USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=15 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+ -122:sc= 0.101 (180deg=-0.129) USER MOD Single : A 2 GLN : amide:sc= -0.0999 K(o=-0.1,f=-0.83) 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+ 136:sc= -0.0507 (180deg=-0.261) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -130:sc= 0.0807 USER MOD Single : A 19 SER OG : rot 180:sc= -0.159 USER MOD Single : A 22 TYR OH : rot 180:sc= -0.086 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 171:sc=-0.00382 (180deg=-0.123) USER MOD Single : A 28 SER OG : rot -83:sc= -1.71! USER MOD Single : A 31 MET CE :methyl -155:sc= -0.982 (180deg=-2.58!) USER MOD Single : A 35 SER OG : rot 180:sc= -0.15 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -2.55! K(o=-2.6!,f=-1.9) USER MOD Single : A 50 HIS : no HD1:sc= -3.07 X(o=-3.1,f=-2.9!) USER MOD Single : A 53 THR OG1 : rot -14:sc= 0.35 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= -0.252 X(o=-0.25,f=-0.054) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.327 10.049 -5.730 1.00 3.33 N ATOM 2 CA MET A 1 1.962 11.310 -5.033 1.00 2.78 C ATOM 3 C MET A 1 1.690 11.059 -3.554 1.00 2.08 C ATOM 4 O MET A 1 1.704 9.916 -3.094 1.00 2.36 O ATOM 5 CB MET A 1 0.731 11.938 -5.690 1.00 2.93 C ATOM 6 CG MET A 1 0.975 12.411 -7.113 1.00 3.53 C ATOM 7 SD MET A 1 -0.488 13.153 -7.861 1.00 4.37 S ATOM 8 CE MET A 1 0.161 13.652 -9.454 1.00 5.17 C ATOM 0 H1 MET A 1 3.264 10.153 -6.168 1.00 3.33 H new ATOM 0 H2 MET A 1 2.350 9.268 -5.044 1.00 3.33 H new ATOM 0 H3 MET A 1 1.622 9.843 -6.466 1.00 3.33 H new ATOM 0 HA MET A 1 2.804 11.998 -5.115 1.00 2.78 H new ATOM 0 HB2 MET A 1 -0.080 11.210 -5.692 1.00 2.93 H new ATOM 0 HB3 MET A 1 0.399 12.783 -5.087 1.00 2.93 H new ATOM 0 HG2 MET A 1 1.787 13.138 -7.116 1.00 3.53 H new ATOM 0 HG3 MET A 1 1.300 11.567 -7.721 1.00 3.53 H new ATOM 0 HE1 MET A 1 -0.628 14.129 -10.035 1.00 5.17 H new ATOM 0 HE2 MET A 1 0.980 14.356 -9.309 1.00 5.17 H new ATOM 0 HE3 MET A 1 0.526 12.775 -9.989 1.00 5.17 H new ATOM 18 N GLN A 2 1.440 12.134 -2.813 1.00 1.56 N ATOM 19 CA GLN A 2 1.167 12.032 -1.383 1.00 0.99 C ATOM 20 C GLN A 2 0.059 11.021 -1.105 1.00 0.83 C ATOM 21 O GLN A 2 -0.832 10.815 -1.929 1.00 1.25 O ATOM 22 CB GLN A 2 0.777 13.402 -0.822 1.00 1.05 C ATOM 23 CG GLN A 2 1.885 14.437 -0.914 1.00 1.64 C ATOM 24 CD GLN A 2 3.094 14.071 -0.074 1.00 2.33 C ATOM 25 OE1 GLN A 2 2.970 13.416 0.961 1.00 2.91 O ATOM 26 NE2 GLN A 2 4.271 14.497 -0.514 1.00 2.94 N ATOM 0 H GLN A 2 1.421 13.086 -3.179 1.00 1.56 H new ATOM 0 HA GLN A 2 2.075 11.686 -0.890 1.00 0.99 H new ATOM 0 HB2 GLN A 2 -0.097 13.770 -1.360 1.00 1.05 H new ATOM 0 HB3 GLN A 2 0.484 13.288 0.222 1.00 1.05 H new ATOM 0 HG2 GLN A 2 2.190 14.547 -1.955 1.00 1.64 H new ATOM 0 HG3 GLN A 2 1.501 15.405 -0.591 1.00 1.64 H new ATOM 0 HE21 GLN A 2 4.328 15.037 -1.377 1.00 2.94 H new ATOM 0 HE22 GLN A 2 5.119 14.284 0.011 1.00 2.94 H new ATOM 33 N PHE A 3 0.124 10.391 0.064 1.00 0.64 N ATOM 34 CA PHE A 3 -0.871 9.403 0.460 1.00 0.59 C ATOM 35 C PHE A 3 -1.194 9.527 1.945 1.00 0.50 C ATOM 36 O PHE A 3 -0.413 9.107 2.799 1.00 0.55 O ATOM 37 CB PHE A 3 -0.375 7.991 0.144 1.00 0.80 C ATOM 38 CG PHE A 3 1.045 7.742 0.574 1.00 0.75 C ATOM 39 CD1 PHE A 3 2.106 8.231 -0.172 1.00 0.80 C ATOM 40 CD2 PHE A 3 1.315 7.021 1.726 1.00 1.47 C ATOM 41 CE1 PHE A 3 3.410 8.005 0.225 1.00 1.39 C ATOM 42 CE2 PHE A 3 2.618 6.791 2.126 1.00 2.25 C ATOM 43 CZ PHE A 3 3.671 7.278 1.359 1.00 2.18 C ATOM 0 H PHE A 3 0.858 10.549 0.755 1.00 0.64 H new ATOM 0 HA PHE A 3 -1.782 9.591 -0.108 1.00 0.59 H new ATOM 0 HB2 PHE A 3 -1.027 7.268 0.634 1.00 0.80 H new ATOM 0 HB3 PHE A 3 -0.457 7.818 -0.929 1.00 0.80 H new ATOM 0 HD1 PHE A 3 1.911 8.794 -1.073 1.00 0.80 H new ATOM 0 HD2 PHE A 3 0.498 6.634 2.318 1.00 1.47 H new ATOM 0 HE1 PHE A 3 4.227 8.402 -0.359 1.00 1.39 H new ATOM 0 HE2 PHE A 3 2.818 6.235 3.030 1.00 2.25 H new ATOM 0 HZ PHE A 3 4.691 7.084 1.655 1.00 2.18 H new ATOM 52 N THR A 4 -2.351 10.108 2.246 1.00 0.53 N ATOM 53 CA THR A 4 -2.778 10.291 3.629 1.00 0.49 C ATOM 54 C THR A 4 -3.501 9.054 4.153 1.00 0.45 C ATOM 55 O THR A 4 -4.045 8.268 3.378 1.00 0.45 O ATOM 56 CB THR A 4 -3.706 11.511 3.771 1.00 0.57 C ATOM 57 OG1 THR A 4 -4.819 11.389 2.879 1.00 0.61 O ATOM 58 CG2 THR A 4 -2.953 12.799 3.480 1.00 0.66 C ATOM 0 H THR A 4 -3.010 10.460 1.551 1.00 0.53 H new ATOM 0 HA THR A 4 -1.876 10.456 4.218 1.00 0.49 H new ATOM 0 HB THR A 4 -4.069 11.545 4.798 1.00 0.57 H new ATOM 0 HG1 THR A 4 -5.404 12.169 2.978 1.00 0.61 H new ATOM 0 HG21 THR A 4 -3.629 13.648 3.586 1.00 0.66 H new ATOM 0 HG22 THR A 4 -2.126 12.903 4.182 1.00 0.66 H new ATOM 0 HG23 THR A 4 -2.564 12.771 2.462 1.00 0.66 H new ATOM 66 N PRO A 5 -3.514 8.868 5.485 1.00 0.47 N ATOM 67 CA PRO A 5 -4.174 7.721 6.117 1.00 0.51 C ATOM 68 C PRO A 5 -5.693 7.852 6.110 1.00 0.51 C ATOM 69 O PRO A 5 -6.282 8.413 7.034 1.00 0.65 O ATOM 70 CB PRO A 5 -3.642 7.759 7.548 1.00 0.62 C ATOM 71 CG PRO A 5 -3.346 9.198 7.798 1.00 0.58 C ATOM 72 CD PRO A 5 -2.886 9.761 6.481 1.00 0.53 C ATOM 0 HA PRO A 5 -3.967 6.788 5.593 1.00 0.51 H new ATOM 0 HB2 PRO A 5 -4.378 7.376 8.255 1.00 0.62 H new ATOM 0 HB3 PRO A 5 -2.748 7.145 7.655 1.00 0.62 H new ATOM 0 HG2 PRO A 5 -4.231 9.722 8.158 1.00 0.58 H new ATOM 0 HG3 PRO A 5 -2.576 9.311 8.561 1.00 0.58 H new ATOM 0 HD2 PRO A 5 -3.207 10.795 6.352 1.00 0.53 H new ATOM 0 HD3 PRO A 5 -1.799 9.753 6.399 1.00 0.53 H new ATOM 77 N ASP A 6 -6.322 7.334 5.061 1.00 0.74 N ATOM 78 CA ASP A 6 -7.773 7.392 4.931 1.00 0.84 C ATOM 79 C ASP A 6 -8.224 6.761 3.617 1.00 0.71 C ATOM 80 O ASP A 6 -9.205 6.019 3.577 1.00 0.67 O ATOM 81 CB ASP A 6 -8.253 8.843 5.005 1.00 1.07 C ATOM 82 CG ASP A 6 -9.751 8.967 4.811 1.00 2.06 C ATOM 83 OD1 ASP A 6 -10.198 9.008 3.646 1.00 2.51 O ATOM 84 OD2 ASP A 6 -10.479 9.025 5.825 1.00 2.69 O ATOM 0 H ASP A 6 -5.849 6.868 4.287 1.00 0.74 H new ATOM 0 HA ASP A 6 -8.212 6.829 5.754 1.00 0.84 H new ATOM 0 HB2 ASP A 6 -7.979 9.265 5.972 1.00 1.07 H new ATOM 0 HB3 ASP A 6 -7.741 9.431 4.244 1.00 1.07 H new ATOM 88 N SER A 7 -7.497 7.062 2.546 1.00 0.77 N ATOM 89 CA SER A 7 -7.818 6.527 1.229 1.00 0.72 C ATOM 90 C SER A 7 -7.059 5.230 0.968 1.00 0.54 C ATOM 91 O SER A 7 -5.898 5.090 1.354 1.00 0.67 O ATOM 92 CB SER A 7 -7.484 7.553 0.144 1.00 0.96 C ATOM 93 OG SER A 7 -8.223 8.749 0.328 1.00 1.89 O ATOM 0 H SER A 7 -6.681 7.674 2.565 1.00 0.77 H new ATOM 0 HA SER A 7 -8.886 6.313 1.202 1.00 0.72 H new ATOM 0 HB2 SER A 7 -6.417 7.774 0.165 1.00 0.96 H new ATOM 0 HB3 SER A 7 -7.704 7.133 -0.838 1.00 0.96 H new ATOM 0 HG SER A 7 -7.990 9.389 -0.377 1.00 1.89 H new ATOM 98 N ALA A 8 -7.722 4.283 0.314 1.00 0.47 N ATOM 99 CA ALA A 8 -7.110 2.998 0.002 1.00 0.35 C ATOM 100 C ALA A 8 -6.169 3.114 -1.192 1.00 0.31 C ATOM 101 O ALA A 8 -6.214 4.093 -1.938 1.00 0.38 O ATOM 102 CB ALA A 8 -8.185 1.957 -0.269 1.00 0.44 C ATOM 0 H ALA A 8 -8.684 4.382 -0.010 1.00 0.47 H new ATOM 0 HA ALA A 8 -6.522 2.683 0.864 1.00 0.35 H new ATOM 0 HB1 ALA A 8 -7.716 1.001 -0.501 1.00 0.44 H new ATOM 0 HB2 ALA A 8 -8.816 1.847 0.613 1.00 0.44 H new ATOM 0 HB3 ALA A 8 -8.795 2.276 -1.114 1.00 0.44 H new ATOM 108 N TRP A 9 -5.318 2.110 -1.367 1.00 0.30 N ATOM 109 CA TRP A 9 -4.366 2.097 -2.472 1.00 0.30 C ATOM 110 C TRP A 9 -4.102 0.670 -2.937 1.00 0.32 C ATOM 111 O TRP A 9 -4.504 -0.291 -2.281 1.00 0.39 O ATOM 112 CB TRP A 9 -3.055 2.760 -2.050 1.00 0.34 C ATOM 113 CG TRP A 9 -3.244 4.127 -1.470 1.00 0.35 C ATOM 114 CD1 TRP A 9 -3.644 4.429 -0.200 1.00 0.40 C ATOM 115 CD2 TRP A 9 -3.045 5.378 -2.137 1.00 0.42 C ATOM 116 NE1 TRP A 9 -3.707 5.791 -0.037 1.00 0.41 N ATOM 117 CE2 TRP A 9 -3.344 6.396 -1.211 1.00 0.42 C ATOM 118 CE3 TRP A 9 -2.644 5.737 -3.427 1.00 0.56 C ATOM 119 CZ2 TRP A 9 -3.253 7.748 -1.535 1.00 0.52 C ATOM 120 CZ3 TRP A 9 -2.554 7.079 -3.747 1.00 0.69 C ATOM 121 CH2 TRP A 9 -2.857 8.069 -2.804 1.00 0.66 C ATOM 0 H TRP A 9 -5.267 1.294 -0.758 1.00 0.30 H new ATOM 0 HA TRP A 9 -4.796 2.659 -3.301 1.00 0.30 H new ATOM 0 HB2 TRP A 9 -2.555 2.127 -1.316 1.00 0.34 H new ATOM 0 HB3 TRP A 9 -2.395 2.828 -2.915 1.00 0.34 H new ATOM 0 HD1 TRP A 9 -3.877 3.703 0.565 1.00 0.40 H new ATOM 0 HE1 TRP A 9 -3.980 6.274 0.819 1.00 0.41 H new ATOM 0 HE3 TRP A 9 -2.409 4.980 -4.160 1.00 0.56 H new ATOM 0 HZ2 TRP A 9 -3.487 8.514 -0.811 1.00 0.52 H new