 CA HIS A 38 -5.350 0.819 3.732 1.00 0.24 C ATOM 535 C HIS A 38 -4.230 1.546 4.470 1.00 0.24 C ATOM 536 O HIS A 38 -3.335 0.919 5.036 1.00 0.40 O ATOM 537 CB HIS A 38 -6.516 0.558 4.687 1.00 0.28 C ATOM 538 CG HIS A 38 -7.018 1.792 5.368 1.00 1.17 C ATOM 539 ND1 HIS A 38 -6.789 2.064 6.701 1.00 2.13 N ATOM 540 CD2 HIS A 38 -7.746 2.833 4.894 1.00 1.98 C ATOM 541 CE1 HIS A 38 -7.353 3.216 7.017 1.00 2.94 C ATOM 542 NE2 HIS A 38 -7.939 3.703 5.938 1.00 2.82 N ATOM 0 H HIS A 38 -4.587 -1.133 3.847 1.00 0.21 H new ATOM 0 HA HIS A 38 -5.693 1.452 2.914 1.00 0.24 H new ATOM 0 HB2 HIS A 38 -7.335 0.101 4.131 1.00 0.28 H new ATOM 0 HB3 HIS A 38 -6.202 -0.162 5.443 1.00 0.28 H new ATOM 0 HD2 HIS A 38 -8.107 2.955 3.883 1.00 1.98 H new ATOM 0 HE1 HIS A 38 -7.338 3.681 7.992 1.00 2.94 H new ATOM 0 HE2 HIS A 38 -8.452 4.583 5.889 1.00 2.82 H new ATOM 550 N VAL A 39 -4.286 2.875 4.459 1.00 0.27 N ATOM 551 CA VAL A 39 -3.278 3.691 5.127 1.00 0.27 C ATOM 552 C VAL A 39 -3.639 3.908 6.594 1.00 0.28 C ATOM 553 O VAL A 39 -4.623 4.578 6.908 1.00 0.40 O ATOM 554 CB VAL A 39 -3.117 5.060 4.439 1.00 0.39 C ATOM 555 CG1 VAL A 39 -1.892 5.788 4.973 1.00 1.28 C ATOM 556 CG2 VAL A 39 -3.034 4.893 2.930 1.00 0.88 C ATOM 0 H VAL A 39 -5.020 3.410 3.994 1.00 0.27 H new ATOM 0 HA VAL A 39 -2.334 3.150 5.062 1.00 0.27 H new ATOM 0 HB VAL A 39 -3.995 5.665 4.666 1.00 0.39 H new ATOM 0 HG11 VAL A 39 -1.796 6.753 4.475 1.00 1.28 H new ATOM 0 HG12 VAL A 39 -2.000 5.943 6.046 1.00 1.28 H new ATOM 0 HG13 VAL A 39 -1.001 5.190 4.781 1.00 1.28 H new ATOM 0 HG21 VAL A 39 -2.921 5.871 2.461 1.00 0.88 H new ATOM 0 HG22 VAL A 39 -2.176 4.269 2.680 1.00 0.88 H new ATOM 0 HG23 VAL A 39 -3.946 4.420 2.566 1.00 0.88 H new ATOM 566 N VAL A 40 -2.836 3.340 7.487 1.00 0.24 N ATOM 567 CA VAL A 40 -3.073 3.467 8.921 1.00 0.34 C ATOM 568 C VAL A 40 -2.603 4.820 9.445 1.00 0.37 C ATOM 569 O VAL A 40 -3.357 5.537 10.103 1.00 0.54 O ATOM 570 CB VAL A 40 -2.358 2.348 9.705 1.00 0.41 C ATOM 571 CG1 VAL A 40 -2.611 2.490 11.199 1.00 0.54 C ATOM 572 CG2 VAL A 40 -2.804 0.981 9.213 1.00 0.43 C ATOM 0 H VAL A 40 -2.015 2.787 7.243 1.00 0.24 H new ATOM 0 HA VAL A 40 -4.149 3.381 9.072 1.00 0.34 H new ATOM 0 HB VAL A 40 -1.286 2.442 9.531 1.00 0.41 H new ATOM 0 HG11 VAL A 40 -2.097 1.690 11.733 1.00 0.54 H new ATOM 0 HG12 VAL A 40 -2.236 3.454 11.542 1.00 0.54 H new ATOM 0 HG13 VAL A 40 -3.682 2.427 11.394 1.00 0.54 H new ATOM 0 HG21 VAL A 40 -2.288 0.205 9.778 1.00 0.43 H new ATOM 0 HG22 VAL A 40 -3.880 0.877 9.352 1.00 0.43 H new ATOM 0 HG23 VAL A 40 -2.564 0.879 8.155 1.00 0.43 H new ATOM 582 N ARG A 41 -1.352 5.165 9.151 1.00 0.27 N ATOM 583 CA ARG A 41 -0.787 6.433 9.600 1.00 0.31 C ATOM 584 C ARG A 41 0.549 6.709 8.922 1.00 0.31 C ATOM 585 O ARG A 41 1.489 5.922 9.035 1.00 0.40 O ATOM 586 CB ARG A 41 -0.609 6.423 11.119 1.00 0.40 C ATOM 587 CG ARG A 41 0.292 5.304 11.617 1.00 0.47 C ATOM 588 CD ARG A 41 0.463 5.356 13.128 1.00 0.57 C ATOM 589 NE ARG A 41 -0.814 5.249 13.828 1.00 1.37 N ATOM 590 CZ ARG A 41 -0.923 5.157 15.150 1.00 1.62 C ATOM 591 NH1 ARG A 41 0.164 5.161 15.908 1.00 0.94 N ATOM 592 NH2 ARG A 41 -2.120 5.064 15.714 1.00 2.80 N ATOM 0 H ARG A 41 -0.713 4.586 8.606 1.00 0.27 H new ATOM 0 HA ARG A 41 -1.481 7.228 9.325 1.00 0.31 H new ATOM 0 HB2 ARG A 41 -0.194 7.380 11.434 1.00 0.40 H new ATOM 0 HB3 ARG A 41 -1.587 6.328 11.591 1.00 0.40 H new ATOM 0 HG2 ARG A 41 -0.130 4.341 11.331 1.00 0.47 H new ATOM 0 HG3 ARG A 41 1.267 5.380 11.137 1.00 0.47 H new ATOM 0 HD2 ARG A 41 1.120 4.546 13.446 1.00 0.57 H new ATOM 0 HD3 ARG A 41 0.951 6.290 13.405 1.00 0.57 H new ATOM 0 HE ARG A 41 -1.669 5.245 13.272 1.00 1.37 H new ATOM 0 HH11 ARG A 41 1.086 5.235 15.477 1.00 0.94 H new ATOM 0 HH12 ARG A 41 0.079 5.090 16.922 1.00 0.94 H new ATOM 0 HH21 ARG A 41 -2.959 5.063 15.133 1.00 2.80 H new ATOM 0 HH22 ARG A 41 -2.202 4.993 16.728 1.00 2.80 H new ATOM 603 N VAL A 42 0.628 7.835 8.220 1.00 0.33 N ATOM 604 CA VAL A 42 1.851 8.221 7.525 1.00 0.39 C ATOM 605 C VAL A 42 2.099 9.721 7.650 1.00 0.43 C ATOM 606 O VAL A 42 1.173 10.493 7.903 1.00 0.49 O ATOM 607 CB VAL A 42 1.791 7.839 6.034 1.00 0.52 C ATOM 608 CG1 VAL A 42 0.600 8.499 5.359 1.00 0.97 C ATOM 609 CG2 VAL A 42 3.086 8.215 