USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 554 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 57 MET CE :methyl 162:sc= -0.0612 (180deg=-0.135) USER MOD Set 1.2: A 58 ASN :FLIP amide:sc= -4.08! F(o=-5,f=-4.1!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 59:sc= 0.981 USER MOD Single : A 3 SER OG : rot 42:sc= 0.427 USER MOD Single : A 5 SER OG : rot -130:sc= 0.975 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot -173:sc= 0.399 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -171:sc= -0.268 (180deg=-0.449) USER MOD Single : A 30 LYS NZ :NH3+ -107:sc= -1.61! (180deg=-4.49!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.108) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN :FLIP amide:sc= -0.0462 F(o=-1.6,f=-0.046) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 52:sc= 0.327 USER MOD Single : A 73 SER OG : rot 180:sc= -0.0123 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.155 -19.802 -1.215 1.00 0.00 N ATOM 2 CA GLY A 1 7.930 -20.540 -0.973 1.00 0.00 C ATOM 3 C GLY A 1 6.978 -19.797 -0.055 1.00 0.00 C ATOM 4 O GLY A 1 6.885 -20.106 1.133 1.00 0.00 O ATOM 0 H1 GLY A 1 9.772 -20.351 -1.847 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.928 -18.889 -1.659 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.644 -19.636 -0.312 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.434 -20.737 -1.923 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.173 -21.508 -0.534 1.00 0.00 H new ATOM 8 N SER A 2 6.272 -18.816 -0.607 1.00 0.00 N ATOM 9 CA SER A 2 5.327 -18.025 0.170 1.00 0.00 C ATOM 10 C SER A 2 5.904 -17.681 1.541 1.00 0.00 C ATOM 11 O SER A 2 5.211 -17.760 2.555 1.00 0.00 O ATOM 12 CB SER A 2 4.007 -18.782 0.335 1.00 0.00 C ATOM 13 OG SER A 2 4.092 -19.731 1.384 1.00 0.00 O ATOM 0 H SER A 2 6.337 -18.550 -1.590 1.00 0.00 H new ATOM 0 HA SER A 2 5.139 -17.097 -0.370 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.203 -18.076 0.543 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.755 -19.287 -0.597 1.00 0.00 H new ATOM 0 HG SER A 2 4.320 -19.274 2.221 1.00 0.00 H new ATOM 19 N SER A 3 7.176 -17.301 1.561 1.00 0.00 N ATOM 20 CA SER A 3 7.848 -16.950 2.807 1.00 0.00 C ATOM 21 C SER A 3 8.043 -15.441 2.912 1.00 0.00 C ATOM 22 O SER A 3 8.197 -14.752 1.906 1.00 0.00 O ATOM 23 CB SER A 3 9.202 -17.658 2.897 1.00 0.00 C ATOM 24 OG SER A 3 9.040 -19.064 2.954 1.00 0.00 O ATOM 0 H SER A 3 7.763 -17.228 0.730 1.00 0.00 H new ATOM 0 HA SER A 3 7.219 -17.276 3.635 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.812 -17.394 2.033 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.737 -17.314 3.782 1.00 0.00 H new ATOM 0 HG SER A 3 8.347 -19.339 2.318 1.00 0.00 H new ATOM 30 N GLY A 4 8.034 -14.934 4.141 1.00 0.00 N ATOM 31 CA GLY A 4 8.211 -13.509 4.357 1.00 0.00 C ATOM 32 C GLY A 4 8.007 -13.114 5.806 1.00 0.00 C ATOM 33 O GLY A 4 8.816 -13.454 6.669 1.00 0.00 O ATOM 0 H GLY A 4 7.907 -15.484 4.991 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.213 -13.218 4.042 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.508 -12.959 3.731 1.00 0.00 H new ATOM 37 N SER A 5 6.923 -12.390 6.074 1.00 0.00 N ATOM 38 CA SER A 5 6.620 -11.942 7.428 1.00 0.00 C ATOM 39 C SER A 5 6.200 -13.115 8.307 1.00 0.00 C ATOM 40 O SER A 5 5.745 -14.146 7.810 1.00 0.00 O ATOM 41 CB SER A 5 5.512 -10.887 7.402 1.00 0.00 C ATOM 42 OG SER A 5 4.240 -11.488 7.231 1.00 0.00 O ATOM 0 H SER A 5 6.242 -12.102 5.372 1.00 0.00 H new ATOM 0 HA SER A 5 7.523 -11.500 7.849 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.526 -10.317 8.331 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.696 -10.181 6.592 1.00 0.00 H new ATOM 0 HG SER A 5 3.756 -11.030 6.512 1.00 0.00 H new ATOM 48 N SER A 6 6.357 -12.952 9.617 1.00 0.00 N ATOM 49 CA SER A 6 5.998 -13.998 10.566 1.00 0.00 C ATOM 50 C SER A 6 4.544 -14.421 10.384 1.00 0.00 C ATOM 51 O SER A 6 4.236 -15.610 10.309 1.00 0.00 O ATOM 52 CB SER A 6 6.225 -13.515 11.999 1.00 0.00 C ATOM 53 OG SER A 6 6.353 -14.607 12.892 1.00 0.00 O ATOM 0 H SER A 6 6.731 -12.105 10.045 1.00 0.00 H new ATOM 0 HA SER A 6 6.636 -14.861 10.376 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.124 -12.900 12.040 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.392 -12.883 12.309 1.00 0.00 H new ATOM 0 HG SER A 6 6.499 -14.271 13.801 1.00 0.00 H new ATOM 59 N GLY A 7 3.651 -13.437 10.315 1.00 0.00 N ATOM 60 CA GLY A 7 2.239 -13.726 10.144 1.00 0.00 C ATOM 61 C GLY A 7 1.446 -12.507 9.720 1.00 0.00 C ATOM 62 O GLY A 7 1.496 -11.467 10.377 1.00 0.00 O ATOM 0 H GLY A 7 3.881 -12.445 10.375 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.120 -14.511 9.397 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.834 -14.112 11.080 1.00 0.00 H new ATOM 66 N ASP A 8 0.711 -12.633 8.620 1.00 0.00 N ATOM 67 CA ASP A 8 -0.096 -11.532 8.109 1.00 0.00 C ATOM 68 C ASP A 8 -1.490 -11.548 8.729 1.00 0.00 C ATOM 69 O ASP A 8 -2.040 -12.600 9.053 1.00 0.00 O ATOM 70 CB ASP A 8 -0.201 -11.613 6.584 1.00 0.00 C ATOM 71 CG ASP A 8 1.087 -12.085 5.940 1.00 0.00 C ATOM 72 OD1 ASP A 8 2.048 -11.289 5.881 1.00 0.00 O ATOM 73 OD2 ASP A 8 1.134 -13.252 5.496 1.00 0.00 O ATOM 0 H ASP A 8 0.658 -13.487 8.065 1.00 0.00 H new ATOM 0 HA ASP A 8 0.393 -10.597 8.382 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -1.009 -12.293 6.314 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -0.464 -10.632 6.188 1.00 0.00 H new ATOM 78 N PRO A 9 -2.076 -10.354 8.898 1.00 0.00 N ATOM 79 CA PRO A 9 -3.413 -10.203 9.481 1.00 0.00 C ATOM 80 C PRO A 9 -4.509 -10.720 8.556 1.00 0.00 C ATOM 81 O PRO A 9 -4.302 -10.921 7.360 1.00 0.00 O ATOM 82 CB PRO A 9 -3.546 -8.690 9.675 1.00 0.00 C ATOM 83 CG PRO A 9 -2.626 -8.095 8.667 1.00 0.00 C ATOM 84 CD PRO A 9 -1.479 -9.057 8.534 1.00 0.00 C ATOM 0 HA PRO A 9 -3.524 -10.776 10.402 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -4.573 -8.360 9.517 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -3.268 -8.395 10.687 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -3.132 -7.956 7.711 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.277 -7.114 8.989 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -1.080 -9.069 7.520 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -0.655 -8.794 9.197 1.00 0.00 H new ATOM 92 N PRO A 10 -5.707 -10.939 9.120 1.00 0.00 N ATOM 93 CA PRO A 10 -6.861 -11.433 