ATOM 0 HZ3 TRP A 9 -2.245 7.369 -4.740 1.00 0.69 H new ATOM 0 HH2 TRP A 9 -2.776 9.109 -3.085 1.00 0.66 H new ATOM 131 N LYS A 10 -3.423 0.537 -4.071 1.00 0.34 N ATOM 132 CA LYS A 10 -3.109 -0.777 -4.616 1.00 0.37 C ATOM 133 C LYS A 10 -1.603 -1.025 -4.619 1.00 0.34 C ATOM 134 O LYS A 10 -0.820 -0.143 -4.974 1.00 0.34 O ATOM 135 CB LYS A 10 -3.665 -0.913 -6.034 1.00 0.43 C ATOM 136 CG LYS A 10 -5.175 -1.082 -6.082 1.00 1.01 C ATOM 137 CD LYS A 10 -5.680 -1.194 -7.511 1.00 1.03 C ATOM 138 CE LYS A 10 -7.164 -1.525 -7.553 1.00 1.28 C ATOM 139 NZ LYS A 10 -7.977 -0.530 -6.802 1.00 2.04 N ATOM 0 H LYS A 10 -3.081 1.320 -4.628 1.00 0.34 H new ATOM 0 HA LYS A 10 -3.578 -1.525 -3.977 1.00 0.37 H new ATOM 0 HB2 LYS A 10 -3.388 -0.030 -6.610 1.00 0.43 H new ATOM 0 HB3 LYS A 10 -3.196 -1.770 -6.518 1.00 0.43 H new ATOM 0 HG2 LYS A 10 -5.460 -1.974 -5.524 1.00 1.01 H new ATOM 0 HG3 LYS A 10 -5.652 -0.233 -5.592 1.00 1.01 H new ATOM 0 HD2 LYS A 10 -5.500 -0.256 -8.036 1.00 1.03 H new ATOM 0 HD3 LYS A 10 -5.119 -1.966 -8.037 1.00 1.03 H new ATOM 0 HE2 LYS A 10 -7.499 -1.559 -8.590 1.00 1.28 H new ATOM 0 HE3 LYS A 10 -7.326 -2.518 -7.133 1.00 1.28 H new ATOM 0 HZ1 LYS A 10 -8.820 -0.281 -7.357 1.00 2.04 H new ATOM 0 HZ2 LYS A 10 -8.270 -0.938 -5.891 1.00 2.04 H new ATOM 0 HZ3 LYS A 10 -7.409 0.325 -6.632 1.00 2.04 H new ATOM 149 N ILE A 11 -1.207 -2.232 -4.224 1.00 0.36 N ATOM 150 CA ILE A 11 0.202 -2.598 -4.181 1.00 0.36 C ATOM 151 C ILE A 11 0.722 -2.929 -5.575 1.00 0.32 C ATOM 152 O ILE A 11 0.192 -3.813 -6.252 1.00 0.38 O ATOM 153 CB ILE A 11 0.446 -3.807 -3.254 1.00 0.41 C ATOM 154 CG1 ILE A 11 -0.056 -3.508 -1.841 1.00 0.48 C ATOM 155 CG2 ILE A 11 1.923 -4.172 -3.230 1.00 0.43 C ATOM 156 CD1 ILE A 11 0.240 -4.611 -0.851 1.00 0.56 C ATOM 0 H ILE A 11 -1.844 -2.972 -3.929 1.00 0.36 H new ATOM 0 HA ILE A 11 0.740 -1.736 -3.786 1.00 0.36 H new ATOM 0 HB ILE A 11 -0.112 -4.658 -3.644 1.00 0.41 H new ATOM 0 HG12 ILE A 11 0.401 -2.583 -1.490 1.00 0.48 H new ATOM 0 HG13 ILE A 11 -1.132 -3.339 -1.874 1.00 0.48 H new ATOM 0 HG21 ILE A 11 2.076 -5.027 -2.571 1.00 0.43 H new ATOM 0 HG22 ILE A 11 2.251 -4.427 -4.238 1.00 0.43 H new ATOM 0 HG23 ILE A 11 2.502 -3.324 -2.864 1.00 0.43 H new ATOM 0 HD11 ILE A 11 -0.144 -4.332 0.130 1.00 0.56 H new ATOM 0 HD12 ILE A 11 -0.240 -5.533 -1.179 1.00 0.56 H new ATOM 0 HD13 ILE A 11 1.317 -4.765 -0.789 1.00 0.56 H new ATOM 167 N THR A 12 1.763 -2.215 -5.994 1.00 0.28 N ATOM 168 CA THR A 12 2.366 -2.428 -7.304 1.00 0.27 C ATOM 169 C THR A 12 3.887 -2.430 -7.206 1.00 0.27 C ATOM 170 O THR A 12 4.571 -1.712 -7.936 1.00 0.30 O ATOM 171 CB THR A 12 1.922 -1.347 -8.310 1.00 0.30 C ATOM 172 OG1 THR A 12 0.491 -1.268 -8.344 1.00 0.91 O ATOM 173 CG2 THR A 12 2.446 -1.656 -9.705 1.00 0.97 C ATOM 0 H THR A 12 2.207 -1.481 -5.442 1.00 0.28 H new ATOM 0 HA THR A 12 2.025 -3.400 -7.661 1.00 0.27 H new ATOM 0 HB THR A 12 2.334 -0.391 -7.986 1.00 0.30 H new ATOM 0 HG1 THR A 12 0.217 -0.578 -8.984 1.00 0.91 H new ATOM 0 HG21 THR A 12 2.120 -0.879 -10.397 1.00 0.97 H new ATOM 0 HG22 THR A 12 3.535 -1.690 -9.685 1.00 0.97 H new ATOM 0 HG23 THR A 12 2.059 -2.620 -10.034 1.00 0.97 H new ATOM 181 N GLY A 13 4.411 -3.237 -6.290 1.00 0.29 N ATOM 182 CA GLY A 13 5.848 -3.323 -6.105 1.00 0.33 C ATOM 183 C GLY A 13 6.591 -3.553 -7.406 1.00 0.37 C ATOM 184 O GLY A 13 6.717 -4.687 -7.865 1.00 0.45 O ATOM 0 H GLY A 13 3.864 -3.835 -5.670 1.00 0.29 H new ATOM 0 HA2 GLY A 13 6.207 -2.403 -5.644 1.00 0.33 H new ATOM 0 HA3 GLY A 13 6.074 -4.135 -5.414 1.00 0.33 H new ATOM 188 N PHE A 14 7.082 -2.472 -8.001 1.00 0.34 N ATOM 189 CA PHE A 14 7.819 -2.556 -9.255 1.00 0.41 C ATOM 190 C PHE A 14 8.898 -1.479 -9.323 1.00 0.39 C ATOM 191 O PHE A 14 8.629 -0.342 -9.711 1.00 0.43 O ATOM 192 CB PHE A 14 6.865 -2.415 -10.442 1.00 0.50 C ATOM 193 CG PHE A 14 7.538 -2.562 -11.776 1.00 0.60 C ATOM 194 CD1 PHE A 14 7.677 -3.811 -12.362 1.00 0.70 C ATOM 195 CD2 PHE A 14 8.032 -1.455 -12.444 1.00 0.69 C ATOM 196 CE1 PHE A 14 8.295 -3.952 -13.589 1.00 0.81 C ATOM 197 CE2 PHE A 14 8.652 -1.589 -13.673 1.00 0.79 C ATOM 198 CZ PHE A 14 8.784 -2.839 -14.245 1.00 0.81 C ATOM 0 H PHE A 14 6.982 -1.526 -7.634 1.00 0.34 H new ATOM 0 HA PHE A 14 8.301 -3.532 -9.301 1.00 0.41 H new ATOM 0 HB2 PHE A 14 6.079 -3.165 -10.357 1.00 0.50 H new ATOM 0 HB3 PHE A 14 6.381 -1.440 -10.394 1.00 0.50 H new ATOM 0 HD1 PHE A 14 7.297 -4.684 -11.853 1.00 0.70 H new ATOM 0 HD2 PHE A 14 7.932 -0.475 -12.000 1.00 0.69 H new ATOM 0 HE1 PHE A 14 8.396 -4.931 -14.035 1.00 0.81 H new ATOM 0 HE2 PHE A 14 9.032 -0.717 -14.185 1.00 0.79 H new ATOM 0 HZ PHE A 14 9.269 -2.946 -15.204 1.00 0.81 H new ATOM 207 N SER A 15 10.118 -1.843 -8.937 1.00 0.40 N ATOM 208 CA SER A 15 11.233 -0.904 -8.955 1.00 0.41 C ATOM 209 C SER A 15 12.172 -1.198 -10.119 1.00 0.43 C ATOM 210 O SER A 15 11.879 -2.032 -10.974 1.00 0.48 O ATOM 211 CB SER A 15 12.008 -0.968 -7.638 1.00 0.39 C ATOM 212 OG SER A 15 13.012 0.031 -7.587 1.00 0.76 O ATOM 0 H SER A 15 10.358 -2.779 -8.609 1.00 0.40 H new ATOM 0 HA SER A 15 10.825 0.099 -9.080 1.00 0.41 H new ATOM 0 HB2 SER A 15 11.321 -0.840 -6.802 1.00 0.39 H new ATOM 0 HB3 SER A 15 12.464 -1.952 -7.528 1.00 0.39 H new ATOM 0 HG SER A 15 13.865 -0.375 -7.327 1.00 0.76 H new ATOM 217 N ARG A 16 13.306 -0.504 -10.143 1.00 0.57 N ATOM 218 CA ARG A 16 14.294 -0.684 -11.199 1.00 0.61 C ATOM 219 C ARG A 16 15.247 -1.830 -10.873 1.00 0.59 C ATOM 220 O ARG A 16 15.878 -2.396 -11.765 1.00 0.63 O ATOM 221 CB ARG A 16 15.085 0.609 -11.410 1.00 0.69 C ATOM 222 CG ARG A 16 14.259 1.751 -11.983 1.00 1.14 C ATOM 223 CD ARG A 16 13.125 2.149 -11.053 1.00 1.37 C ATOM 224 NE ARG A 16 12.496 3.403 -11.462 1.00 2.19 N ATOM 225 CZ ARG A 16 11.389 3.887 -10.909 1.00 2.67 C ATOM 226 NH1 ARG A 16 10.787 3.224 -9.930 1.00 2.41 N ATOM 227 NH2 ARG A 16 10.883 5.037 -11.332 1.00 3.58 N ATOM 0 H ARG A 16 13.563 0.190 -9.441 1.00 0.57 H new ATOM 0 HA ARG A 16 13.762 -0.933 -12.117 1.00 0.61 H new ATOM 0 HB2 ARG A 16 15.509 0.923 -10.456 1.00 0.69 H new ATOM 0 HB3 ARG A 16 15.921 0.407 -12.080 1.00 0.69 H new ATOM 0 HG2 ARG A 16 14.903 2.612 -12.160 1.00 1.14 H new ATOM 0 HG3 ARG A 16 13.850 1.455 -12.949 1.00 1.14 H new ATOM 0 HD2 ARG A 16 12.376 1.357 -11.035 1.00 1.37 H new ATOM 0 HD3 ARG A 16 13.508 2.250 -10.037 1.00 1.37 H new ATOM 0 HE ARG A 16 12.931 3.937 -12.214 1.00 2.19 H new ATOM 0 HH11 ARG A 16 11.174 2.340 -9.600 1.00 2.41 H new ATOM 0 HH12 ARG A 16 9.937 3.598 -9.508 1.00 2.41 H new ATOM 0 HH21 ARG A 16 11.344 5.551 -12.083 1.00 3.58 H new ATOM 0 HH22 ARG A 16 10.033 5.407 -10.907 1.00 3.58 H new ATOM 238 N ASP A 17 15.353 -2.166 -9.590 1.00 0.58 N ATOM 239 CA ASP A 17 16.235 -3.243 -9.154 1.00 0.63 C ATOM 240 C ASP A 17 15.782 -3.818 -7.814 1.00 0.57 C ATOM 241 O ASP A 17 16.605 -4.240 -7.001 1.00 0.62 O ATOM 242 CB ASP A 17 17.673 -2.735 -9.045 1.00 0.77 C ATOM 243 CG ASP A 17 18.253 -2.349 -10.392 1.00 1.61 C ATOM 244 OD1 ASP A 17 18.014 -1.207 -10.836 1.00 2.48 O ATOM 245 OD2 ASP A 17 18.944 -3.191 -11.003 1.00 1.86 O ATOM 0 H ASP A 17 14.840 -1.709 -8.836 1.00 0.58 H new ATOM 0 HA ASP A 17 16.190 -4.038 -9.898 1.00 0.63 H new ATOM 0 HB2 ASP A 17 17.701 -1.872 -8.380 1.00 0.77 H new ATOM 0 HB3 ASP A 17 18.295 -3.507 -8.592 1.00 0.77 H new ATOM 249 N ILE A 18 14.470 -3.840 -7.592 1.00 0.51 N ATOM 250 CA ILE A 18 13.909 -4.367 -6.351 1.00 0.50 C ATOM 251 C ILE A 18 14.536 -5.711 -5.986 1.00 0.50 C ATOM 252 O ILE A 18 14.489 -6.661 -6.766 1.00 0.57 O ATOM 253 CB ILE A 18 12.379 -4.537 -6.454 1.00 0.48 C ATOM 254 CG1 ILE A 18 11.811 -5.107 -5.150 1.00 0.52 C ATOM 255 CG2 ILE A 18 12.023 -5.434 -7.629 1.00 0.47 C ATOM 256 CD1 ILE A 18 10.331 -5.413 -5.218 1.00 0.56 C ATOM 0 H ILE A 18 13.775 -3.499 -8.256 1.00 0.51 H new ATOM 0 HA ILE A 18 14.136 -3.642 -5.570 1.00 0.50 H new ATOM 0 HB ILE A 18 11.934 -3.556 -6.621 1.00 0.48 H new ATOM 0 HG12 ILE A 18 12.351 -6.019 -4.896 1.00 0.52 H new ATOM 0 HG13 ILE A 18 11.990 -4.396 -4.344 1.00 0.52 H new ATOM 0 HG21 ILE A 18 10.940 -5.544 -7.688 1.00 0.47 H new ATOM 0 HG22 ILE A 18 12.393 -4.988 -8.552 1.00 0.47 H new ATOM 0 HG23 ILE A 18 12.480 -6.414 -7.490 1.00 0.47 H new ATOM 0 HD11 ILE A 18 9.998 -5.813 -4.260 1.00 0.56 H new ATOM 0 HD12 ILE A 18 9.780 -4.499 -5.441 1.00 0.56 H new ATOM 0 HD13 ILE A 18 10.147 -6.148 -6.002 1.00 0.56 H new ATOM 267 N SER A 