5.332 1.00 1.20 C ATOM 0 H VAL A 42 -0.141 8.497 8.117 1.00 0.33 H new ATOM 0 HA VAL A 42 2.672 7.680 7.996 1.00 0.39 H new ATOM 0 HB VAL A 42 1.667 6.759 5.962 1.00 0.52 H new ATOM 0 HG11 VAL A 42 0.576 8.216 4.307 1.00 0.97 H new ATOM 0 HG12 VAL A 42 -0.320 8.172 5.844 1.00 0.97 H new ATOM 0 HG13 VAL A 42 0.689 9.582 5.442 1.00 0.97 H new ATOM 0 HG21 VAL A 42 3.024 7.937 4.280 1.00 1.20 H new ATOM 0 HG22 VAL A 42 3.246 9.290 5.414 1.00 1.20 H new ATOM 0 HG23 VAL A 42 3.919 7.688 5.798 1.00 1.20 H new ATOM 619 N ALA A 43 3.352 10.129 7.472 1.00 0.47 N ATOM 620 CA ALA A 43 3.718 11.537 7.573 1.00 0.55 C ATOM 621 C ALA A 43 4.178 12.092 6.225 1.00 0.69 C ATOM 622 O ALA A 43 4.879 11.412 5.476 1.00 0.81 O ATOM 623 CB ALA A 43 4.808 11.724 8.615 1.00 0.55 C ATOM 0 H ALA A 43 4.130 9.505 7.257 1.00 0.47 H new ATOM 0 HA ALA A 43 2.831 12.091 7.880 1.00 0.55 H new ATOM 0 HB1 ALA A 43 5.072 12.780 8.680 1.00 0.55 H new ATOM 0 HB2 ALA A 43 4.448 11.379 9.584 1.00 0.55 H new ATOM 0 HB3 ALA A 43 5.688 11.147 8.329 1.00 0.55 H new ATOM 629 N PRO A 44 3.787 13.339 5.898 1.00 0.83 N ATOM 630 CA PRO A 44 4.172 13.982 4.636 1.00 1.00 C ATOM 631 C PRO A 44 5.683 14.138 4.502 1.00 0.98 C ATOM 632 O PRO A 44 6.215 14.183 3.393 1.00 1.15 O ATOM 633 CB PRO A 44 3.503 15.361 4.704 1.00 1.14 C ATOM 634 CG PRO A 44 2.440 15.233 5.740 1.00 1.34 C ATOM 635 CD PRO A 44 2.939 14.214 6.724 1.00 1.00 C ATOM 0 HA PRO A 44 3.864 13.388 3.775 1.00 1.00 H new ATOM 0 HB2 PRO A 44 4.223 16.134 4.973 1.00 1.14 H new ATOM 0 HB3 PRO A 44 3.080 15.641 3.739 1.00 1.14 H new ATOM 0 HG2 PRO A 44 2.255 16.189 6.229 1.00 1.34 H new ATOM 0 HG3 PRO A 44 1.497 14.916 5.294 1.00 1.34 H new ATOM 0 HD2 PRO A 44 3.505 14.677 7.532 1.00 1.00 H new ATOM 0 HD3 PRO A 44 2.119 13.663 7.184 1.00 1.00 H new ATOM 640 N LEU A 45 6.370 14.221 5.637 1.00 0.85 N ATOM 641 CA LEU A 45 7.821 14.377 5.645 1.00 0.90 C ATOM 642 C LEU A 45 8.514 13.037 5.422 1.00 0.91 C ATOM 643 O LEU A 45 9.183 12.832 4.408 1.00 1.23 O ATOM 644 CB LEU A 45 8.290 14.987 6.967 1.00 0.90 C ATOM 645 CG LEU A 45 7.869 16.439 7.206 1.00 1.76 C ATOM 646 CD1 LEU A 45 8.325 17.324 6.055 1.00 2.51 C ATOM 647 CD2 LEU A 45 6.363 16.541 7.396 1.00 2.25 C ATOM 0 H LEU A 45 5.945 14.183 6.564 1.00 0.85 H new ATOM 0 HA LEU A 45 8.088 15.049 4.829 1.00 0.90 H new ATOM 0 HB2 LEU A 45 7.908 14.376 7.785 1.00 0.90 H new ATOM 0 HB3 LEU A 45 9.378 14.930 7.008 1.00 0.90 H new ATOM 0 HG LEU A 45 8.351 16.787 8.120 1.00 1.76 H new ATOM 0 HD11 LEU A 45 8.017 18.353 6.243 1.00 2.51 H new ATOM 0 HD12 LEU A 45 9.411 17.280 5.971 1.00 2.51 H new ATOM 0 HD13 LEU A 45 7.874 16.974 5.126 1.00 2.51 H new ATOM 0 HD21 LEU A 45 6.087 17.582 7.564 1.00 2.25 H new ATOM 0 HD22 LEU A 45 5.858 16.171 6.504 1.00 2.25 H new ATOM 0 HD23 LEU A 45 6.063 15.943 8.256 1.00 2.25 H new ATOM 658 N GLY A 46 8.353 12.130 6.379 1.00 0.72 N ATOM 659 CA GLY A 46 8.968 10.821 6.270 1.00 0.72 C ATOM 660 C GLY A 46 8.884 10.036 7.563 1.00 0.66 C ATOM 661 O GLY A 46 9.666 10.266 8.488 1.00 0.77 O ATOM 0 H GLY A 46 7.808 12.278 7.228 1.00 0.72 H new ATOM 0 HA2 GLY A 46 8.481 10.258 5.474 1.00 0.72 H new ATOM 0 HA3 GLY A 46 10.014 10.936 5.985 1.00 0.72 H new ATOM 665 N ASP A 47 7.936 9.109 7.630 1.00 0.53 N ATOM 666 CA ASP A 47 7.750 8.289 8.821 1.00 0.49 C ATOM 667 C ASP A 47 7.326 6.872 8.449 1.00 0.46 C ATOM 668 O ASP A 47 7.028 6.591 7.287 1.00 0.46 O ATOM 669 CB ASP A 47 6.708 8.932 9.740 1.00 0.45 C ATOM 670 CG ASP A 47 7.244 10.167 10.440 1.00 0.78 C ATOM 671 OD1 ASP A 47 7.281 11.242 9.804 1.00 0.94 O ATOM 672 OD2 ASP A 47 7.630 10.057 11.622 1.00 1.07 O ATOM 0 H ASP A 47 7.283 8.906 6.873 1.00 0.53 H new ATOM 0 HA ASP A 47 8.702 8.228 9.349 1.00 0.49 H new ATOM 0 HB2 ASP A 47 5.828 9.201 9.156 1.00 0.45 H new ATOM 0 HB3 ASP A 47 6.386 8.205 10.486 1.00 0.45 H new ATOM 676 N PRO A 48 7.293 5.956 9.434 1.00 0.47 N ATOM 677 CA PRO A 48 6.905 4.570 9.214 1.00 0.47 C ATOM 678 C PRO A 48 5.393 4.394 9.266 1.00 0.37 C ATOM 679 O PRO A 48 4.769 4.570 10.313 1.00 0.38 O ATOM 680 CB PRO A 48 7.569 3.813 10.377 1.00 0.56 C ATOM 681 CG PRO A 48 8.227 4.853 11.238 1.00 0.61 C ATOM 682 CD PRO A 48 7.658 6.184 10.832 1.00 0.53 C ATOM 0 HA PRO A 48 7.212 4.211 8.232 1.00 