8.363 1.00 0.00 C ATOM 94 C PRO A 10 -7.402 -10.395 7.387 1.00 0.00 C ATOM 95 O PRO A 10 -7.688 -10.706 6.231 1.00 0.00 O ATOM 96 CB PRO A 10 -7.894 -11.736 9.451 1.00 0.00 C ATOM 97 CG PRO A 10 -7.524 -10.844 10.584 1.00 0.00 C ATOM 98 CD PRO A 10 -6.026 -10.719 10.541 1.00 0.00 C ATOM 0 HA PRO A 10 -6.606 -12.295 7.746 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -8.907 -11.534 9.102 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -7.862 -12.785 9.746 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -8.000 -9.869 10.484 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -7.853 -11.264 11.535 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -5.695 -9.738 10.880 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -5.542 -11.457 11.181 1.00 0.00 H new ATOM 106 N TRP A 11 -7.538 -9.161 7.859 1.00 0.00 N ATOM 107 CA TRP A 11 -8.045 -8.076 7.026 1.00 0.00 C ATOM 108 C TRP A 11 -7.225 -7.941 5.748 1.00 0.00 C ATOM 109 O TRP A 11 -7.740 -7.525 4.712 1.00 0.00 O ATOM 110 CB TRP A 11 -8.023 -6.758 7.802 1.00 0.00 C ATOM 111 CG TRP A 11 -6.653 -6.364 8.267 1.00 0.00 C ATOM 112 CD1 TRP A 11 -6.147 -6.494 9.527 1.00 0.00 C ATOM 113 CD2 TRP A 11 -5.616 -5.776 7.474 1.00 0.00 C ATOM 114 NE1 TRP A 11 -4.858 -6.022 9.568 1.00 0.00 N ATOM 115 CE2 TRP A 11 -4.508 -5.577 8.322 1.00 0.00 C ATOM 116 CE3 TRP A 11 -5.514 -5.401 6.132 1.00 0.00 C ATOM 117 CZ2 TRP A 11 -3.316 -5.018 7.867 1.00 0.00 C ATOM 118 CZ3 TRP A 11 -4.331 -4.845 5.684 1.00 0.00 C ATOM 119 CH2 TRP A 11 -3.244 -4.659 6.549 1.00 0.00 C ATOM 0 H TRP A 11 -7.305 -8.887 8.813 1.00 0.00 H new ATOM 0 HA TRP A 11 -9.073 -8.312 6.752 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -8.426 -5.966 7.170 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -8.682 -6.843 8.666 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -6.682 -6.908 10.369 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -4.259 -6.006 10.393 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -6.345 -5.543 5.457 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -2.477 -4.873 8.532 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -4.242 -4.549 4.649 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -2.332 -4.224 6.168 1.00 0.00 H new ATOM 130 N ALA A 12 -5.948 -8.298 5.829 1.00 0.00 N ATOM 131 CA ALA A 12 -5.058 -8.220 4.677 1.00 0.00 C ATOM 132 C ALA A 12 -5.546 -9.115 3.544 1.00 0.00 C ATOM 133 O ALA A 12 -6.268 -10.089 3.759 1.00 0.00 O ATOM 134 CB ALA A 12 -3.639 -8.598 5.080 1.00 0.00 C ATOM 0 H ALA A 12 -5.506 -8.644 6.681 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.059 -7.191 4.317 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -2.985 -8.536 4.210 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.285 -7.913 5.850 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -3.630 -9.616 5.468 1.00 0.00 H new ATOM 140 N PRO A 13 -5.144 -8.781 2.310 1.00 0.00 N ATOM 141 CA PRO A 13 -5.530 -9.543 1.117 1.00 0.00 C ATOM 142 C PRO A 13 -4.866 -10.915 1.068 1.00 0.00 C ATOM 143 O PRO A 13 -3.769 -11.104 1.593 1.00 0.00 O ATOM 144 CB PRO A 13 -5.036 -8.668 -0.037 1.00 0.00 C ATOM 145 CG PRO A 13 -3.919 -7.871 0.541 1.00 0.00 C ATOM 146 