19 15.123 -5.782 -4.795 1.00 0.57 N ATOM 268 CA SER A 19 15.755 -7.011 -4.327 1.00 0.59 C ATOM 269 C SER A 19 14.706 -8.018 -3.863 1.00 0.52 C ATOM 270 O SER A 19 13.595 -7.640 -3.488 1.00 0.50 O ATOM 271 CB SER A 19 16.731 -6.710 -3.188 1.00 0.70 C ATOM 272 OG SER A 19 16.069 -6.092 -2.098 1.00 1.50 O ATOM 0 H SER A 19 15.174 -5.004 -4.137 1.00 0.57 H new ATOM 0 HA SER A 19 16.307 -7.445 -5.160 1.00 0.59 H new ATOM 0 HB2 SER A 19 17.202 -7.635 -2.854 1.00 0.70 H new ATOM 0 HB3 SER A 19 17.527 -6.060 -3.550 1.00 0.70 H new ATOM 0 HG SER A 19 16.714 -5.912 -1.383 1.00 1.50 H new ATOM 277 N PRO A 20 15.045 -9.319 -3.884 1.00 0.54 N ATOM 278 CA PRO A 20 14.127 -10.382 -3.462 1.00 0.51 C ATOM 279 C PRO A 20 13.742 -10.270 -1.992 1.00 0.53 C ATOM 280 O PRO A 20 12.651 -10.673 -1.596 1.00 0.51 O ATOM 281 CB PRO A 20 14.918 -11.669 -3.708 1.00 0.55 C ATOM 282 CG PRO A 20 16.344 -11.245 -3.747 1.00 0.61 C ATOM 283 CD PRO A 20 16.344 -9.857 -4.320 1.00 0.61 C ATOM 0 HA PRO A 20 13.185 -10.337 -4.008 1.00 0.51 H new ATOM 0 HB2 PRO A 20 14.744 -12.396 -2.915 1.00 0.55 H new ATOM 0 HB3 PRO A 20 14.621 -12.141 -4.644 1.00 0.55 H new ATOM 0 HG2 PRO A 20 16.782 -11.256 -2.749 1.00 0.61 H new ATOM 0 HG3 PRO A 20 16.936 -11.922 -4.363 1.00 0.61 H new ATOM 0 HD2 PRO A 20 17.175 -9.263 -3.939 1.00 0.61 H new ATOM 0 HD3 PRO A 20 16.432 -9.869 -5.406 1.00 0.61 H new ATOM 288 N ALA A 21 14.644 -9.727 -1.183 1.00 0.58 N ATOM 289 CA ALA A 21 14.378 -9.563 0.239 1.00 0.64 C ATOM 290 C ALA A 21 13.056 -8.834 0.452 1.00 0.62 C ATOM 291 O ALA A 21 12.233 -9.240 1.272 1.00 0.65 O ATOM 292 CB ALA A 21 15.517 -8.808 0.907 1.00 0.71 C ATOM 0 H ALA A 21 15.560 -9.395 -1.486 1.00 0.58 H new ATOM 0 HA ALA A 21 14.304 -10.550 0.695 1.00 0.64 H new ATOM 0 HB1 ALA A 21 15.304 -8.693 1.970 1.00 0.71 H new ATOM 0 HB2 ALA A 21 16.446 -9.365 0.781 1.00 0.71 H new ATOM 0 HB3 ALA A 21 15.619 -7.824 0.449 1.00 0.71 H new ATOM 298 N TYR A 22 12.863 -7.753 -0.295 1.00 0.60 N ATOM 299 CA TYR A 22 11.642 -6.962 -0.203 1.00 0.61 C ATOM 300 C TYR A 22 10.550 -7.534 -1.103 1.00 0.54 C ATOM 301 O TYR A 22 9.360 -7.392 -0.819 1.00 0.57 O ATOM 302 CB TYR A 22 11.922 -5.507 -0.585 1.00 0.66 C ATOM 303 CG TYR A 22 12.848 -4.792 0.375 1.00 0.90 C ATOM 304 CD1 TYR A 22 14.222 -4.997 0.331 1.00 1.28 C ATOM 305 CD2 TYR A 22 12.347 -3.910 1.324 1.00 0.99 C ATOM 306 CE1 TYR A 22 15.069 -4.344 1.206 1.00 1.72 C ATOM 307 CE2 TYR A 22 13.187 -3.252 2.202 1.00 1.34 C ATOM 308 CZ TYR A 22 14.547 -3.473 2.139 1.00 1.72 C ATOM 309 OH TYR A 22 15.388 -2.821 3.012 1.00 2.17 O ATOM 0 H TYR A 22 13.540 -7.403 -0.974 1.00 0.60 H new ATOM 0 HA TYR A 22 11.293 -7.000 0.829 1.00 0.61 H new ATOM 0 HB2 TYR A 22 12.358 -5.481 -1.584 1.00 0.66 H new ATOM 0 HB3 TYR A 22 10.977 -4.966 -0.635 1.00 0.66 H new ATOM 0 HD1 TYR A 22 14.634 -5.678 -0.399 1.00 1.28 H new ATOM 0 HD2 TYR A 22 11.282 -3.735 1.377 1.00 0.99 H new ATOM 0 HE1 TYR A 22 16.134 -4.515 1.159 1.00 1.72 H new ATOM 0 HE2 TYR A 22 12.781 -2.569 2.933 1.00 1.34 H new ATOM 0 HH TYR A 22 14.862 -2.243 3.603 1.00 2.17 H new ATOM 318 N ARG A 23 10.961 -8.179 -2.192 1.00 0.48 N ATOM 319 CA ARG A 23 10.019 -8.766 -3.138 1.00 0.44 C ATOM 320 C ARG A 23 9.427 -10.062 -2.589 1.00 0.45 C ATOM 321 O ARG A 23 8.217 -10.165 -2.386 1.00 0.45 O ATOM 322 CB ARG A 23 10.715 -9.038 -4.475 1.00 0.45 C ATOM 323 CG ARG A 23 9.767 -9.099 -5.662 1.00 0.54 C ATOM 324 CD ARG A 23 8.547 -9.956 -5.363 1.00 0.53 C ATOM 325 NE ARG A 23 7.656 -10.066 -6.513 1.00 0.70 N ATOM 326 CZ ARG A 23 6.408 -10.517 -6.436 1.00 1.08 C ATOM 327 NH1 ARG A 23 5.906 -10.886 -5.265 1.00 1.57 N ATOM 328 NH2 ARG A 23 5.660 -10.598 -7.528 1.00 1.47 N ATOM 0 H ARG A 23 11.942 -8.308 -2.440 1.00 0.48 H new ATOM 0 HA ARG A 23 9.207 -8.055 -3.292 1.00 0.44 H new ATOM 0 HB2 ARG A 23 11.455 -8.258 -4.653 1.00 0.45 H new ATOM 0 HB3 ARG A 23 11.257 -9.981 -4.406 1.00 0.45 H new ATOM 0 HG2 ARG A 23 9.448 -8.091 -5.925 1.00 0.54 H new ATOM 0 HG3 ARG A 23 10.293 -9.503 -6.527 1.00 0.54 H new ATOM 0 HD2 ARG A 23 8.870 -10.952 -5.059 1.00 0.53 H new ATOM 0 HD3 ARG A 23 8.001 -9.528 -4.522 1.00 0.53 H new ATOM 0 HE ARG A 23 8.010 -9.781 -7.426 1.00 0.70 H new ATOM 0 HH11 ARG A 23 6.478 -10.824 -4.423 1.00 1.57 H new ATOM 0 HH12 ARG A 23 4.948 -11.232 -5.207 1.00 1.57 H new ATOM 0 HH21 ARG A 23 6.042 -10.314 -8.430 1.00 1.47 H new ATOM 0 HH22 ARG A 23 4.703 -10.944 -7.466 1.00 1.47 H new ATOM 339 N GLN A 24 10.285 -11.046 -2.348 1.00 0.49 N ATOM 340 CA GLN A 24 9.843 -12.335 -1.825 1.00 0.55 C ATOM 341 C GLN A 24 9.016 -12.154 -0.555 1.00 0.58 C ATOM 342 O GLN A 24 8.158 -12.979 -0.239 1.00 0.66 O ATOM 343 CB GLN A 24 11.048 -13.233 -1.538 1.00 0.69 C ATOM 344 CG GLN A 24 10.669 -14.631 -1.081 1.00 1.52 C ATOM 345 CD GLN A 24 11.879 -15.508 -0.824 1.00 2.03 C ATOM 346 OE1 GLN A 24 12.366 -16.193 -1.724 1.00 2.61 O ATOM 347 NE2 GLN A 24 12.370 -15.490 0.409 1.00 2.69 N ATOM 0 H GLN A 24 11.290 -10.977 -2.506 1.00 0.49 H new ATOM 0 HA GLN A 24 9.216 -12.809 -2.581 1.00 0.55 H new ATOM 0 HB2 GLN A 24 11.658 -13.307 -2.438 1.00 0.69 H new ATOM 0 HB3 GLN A 24 11.666 -12.764 -0.772 1.00 0.69 H new ATOM 0 HG2 GLN A 24 10.074 -14.563 -0.170 1.00 1.52 H new ATOM 0 HG3 GLN A 24 10.040 -15.099 -1.838 1.00 1.52 H new ATOM 0 HE21 GLN A 24 11.934 -14.907 1.123 1.00 2.69 H new ATOM 0 HE22 GLN A 24 13.184 -16.059 0.642 1.00 2.69 H new ATOM 354 N LYS A 25 9.281 -11.072 0.170 1.00 0.59 N ATOM 355 CA LYS A 25 8.567 -10.781 1.403 1.00 0.68 C ATOM 356 C LYS A 25 7.057 -10.857 1.196 1.00 0.61 C ATOM 357 O LYS A 25 6.313 -11.225 2.105 1.00 0.71 O ATOM 358 CB LYS A 25 8.955 -9.393 1.911 1.00 0.79 C ATOM 359 CG LYS A 25 8.494 -9.118 3.328 1.00 0.99 C ATOM 360 CD LYS A 25 8.965 -7.757 3.812 1.00 1.43 C ATOM 361 CE LYS A 25 8.476 -6.641 2.902 1.00 2.05 C ATOM 362 NZ LYS A 25 6.989 -6.586 2.842 1.00 2.59 N ATOM 0 H LYS A 25 9.989 -10.381 -0.079 1.00 0.59 H new ATOM 0 HA LYS A 25 8.845 -11.530 2.144 1.00 0.68 H new ATOM 0 HB2 LYS A 25 10.039 -9.287 1.863 1.00 0.79 H new ATOM 0 HB3 LYS A 25 8.531 -8.640 1.247 1.00 0.79 H new ATOM 0 HG2 LYS A 25 7.406 -9.165 3.373 1.00 0.99 H new ATOM 0 HG3 LYS A 25 8.875 -9.894 3.993 1.00 0.99 H new ATOM 0 HD2 LYS A 25 8.604 -7.585 4.826 1.00 1.43 H new ATOM 0 HD3 LYS A 25 10.054 -7.742 3.855 1.00 1.43 H new ATOM 0 HE2 LYS A 25 8.861 -5.686 3.260 1.00 2.05 H new ATOM 0 HE3 LYS A 25 8.875 -6.790 1.899 1.00 2.05 H new ATOM 0 HZ1 LYS A 25 6.693 -5.725 2.338 1.00 2.59 H new ATOM 0 HZ2 LYS A 25 6.631 -7.422 2.338 1.00 2.59 H new ATOM 0 HZ3 LYS A 25 6.603 -6.572 3.808 1.00 2.59 H new ATOM 372 N LEU A 26 6.610 -10.507 -0.007 1.00 0.55 N ATOM 373 CA LEU A 26 5.188 -10.533 -0.330 1.00 0.57 C ATOM 374 C LEU A 26 4.742 -11.930 -0.751 1.00 0.60 C ATOM 375 O LEU A 26 3.677 -12.399 -0.348 1.00 0.68 O ATOM 376 CB LEU A 26 4.878 -9.528 -1.443 1.00 0.55 C ATOM 377 CG LEU A 26 5.023 -8.056 -1.051 1.00 0.69 C ATOM 378 CD1 LEU A 26 6.458 -7.744 -0.650 1.00 1.30 C ATOM 379 CD2 LEU A 26 4.582 -7.157 -2.198 1.00 1.29 C ATOM 0 H LEU A 26 7.211 -10.203 -0.773 1.00 0.55 H new ATOM 0 HA LEU A 26 4.636 -10.255 0.568 1.00 0.57 H new ATOM 0 HB2 LEU A 26 5.538 -9.729 -2.287 1.00 0.55 H new ATOM 0 HB3 LEU A 26 3.858 -9.696 -1.789 1.00 0.55 H new ATOM 0 HG LEU A 26 4.380 -7.864 -0.192 1.00 0.69 H new ATOM 0 HD11 LEU A 26 6.539 -6.692 -0.375 1.00 1.30 H new ATOM 0 HD12 LEU A 26 6.741 -8.364 0.201 1.00 1.30 H new ATOM 0 HD13 LEU A 26 7.123 -7.952 -1.488 1.00 1.30 H new ATOM 0 HD21 LEU A 26 4.691 -6.113 -1.904 1.00 1.29 H new ATOM 0 HD22 LEU A 26 5.201 -7.354 -3.073 1.00 1.29 H new ATOM 0 HD23 LEU A 26 3.538 -7.359 -2.438 1.00 1.29 H new ATOM 390 N LEU A 27 5.562 -12.591 -1.563 1.00 0.59 N ATOM 391 CA LEU A 27 5.249 -13.932 -2.040 1.00 0.71 C ATOM 392 C LEU A 27 4.835 -14.845 -0.890 1.00 0.82 C ATOM 393 O LEU A 27 4.106 -15.817 -1.087 1.00 0.95 O ATOM 394 CB LEU A 27 6.449 -14.534 -2.774 1.00 0.75 C ATOM 395 CG LEU A 27 6.867 -13.799 -4.049 1.00 0.71 C ATOM 396 CD1 LEU A 27 8.011 -14.528 -4.733 1.00 0.82 C ATOM 397 CD2 LEU A 27 5.681 -13.658 -4.992 1.00 0.77 C ATOM 0 H LEU A 27 6.448 -12.219 -1.904 1.00 0.59 H new ATOM 0 HA LEU A 27 4.411 -13.849 -2.732 1.00 0.71 H new ATOM 0 HB2 LEU A 27 7.298 -14.556 -2.091 1.00 0.75 H new ATOM 0 HB3 LEU A 27 6.217 -15.568 -3.029 1.00 0.75 H new ATOM 0 HG LEU A 27 7.211 -12.801 -3.777 1.00 0.71 H new ATOM 0 HD11 