0.47 H new ATOM 0 HB2 PRO A 48 6.830 3.249 10.946 1.00 0.56 H new ATOM 0 HB3 PRO A 48 8.301 3.096 10.006 1.00 0.56 H new ATOM 0 HG2 PRO A 48 8.036 4.657 12.293 1.00 0.61 H new ATOM 0 HG3 PRO A 48 9.308 4.838 11.102 1.00 0.61 H new ATOM 0 HD2 PRO A 48 6.794 6.459 11.438 1.00 0.53 H new ATOM 0 HD3 PRO A 48 8.388 6.987 10.936 1.00 0.53 H new ATOM 687 N VAL A 49 4.812 4.046 8.125 1.00 0.32 N ATOM 688 CA VAL A 49 3.372 3.858 8.023 1.00 0.26 C ATOM 689 C VAL A 49 3.016 2.379 7.912 1.00 0.28 C ATOM 690 O VAL A 49 3.702 1.610 7.239 1.00 0.39 O ATOM 691 CB VAL A 49 2.809 4.627 6.805 1.00 0.27 C ATOM 692 CG1 VAL A 49 3.624 4.315 5.559 1.00 0.35 C ATOM 693 CG2 VAL A 49 1.334 4.309 6.584 1.00 0.31 C ATOM 0 H VAL A 49 5.319 3.888 7.254 1.00 0.32 H new ATOM 0 HA VAL A 49 2.921 4.253 8.933 1.00 0.26 H new ATOM 0 HB VAL A 49 2.888 5.694 7.012 1.00 0.27 H new ATOM 0 HG11 VAL A 49 3.216 4.864 4.710 1.00 0.35 H new ATOM 0 HG12 VAL A 49 4.661 4.612 5.718 1.00 0.35 H new ATOM 0 HG13 VAL A 49 3.581 3.245 5.354 1.00 0.35 H new ATOM 0 HG21 VAL A 49 0.967 4.865 5.721 1.00 0.31 H new ATOM 0 HG22 VAL A 49 1.215 3.240 6.405 1.00 0.31 H new ATOM 0 HG23 VAL A 49 0.764 4.594 7.468 1.00 0.31 H new ATOM 703 N HIS A 50 1.935 1.990 8.581 1.00 0.29 N ATOM 704 CA HIS A 50 1.475 0.607 8.562 1.00 0.31 C ATOM 705 C HIS A 50 0.326 0.437 7.574 1.00 0.29 C ATOM 706 O HIS A 50 -0.572 1.275 7.502 1.00 0.31 O ATOM 707 CB HIS A 50 1.032 0.176 9.962 1.00 0.34 C ATOM 708 CG HIS A 50 2.079 0.379 11.012 1.00 0.37 C ATOM 709 ND1 HIS A 50 2.850 -0.647 11.517 1.00 1.13 N ATOM 710 CD2 HIS A 50 2.480 1.501 11.658 1.00 1.08 C ATOM 711 CE1 HIS A 50 3.677 -0.167 12.430 1.00 0.85 C ATOM 712 NE2 HIS A 50 3.473 1.134 12.532 1.00 0.68 N ATOM 0 H HIS A 50 1.360 2.616 9.145 1.00 0.29 H new ATOM 0 HA HIS A 50 2.303 -0.026 8.243 1.00 0.31 H new ATOM 0 HB2 HIS A 50 0.138 0.735 10.239 1.00 0.34 H new ATOM 0 HB3 HIS A 50 0.754 -0.878 9.937 1.00 0.34 H new ATOM 0 HD2 HIS A 50 2.091 2.498 11.512 1.00 1.08 H new ATOM 0 HE1 HIS A 50 4.396 -0.741 12.996 1.00 0.85 H new ATOM 0 HE2 HIS A 50 3.973 1.764 13.159 1.00 0.68 H new ATOM 720 N ILE A 51 0.362 -0.650 6.813 1.00 0.32 N ATOM 721 CA ILE A 51 -0.675 -0.928 5.828 1.00 0.32 C ATOM 722 C ILE A 51 -1.557 -2.093 6.269 1.00 0.32 C ATOM 723 O ILE A 51 -1.068 -3.077 6.822 1.00 0.31 O ATOM 724 CB ILE A 51 -0.068 -1.257 4.452 1.00 0.34 C ATOM 725 CG1 ILE A 51 0.829 -2.491 4.550 1.00 0.34 C ATOM 726 CG2 ILE A 51 0.715 -0.066 3.921 1.00 0.36 C ATOM 727 CD1 ILE A 51 1.459 -2.887 3.232 1.00 0.36 C ATOM 0 H ILE A 51 1.099 -1.354 6.859 1.00 0.32 H new ATOM 0 HA ILE A 51 -1.281 -0.026 5.746 1.00 0.32 H new ATOM 0 HB ILE A 51 -0.878 -1.474 3.755 1.00 0.34 H new ATOM 0 HG12 ILE A 51 1.618 -2.300 5.278 1.00 0.34 H new ATOM 0 HG13 ILE A 51 0.242 -3.328 4.929 1.00 0.34 H new ATOM 0 HG21 ILE A 51 1.138 -0.314 2.948 1.00 0.36 H new ATOM 0 HG22 ILE A 51 0.049 0.791 3.820 1.00 0.36 H new ATOM 0 HG23 ILE A 51 1.519 0.179 4.615 1.00 0.36 H new ATOM 0 HD11 ILE A 51 2.082 -3.770 3.377 1.00 0.36 H new ATOM 0 HD12 ILE A 51 0.676 -3.110 2.507 1.00 0.36 H new ATOM 0 HD13 ILE A 51 2.073 -2.067 2.861 1.00 0.36 H new ATOM 738 N GLU A 52 -2.857 -1.974 6.018 1.00 0.36 N ATOM 739 CA GLU A 52 -3.802 -3.021 6.387 1.00 0.39 C ATOM 740 C GLU A 52 -4.291 -3.770 5.151 1.00 0.42 C ATOM 741 O GLU A 52 -5.045 -3.228 4.343 1.00 0.43 O ATOM 742 CB GLU A 52 -4.994 -2.424 7.138 1.00 0.45 C ATOM 743 CG GLU A 52 -6.033 -3.457 7.543 1.00 1.01 C ATOM 744 CD GLU A 52 -7.182 -2.849 8.324 1.00 1.46 C ATOM 745 OE1 GLU A 52 -8.167 -2.414 7.689 1.00 1.91 O ATOM 746 OE2 GLU A 52 -7.096 -2.808 9.569 1.00 2.13 O ATOM 0 H GLU A 52 -3.279 -1.165 5.562 1.00 0.36 H new ATOM 0 HA GLU A 52 -3.287 -3.725 7.040 1.00 0.39 H new ATOM 0 HB2 GLU A 52 -4.633 -1.914 8.031 1.00 0.45 H new ATOM 0 HB3 GLU A 52 -5.468 -1.670 6.510 1.00 0.45 H new ATOM 0 HG2 GLU A 52 -6.423 -3.945 6.650 1.00 1.01 H new ATOM 0 HG3 GLU A 52 -5.557 -4.230 8.146 1.00 1.01 H new ATOM 751 N THR A 53 -3.857 -5.018 5.012 1.00 0.52 N ATOM 752 CA THR A 53 -4.251 -5.842 3.876 1.00 0.58 C ATOM 753 C THR A 53 -5.238 -6.923 4.299 1.00 0.61 C ATOM 754 O THR A 53 -5.705 -6.940 5.438 1.00 0.60 O ATOM 755 CB THR A 53 -3.027 -6.503 3.212 1.00 0.59 C ATOM 756 OG1 THR