LEU A 27 8.295 -13.991 -5.638 1.00 0.82 H new ATOM 0 HD12 LEU A 27 8.865 -14.579 -4.058 1.00 0.82 H new ATOM 0 HD13 LEU A 27 7.694 -15.538 -4.994 1.00 0.82 H new ATOM 0 HD21 LEU A 27 5.994 -13.133 -5.894 1.00 0.77 H new ATOM 0 HD22 LEU A 27 5.308 -14.647 -5.258 1.00 0.77 H new ATOM 0 HD23 LEU A 27 4.890 -13.093 -4.500 1.00 0.77 H new ATOM 408 N SER A 28 5.305 -14.526 0.311 1.00 0.84 N ATOM 409 CA SER A 28 4.984 -15.321 1.492 1.00 0.98 C ATOM 410 C SER A 28 3.495 -15.242 1.814 1.00 0.89 C ATOM 411 O SER A 28 2.889 -16.229 2.231 1.00 0.99 O ATOM 412 CB SER A 28 5.805 -14.845 2.690 1.00 1.15 C ATOM 413 OG SER A 28 5.571 -13.473 2.959 1.00 1.64 O ATOM 0 H SER A 28 5.909 -13.724 0.493 1.00 0.84 H new ATOM 0 HA SER A 28 5.235 -16.360 1.279 1.00 0.98 H new ATOM 0 HB2 SER A 28 5.550 -15.439 3.568 1.00 1.15 H new ATOM 0 HB3 SER A 28 6.865 -15.004 2.494 1.00 1.15 H new ATOM 0 HG SER A 28 6.128 -12.924 2.369 1.00 1.64 H new ATOM 418 N LEU A 29 2.910 -14.065 1.619 1.00 0.78 N ATOM 419 CA LEU A 29 1.490 -13.864 1.888 1.00 0.78 C ATOM 420 C LEU A 29 0.656 -14.138 0.641 1.00 0.74 C ATOM 421 O LEU A 29 -0.531 -14.452 0.734 1.00 0.82 O ATOM 422 CB LEU A 29 1.238 -12.440 2.386 1.00 0.86 C ATOM 423 CG LEU A 29 1.797 -12.129 3.775 1.00 1.06 C ATOM 424 CD1 LEU A 29 3.303 -12.337 3.802 1.00 1.64 C ATOM 425 CD2 LEU A 29 1.448 -10.707 4.186 1.00 1.42 C ATOM 0 H LEU A 29 3.396 -13.236 1.276 1.00 0.78 H new ATOM 0 HA LEU A 29 1.190 -14.568 2.664 1.00 0.78 H new ATOM 0 HB2 LEU A 29 1.672 -11.740 1.672 1.00 0.86 H new ATOM 0 HB3 LEU A 29 0.163 -12.260 2.396 1.00 0.86 H new ATOM 0 HG LEU A 29 1.341 -12.814 4.490 1.00 1.06 H new ATOM 0 HD11 LEU A 29 3.684 -12.111 4.798 1.00 1.64 H new ATOM 0 HD12 LEU A 29 3.532 -13.373 3.552 1.00 1.64 H new ATOM 0 HD13 LEU A 29 3.775 -11.676 3.075 1.00 1.64 H new ATOM 0 HD21 LEU A 29 1.854 -10.505 5.177 1.00 1.42 H new ATOM 0 HD22 LEU A 29 1.875 -10.006 3.469 1.00 1.42 H new ATOM 0 HD23 LEU A 29 0.365 -10.590 4.207 1.00 1.42 H new ATOM 436 N GLY A 30 1.282 -14.013 -0.526 1.00 0.68 N ATOM 437 CA GLY A 30 0.579 -14.254 -1.772 1.00 0.73 C ATOM 438 C GLY A 30 0.070 -12.976 -2.406 1.00 0.71 C ATOM 439 O GLY A 30 -0.872 -13.000 -3.198 1.00 0.82 O ATOM 0 H GLY A 30 2.262 -13.750 -0.630 1.00 0.68 H new ATOM 0 HA2 GLY A 30 1.245 -14.762 -2.469 1.00 0.73 H new ATOM 0 HA3 GLY A 30 -0.261 -14.924 -1.588 1.00 0.73 H new ATOM 443 N MET A 31 0.692 -11.855 -2.057 1.00 0.63 N ATOM 444 CA MET A 31 0.297 -10.561 -2.599 1.00 0.66 C ATOM 445 C MET A 31 1.206 -10.158 -3.755 1.00 0.56 C ATOM 446 O MET A 31 2.315 -9.666 -3.546 1.00 0.54 O ATOM 447 CB MET A 31 0.334 -9.492 -1.506 1.00 0.74 C ATOM 448 CG MET A 31 -0.523 -9.830 -0.297 1.00 0.94 C ATOM 449 SD MET A 31 -0.482 -8.542 0.964 1.00 1.95 S ATOM 450 CE MET A 31 1.275 -8.458 1.302 1.00 2.55 C ATOM 0 H MET A 31 1.472 -11.817 -1.401 1.00 0.63 H new ATOM 0 HA MET A 31 -0.723 -10.647 -2.975 1.00 0.66 H new ATOM 0 HB2 MET A 31 1.365 -9.351 -1.182 1.00 0.74 H new ATOM 0 HB3 MET A 31 -0.001 -8.543 -1.925 1.00 0.74 H new ATOM 0 HG2 MET A 31 -1.553 -9.986 -0.618 1.00 0.94 H new ATOM 0 HG3 MET A 31 -0.179 -10.769 0.137 1.00 0.94 H new ATOM 0 HE1 MET A 31 1.434 -8.074 2.310 1.00 2.55 H new ATOM 0 HE2 MET A 31 1.709 -9.455 1.221 1.00 2.55 H new ATOM 0 HE3 MET A 31 1.753 -7.795 0.581 1.00 2.55 H new ATOM 458 N LEU A 32 0.729 -10.378 -4.976 1.00 0.56 N ATOM 459 CA LEU A 32 1.495 -10.039 -6.170 1.00 0.49 C ATOM 460 C LEU A 32 1.096 -8.664 -6.698 1.00 0.44 C ATOM 461 O LEU A 32 0.027 -8.152 -6.367 1.00 0.45 O ATOM 462 CB LEU A 32 1.282 -11.098 -7.255 1.00 0.52 C ATOM 463 CG LEU A 32 1.965 -12.442 -6.994 1.00 0.59 C ATOM 464 CD1 LEU A 32 1.314 -13.155 -5.819 1.00 0.69 C ATOM 465 CD2 LEU A 32 1.921 -13.313 -8.240 1.00 0.66 C ATOM 0 H LEU A 32 -0.185 -10.790 -5.165 1.00 0.56 H new ATOM 0 HA LEU A 32 2.551 -10.013 -5.901 1.00 0.49 H new ATOM 0 HB2 LEU A 32 0.211 -11.268 -7.369 1.00 0.52 H new ATOM 0 HB3 LEU A 32 1.645 -10.702 -8.203 1.00 0.52 H new ATOM 0 HG LEU A 32 3.009 -12.254 -6.743 1.00 0.59 H new ATOM 0 HD11 LEU A 32 1.814 -14.109 -5.650 1.00 0.69 H new ATOM 0 HD12 LEU A 32 1.400 -12.537 -4.925 1.00 0.69 H new ATOM 0 HD13 LEU A 32 0.261 -13.331 -6.039 1.00 0.69 H new ATOM 0 HD21 LEU A 32 2.411 -14.265 -8.036 1.00 0.66 H new ATOM 0 HD22 LEU A 32 0.884 -13.492 -8.522 1.00 0.66 H new ATOM 0 HD23 LEU A 32 2.437 -12.807 -9.056 1.00 0.66 H new ATOM 476 N PRO A 33 1.953 -8.046 -7.529 1.00 0.41 N ATOM 477 CA PRO A 33 1.684 -6.725 -8.100 1.00 0.40 C ATOM 478 C PRO A 33 0.232 -6.569 -8.537 1.00 0.38 C ATOM 479 O PRO A 33 -0.228 -7.239 -9.462 1.00 0.51 O ATOM 480 CB PRO A 33 2.617 -6.684 -9.304 1.00 0.43 C ATOM 481 CG PRO A 33 3.789 -7.509 -8.894 1.00 0.45 C ATOM 482 CD PRO A 33 3.253 -8.582 -7.978 1.00 0.43 C ATOM 0 HA PRO A 33 1.847 -5.919 -7.384 1.00 0.40 H new ATOM 0 HB2 PRO A 33 2.136 -7.091 -10.193 1.00 0.43 H new ATOM 0 HB3 PRO A 33 2.914 -5.663 -9.542 1.00 0.43 H new ATOM 0 HG2 PRO A 33 4.278 -7.949 -9.763 1.00 0.45 H new ATOM 0 HG3 PRO A 33 4.534 -6.899 -8.384 1.00 0.45 H new ATOM 0 HD2 PRO A 33 3.135 -9.531 -8.500 1.00 0.43 H new ATOM 0 HD3 PRO A 33 3.923 -8.762 -7.137 1.00 0.43 H new ATOM 487 N GLY A 34 -0.487 -5.679 -7.860 1.00 0.34 N ATOM 488 CA GLY A 34 -1.883 -5.450 -8.184 1.00 0.33 C ATOM 489 C GLY A 34 -2.805 -5.831 -7.043 1.00 0.31 C ATOM 490 O GLY A 34 -3.929 -6.280 -7.265 1.00 0.40 O ATOM 0 H GLY A 34 -0.127 -5.112 -7.092 1.00 0.34 H new ATOM 0 HA2 GLY A 34 -2.029 -4.399 -8.431 1.00 0.33 H new ATOM 0 HA3 GLY A 34 -2.148 -6.026 -9.071 1.00 0.33 H new ATOM 494 N SER A 35 -2.325 -5.647 -5.817 1.00 0.28 N ATOM 495 CA SER A 35 -3.106 -5.975 -4.630 1.00 0.28 C ATOM 496 C SER A 35 -3.725 -4.721 -4.026 1.00 0.28 C ATOM 497 O SER A 35 -3.466 -3.610 -4.487 1.00 0.37 O ATOM 498 CB SER A 35 -2.229 -6.677 -3.591 1.00 0.31 C ATOM 499 OG SER A 35 -2.980 -7.034 -2.444 1.00 0.62 O ATOM 0 H SER A 35 -1.397 -5.272 -5.620 1.00 0.28 H new ATOM 0 HA SER A 35 -3.909 -6.649 -4.929 1.00 0.28 H new ATOM 0 HB2 SER A 35 -1.784 -7.570 -4.030 1.00 0.31 H new ATOM 0 HB3 SER A 35 -1.408 -6.021 -3.302 1.00 0.31 H new ATOM 0 HG SER A 35 -2.396 -7.482 -1.797 1.00 0.62 H new ATOM 504 N SER A 36 -4.550 -4.903 -2.999 1.00 0.25 N ATOM 505 CA SER A 36 -5.203 -3.779 -2.335 1.00 0.25 C ATOM 506 C SER A 36 -4.821 -3.723 -0.859 1.00 0.23 C ATOM 507 O SER A 36 -4.467 -4.738 -0.259 1.00 0.28 O ATOM 508 CB SER A 36 -6.724 -3.889 -2.476 1.00 0.30 C ATOM 509 OG SER A 36 -7.373 -2.796 -1.848 1.00 1.30 O ATOM 0 H SER A 36 -4.782 -5.816 -2.609 1.00 0.25 H new ATOM 0 HA SER A 36 -4.866 -2.860 -2.815 1.00 0.25 H new ATOM 0 HB2 SER A 36 -6.994 -3.919 -3.532 1.00 0.30 H new ATOM 0 HB3 SER A 36 -7.067 -4.824 -2.033 1.00 0.30 H new ATOM 0 HG SER A 36 -8.343 -2.887 -1.953 1.00 1.30 H new ATOM 514 N PHE A 37 -4.896 -2.529 -0.278 1.00 0.22 N ATOM 515 CA PHE A 37 -4.558 -2.338 1.128 1.00 0.23 C ATOM 516 C PHE A 37 -5.015 -0.966 1.612 1.00 0.23 C ATOM 517 O PHE A 37 -5.539 -0.167 0.838 1.00 0.33 O ATOM 518 CB PHE A 37 -3.051 -2.489 1.339 1.00 0.25 C ATOM 519 CG PHE A 37 -2.248 -1.373 0.735 1.00 0.26 C ATOM 520 CD1 PHE A 37 -2.036 -1.316 -0.633 1.00 0.32 C ATOM 521 CD2 PHE A 37 -1.705 -0.381 1.536 1.00 0.27 C ATOM 522 CE1 PHE A 37 -1.297 -0.290 -1.192 1.00 0.36 C ATOM 523 CE2 PHE A 37 -0.967 0.647 0.983 1.00 0.30 C ATOM 524 CZ PHE A 37 -0.763 0.693 -0.382 1.00 0.33 C ATOM 0 H PHE A 37 -5.188 -1.679 -0.760 1.00 0.22 H new ATOM 0 HA PHE A 37 -5.076 -3.102 1.708 1.00 0.23 H new ATOM 0 HB2 PHE A 37 -2.845 -2.537 2.408 1.00 0.25 H new ATOM 0 HB3 PHE A 37 -2.725 -3.436 0.908 1.00 0.25 H new ATOM 0 HD1 PHE A 37 -2.453 -2.082 -1.270 1.00 0.32 H new ATOM 0 HD2 PHE A 37 -1.861 -0.412 2.604 1.00 0.27 H new ATOM 0 HE1 PHE A 37 -1.138 -0.257 -2.260 1.00 0.36 H new ATOM 0 HE2 PHE A 37 -0.550 1.415 1.618 1.00 0.30 H new ATOM 0 HZ PHE A 37 -0.187 1.497 -0.816 1.00 0.33 H new ATOM 533 N HIS A 38 -4.811 -0.698 2.899 1.00 0.21 N ATOM 534 CA HIS A 38 -5.202 0.581 3.482 1.00 0.24 C ATOM 535 C HIS A 38 -4.043 1.210 4.250 1.00 0.24 C ATOM 536 O HIS A 38 -3.138 0.514 4.710 1.00 0.40 O ATOM 537 CB HIS A 38 -6.403 0.396 4.410 1.00 0.28 C ATOM 538 CG HIS A 38 -6.846 1.664 5.075 1.00 1.17 C ATOM 539 ND1 HIS A 38 -7.686 2.577 4.473 1.00 2.13 N ATOM 540 CD2 HIS A 38 -6.559 2.170 6.298 1.00 1.98 C ATOM 541 CE1 HIS A 38 -7.897 3.589 5.296 1.00 2.94 C ATOM 542 NE2 HIS A 38 -7.224 3.365 6.411 1.00 2.82 N ATOM 0 H HIS A 38 -4.379 -1.348 3.556 1.00 0.21 H new ATOM 0 HA HIS A 38 -5.479 1.251 2.668 1.00 0.24 H new ATOM 0 HB2 HIS A 38 -7.235 -0.014 3.837 1.00 0.28 H new ATOM 0 HB3 HIS A 38 -6.151 -0.338 5.176 1.00 0.28 H new ATOM 0 HD2 HIS A 38 -5.925 1.717 7.046 1.00 1.98 H new ATOM 0 HE1 HIS A 38 -8.514 4.452 5.092 1.00 2.94 H new ATOM 0 HE2 HIS A 38 -7.202 3.981 7.224 1.00 2.82 H new ATOM 550 N VAL A 39 -4.079 2.532 4.381 1.00 0.27 N ATOM 551 CA VAL A 39 -3.034 3.263 5.091 1.00 0.27 C ATOM 552 C VAL A 39 -3.405 3.455 6.559 1.00 0.28 C ATOM 553 O VAL A 39 -4.534 3.820 6.881 1.00 0.40 O ATOM 554 CB VAL A 39 -2.781 4.643 4.454 1.00 0.39 C ATOM 555 CG1 VAL A 39 -1.696 5.395 5.209 1.00 1.28 C ATOM 556 CG2 VAL A 39 -2.410 4.494 2.985 1.00 0.88 C ATOM 0 H VAL A 39 -4.822 3.121 4.004 1.00 0.27 H new ATOM 0 HA VAL A 39 -2.124 2.667 5.020 1.00 0.27 H new ATOM 0 HB VAL A 39 -3.702 5.223 4.518 1.00 0.39 H new ATOM 0 HG11 VAL A 39 -1.534 6.366 4.742 1.00 1.28 H new ATOM 0 HG12 VAL A 39 -2.005 5.537 6.244 1.00 1.28 H new ATOM 0 HG13 VAL A 39 -0.770 4.821 5.183 1.00 1.28 H new ATOM 0 HG21 VAL A 39 -2.235 5.479 2.552 1.00 0.88 H new ATOM 0 HG22 VAL A 39 -1.505 3.893 2.897 1.00 0.88 H new ATOM 0 HG23 VAL A 39 -3.224 4.003 2.452 1.00 0.88 H new ATOM 566 N VAL A 40 -2.445 3.210 7.447 1.00 0.24 N ATOM 567 CA VAL A 40 -2.679 3.356 8.878 1.00 0.34 C ATOM 568 C VAL A 40 -2.147 4.690 9.398 1.00 0.37 C ATOM 569 O VAL A 40 -2.864 5.435 10.066 1.00 0.54 O ATOM 570 CB VAL A 40 -2.028 2.206 9.673 1.00 0.41 C ATOM 571 CG1 VAL A 40 -2.290 2.368 11.162 1.00 0.54 C ATOM 572 CG2 VAL A 40 -2.540 0.861 9.177 1.00 0.43 C ATOM 0 H VAL A 40 -1.502 2.911 7.201 1.00 0.24 H new ATOM 0 HA VAL A 40 -3.759 3.324 9.024 1.00 0.34 H new ATOM 0 HB VAL A 40 -0.950 2.242 9.513 1.00 0.41 H new ATOM 0 HG11 VAL A 40 -1.822 1.547 11.705 1.00 0.54 H new ATOM 0 HG12 VAL A 40 -1.871 3.314 11.504 1.00 0.54 H new ATOM 0 HG13 VAL A 40 -3.364 2.359 11.345 1.00 0.54 H new ATOM 0 HG21 VAL A 40 -2.071 0.060 9.748 1.00 0.43 H new ATOM 0 HG22 VAL A 40 -3.621 0.813 9.306 1.00 0.43 H new ATOM 0 HG23 VAL A 40 -2.295 0.745 8.121 1.00 0.43 H new ATOM 582 N ARG A 41 -0.887 4.987 9.092 1.00 0.27 N ATOM 583 CA ARG A 41 -0.270 6.233 9.540 1.00 0.31 C ATOM 584 C ARG A 41 0.883 6.639 8.627 1.00 0.31 C ATOM 585 O ARG A 41 1.829 5.878 8.429 1.00 0.40 O ATOM 586 CB ARG A 41 0.232 6.088 10.976 1.00 0.40 C ATOM 587 CG ARG A 41 1.145 4.890 11.180 1.00 0.47 C ATOM 588 CD ARG A 41 1.611 4.785 12.624 1.00 0.57 C ATOM 589 NE ARG A 41 2.417 5.936 13.023 1.00 1.37 N ATOM 590 CZ ARG A 41 2.837 6.146 14.266 1.00 1.62 C ATOM 591 NH1 ARG A 41 2.517 5.293 15.229 1.00 0.94 N ATOM 592 NH2 ARG A 41 3.575 7.212 14.547 1.00 2.80 N ATOM 0 H ARG A 41 -0.276 4.386 8.539 1.00 0.27 H new ATOM 0 HA ARG A 41 -1.029 7.015 9.500 1.00 0.31 H new ATOM 0 HB2 ARG A 41 0.767 6.995 11.259 1.00 0.40 H new ATOM 0 HB3 ARG A 41 -0.624 6.001 11.645 1.00 0.40 H new ATOM 0 HG2 ARG A 41 0.619 3.978 10.899 1.00 0.47 H new ATOM 0 HG3 ARG A 41 2.010 4.974 10.522 1.00 0.47 H new ATOM 0 HD2 ARG A 41 0.744 4.704 13.280 1.00 0.57 H new ATOM 0 HD3 ARG A 41 2.193 3.873 12.752 1.00 0.57 H new ATOM 0 HE ARG A 41 2.672 6.617 12.307 1.00 1.37 H new ATOM 0 HH11 ARG A 41 1.948 4.474 15.016 1.00 0.94 H new ATOM 0 HH12 ARG A 41 2.840 5.456 16.183 1.00 0.94 H new ATOM 0 HH21 ARG A 41 3.821 7.871 13.809 1.00 2.80 H new ATOM 0 HH22 ARG A 41 3.897 7.372 15.502 1.00 2.80 H new ATOM 603 N VAL A 42 0.799 7.850 8.084 1.00 0.33 N ATOM 604 CA VAL A 42 1.834 8.364 7.192 1.00 0.39 C ATOM 605 C VAL A 42 2.183 9.810 7.534 1.00 0.43 C ATOM 606 O VAL A 42 1.396 10.515 8.164 1.00 0.49 O ATOM 607 CB VAL A 42 1.391 8.289 5.718 1.00 0.52 C ATOM 608 CG1 VAL A 42 2.510 8.751 4.802 1.00 0.97 C ATOM 609 CG2 VAL A 42 0.957 6.878 5.360 1.00 1.20 C ATOM 0 H VAL A 42 0.025 8.494 8.246 1.00 0.33 H new ATOM 0 HA VAL A 42 2.715 7.737 7.331 1.00 0.39 H new ATOM 0 HB VAL A 42 0.538 8.954 5.582 1.00 0.52 H new ATOM 0 HG11 VAL A 42 2.179 8.691 3.765 1.00 0.97 H new ATOM 0 HG12 VAL A 42 2.773 9.782 5.040 1.00 0.97 H new ATOM 0 HG13 VAL A 42 3.382 8.112 4.942 1.00 0.97 H new ATOM 0 HG21 VAL A 42 0.648 6.846 4.315 1.00 1.20 H new ATOM 0 HG22 VAL A 42 1.790 6.191 5.513 1.00 1.20 H new ATOM 0 HG23 VAL A 42 0.121 6.582 5.995 1.00 1.20 H new ATOM 619 N ALA A 43 3.368 10.242 7.115 1.00 0.47 N ATOM 620 CA ALA A 43 3.820 11.604 7.377 1.00 0.55 C ATOM 621 C ALA A 43 4.204 12.315 6.080 1.00 0.69 C ATOM 622 O ALA A 43 4.591 11.673 5.104 1.00 0.81 O ATOM 623 CB ALA A 43 4.994 11.594 8.344 1.00 0.55 C ATOM 0 H ALA A 43 4.032 9.670 6.593 1.00 0.47 H new ATOM 0 HA ALA A 43 2.995 12.153 7.831 1.00 0.55 H new ATOM 0 HB1 ALA A 43 5.321 12.617 8.530 1.00 0.55 H new ATOM 0 HB2 ALA A 43 4.688 11.134 9.284 1.00 0.55 H new ATOM 0 HB3 ALA A 43 5.816 11.024 7.912 1.00 0.55 H new ATOM 629 N PRO A 44 4.098 13.656 6.056 1.00 0.83 N ATOM 630 CA PRO A 44 4.426 14.457 4.874 1.00 1.00 C ATOM 631 C PRO A 44 5.925 14.694 4.716 1.00 0.98 C ATOM 632 O PRO A 44 6.428 14.822 3.600 1.00 1.15 O ATOM 633 CB PRO A 44 3.706 15.773 5.150 1.00 1.14 C ATOM 634 CG PRO A 44 3.719 15.901 6.634 1.00 1.34 C ATOM 635 CD PRO A 44 3.646 14.497 7.182 1.00 1.00 C ATOM 0 HA PRO A 44 4.126 13.964 3.949 1.00 1.00 H new ATOM 0 HB2 PRO A 44 4.215 16.611 4.675 1.00 1.14 H new ATOM 0 HB3 PRO A 44 2.688 15.757 4.762 1.00 1.14 H new ATOM 0 HG2 PRO A 44 4.625 16.404 6.973 1.00 1.34 H new ATOM 0 HG3 PRO A 44 2.875 16.498 6.980 1.00 1.34 H new ATOM 0 HD2 PRO A 44 4.287 14.375 8.055 1.00 1.00 H new ATOM 0 HD3 PRO A 44 2.633 14.240 7.492 1.00 1.00 H new ATOM 640 N LEU A 45 6.632 14.754 5.838 1.00 0.85 N ATOM 641 CA LEU A 45 8.075 14.980 5.823 1.00 0.90 C ATOM 642 C LEU A 45 8.830 13.692 5.511 1.00 0.91 C ATOM 643 O LEU A 45 9.941 13.726 4.981 1.00 1.23 O ATOM 644 CB LEU A 45 8.537 15.542 7.169 1.00 0.90 C ATOM 645 CG LEU A 45 8.019 16.942 7.496 1.00 1.76 C ATOM 646 CD1 LEU A 45 8.522 17.393 8.860 1.00 2.51 C ATOM 647 CD2 LEU A 45 8.438 17.927 6.417 1.00 2.25 C ATOM 0 H LEU A 45 6.231 14.650 6.770 1.00 0.85 H new ATOM 0 HA LEU A 45 8.294 15.704 5.038 1.00 0.90 H new ATOM 0 HB2 LEU A 45 8.220 14.860 7.958 1.00 0.90 H new ATOM 0 HB3 LEU A 45 9.627 15.562 7.183 1.00 0.90 H new ATOM 0 HG LEU A 45 6.930 16.909 7.528 1.00 1.76 H new ATOM 0 HD11 LEU A 45 8.143 18.392 9.076 1.00 2.51 H new ATOM 0 HD12 LEU A 45 8.172 16.699 9.624 1.00 2.51 H new ATOM 0 HD13 LEU A 45 9.612 17.411 8.858 1.00 2.51 H new ATOM 0 HD21 LEU A 45 8.061 18.920 6.664 1.00 2.25 H new ATOM 0 HD22 LEU A 45 9.526 17.957 6.354 1.00 2.25 H new ATOM 0 HD23 LEU A 45 8.028 17.612 5.458 1.00 2.25 H new ATOM 658 N GLY A 46 8.220 12.559 5.841 1.00 0.72 N ATOM 659 CA GLY A 46 8.852 11.279 5.594 1.00 0.72 C ATOM 660 C GLY A 46 8.938 10.433 6.847 1.00 0.66 C ATOM 661 O GLY A 46 9.773 10.682 7.716 1.00 0.77 O ATOM 0 H GLY A 46 7.299 12.505 6.275 1.00 0.72 H new ATOM 0 HA2 GLY A 46 8.291 10.740 4.831 1.00 0.72 H new ATOM 0 HA3 GLY A 46 9.854 11.441 5.197 1.00 0.72 H new ATOM 665 N ASP A 47 8.071 9.430 6.942 1.00 0.53 N ATOM 666 CA ASP A 47 8.048 8.550 8.104 1.00 0.49 C ATOM 667 C ASP A 47 7.625 7.138 7.714 1.00 0.46 C ATOM 668 O ASP A 47 7.188 6.902 6.588 1.00 0.46 O ATOM 669 CB ASP A 47 7.103 9.117 9.167 1.00 0.45 C ATOM 670 CG ASP A 47 7.655 10.367 9.824 1.00 0.78 C ATOM 671 OD1 ASP A 47 7.515 11.458 9.233 1.00 0.94 O ATOM 672 OD2 ASP A 47 8.230 10.255 10.928 1.00 1.07 O ATOM 0 H ASP A 47 7.376 9.207 6.229 1.00 0.53 H new ATOM 0 HA ASP A 47 9.056 8.495 8.515 1.00 0.49 H new ATOM 0 HB2 ASP A 47 6.141 9.345 8.709 1.00 0.45 H new ATOM 0 HB3 ASP A 47 6.921 8.359 9.929 1.00 0.45 H new ATOM 676 N PRO A 48 7.745 6.177 8.648 1.00 0.47 N ATOM 677 CA PRO A 48 7.378 4.789 8.407 1.00 0.47 C ATOM 678 C PRO A 48 5.891 4.553 8.632 1.00 0.37 C ATOM 679 O PRO A 48 5.372 4.781 9.724 1.00 0.38 O ATOM 680 CB PRO A 48 8.208 4.007 9.440 1.00 0.56 C ATOM 681 CG PRO A 48 8.924 5.030 10.273 1.00 0.61 C ATOM 682 CD PRO A 48 8.270 6.356 10.001 1.00 0.53 C ATOM 0 HA PRO A 48 7.572 4.486 7.378 1.00 0.47 H new ATOM 0 HB2 PRO A 48 7.566 3.382 10.060 1.00 0.56 H new ATOM 0 HB3 PRO A 48 8.918 3.344 8.946 1.00 0.56 H new ATOM 0 HG2 PRO A 48 8.860 4.778 11.332 1.00 0.61 H new ATOM 0 HG3 PRO A 48 9.983 5.063 10.017 1.00 0.61 H new ATOM 0 HD2 PRO A 48 7.478 6.573 10.718 1.00 0.53 H new ATOM 0 HD3 PRO A 48 8.983 7.179 10.054 1.00 0.53 H new ATOM 687 N VAL