A 53 -2.421 -7.435 4.114 1.00 0.55 O ATOM 757 CG2 THR A 53 -2.009 -5.454 2.796 1.00 0.64 C ATOM 0 H THR A 53 -3.232 -5.481 5.672 1.00 0.52 H new ATOM 0 HA THR A 53 -4.731 -5.181 3.154 1.00 0.58 H new ATOM 0 HB THR A 53 -3.365 -7.033 2.321 1.00 0.59 H new ATOM 0 HG1 THR A 53 -2.088 -6.958 4.902 1.00 0.55 H new ATOM 0 HG21 THR A 53 -1.153 -5.942 2.330 1.00 0.64 H new ATOM 0 HG22 THR A 53 -2.466 -4.765 2.085 1.00 0.64 H new ATOM 0 HG23 THR A 53 -1.677 -4.901 3.675 1.00 0.64 H new ATOM 765 N ARG A 54 -5.552 -7.824 3.375 1.00 0.68 N ATOM 766 CA ARG A 54 -6.490 -8.907 3.647 1.00 0.73 C ATOM 767 C ARG A 54 -6.121 -9.656 4.926 1.00 0.67 C ATOM 768 O ARG A 54 -5.273 -10.547 4.913 1.00 0.69 O ATOM 769 CB ARG A 54 -6.529 -9.881 2.469 1.00 0.84 C ATOM 770 CG ARG A 54 -6.857 -9.217 1.140 1.00 1.47 C ATOM 771 CD ARG A 54 -8.193 -8.495 1.192 1.00 1.53 C ATOM 772 NE ARG A 54 -8.526 -7.867 -0.084 1.00 2.10 N ATOM 773 CZ ARG A 54 -9.493 -6.967 -0.230 1.00 2.32 C ATOM 774 NH1 ARG A 54 -10.214 -6.589 0.816 1.00 1.97 N ATOM 775 NH2 ARG A 54 -9.739 -6.443 -1.424 1.00 3.04 N ATOM 0 H ARG A 54 -5.170 -7.826 2.429 1.00 0.68 H new ATOM 0 HA ARG A 54 -7.477 -8.465 3.784 1.00 0.73 H new ATOM 0 HB2 ARG A 54 -5.563 -10.379 2.388 1.00 0.84 H new ATOM 0 HB3 ARG A 54 -7.270 -10.654 2.672 1.00 0.84 H new ATOM 0 HG2 ARG A 54 -6.070 -8.509 0.882 1.00 1.47 H new ATOM 0 HG3 ARG A 54 -6.880 -9.970 0.352 1.00 1.47 H new ATOM 0 HD2 ARG A 54 -8.977 -9.202 1.463 1.00 1.53 H new ATOM 0 HD3 ARG A 54 -8.164 -7.735 1.973 1.00 1.53 H new ATOM 0 HE ARG A 54 -7.987 -8.134 -0.908 1.00 2.10 H new ATOM 0 HH11 ARG A 54 -10.027 -6.989 1.736 1.00 1.97 H new ATOM 0 HH12 ARG A 54 -10.956 -5.898 0.701 1.00 1.97 H new ATOM 0 HH21 ARG A 54 -9.186 -6.731 -2.231 1.00 3.04 H new ATOM 0 HH22 ARG A 54 -10.481 -5.752 -1.535 1.00 3.04 H new ATOM 786 N ARG A 55 -6.765 -9.284 6.028 1.00 0.66 N ATOM 787 CA ARG A 55 -6.525 -9.924 7.315 1.00 0.66 C ATOM 788 C ARG A 55 -5.040 -9.944 7.667 1.00 0.62 C ATOM 789 O ARG A 55 -4.585 -10.807 8.420 1.00 0.70 O ATOM 790 CB ARG A 55 -7.074 -11.351 7.300 1.00 0.73 C ATOM 791 CG ARG A 55 -8.583 -11.419 7.131 1.00 1.06 C ATOM 792 CD ARG A 55 -9.063 -12.854 6.996 1.00 1.67 C ATOM 793 NE ARG A 55 -8.517 -13.503 5.808 1.00 2.43 N ATOM 794 CZ ARG A 55 -8.926 -14.687 5.362 1.00 3.17 C ATOM 795 NH1 ARG A 55 -9.877 -15.348 6.008 1.00 3.34 N ATOM 796 NH2 ARG A 55 -8.385 -15.213 4.272 1.00 4.11 N ATOM 0 H ARG A 55 -7.461 -8.538 6.054 1.00 0.66 H new ATOM 0 HA ARG A 55 -7.042 -9.341 8.077 1.00 0.66 H new ATOM 0 HB2 ARG A 55 -6.600 -11.905 6.490 1.00 0.73 H new ATOM 0 HB3 ARG A 55 -6.798 -11.848 8.230 1.00 0.73 H new ATOM 0 HG2 ARG A 55 -9.068 -10.951 7.988 1.00 1.06 H new ATOM 0 HG3 ARG A 55 -8.878 -10.851 6.249 1.00 1.06 H new ATOM 0 HD2 ARG A 55 -8.774 -13.418 7.883 1.00 1.67 H new ATOM 0 HD3 ARG A 55 -10.152 -12.869 6.950 1.00 1.67 H new ATOM 0 HE ARG A 55 -7.781 -13.022 5.291 1.00 2.43 H new ATOM 0 HH11 ARG A 55 -10.296 -14.948 6.848 1.00 3.34 H new ATOM 0 HH12 ARG A 55 -10.190 -16.256 5.665 1.00 3.34 H new ATOM 0 HH21 ARG A 55 -7.652 -14.709 3.772 1.00 4.11 H new ATOM 0 HH22 ARG A 55 -8.701 -16.122 3.933 1.00 4.11 H new ATOM 807 N VAL A 56 -4.287 -8.991 7.131 1.00 0.58 N ATOM 808 CA VAL A 56 -2.856 -8.908 7.402 1.00 0.57 C ATOM 809 C VAL A 56 -2.384 -7.460 7.420 1.00 0.49 C ATOM 810 O VAL A 56 -2.520 -6.738 6.433 1.00 0.50 O ATOM 811 CB VAL A 56 -2.036 -9.695 6.361 1.00 0.66 C ATOM 812 CG1 VAL A 56 -0.549 -9.597 6.662 1.00 1.02 C ATOM 813 CG2 VAL A 56 -2.481 -11.150 6.322 1.00 1.23 C ATOM 0 H VAL A 56 -4.642 -8.266 6.507 1.00 0.58 H new ATOM 0 HA VAL A 56 -2.695 -9.351 8.385 1.00 0.57 H new ATOM 0 HB VAL A 56 -2.214 -9.254 5.380 1.00 0.66 H new ATOM 0 HG11 VAL A 56 0.011 -10.160 5.915 1.00 1.02 H new ATOM 0 HG12 VAL A 56 -0.241 -8.552 6.636 1.00 1.02 H new ATOM 0 HG13 VAL A 56 -0.350 -10.009 7.651 1.00 1.02 H new ATOM 0 HG21 VAL A 56 -1.892 -11.691 5.582 1.00 1.23 H new ATOM 0 HG22 VAL A 56 -2.334 -11.602 7.303 1.00 1.23 H new ATOM 0 HG23 VAL A 56 -3.536 -11.201 6.053 1.00 1.23 H new ATOM 823 N SER A 57 -1.829 -7.039 8.551 1.00 0.48 N ATOM 824 CA SER A 57 -1.337 -5.674 8.696 1.00 0.43 C ATOM 825 C SER A 57 0.185 -5.633 8.618 1.00 0.42 C ATOM 826 O SER A 57 0.878 -6.070 9.538 1.00 0.46 O ATOM 827 CB SER A 57 -1.809 -5.077 10.023 1.00 0.51 C ATOM 828 OG SER A 57 -1.346 -3.747 10.176 1.00 0.64 O ATOM 0 H SER A 57 -1.709 -7.622 9.379 1.00 0.48 H new ATOM 0 HA SER A 57 -1.740 -5.080 7.876 1.00 0.43 H new ATOM 0 HB2 SER A 57 -2.898 -5.094 10.066 1.00 0.51 H new ATOM 0 HB3 SER A 57 -1.448 -5.689 10.850 1.00 0.51 H new ATOM 0 HG SER A 57 -1.662 -3.387 11.031 1.00 0.64 H new ATOM 833 N LEU A 58 0.699 -5.111 7.509 1.00 0.38 N ATOM 834 CA LEU A 58 2.140 -5.009 7.308 1.00 0.40 C ATOM 835 C LEU A 58 2.614 -3.576 7.527 1.00 0.37 C ATOM 836 O LEU A 58 1.820 -2.637 7.475 1.00 0.38 O ATOM 837 CB LEU A 58 2.512 -5.470 5.898 1.00 0.43 C ATOM 838 CG LEU A 58 4.012 -5.475 5.591 1.00 0.96 C ATOM 839 CD1 LEU A 58 4.736 -6.459 6.495 1.00 1.50 C ATOM 840 CD2 LEU A 58 4.256 -5.812 4.128 1.00 1.54 C ATOM 0 H LEU A 58 0.139 -4.752 6.736 1.00 0.38 H new ATOM 0 HA LEU A 58 2.633 -5.654 8.035 1.00 0.40 H new ATOM 0 HB2 LEU A 58 2.123 -6.477 5.747 1.00 0.43 H new ATOM 0 HB3 LEU A 58 2.012 -4.823 5.177 1.00 0.43 H new ATOM 0 HG LEU A 58 4.407 -4.477 5.783 1.00 0.96 H new ATOM 0 HD11 LEU A 58 5.801 -6.450 6.263 1.00 1.50 H new ATOM 0 HD12 LEU A 58 4.589 -6.173 7.536 1.00 1.50 H new ATOM 0 HD13 LEU A 58 4.338 -7.461 6.334 1.00 1.50 H new ATOM 0 HD21 LEU A 58 5.328 -5.811 3.928 1.00 1.54 H new ATOM 0 HD22 LEU A 58 3.847 -6.798 3.909 1.00 1.54 H new ATOM 0 HD23 LEU A 58 3.769 -5.069 3.497 1.00 1.54 H new ATOM 851 N VAL A 59 3.908 -3.414 7.775 1.00 0.41 N ATOM 852 CA VAL A 59 4.481 -2.093 7.998 1.00 0.40 C ATOM 853 C VAL A 59 5.515 -1.755 6.930 1.00 0.40 C ATOM 854 O VAL A 59 6.321 -2.601 6.543 1.00 0.47 O ATOM 855 CB VAL A 59 5.140 -1.992 9.387 1.00 0.45 C ATOM 856 CG1 VAL A 59 6.270 -2.999 9.519 1.00 0.50 C ATOM 857 CG2 VAL A 59 5.643 -0.578 9.636 1.00 0.45 C ATOM 0 H VAL A 59 4.579 -4.180 7.827 1.00 0.41 H new ATOM 0 HA VAL A 59 3.659 -1.379 7.943 1.00 0.40 H new ATOM 0 HB VAL A 59 4.390 -2.225 10.142 1.00 0.45 H new ATOM 0 HG11 VAL A 59 6.722 -2.911 10.507 1.00 0.50 H new ATOM 0 HG12 VAL A 59 5.876 -4.007 9.388 1.00 0.50 H new ATOM 0 HG13 VAL A 59 7.024 -2.802 8.756 1.00 0.50 H new ATOM 0 HG21 VAL A 59 6.106 -0.525 10.622 1.00 0.45 H new ATOM 0 HG22 VAL A 59 6.378 -0.314 8.875 1.00 0.45 H new ATOM 0 HG23 VAL A 59 4.806 0.119 9.590 1.00 0.45 H new ATOM 867 N LEU A 60 5.486 -0.513 6.457 1.00 0.39 N ATOM 868 CA LEU A 60 6.419 -0.064 5.429 1.00 0.40 C ATOM 869 C LEU A 60 6.972 1.318 5.763 1.00 0.38 C ATOM 870 O LEU A 60 6.342 2.094 6.483 1.00 0.48 O ATOM 871 CB LEU A 60 5.732 -0.037 4.064 1.00 0.45 C ATOM 872 CG LEU A 60 5.224 -1.391 3.566 1.00 0.61 C ATOM 873 CD1 LEU A 60 4.493 -1.232 2.242 1.00 0.77 C ATOM 874 CD2 LEU A 60 6.376 -2.374 3.426 1.00 0.97 C ATOM 0 H LEU A 60 4.827 0.200 6.769 1.00 0.39 H new ATOM 0 HA LEU A 60 7.250 -0.768 5.394 1.00 0.40 H new ATOM 0 HB2 LEU A 60 4.890 0.654 4.112 1.00 0.45 H new ATOM 0 HB3 LEU A 60 6.432 0.363 3.330 1.00 0.45 H new ATOM 0 HG LEU A 60 4.522 -1.787 4.300 1.00 0.61 H new ATOM 0 HD11 LEU A 60 4.139 -2.205 1.903 1.00 0.77 H new ATOM 0 HD12 LEU A 60 3.643 -0.562 2.374 1.00 0.77 H new ATOM 0 HD13 LEU A 60 5.172 -0.814 1.499 1.00 0.77 H new ATOM 0 HD21 LEU A 60 5.996 -3.332 3.071 1.00 0.97 H new ATOM 0 HD22 LEU A 60 7.102 -1.984 2.712 1.00 0.97 H new ATOM 0 HD23 LEU A 60 6.857 -2.511 4.394 1.00 0.97 H new ATOM 885 N ARG A 61 8.152 1.621 5.231 1.00 0.51 N ATOM 886 CA ARG A 61 8.792 2.907 5.472 1.00 0.58 C ATOM 887 C ARG A 61 9.063 3.638 4.162 1.00 0.54 C ATOM 888 O ARG A 61 9.189 3.018 3.106 1.00 0.59 O ATOM 889 CB ARG A 61 10.095 2.714 6.248 1.00 0.69 C ATOM 890 CG ARG A 61 9.891 2.105 7.625 1.00 1.34 C ATOM 891 CD ARG A 61 11.214 1.863 8.333 1.00 1.51 C ATOM 892 NE ARG A 61 11.976 3.097 8.512 1.00 2.06 N ATOM 893 CZ ARG A 61 13.130 3.159 9.167 1.00 2.47 C ATOM 894 NH1 ARG A 61 13.652 2.063 9.699 1.00 2.45 N ATOM 895 NH2 ARG A 61 13.763 4.318 9.291 1.00 3.32 N ATOM 0 H ARG A 61 8.684 0.992 4.630 1.00 0.51 H new ATOM 0 HA ARG A 61 8.112 3.517 6.067 1.00 0.58 H new ATOM 0 HB2 ARG A 61 10.762 2.074 5.671 1.00 0.69 H new ATOM 0 HB3 ARG A 61 10.592 3.678 6.355 1.00 0.69 H new ATOM 0 HG2 ARG A 61 9.271 2.768 8.228 1.00 1.34 H new ATOM 0 HG3 ARG A 61 9.351 1.163 7.530 1.00 1.34 H new