A 49 5.214 4.095 7.587 1.00 0.32 N ATOM 688 CA VAL A 49 3.783 3.838 7.648 1.00 0.26 C ATOM 689 C VAL A 49 3.490 2.339 7.675 1.00 0.28 C ATOM 690 O VAL A 49 4.319 1.521 7.276 1.00 0.39 O ATOM 691 CB VAL A 49 3.058 4.504 6.450 1.00 0.27 C ATOM 692 CG1 VAL A 49 3.841 4.278 5.166 1.00 0.35 C ATOM 693 CG2 VAL A 49 1.621 4.002 6.304 1.00 0.31 C ATOM 0 H VAL A 49 5.638 3.893 6.681 1.00 0.32 H new ATOM 0 HA VAL A 49 3.407 4.274 8.574 1.00 0.26 H new ATOM 0 HB VAL A 49 3.008 5.575 6.647 1.00 0.27 H new ATOM 0 HG11 VAL A 49 3.320 4.751 4.334 1.00 0.35 H new ATOM 0 HG12 VAL A 49 4.836 4.712 5.265 1.00 0.35 H new ATOM 0 HG13 VAL A 49 3.929 3.208 4.977 1.00 0.35 H new ATOM 0 HG21 VAL A 49 1.149 4.493 5.453 1.00 0.31 H new ATOM 0 HG22 VAL A 49 1.627 2.924 6.143 1.00 0.31 H new ATOM 0 HG23 VAL A 49 1.062 4.230 7.211 1.00 0.31 H new ATOM 703 N HIS A 50 2.301 1.996 8.154 1.00 0.29 N ATOM 704 CA HIS A 50 1.874 0.605 8.237 1.00 0.31 C ATOM 705 C HIS A 50 0.696 0.352 7.300 1.00 0.29 C ATOM 706 O HIS A 50 -0.228 1.162 7.217 1.00 0.31 O ATOM 707 CB HIS A 50 1.489 0.252 9.676 1.00 0.34 C ATOM 708 CG HIS A 50 2.643 0.288 10.629 1.00 0.37 C ATOM 709 ND1 HIS A 50 3.228 -0.848 11.147 1.00 1.13 N ATOM 710 CD2 HIS A 50 3.320 1.334 11.165 1.00 1.08 C ATOM 711 CE1 HIS A 50 4.213 -0.504 11.959 1.00 0.85 C ATOM 712 NE2 HIS A 50 4.287 0.813 11.986 1.00 0.68 N ATOM 0 H HIS A 50 1.611 2.667 8.493 1.00 0.29 H new ATOM 0 HA HIS A 50 2.705 -0.030 7.931 1.00 0.31 H new ATOM 0 HB2 HIS A 50 0.723 0.947 10.019 1.00 0.34 H new ATOM 0 HB3 HIS A 50 1.046 -0.744 9.691 1.00 0.34 H new ATOM 0 HD2 HIS A 50 3.133 2.381 10.980 1.00 1.08 H new ATOM 0 HE1 HIS A 50 4.848 -1.185 12.506 1.00 0.85 H new ATOM 0 HE2 HIS A 50 4.956 1.357 12.531 1.00 0.68 H new ATOM 720 N ILE A 51 0.735 -0.774 6.594 1.00 0.32 N ATOM 721 CA ILE A 51 -0.328 -1.121 5.658 1.00 0.32 C ATOM 722 C ILE A 51 -1.272 -2.165 6.242 1.00 0.32 C ATOM 723 O ILE A 51 -0.843 -3.093 6.928 1.00 0.31 O ATOM 724 CB ILE A 51 0.246 -1.653 4.330 1.00 0.34 C ATOM 725 CG1 ILE A 51 1.022 -2.950 4.563 1.00 0.34 C ATOM 726 CG2 ILE A 51 1.139 -0.604 3.685 1.00 0.36 C ATOM 727 CD1 ILE A 51 1.639 -3.521 3.304 1.00 0.36 C ATOM 0 H ILE A 51 1.488 -1.459 6.652 1.00 0.32 H new ATOM 0 HA ILE A 51 -0.886 -0.204 5.469 1.00 0.32 H new ATOM 0 HB ILE A 51 -0.582 -1.867 3.654 1.00 0.34 H new ATOM 0 HG12 ILE A 51 1.810 -2.766 5.293 1.00 0.34 H new ATOM 0 HG13 ILE A 51 0.352 -3.692 4.998 1.00 0.34 H new ATOM 0 HG21 ILE A 51 1.538 -0.992 2.748 1.00 0.36 H new ATOM 0 HG22 ILE A 51 0.558 0.296 3.486 1.00 0.36 H new ATOM 0 HG23 ILE A 51 1.962 -0.363 4.358 1.00 0.36 H new ATOM 0 HD11 ILE A 51 2.173 -4.440 3.545 1.00 0.36 H new ATOM 0 HD12 ILE A 51 0.854 -3.737 2.580 1.00 0.36 H new ATOM 0 HD13 ILE A 51 2.335 -2.797 2.879 1.00 0.36 H new ATOM 738 N GLU A 52 -2.562 -2.003 5.964 1.00 0.36 N ATOM 739 CA GLU A 52 -3.575 -2.928 6.450 1.00 0.39 C ATOM 740 C GLU A 52 -4.106 -3.788 5.307 1.00 0.42 C ATOM 741 O GLU A 52 -4.839 -3.306 4.443 1.00 0.43 O ATOM 742 CB GLU A 52 -4.724 -2.161 7.109 1.00 0.45 C ATOM 743 CG GLU A 52 -5.862 -3.051 7.579 1.00 1.01 C ATOM 744 CD GLU A 52 -7.010 -2.262 8.177 1.00 1.46 C ATOM 745 OE1 GLU A 52 -7.868 -1.787 7.405 1.00 1.91 O ATOM 746 OE2 GLU A 52 -7.050 -2.118 9.417 1.00 2.13 O ATOM 0 H GLU A 52 -2.930 -1.235 5.402 1.00 0.36 H new ATOM 0 HA GLU A 52 -3.117 -3.581 7.193 1.00 0.39 H new ATOM 0 HB2 GLU A 52 -4.335 -1.603 7.961 1.00 0.45 H new ATOM 0 HB3 GLU A 52 -5.115 -1.430 6.401 1.00 0.45 H new ATOM 0 HG2 GLU A 52 -6.229 -3.639 6.738 1.00 1.01 H new ATOM 0 HG3 GLU A 52 -5.485 -3.756 8.320 1.00 1.01 H new ATOM 751 N THR A 53 -3.726 -5.061 5.309 1.00 0.52 N ATOM 752 CA THR A 53 -4.156 -5.988 4.269 1.00 0.58 C ATOM 753 C THR A 53 -5.064 -7.072 4.841 1.00 0.61 C ATOM 754 O THR A 53 -5.417 -7.044 6.020 1.00 0.60 O ATOM 755 CB THR A 53 -2.949 -6.652 3.581 1.00 0.59 C ATOM 756 OG1 THR A 53 -2.168 -7.368 4.544 1.00 0.55 O ATOM 757 CG2 THR A 53 -2.079 -5.613 2.889 1.00 0.64 C ATOM 0 H THR A 53 -3.121 -5.474 6.019 1.00 0.52 H new ATOM 0 HA THR A 53 -4.711 -5.407 3.533 1.00 0.58 H new ATOM 0 HB THR A 53 -3.326 -7.346 2.830 1.00 0.59 H new ATOM 0 HG1 THR A 53 -2.431 -7.094 5.447 1.00 0.55 H new ATOM 0 HG21 THR A 53 -1.233 -6.107 2.411 1.00 0.64 H new ATOM 0 HG22 THR A 53 -2.667 -5.090 2.135 1.00 0.64 H new ATOM 0 HG23 THR A 53 -1.712 -4.897 3.625 1.00 0.64 H new ATOM 765 N ARG A 54 -5.439 -8.025 3.996 1.00 0.68 N ATOM 766 CA ARG A 54 -6.309 -9.121 4.409 1.00 0.73 C ATOM 767 C ARG A 54 -5.809 -9.776 5.692 1.00 0.67 C ATOM 768 O ARG A 54 -4.861 -10.558 5.671 1.00 0.69 O ATOM 769 CB ARG A 54 -6.406 -10.166 3.297 1.00 0.84 C ATOM 770 CG ARG A 54 -7.047 -9.641 2.025 1.00 1.47 C ATOM 771 CD ARG A 54 -8.483 -9.206 2.268 1.00 1.53 C ATOM 772 NE ARG A 54 -9.121 -8.714 1.051 1.00 2.10 N ATOM 773 CZ ARG A 54 -10.369 -8.259 1.010 1.00 2.32 C ATOM 774 NH1 ARG A 54 -11.106 -8.241 2.112 1.00 1.97 N ATOM 775 NH2 ARG A 54 -10.882 -7.824 -0.134 1.00 3.04 N ATOM 0 H ARG A 54 -5.153 -8.061 3.017 1.00 0.68 H new ATOM 0 HA ARG A 54 -7.298 -8.705 4.603 1.00 0.73 H new ATOM 0 HB2 ARG A 54 -5.406 -10.532 3.066 1.00 0.84 H new ATOM 0 HB3 ARG A 54 -6.982 -11.018 3.659 1.00 0.84 H new ATOM 0 HG2 ARG A 54 -6.469 -8.798 1.645 1.00 1.47 H new ATOM 0 HG3 ARG A 54 -7.024 -10.415 1.258 1.00 1.47 H new ATOM 0 HD2 ARG A 54 -9.054 -10.047 2.662 1.00 1.53 H new ATOM 0 HD3 ARG A 54 -8.501 -8.425 3.028 1.00 1.53 H new ATOM 0 HE ARG A 54 -8.580 -8.720 0.186 1.00 2.10 H new ATOM 0 HH11 ARG A 54 -10.715 -8.577 2.992 1.00 1.97 H new ATOM 0 HH12 ARG A 54 -12.064 -7.892 2.079 1.00 1.97 H new ATOM 0 HH21 ARG A 54 -10.318 -7.839 -0.984 1.00 3.04 H new ATOM 0 HH22 ARG A 54 -11.840 -7.475 -0.163 1.00 3.04 H new ATOM 786 N ARG A 55 -6.456 -9.445 6.807 1.00 0.66 N ATOM 787 CA ARG A 55 -6.098 -10.004 8.106 1.00 0.66 C ATOM 788 C ARG A 55 -4.588 -10.008 8.332 1.00 0.62 C ATOM 789 O ARG A 55 -4.047 -10.936 8.931 1.00 0.70 O ATOM 790 CB ARG A 55 -6.648 -11.427 8.239 1.00 0.73 C ATOM 791 CG ARG A 55 -6.206 -12.362 7.124 1.00 1.06 C ATOM 792 CD ARG A 55 -6.695 -13.781 7.363 1.00 1.67 C ATOM 793 NE ARG A 55 -6.291 -14.687 6.292 1.00 2.43 N ATOM 794 CZ ARG A 55 -6.874 -15.860 6.064 1.00 3.17 C ATOM 795 NH1 ARG A 55 -7.886 -16.259 6.820 1.00 3.34 N ATOM 796 NH2 ARG A 55 -6.444 -16.635 5.075 1.00 4.11 N ATOM 0 H ARG A 55 -7.236 -8.788 6.835 1.00 0.66 H new ATOM 0 HA ARG A 55 -6.545 -9.366 8.868 1.00 0.66 H new ATOM 0 HB2 ARG A 55 -6.330 -11.842 9.196 1.00 0.73 H new ATOM 0 HB3 ARG A 55 -7.737 -11.386 8.256 1.00 0.73 H new ATOM 0 HG2 ARG A 55 -6.589 -12.000 6.170 1.00 1.06 H new ATOM 0 HG3 ARG A 55 -5.118 -12.358 7.053 1.00 1.06 H new ATOM 0 HD2 ARG A 55 -6.302 -14.145 8.313 1.00 1.67 H new ATOM 0 HD3 ARG A 55 -7.782 -13.781 7.447 1.00 1.67 H new ATOM 0 HE ARG A 55 -5.520 -14.405 5.686 1.00 2.43 H new ATOM 0 HH11 ARG A 55 -8.220 -15.666 7.580 1.00 3.34 H new ATOM 0 HH12 ARG A 55 -8.331 -17.159 6.643 1.00 3.34 H new ATOM 0 HH21 ARG A 55 -5.666 -16.330 4.490 1.00 4.11 H new ATOM 0 HH22 ARG A 55 -6.892 -17.535 4.901 1.00 4.11 H new ATOM 807 N VAL A 56 -3.909 -8.967 7.858 1.00 0.58 N ATOM 808 CA VAL A 56 -2.465 -8.863 8.024 1.00 0.57 C ATOM 809 C VAL A 56 -2.020 -7.404 8.065 1.00 0.49 C ATOM 810 O VAL A 56 -2.341 -6.620 7.171 1.00 0.50 O ATOM 811 CB VAL A 56 -1.710 -9.600 6.894 1.00 0.66 C ATOM 812 CG1 VAL A 56 -0.205 -9.410 7.030 1.00 1.02 C ATOM 813 CG2 VAL A 56 -2.058 -11.081 6.898 1.00 1.23 C ATOM 0 H VAL A 56 -4.335 -8.187 7.358 1.00 0.58 H new ATOM 0 HA VAL A 56 -2.220 -9.337 8.974 1.00 0.57 H new ATOM 0 HB VAL A 56 -2.023 -9.170 5.943 1.00 0.66 H new ATOM 0 HG11 VAL A 56 0.303 -9.938 6.223 1.00 1.02 H new ATOM 0 HG12 VAL A 56 0.034 -8.348 6.975 1.00 1.02 H new ATOM 0 HG13 VAL A 56 0.127 -9.808 7.989 1.00 1.02 H new ATOM 0 HG21 VAL A 56 -1.518 -11.584 6.096 1.00 1.23 H new ATOM 0 HG22 VAL A 56 -1.776 -11.518 7.856 1.00 1.23 H new ATOM 0 HG23 VAL A 56 -3.130 -11.203 6.745 1.00 1.23 H new ATOM 823 N SER A 57 -1.282 -7.048 9.110 1.00 0.48 N ATOM 824 CA SER A 57 -0.790 -5.685 9.272 1.00 0.43 C ATOM 825 C SER A 57 0.721 -5.631 9.073 1.00 0.42 C ATOM 826 O SER A 57 1.486 -6.094 9.919 1.00 0.46 O ATOM 827 CB SER A 57 -1.152 -5.150 10.659 1.00 0.51 C ATOM 828 OG SER A 57 -0.658 -3.835 10.847 1.00 0.64 O ATOM 0 H SER A 57 -1.011 -7.685 9.859 1.00 0.48 H new ATOM 0 HA SER A 57 -1.264 -5.060 8.516 1.00 0.43 H new