ATOM 0 HD2 ARG A 61 11.026 1.409 9.306 1.00 1.51 H new ATOM 0 HD3 ARG A 61 11.807 1.151 7.759 1.00 1.51 H new ATOM 0 HE ARG A 61 11.601 3.957 8.112 1.00 2.06 H new ATOM 0 HH11 ARG A 61 13.168 1.170 9.606 1.00 2.45 H new ATOM 0 HH12 ARG A 61 14.538 2.112 10.202 1.00 2.45 H new ATOM 0 HH21 ARG A 61 13.364 5.163 8.883 1.00 3.32 H new ATOM 0 HH22 ARG A 61 14.649 4.364 9.794 1.00 3.32 H new ATOM 906 N LYS A 62 9.162 4.964 4.241 1.00 0.69 N ATOM 907 CA LYS A 62 9.409 5.795 3.063 1.00 0.74 C ATOM 908 C LYS A 62 10.498 5.197 2.175 1.00 0.68 C ATOM 909 O LYS A 62 10.500 5.398 0.960 1.00 0.76 O ATOM 910 CB LYS A 62 9.811 7.210 3.486 1.00 0.92 C ATOM 911 CG LYS A 62 8.794 7.900 4.383 1.00 1.88 C ATOM 912 CD LYS A 62 7.765 8.676 3.575 1.00 2.95 C ATOM 913 CE LYS A 62 7.006 7.776 2.616 1.00 3.60 C ATOM 914 NZ LYS A 62 5.841 8.475 2.006 1.00 4.70 N ATOM 0 H LYS A 62 9.075 5.488 5.112 1.00 0.69 H new ATOM 0 HA LYS A 62 8.483 5.835 2.489 1.00 0.74 H new ATOM 0 HB2 LYS A 62 10.768 7.165 4.007 1.00 0.92 H new ATOM 0 HB3 LYS A 62 9.963 7.816 2.593 1.00 0.92 H new ATOM 0 HG2 LYS A 62 8.288 7.156 4.998 1.00 1.88 H new ATOM 0 HG3 LYS A 62 9.310 8.578 5.063 1.00 1.88 H new ATOM 0 HD2 LYS A 62 7.062 9.161 4.252 1.00 2.95 H new ATOM 0 HD3 LYS A 62 8.264 9.466 3.014 1.00 2.95 H new ATOM 0 HE2 LYS A 62 7.678 7.435 1.829 1.00 3.60 H new ATOM 0 HE3 LYS A 62 6.660 6.889 3.147 1.00 3.60 H new ATOM 0 HZ1 LYS A 62 5.349 7.828 1.358 1.00 4.70 H new ATOM 0 HZ2 LYS A 62 5.187 8.778 2.755 1.00 4.70 H new ATOM 0 HZ3 LYS A 62 6.173 9.307 1.478 1.00 4.70 H new ATOM 924 N LYS A 63 11.420 4.465 2.788 1.00 0.64 N ATOM 925 CA LYS A 63 12.513 3.843 2.051 1.00 0.71 C ATOM 926 C LYS A 63 12.029 2.608 1.302 1.00 0.63 C ATOM 927 O LYS A 63 12.485 2.326 0.193 1.00 0.73 O ATOM 928 CB LYS A 63 13.650 3.465 3.000 1.00 0.88 C ATOM 929 CG LYS A 63 13.264 2.412 4.026 1.00 0.88 C ATOM 930 CD LYS A 63 14.456 2.003 4.874 1.00 1.10 C ATOM 931 CE LYS A 63 14.076 0.944 5.897 1.00 1.67 C ATOM 932 NZ LYS A 63 15.240 0.532 6.727 1.00 2.28 N ATOM 0 H LYS A 63 11.433 4.288 3.792 1.00 0.64 H new ATOM 0 HA LYS A 63 12.884 4.566 1.324 1.00 0.71 H new ATOM 0 HB2 LYS A 63 14.493 3.098 2.415 1.00 0.88 H new ATOM 0 HB3 LYS A 63 13.990 4.360 3.521 1.00 0.88 H new ATOM 0 HG2 LYS A 63 12.474 2.800 4.669 1.00 0.88 H new ATOM 0 HG3 LYS A 63 12.860 1.537 3.517 1.00 0.88 H new ATOM 0 HD2 LYS A 63 15.248 1.620 4.230 1.00 1.10 H new ATOM 0 HD3 LYS A 63 14.857 2.878 5.386 1.00 1.10 H new ATOM 0 HE2 LYS A 63 13.288 1.330 6.543 1.00 1.67 H new ATOM 0 HE3 LYS A 63 13.669 0.073 5.384 1.00 1.67 H new ATOM 0 HZ1 LYS A 63 14.940 -0.191 7.412 1.00 2.28 H new ATOM 0 HZ2 LYS A 63 15.983 0.140 6.113 1.00 2.28 H new ATOM 0 HZ3 LYS A 63 15.613 1.358 7.237 1.00 2.28 H new ATOM 942 N ASP A 64 11.104 1.876 1.911 1.00 0.54 N ATOM 943 CA ASP A 64 10.559 0.671 1.297 1.00 0.54 C ATOM 944 C ASP A 64 9.598 1.025 0.169 1.00 0.46 C ATOM 945 O ASP A 64 9.513 0.315 -0.833 1.00 0.56 O ATOM 946 CB ASP A 64 9.844 -0.183 2.346 1.00 0.56 C ATOM 947 CG ASP A 64 10.754 -0.569 3.495 1.00 1.38 C ATOM 948 OD1 ASP A 64 11.466 -1.588 3.371 1.00 1.49 O ATOM 949 OD2 ASP A 64 10.754 0.145 4.519 1.00 2.30 O ATOM 0 H ASP A 64 10.716 2.095 2.828 1.00 0.54 H new ATOM 0 HA ASP A 64 11.387 0.099 0.878 1.00 0.54 H new ATOM 0 HB2 ASP A 64 8.986 0.366 2.734 1.00 0.56 H new ATOM 0 HB3 ASP A 64 9.457 -1.086 1.873 1.00 0.56 H new ATOM 953 N LEU A 65 8.872 2.126 0.339 1.00 0.39 N ATOM 954 CA LEU A 65 7.917 2.573 -0.668 1.00 0.41 C ATOM 955 C LEU A 65 8.635 3.186 -1.866 1.00 0.45 C ATOM 956 O LEU A 65 8.117 3.180 -2.983 1.00 0.52 O ATOM 957 CB LEU A 65 6.941 3.592 -0.070 1.00 0.51 C ATOM 958 CG LEU A 65 5.931 3.024 0.931 1.00 0.49 C ATOM 959 CD1 LEU A 65 6.620 2.620 2.225 1.00 0.67 C ATOM 960 CD2 LEU A 65 4.831 4.037 1.207 1.00 0.70 C ATOM 0 H LEU A 65 8.927 2.724 1.164 1.00 0.39 H new ATOM 0 HA LEU A 65 7.357 1.702 -1.007 1.00 0.41 H new ATOM 0 HB2 LEU A 65 7.517 4.374 0.425 1.00 0.51 H new ATOM 0 HB3 LEU A 65 6.393 4.066 -0.884 1.00 0.51 H new ATOM 0 HG LEU A 65 5.481 2.133 0.493 1.00 0.49 H new ATOM 0 HD11 LEU A 65 5.882 2.219 2.920 1.00 0.67 H new ATOM 0 HD12 LEU A 65 7.371 1.859 2.015 1.00 0.67 H new ATOM 0 HD13 LEU A 65 7.101 3.492 2.669 1.00 0.67 H new ATOM 0 HD21 LEU A 65 4.121 3.618 1.920 1.00 0.70 H new ATOM 0 HD22 LEU A 65 5.268 4.945 1.621 1.00 0.70 H new ATOM 0 HD23 LEU A 65 4.314 4.275 0.277 1.00 0.70 H new ATOM 971 N ALA A 66 9.830 3.715 -1.626 1.00 0.46 N ATOM 972 CA ALA A 66 10.618 4.333 -2.687 1.00 0.52 C ATOM 973 C ALA A 66 10.914 3.337 -3.805 1.00 0.50 C ATOM 974 O ALA A 66 11.136 3.725 -4.951 1.00 0.66 O ATOM 975 CB ALA A 66 11.913 4.897 -2.121 1.00 0.60 C ATOM 0 H ALA A 66 10.274 3.728 -0.708 1.00 0.46 H new ATOM 0 HA ALA A 66 10.034 5.149 -3.111 1.00 0.52 H new ATOM 0 HB1 ALA A 66 12.492 5.355 -2.923 1.00 0.60 H new ATOM 0 HB2 ALA A 66 11.683 5.648 -1.365 1.00 0.60 H new ATOM 0 HB3 ALA A 66 12.493 4.093 -1.669 1.00 0.60 H new ATOM 981 N LEU A 67 10.914 2.053 -3.463 1.00 0.37 N ATOM 982 CA LEU A 67 11.184 1.001 -4.437 1.00 0.35 C ATOM 983 C LEU A 67 9.890 0.480 -5.057 1.00 0.31 C ATOM 984 O LEU A 67 9.710 0.528 -6.274 1.00 0.30 O ATOM 985 CB LEU A 67 11.948 -0.149 -3.777 1.00 0.38 C ATOM 986 CG LEU A 67 13.361 0.201 -3.305 1.00 0.43 C ATOM 987 CD1 LEU A 67 13.994 -0.983 -2.591 1.00 0.48 C ATOM 988 CD2 LEU A 67 14.220 0.635 -4.484 1.00 0.47 C ATOM 0 H LEU A 67 10.730 1.715 -2.518 1.00 0.37 H new ATOM 0 HA LEU A 67 11.796 1.427 -5.232 1.00 0.35 H new ATOM 0 HB2 LEU A 67 11.373 -0.504 -2.922 1.00 0.38 H new ATOM 0 HB3 LEU A 67 12.012 -0.976 -4.484 1.00 0.38 H new ATOM 0 HG LEU A 67 13.295 1.030 -2.601 1.00 0.43 H new ATOM 0 HD11 LEU A 67 14.998 -0.715 -2.263 1.00 0.48 H new ATOM 0 HD12 LEU A 67 13.389 -1.252 -1.725 1.00 0.48 H new ATOM 0 HD13 LEU A 67 14.049 -1.832 -3.273 1.00 0.48 H new ATOM 0 HD21 LEU A 67 15.222 0.881 -4.133 1.00 0.47 H new ATOM 0 HD22 LEU A 67 14.278 -0.176 -5.210 1.00 0.47 H new ATOM 0 HD23 LEU A 67 13.775 1.512 -4.955 1.00 0.47 H new ATOM 999 N ILE A 68 8.994 -0.019 -4.211 1.00 0.31 N ATOM 1000 CA ILE A 68 7.716 -0.547 -4.677 1.00 0.30 C ATOM 1001 C ILE A 68 6.836 0.568 -5.230 1.00 0.30 C ATOM 1002 O ILE A 68 6.978 1.730 -4.849 1.00 0.37 O ATOM 1003 CB ILE A 68 6.961 -1.268 -3.546 1.00 0.34 C ATOM 1004 CG1 ILE A 68 6.729 -0.313 -2.372 1.00 0.38 C ATOM 1005 CG2 ILE A 68 7.734 -2.498 -3.092 1.00 0.38 C ATOM 1006 CD1 ILE A 68 5.994 -0.947 -1.212 1.00 0.43 C ATOM 0 H ILE A 68 9.129 -0.069 -3.201 1.00 0.31 H new ATOM 0 HA ILE A 68 7.936 -1.263 -5.469 1.00 0.30 H new ATOM 0 HB ILE A 68 5.992 -1.593 -3.924 1.00 0.34 H new ATOM 0 HG12 ILE A 68 7.692 0.059 -2.022 1.00 0.38 H new ATOM 0 HG13 ILE A 68 6.162 0.550 -2.723 1.00 0.38 H new ATOM 0 HG21 ILE A 68 7.187 -2.997 -2.292 1.00 0.38 H new ATOM 0 HG22 ILE A 68 7.854 -3.183 -3.931 1.00 0.38 H new ATOM 0 HG23 ILE A 68 8.716 -2.196 -2.727 1.00 0.38 H new ATOM 0 HD11 ILE A 68 5.865 -0.212 -0.417 1.00 0.43 H new ATOM 0 HD12 ILE A 68 5.017 -1.294 -1.547 1.00 0.43 H new ATOM 0 HD13 ILE A 68 6.570 -1.792 -0.835 1.00 0.43 H new ATOM 1017 N GLU A 69 5.924 0.211 -6.129 1.00 0.29 N ATOM 1018 CA GLU A 69 5.027 1.189 -6.731 1.00 0.32 C ATOM 1019 C GLU A 69 3.634 1.109 -6.109 1.00 0.31 C ATOM 1020 O GLU A 69 3.241 0.072 -5.574 1.00 0.37 O ATOM 1021 CB GLU A 69 4.937 0.969 -8.241 1.00 0.34 C ATOM 1022 CG GLU A 69 4.297 2.131 -8.986 1.00 0.44 C ATOM 1023 CD GLU A 69 5.038 3.436 -8.776 1.00 1.30 C ATOM 1024 OE1 GLU A 69 5.970 3.722 -9.558 1.00 1.26 O ATOM 1025 OE2 GLU A 69 4.688 4.174 -7.833 1.00 2.29 O ATOM 0 H GLU A 69 5.787 -0.746 -6.455 1.00 0.29 H new ATOM 0 HA GLU A 69 5.434 2.182 -6.539 1.00 0.32 H new ATOM 0 HB2 GLU A 69 5.939 0.802 -8.636 1.00 0.34 H new ATOM 0 HB3 GLU A 69 4.363 0.063 -8.435 1.00 0.34 H new ATOM 0 HG2 GLU A 69 4.266 1.902 -10.051 1.00 0.44 H new ATOM 0 HG3 GLU A 69 3.265 2.246 -8.655 1.00 0.44 H new ATOM 1030 N LEU A 70 2.897 2.211 -6.184 1.00 0.32 N ATOM 1031 CA LEU A 70 1.548 2.270 -5.631 1.00 0.33 C ATOM 1032 C LEU A 70 0.562 2.799 -6.667 1.00 0.33 C ATOM 1033 O LEU A 70 0.961 3.351 -7.693 1.00 0.45 O ATOM 1034 CB LEU A 70 1.525 3.160 -4.385 1.00 0.38 C ATOM 1035 CG LEU A 70 2.410 2.685 -3.231 1.00 0.95 C ATOM 1036 CD1 LEU A 70 2.405 3.701 -2.101 1.00 1.25 C ATOM 1037 CD2 LEU A 70 1.945 1.328 -2.729 1.00 1.85 C ATOM 0 H LEU A 70 3.211 3.077 -6.623 1.00 0.32 H new ATOM 0 HA LEU A 70 1.249 1.260 -5.352 1.00 0.33 H new ATOM 0 HB2 LEU A 70 1.835 4.165 -4.670 1.00 0.38 H new ATOM 0 HB3 LEU