ATOM 0 HB2 SER A 57 -2.235 -5.155 10.782 1.00 0.51 H new ATOM 0 HB3 SER A 57 -0.741 -5.808 11.424 1.00 0.51 H new ATOM 0 HG SER A 57 -0.905 -3.517 11.741 1.00 0.64 H new ATOM 833 N LEU A 58 1.145 -5.066 7.949 1.00 0.38 N ATOM 834 CA LEU A 58 2.566 -4.955 7.641 1.00 0.40 C ATOM 835 C LEU A 58 3.052 -3.519 7.789 1.00 0.37 C ATOM 836 O LEU A 58 2.268 -2.574 7.707 1.00 0.38 O ATOM 837 CB LEU A 58 2.837 -5.454 6.221 1.00 0.43 C ATOM 838 CG LEU A 58 2.381 -6.887 5.942 1.00 0.96 C ATOM 839 CD1 LEU A 58 2.682 -7.273 4.503 1.00 1.50 C ATOM 840 CD2 LEU A 58 3.052 -7.853 6.907 1.00 1.54 C ATOM 0 H LEU A 58 0.527 -4.678 7.237 1.00 0.38 H new ATOM 0 HA LEU A 58 3.114 -5.574 8.351 1.00 0.40 H new ATOM 0 HB2 LEU A 58 2.340 -4.787 5.517 1.00 0.43 H new ATOM 0 HB3 LEU A 58 3.907 -5.385 6.026 1.00 0.43 H new ATOM 0 HG LEU A 58 1.303 -6.942 6.092 1.00 0.96 H new ATOM 0 HD11 LEU A 58 2.350 -8.296 4.324 1.00 1.50 H new ATOM 0 HD12 LEU A 58 2.157 -6.598 3.828 1.00 1.50 H new ATOM 0 HD13 LEU A 58 3.755 -7.203 4.324 1.00 1.50 H new ATOM 0 HD21 LEU A 58 2.718 -8.869 6.696 1.00 1.54 H new ATOM 0 HD22 LEU A 58 4.134 -7.795 6.787 1.00 1.54 H new ATOM 0 HD23 LEU A 58 2.786 -7.589 7.930 1.00 1.54 H new ATOM 851 N VAL A 59 4.355 -3.364 8.007 1.00 0.41 N ATOM 852 CA VAL A 59 4.952 -2.043 8.165 1.00 0.40 C ATOM 853 C VAL A 59 5.883 -1.722 7.002 1.00 0.40 C ATOM 854 O VAL A 59 6.689 -2.555 6.590 1.00 0.47 O ATOM 855 CB VAL A 59 5.744 -1.938 9.481 1.00 0.45 C ATOM 856 CG1 VAL A 59 6.858 -2.974 9.518 1.00 0.50 C ATOM 857 CG2 VAL A 59 6.307 -0.535 9.653 1.00 0.45 C ATOM 0 H VAL A 59 5.017 -4.137 8.078 1.00 0.41 H new ATOM 0 HA VAL A 59 4.132 -1.325 8.184 1.00 0.40 H new ATOM 0 HB VAL A 59 5.065 -2.138 10.310 1.00 0.45 H new ATOM 0 HG11 VAL A 59 7.407 -2.885 10.455 1.00 0.50 H new ATOM 0 HG12 VAL A 59 6.428 -3.973 9.443 1.00 0.50 H new ATOM 0 HG13 VAL A 59 7.538 -2.807 8.682 1.00 0.50 H new ATOM 0 HG21 VAL A 59 6.864 -0.479 10.588 1.00 0.45 H new ATOM 0 HG22 VAL A 59 6.972 -0.305 8.820 1.00 0.45 H new ATOM 0 HG23 VAL A 59 5.489 0.185 9.674 1.00 0.45 H new ATOM 867 N LEU A 60 5.764 -0.509 6.474 1.00 0.39 N ATOM 868 CA LEU A 60 6.596 -0.078 5.358 1.00 0.40 C ATOM 869 C LEU A 60 7.380 1.178 5.722 1.00 0.38 C ATOM 870 O LEU A 60 6.829 2.124 6.285 1.00 0.48 O ATOM 871 CB LEU A 60 5.736 0.184 4.122 1.00 0.45 C ATOM 872 CG LEU A 60 4.874 -0.997 3.670 1.00 0.61 C ATOM 873 CD1 LEU A 60 4.111 -0.646 2.404 1.00 0.77 C ATOM 874 CD2 LEU A 60 5.737 -2.230 3.451 1.00 0.97 C ATOM 0 H LEU A 60 5.100 0.193 6.801 1.00 0.39 H new ATOM 0 HA LEU A 60 7.303 -0.877 5.134 1.00 0.40 H new ATOM 0 HB2 LEU A 60 5.084 1.033 4.325 1.00 0.45 H new ATOM 0 HB3 LEU A 60 6.389 0.474 3.299 1.00 0.45 H new ATOM 0 HG LEU A 60 4.151 -1.218 4.455 1.00 0.61 H new ATOM 0 HD11 LEU A 60 3.504 -1.498 2.097 1.00 0.77 H new ATOM 0 HD12 LEU A 60 3.465 0.211 2.594 1.00 0.77 H new ATOM 0 HD13 LEU A 60 4.816 -0.399 1.611 1.00 0.77 H new ATOM 0 HD21 LEU A 60 5.109 -3.061 3.130 1.00 0.97 H new ATOM 0 HD22 LEU A 60 6.482 -2.021 2.684 1.00 0.97 H new ATOM 0 HD23 LEU A 60 6.239 -2.493 4.382 1.00 0.97 H new ATOM 885 N ARG A 61 8.668 1.181 5.397 1.00 0.51 N ATOM 886 CA ARG A 61 9.527 2.320 5.691 1.00 0.58 C ATOM 887 C ARG A 61 9.670 3.221 4.470 1.00 0.54 C ATOM 888 O ARG A 61 9.417 2.802 3.341 1.00 0.59 O ATOM 889 CB ARG A 61 10.904 1.838 6.148 1.00 0.69 C ATOM 890 CG ARG A 61 10.857 0.931 7.367 1.00 1.34 C ATOM 891 CD ARG A 61 12.234 0.394 7.719 1.00 1.51 C ATOM 892 NE ARG A 61 13.170 1.462 8.058 1.00 2.06 N ATOM 893 CZ ARG A 61 14.390 1.243 8.538 1.00 2.47 C ATOM 894 NH1 ARG A 61 14.814 0.003 8.738 1.00 2.45 N ATOM 895 NH2 ARG A 61 15.187 2.265 8.818 1.00 3.32 N ATOM 0 H ARG A 61 9.140 0.407 4.930 1.00 0.51 H new ATOM 0 HA ARG A 61 9.066 2.897 6.493 1.00 0.58 H new ATOM 0 HB2 ARG A 61 11.384 1.305 5.327 1.00 0.69 H new ATOM 0 HB3 ARG A 61 11.527 2.704 6.373 1.00 0.69 H new ATOM 0 HG2 ARG A 61 10.453 1.483 8.216 1.00 1.34 H new ATOM 0 HG3 ARG A 61 10.179 0.099 7.176 1.00 1.34 H new ATOM 0 HD2 ARG A 61 12.150 -0.294 8.560 1.00 1.51 H new ATOM 0 HD3 ARG A 61 12.626 -0.177 6.877 1.00 1.51 H new ATOM 0 HE ARG A 61 12.872 2.428 7.919 1.00 2.06 H new ATOM 0 HH11 ARG A 61 14.204 -0.786 8.523 1.00 2.45 H new ATOM 0 HH12 ARG A 61 15.751 -0.163 9.106 1.00 2.45 H new ATOM 0 HH21 ARG A 61 14.864 3.220 8.665 1.00 3.32 H new ATOM 0 HH22 ARG A 61 16.123 2.096 9.186 1.00 3.32 H new ATOM 906 N LYS A 62 10.080 4.462 4.705 1.00 0.69 N ATOM 907 CA LYS A 62 10.262 5.429 3.629 1.00 0.74 C ATOM 908 C LYS A 62 11.136 4.852 2.518 1.00 0.68 C ATOM 909 O LYS A 62 11.069 5.295 1.371 1.00 0.76 O ATOM 910 CB LYS A 62 10.895 6.710 4.173 1.00 0.92 C ATOM 911 CG LYS A 62 10.099 7.347 5.302 1.00 1.88 C ATOM 912 CD LYS A 62 11.011 7.923 6.372 1.00 2.95 C ATOM 913 CE LYS A 62 11.768 6.827 7.109 1.00 3.60 C ATOM 914 NZ LYS A 62 12.637 7.378 8.184 1.00 4.70 N ATOM 0 H LYS A 62 10.293 4.823 5.635 1.00 0.69 H new ATOM 0 HA LYS A 62 9.282 5.660 3.212 1.00 0.74 H new ATOM 0 HB2 LYS A 62 11.901 6.486 4.529 1.00 0.92 H new ATOM 0 HB3 LYS A 62 10.997 7.429 3.360 1.00 0.92 H new ATOM 0 HG2 LYS A 62 9.464 8.137 4.900 1.00 1.88 H new ATOM 0 HG3 LYS A 62 9.439 6.603 5.748 1.00 1.88 H new ATOM 0 HD2 LYS A 62 11.721 8.612 5.914 1.00 2.95 H new ATOM 0 HD3 LYS A 62 10.420 8.500 7.083 1.00 2.95 H new ATOM 0 HE2 LYS A 62 11.057 6.123 7.542 1.00 3.60 H new ATOM 0 HE3 LYS A 62 12.378 6.268 6.400 1.00 3.60 H new ATOM 0 HZ1 LYS A 62 13.135 6.599 8.661 1.00 4.70 H new ATOM 0 HZ2 LYS A 62 13.332 8.030 7.768 1.00 4.70 H new ATOM 0 HZ3 LYS A 62 12.052 7.890 8.875 1.00 4.70 H new ATOM 924 N LYS A 63 11.956 3.863 2.864 1.00 0.64 N ATOM 925 CA LYS A 63 12.842 3.228 1.896 1.00 0.71 C ATOM 926 C LYS A 63 12.115 2.118 1.142 1.00 0.63 C ATOM 927 O LYS A 63 12.450 1.808 -0.001 1.00 0.73 O ATOM 928 CB LYS A 63 14.074 2.659 2.601 1.00 0.88 C ATOM 929 CG LYS A 63 13.751 1.540 3.578 1.00 0.88 C ATOM 930 CD LYS A 63 15.000 1.031 4.276 1.00 1.10 C ATOM 931 CE LYS A 63 15.993 0.443 3.286 1.00 1.67 C ATOM 932 NZ LYS A 63 17.217 -0.070 3.962 1.00 2.28 N ATOM 0 H LYS A 63 12.024 3.485 3.809 1.00 0.64 H new ATOM 0 HA LYS A 63 13.159 3.984 1.178 1.00 0.71 H new ATOM 0 HB2 LYS A 63 14.772 2.286 1.851 1.00 0.88 H new ATOM 0 HB3 LYS A 63 14.580 3.463 3.136 1.00 0.88 H new ATOM 0 HG2 LYS A 63 13.039 1.899 4.321 1.00 0.88 H new ATOM 0 HG3 LYS A 63 13.270 0.719 3.046 1.00 0.88 H new ATOM 0 HD2 LYS A 63 15.471 1.848 4.823 1.00 1.10 H new ATOM 0 HD3 LYS A 63 14.725 0.273 5.010 1.00 1.10 H new ATOM 0 HE2 LYS A 63 15.517 -0.367 2.733 1.00 1.67 H new ATOM 0 HE3 LYS A 63 16.273 1.204 2.558 1.00 1.67 H new ATOM 0 HZ1 LYS A 63 17.867 -0.462 3.252 1.00 2.28 H new ATOM 0 HZ2 LYS A 63 17.686 0.708 4.469 1.00 2.28 H new ATOM 0 HZ3 LYS A 63 16.954 -0.815 4.639 1.00 2.28 H new ATOM 942 N ASP A 64 11.119 1.523 1.790 1.00 0.54 N ATOM 943 CA ASP A 64 10.347 0.449 1.179 1.00 0.54 C ATOM 944 C ASP A 64 9.376 1.002 0.141 1.00 0.46 C ATOM 945 O ASP A 64 9.084 0.350 -0.861 1.00 0.56 O ATOM 946 CB ASP A 64 9.581 -0.333 2.248 1.00 0.56 C ATOM 947 CG ASP A 64 8.712 -1.423 1.654 1.00 1.38 C ATOM 948 OD1 ASP A 64 7.644 -1.094 1.095 1.00 2.30 O ATOM 949 OD2 ASP A 64 9.096 -2.608 1.749 1.00 1.49 O ATOM 0 H ASP A 64 10.828 1.766 2.737 1.00 0.54 H new ATOM 0 HA ASP A 64 11.042 -0.225 0.678 1.00 0.54 H new ATOM 0 HB2 ASP A 64 10.290 -0.777 2.947 1.00 0.56 H new ATOM 0 HB3 ASP A 64 8.957 0.354 2.820 1.00 0.56 H new ATOM 953 N LEU A 65 8.877 2.209 0.389 1.00 0.39 N ATOM 954 CA LEU A 65 7.940 2.851 -0.527 1.00 0.41 C ATOM 955 C LEU A 65 8.671 3.469 -1.716 1.00 0.45 C ATOM 956 O LEU A 65 8.077 3.701 -2.769 1.00 0.52 O ATOM 957 CB LEU A 65 7.130 3.926 0.202 1.00 0.51 C ATOM 958 CG LEU A 65 6.073 3.399 1.174 1.00 0.49 C ATOM 959 CD1 LEU A 65 6.731 2.716 2.362 1.00 0.67 C ATOM 960 CD2 LEU A 65 5.171 4.532 1.642 1.00 0.70 C ATOM 0 H LEU A 65 9.105 2.762 1.215 1.00 0.39 H new ATOM 0 HA LEU A 65 7.260 2.085 -0.900 1.00 0.41 H new ATOM 0 HB2 LEU A 65 7.819 4.567 0.752 1.00 0.51 H new ATOM 0 HB3 LEU A 65 6.637 4.553 -0.541 1.00 0.51 H new ATOM 0 HG LEU A 65 5.462 2.663 0.652 1.00 0.49 H new ATOM 0 HD11 LEU A 65 5.962 2.348 3.042 1.00 0.67 H new ATOM 0 HD12 LEU A 65 7.336 1.880 2.012 1.00 0.67 H new ATOM 0 HD13 LEU A 65 7.367 3.430 2.886 1.00 0.67 H new ATOM 0 HD21 LEU A 65 4.424 4.141 2.333 1.00 0.70 H new ATOM 0 HD22 LEU A 65 5.771 5.290 2.146 1.00 0.70 