A 70 0.498 3.232 -4.028 1.00 0.38 H new ATOM 0 HG LEU A 70 3.431 2.586 -3.599 1.00 0.95 H new ATOM 0 HD11 LEU A 70 3.040 3.346 -1.289 1.00 1.25 H new ATOM 0 HD12 LEU A 70 2.784 4.655 -2.468 1.00 1.25 H new ATOM 0 HD13 LEU A 70 1.387 3.832 -1.734 1.00 1.25 H new ATOM 0 HD21 LEU A 70 2.585 1.005 -1.908 1.00 1.85 H new ATOM 0 HD22 LEU A 70 0.916 1.403 -2.378 1.00 1.85 H new ATOM 0 HD23 LEU A 70 2.000 0.602 -3.540 1.00 1.85 H new ATOM 1048 N GLU A 71 -0.727 2.626 -6.395 1.00 0.35 N ATOM 1049 CA GLU A 71 -1.770 3.086 -7.305 1.00 0.38 C ATOM 1050 C GLU A 71 -3.032 3.470 -6.541 1.00 0.37 C ATOM 1051 O GLU A 71 -3.330 2.903 -5.489 1.00 0.52 O ATOM 1052 CB GLU A 71 -2.095 2.000 -8.334 1.00 0.47 C ATOM 1053 CG GLU A 71 -3.196 2.392 -9.307 1.00 0.54 C ATOM 1054 CD GLU A 71 -2.860 3.644 -10.094 1.00 1.31 C ATOM 1055 OE1 GLU A 71 -2.121 3.535 -11.096 1.00 1.26 O ATOM 1056 OE2 GLU A 71 -3.331 4.734 -9.705 1.00 2.24 O ATOM 0 H GLU A 71 -1.075 2.170 -5.551 1.00 0.35 H new ATOM 0 HA GLU A 71 -1.398 3.970 -7.823 1.00 0.38 H new ATOM 0 HB2 GLU A 71 -1.192 1.763 -8.897 1.00 0.47 H new ATOM 0 HB3 GLU A 71 -2.392 1.092 -7.810 1.00 0.47 H new ATOM 0 HG2 GLU A 71 -3.374 1.569 -9.999 1.00 0.54 H new ATOM 0 HG3 GLU A 71 -4.123 2.551 -8.756 1.00 0.54 H new ATOM 1061 N ALA A 72 -3.770 4.439 -7.074 1.00 0.45 N ATOM 1062 CA ALA A 72 -5.002 4.895 -6.445 1.00 0.52 C ATOM 1063 C ALA A 72 -6.072 3.808 -6.492 1.00 0.44 C ATOM 1064 O ALA A 72 -5.810 2.685 -6.920 1.00 0.53 O ATOM 1065 CB ALA A 72 -5.504 6.161 -7.121 1.00 0.76 C ATOM 0 H ALA A 72 -3.535 4.923 -7.941 1.00 0.45 H new ATOM 0 HA ALA A 72 -4.788 5.117 -5.399 1.00 0.52 H new ATOM 0 HB1 ALA A 72 -6.425 6.490 -6.640 1.00 0.76 H new ATOM 0 HB2 ALA A 72 -4.750 6.943 -7.034 1.00 0.76 H new ATOM 0 HB3 ALA A 72 -5.697 5.959 -8.175 1.00 0.76 H new ATOM 1071 N VAL A 73 -7.278 4.150 -6.050 1.00 0.58 N ATOM 1072 CA VAL A 73 -8.387 3.203 -6.047 1.00 0.64 C ATOM 1073 C VAL A 73 -9.636 3.822 -6.662 1.00 0.83 C ATOM 1074 O VAL A 73 -9.615 4.965 -7.120 1.00 0.99 O ATOM 1075 CB VAL A 73 -8.711 2.720 -4.621 1.00 0.78 C ATOM 1076 CG1 VAL A 73 -7.534 1.959 -4.033 1.00 1.01 C ATOM 1077 CG2 VAL A 73 -9.090 3.896 -3.733 1.00 1.16 C ATOM 0 H VAL A 73 -7.512 5.075 -5.690 1.00 0.58 H new ATOM 0 HA VAL A 73 -8.076 2.348 -6.647 1.00 0.64 H new ATOM 0 HB VAL A 73 -9.563 2.042 -4.673 1.00 0.78 H new ATOM 0 HG11 VAL A 73 -7.783 1.626 -3.025 1.00 1.01 H new ATOM 0 HG12 VAL A 73 -7.312 1.093 -4.657 1.00 1.01 H new ATOM 0 HG13 VAL A 73 -6.662 2.611 -3.995 1.00 1.01 H new ATOM 0 HG21 VAL A 73 -9.316 3.536 -2.729 1.00 1.16 H new ATOM 0 HG22 VAL A 73 -8.259 4.600 -3.688 1.00 1.16 H new ATOM 0 HG23 VAL A 73 -9.967 4.395 -4.145 1.00 1.16 H new ATOM 1087 N ALA A 74 -10.725 3.059 -6.669 1.00 0.99 N ATOM 1088 CA ALA A 74 -11.986 3.532 -7.230 1.00 1.25 C ATOM 1089 C ALA A 74 -12.475 4.784 -6.509 1.00 1.66 C ATOM 1090 O ALA A 74 -12.445 4.857 -5.281 1.00 2.28 O ATOM 1091 CB ALA A 74 -13.038 2.437 -7.162 1.00 1.57 C ATOM 0 H ALA A 74 -10.760 2.111 -6.293 1.00 0.99 H new ATOM 0 HA ALA A 74 -11.814 3.791 -8.275 1.00 1.25 H new ATOM 0 HB1 ALA A 74 -13.973 2.804 -7.584 1.00 1.57 H new ATOM 0 HB2 ALA A 74 -12.699 1.571 -7.730 1.00 1.57 H new ATOM 0 HB3 ALA A 74 -13.197 2.149 -6.123 1.00 1.57 H new ATOM 1097 N GLN A 75 -12.927 5.763 -7.283 1.00 1.95 N ATOM 1098 CA GLN A 75 -13.430 7.010 -6.722 1.00 2.53 C ATOM 1099 C GLN A 75 -14.891 6.866 -6.310 1.00 2.88 C ATOM 1100 O GLN A 75 -15.693 6.273 -7.032 1.00 3.14 O ATOM 1101 CB GLN A 75 -13.283 8.145 -7.737 1.00 3.27 C ATOM 1102 CG GLN A 75 -13.835 9.469 -7.251 1.00 3.83 C ATOM 1103 CD GLN A 75 -13.518 10.615 -8.194 1.00 4.50 C ATOM 1104 OE1 GLN A 75 -13.390 10.421 -9.403 1.00 4.86 O ATOM 1105 NE2 GLN A 75 -13.390 11.816 -7.643 1.00 5.13 N ATOM 0 H GLN A 75 -12.955 5.717 -8.302 1.00 1.95 H new ATOM 0 HA GLN A 75 -12.842 7.247 -5.836 1.00 2.53 H new ATOM 0 HB2 GLN A 75 -12.228 8.268 -7.981 1.00 3.27 H new ATOM 0 HB3 GLN A 75 -13.793 7.865 -8.659 1.00 3.27 H new ATOM 0 HG2 GLN A 75 -14.916 9.387 -7.135 1.00 3.83 H new ATOM 0 HG3 GLN A 75 -13.424 9.690 -6.266 1.00 3.83 H new ATOM 0 HE21 GLN A 75 -13.505 11.930 -6.636 1.00 5.13 H new ATOM 0 HE22 GLN A 75 -13.177 12.625 -8.227 1.00 5.13 H new TER 1112 GLN A 75