H new ATOM 0 HD23 LEU A 65 4.671 4.978 0.782 1.00 0.70 H new ATOM 971 N ALA A 66 9.963 3.737 -1.541 1.00 0.46 N ATOM 972 CA ALA A 66 10.771 4.328 -2.602 1.00 0.52 C ATOM 973 C ALA A 66 11.019 3.337 -3.738 1.00 0.50 C ATOM 974 O ALA A 66 11.382 3.731 -4.846 1.00 0.66 O ATOM 975 CB ALA A 66 12.093 4.824 -2.037 1.00 0.60 C ATOM 0 H ALA A 66 10.471 3.554 -0.676 1.00 0.46 H new ATOM 0 HA ALA A 66 10.217 5.172 -3.014 1.00 0.52 H new ATOM 0 HB1 ALA A 66 12.689 5.263 -2.837 1.00 0.60 H new ATOM 0 HB2 ALA A 66 11.902 5.576 -1.272 1.00 0.60 H new ATOM 0 HB3 ALA A 66 12.637 3.988 -1.597 1.00 0.60 H new ATOM 981 N LEU A 67 10.823 2.050 -3.458 1.00 0.37 N ATOM 982 CA LEU A 67 11.034 1.012 -4.461 1.00 0.35 C ATOM 983 C LEU A 67 9.714 0.568 -5.088 1.00 0.31 C ATOM 984 O LEU A 67 9.529 0.666 -6.301 1.00 0.30 O ATOM 985 CB LEU A 67 11.744 -0.188 -3.829 1.00 0.38 C ATOM 986 CG LEU A 67 13.139 0.107 -3.274 1.00 0.43 C ATOM 987 CD1 LEU A 67 13.726 -1.130 -2.613 1.00 0.48 C ATOM 988 CD2 LEU A 67 14.053 0.610 -4.382 1.00 0.47 C ATOM 0 H LEU A 67 10.520 1.703 -2.548 1.00 0.37 H new ATOM 0 HA LEU A 67 11.659 1.428 -5.252 1.00 0.35 H new ATOM 0 HB2 LEU A 67 11.122 -0.575 -3.022 1.00 0.38 H new ATOM 0 HB3 LEU A 67 11.826 -0.978 -4.576 1.00 0.38 H new ATOM 0 HG LEU A 67 13.053 0.887 -2.517 1.00 0.43 H new ATOM 0 HD11 LEU A 67 14.718 -0.899 -2.225 1.00 0.48 H new ATOM 0 HD12 LEU A 67 13.080 -1.446 -1.794 1.00 0.48 H new ATOM 0 HD13 LEU A 67 13.801 -1.933 -3.346 1.00 0.48 H new ATOM 0 HD21 LEU A 67 15.042 0.816 -3.973 1.00 0.47 H new ATOM 0 HD22 LEU A 67 14.133 -0.149 -5.160 1.00 0.47 H new ATOM 0 HD23 LEU A 67 13.639 1.524 -4.808 1.00 0.47 H new ATOM 999 N ILE A 68 8.800 0.080 -4.255 1.00 0.31 N ATOM 1000 CA ILE A 68 7.500 -0.383 -4.732 1.00 0.30 C ATOM 1001 C ILE A 68 6.671 0.769 -5.290 1.00 0.30 C ATOM 1002 O ILE A 68 6.908 1.931 -4.962 1.00 0.37 O ATOM 1003 CB ILE A 68 6.702 -1.073 -3.611 1.00 0.34 C ATOM 1004 CG1 ILE A 68 6.382 -0.076 -2.496 1.00 0.38 C ATOM 1005 CG2 ILE A 68 7.473 -2.265 -3.063 1.00 0.38 C ATOM 1006 CD1 ILE A 68 5.652 -0.694 -1.323 1.00 0.43 C ATOM 0 H ILE A 68 8.935 -0.005 -3.248 1.00 0.31 H new ATOM 0 HA ILE A 68 7.698 -1.103 -5.526 1.00 0.30 H new ATOM 0 HB ILE A 68 5.763 -1.438 -4.026 1.00 0.34 H new ATOM 0 HG12 ILE A 68 7.311 0.370 -2.141 1.00 0.38 H new ATOM 0 HG13 ILE A 68 5.776 0.732 -2.905 1.00 0.38 H new ATOM 0 HG21 ILE A 68 6.894 -2.740 -2.272 1.00 0.38 H new ATOM 0 HG22 ILE A 68 7.651 -2.983 -3.864 1.00 0.38 H new ATOM 0 HG23 ILE A 68 8.428 -1.927 -2.661 1.00 0.38 H new ATOM 0 HD11 ILE A 68 5.458 0.071 -0.571 1.00 0.43 H new ATOM 0 HD12 ILE A 68 4.706 -1.115 -1.664 1.00 0.43 H new ATOM 0 HD13 ILE A 68 6.265 -1.483 -0.888 1.00 0.43 H new ATOM 1017 N GLU A 69 5.698 0.436 -6.133 1.00 0.29 N ATOM 1018 CA GLU A 69 4.831 1.441 -6.734 1.00 0.32 C ATOM 1019 C GLU A 69 3.409 1.319 -6.194 1.00 0.31 C ATOM 1020 O GLU A 69 2.914 0.214 -5.974 1.00 0.37 O ATOM 1021 CB GLU A 69 4.823 1.288 -8.256 1.00 0.34 C ATOM 1022 CG GLU A 69 4.240 2.488 -8.985 1.00 0.44 C ATOM 1023 CD GLU A 69 5.005 3.766 -8.704 1.00 1.30 C ATOM 1024 OE1 GLU A 69 6.008 4.024 -9.402 1.00 1.26 O ATOM 1025 OE2 GLU A 69 4.600 4.510 -7.786 1.00 2.29 O ATOM 0 H GLU A 69 5.491 -0.522 -6.415 1.00 0.29 H new ATOM 0 HA GLU A 69 5.219 2.426 -6.475 1.00 0.32 H new ATOM 0 HB2 GLU A 69 5.844 1.124 -8.602 1.00 0.34 H new ATOM 0 HB3 GLU A 69 4.250 0.399 -8.521 1.00 0.34 H new ATOM 0 HG2 GLU A 69 4.244 2.294 -10.058 1.00 0.44 H new ATOM 0 HG3 GLU A 69 3.199 2.619 -8.689 1.00 0.44 H new ATOM 1030 N LEU A 70 2.759 2.458 -5.978 1.00 0.32 N ATOM 1031 CA LEU A 70 1.392 2.471 -5.467 1.00 0.33 C ATOM 1032 C LEU A 70 0.435 3.097 -6.476 1.00 0.33 C ATOM 1033 O LEU A 70 0.781 4.062 -7.159 1.00 0.45 O ATOM 1034 CB LEU A 70 1.320 3.235 -4.141 1.00 0.38 C ATOM 1035 CG LEU A 70 2.043 2.577 -2.963 1.00 0.95 C ATOM 1036 CD1 LEU A 70 1.629 1.120 -2.824 1.00 1.25 C ATOM 1037 CD2 LEU A 70 3.551 2.690 -3.127 1.00 1.85 C ATOM 0 H LEU A 70 3.155 3.382 -6.148 1.00 0.32 H new ATOM 0 HA LEU A 70 1.091 1.437 -5.299 1.00 0.33 H new ATOM 0 HB2 LEU A 70 1.738 4.230 -4.292 1.00 0.38 H new ATOM 0 HB3 LEU A 70 0.272 3.367 -3.874 1.00 0.38 H new ATOM 0 HG LEU A 70 1.757 3.103 -2.052 1.00 0.95 H new ATOM 0 HD11 LEU A 70 2.154 0.671 -1.981 1.00 1.25 H new ATOM 0 HD12 LEU A 70 0.554 1.062 -2.654 1.00 1.25 H new ATOM 0 HD13 LEU A 70 1.882 0.581 -3.737 1.00 1.25 H new ATOM 0 HD21 LEU A 70 4.046 2.216 -2.279 1.00 1.85 H new ATOM 0 HD22 LEU A 70 3.855 2.193 -4.048 1.00 1.85 H new ATOM 0 HD23 LEU A 70 3.834 3.742 -3.171 1.00 1.85 H new ATOM 1048 N GLU A 71 -0.769 2.541 -6.566 1.00 0.35 N ATOM 1049 CA GLU A 71 -1.780 3.047 -7.489 1.00 0.38 C ATOM 1050 C GLU A 71 -3.095 3.309 -6.759 1.00 0.37 C ATOM 1051 O GLU A 71 -3.660 2.412 -6.135 1.00 0.52 O ATOM 1052 CB GLU A 71 -2.006 2.051 -8.630 1.00 0.47 C ATOM 1053 CG GLU A 71 -2.979 2.547 -9.688 1.00 0.54 C ATOM 1054 CD GLU A 71 -2.490 3.802 -10.386 1.00 1.31 C ATOM 1055 OE1 GLU A 71 -1.747 3.677 -11.381 1.00 1.26 O ATOM 1056 OE2 GLU A 71 -2.852 4.910 -9.936 1.00 2.24 O ATOM 0 H GLU A 71 -1.069 1.740 -6.011 1.00 0.35 H new ATOM 0 HA GLU A 71 -1.420 3.988 -7.905 1.00 0.38 H new ATOM 0 HB2 GLU A 71 -1.049 1.830 -9.103 1.00 0.47 H new ATOM 0 HB3 GLU A 71 -2.380 1.115 -8.215 1.00 0.47 H new ATOM 0 HG2 GLU A 71 -3.137 1.762 -10.428 1.00 0.54 H new ATOM 0 HG3 GLU A 71 -3.945 2.747 -9.224 1.00 0.54 H new ATOM 1061 N ALA A 72 -3.575 4.547 -6.843 1.00 0.45 N ATOM 1062 CA ALA A 72 -4.821 4.930 -6.188 1.00 0.52 C ATOM 1063 C ALA A 72 -5.938 3.940 -6.499 1.00 0.44 C ATOM 1064 O ALA A 72 -5.755 3.007 -7.281 1.00 0.53 O ATOM 1065 CB ALA A 72 -5.228 6.334 -6.610 1.00 0.76 C ATOM 0 H ALA A 72 -3.120 5.301 -7.358 1.00 0.45 H new ATOM 0 HA ALA A 72 -4.652 4.917 -5.111 1.00 0.52 H new ATOM 0 HB1 ALA A 72 -6.159 6.607 -6.114 1.00 0.76 H new ATOM 0 HB2 ALA A 72 -4.446 7.040 -6.328 1.00 0.76 H new ATOM 0 HB3 ALA A 72 -5.370 6.362 -7.690 1.00 0.76 H new ATOM 1071 N VAL A 73 -7.094 4.149 -5.878 1.00 0.58 N ATOM 1072 CA VAL A 73 -8.243 3.276 -6.087 1.00 0.64 C ATOM 1073 C VAL A 73 -9.306 3.961 -6.939 1.00 0.83 C ATOM 1074 O VAL A 73 -9.113 5.082 -7.410 1.00 0.99 O ATOM 1075 CB VAL A 73 -8.873 2.846 -4.749 1.00 0.78 C ATOM 1076 CG1 VAL A 73 -7.863 2.089 -3.900 1.00 1.01 C ATOM 1077 CG2 VAL A 73 -9.412 4.055 -3.998 1.00 1.16 C ATOM 0 H VAL A 73 -7.260 4.915 -5.226 1.00 0.58 H new ATOM 0 HA VAL A 73 -7.877 2.392 -6.609 1.00 0.64 H new ATOM 0 HB VAL A 73 -9.707 2.178 -4.961 1.00 0.78 H new ATOM 0 HG11 VAL A 73 -8.327 1.794 -2.959 1.00 1.01 H new ATOM 0 HG12 VAL A 73 -7.531 1.200 -4.436 1.00 1.01 H new ATOM 0 HG13 VAL A 73 -7.006 2.730 -3.696 1.00 1.01 H new ATOM 0 HG21 VAL A 73 -9.853 3.731 -3.055 1.00 1.16 H new ATOM 0 HG22 VAL A 73 -8.598 4.751 -3.797 1.00 1.16 H new ATOM 0 HG23 VAL A 73 -10.172 4.550 -4.603 1.00 1.16 H new ATOM 1087 N ALA A 74 -10.430 3.278 -7.136 1.00 0.99 N ATOM 1088 CA ALA A 74 -11.524 3.820 -7.934 1.00 1.25 C ATOM 1089 C ALA A 74 -11.945 5.194 -7.426 1.00 1.66 C ATOM 1090 O ALA A 74 -12.448 5.326 -6.309 1.00 2.28 O ATOM 1091 CB ALA A 74 -12.708 2.866 -7.921 1.00 1.57 C ATOM 0 H ALA A 74 -10.607 2.349 -6.754 1.00 0.99 H new ATOM 0 HA ALA A 74 -11.172 3.933 -8.960 1.00 1.25 H new ATOM 0 HB1 ALA A 74 -13.518 3.283 -8.520 1.00 1.57 H new ATOM 0 HB2 ALA A 74 -12.406 1.905 -8.337 1.00 1.57 H new ATOM 0 HB3 ALA A 74 -13.051 2.725 -6.896 1.00 1.57 H new ATOM 1097 N GLN A 75 -11.740 6.214 -8.252 1.00 1.95 N ATOM 1098 CA GLN A 75 -12.099 7.579 -7.885 1.00 2.53 C ATOM 1099 C GLN A 75 -13.429 7.979 -8.519 1.00 2.88 C ATOM 1100 O GLN A 75 -13.733 7.589 -9.646 1.00 3.14 O ATOM 1101 CB GLN A 75 -11.001 8.551 -8.319 1.00 3.27 C ATOM 1102 CG GLN A 75 -9.617 8.171 -7.814 1.00 3.83 C ATOM 1103 CD GLN A 75 -9.551 8.086 -6.302 1.00 4.50 C ATOM 1104 OE1 GLN A 75 -9.787 7.029 -5.717 1.00 4.86 O ATOM 1105 NE2 GLN A 75 -9.229 9.203 -5.660 1.00 5.13 N ATOM 0 H GLN A 75 -11.327 6.122 -9.180 1.00 1.95 H new ATOM 0 HA GLN A 75 -12.205 7.623 -6.801 1.00 2.53 H new ATOM 0 HB2 GLN A 75 -10.981 8.600 -9.408 1.00 3.27 H new ATOM 0 HB3 GLN A 75 -11.248 9.550 -7.959 1.00 3.27 H new ATOM 0 HG2 GLN A 75 -9.330 7.210 -8.241 1.00 3.83 H new ATOM 0 HG3 GLN A 75 -8.892 8.905 -8.165 1.00 3.83 H new ATOM 0 HE21 GLN A 75 -9.041 10.057 -6.185 1.00 5.13 H new ATOM 0 HE22 GLN A 75 -9.169 9.207 -4.642 1.00 5.13 H new TER 1112 GLN A 75