CD PRO A 13 -4.282 -7.633 1.980 1.00 0.00 C ATOM 0 HA PRO A 13 -6.601 -9.744 1.089 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -4.696 -9.275 -0.876 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -5.830 -8.022 -0.412 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -2.974 -8.408 0.461 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -3.796 -6.928 0.008 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -3.398 -7.598 2.617 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -4.806 -6.686 2.111 1.00 0.00 H new ATOM 154 N ARG A 14 -5.539 -11.869 0.433 1.00 0.00 N ATOM 155 CA ARG A 14 -5.014 -13.225 0.316 1.00 0.00 C ATOM 156 C ARG A 14 -3.851 -13.274 -0.673 1.00 0.00 C ATOM 157 O ARG A 14 -2.796 -13.831 -0.376 1.00 0.00 O ATOM 158 CB ARG A 14 -6.118 -14.184 -0.132 1.00 0.00 C ATOM 159 CG ARG A 14 -7.050 -14.606 0.992 1.00 0.00 C ATOM 160 CD ARG A 14 -8.434 -14.955 0.468 1.00 0.00 C ATOM 161 NE ARG A 14 -9.311 -15.453 1.525 1.00 0.00 N ATOM 162 CZ ARG A 14 -10.619 -15.632 1.371 1.00 0.00 C ATOM 163 NH1 ARG A 14 -11.196 -15.355 0.210 1.00 0.00 N ATOM 164 NH2 ARG A 14 -11.349 -16.088 2.379 1.00 0.00 N ATOM 0 H ARG A 14 -6.448 -11.729 -0.008 1.00 0.00 H new ATOM 0 HA ARG A 14 -4.649 -13.533 1.296 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -6.703 -13.709 -0.919 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -5.661 -15.073 -0.567 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -6.629 -15.467 1.511 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -7.129 -13.801 1.722 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -8.882 -14.072 0.012 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -8.346 -15.709 -0.315 1.00 0.00 H new ATOM 0 HE ARG A 14 -8.897 -15.675 2.430 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -10.636 -15.004 -0.567 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -12.200 -15.493 0.094 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -10.907 -16.302 3.273 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -12.353 -16.225 2.261 1.00 0.00 H new ATOM 178 N SER A 15 -4.056 -12.687 -1.848 1.00 0.00 N ATOM 179 CA SER A 15 -3.026 -12.668 -2.881 1.00 0.00 C ATOM 180 C SER A 15 -2.806 -11.251 -3.402 1.00 0.00 C ATOM 181 O SER A 15 -3.556 -10.764 -4.248 1.00 0.00 O ATOM 182 CB SER A 15 -3.417 -13.592 -4.035 1.00 0.00 C ATOM 183 OG SER A 15 -2.353 -13.728 -4.961 1.00 0.00 O ATOM 0 H SER A 15 -4.924 -12.219 -2.108 1.00 0.00 H new ATOM 0 HA SER A 15 -2.095 -13.023 -2.439 1.00 0.00 H new ATOM 0 HB2 SER A 15 -3.691 -14.572 -3.644 1.00 0.00 H new ATOM 0 HB3 SER A 15 -4.296 -13.194 -4.542 1.00 0.00 H new ATOM 0 HG SER A 15 -2.627 -14.325 -5.689 1.00 0.00 H new ATOM 189 N TYR A 16 -1.772 -10.594 -2.888 1.00 0.00 N ATOM 190 CA TYR A 16 -1.452 -9.231 -3.299 1.00 0.00 C ATOM 191 C TYR A 16 -0.233 -9.210 -4.213 1.00 0.00 C ATOM 192 O TYR A 16 0.710 -9.980 -4.029 1.00 0.00 O ATOM 193 CB TYR A 16 -1.200 -8.352 -2.072 1.00 0.00 C ATOM 194 CG TYR A 16 -0.058 -8.836 -1.207 1.00 0.00 C ATOM 195 CD1 TYR A 16 1.259 -8.524 -1.524 1.00 0.00 C ATOM 196 CD2 TYR A 16 -0.295 -9.601 -0.072 1.00 0.00 C ATOM 197 CE1 TYR A 16 2.306 -8.964 -0.737 1.00 0.00 C ATOM 198 CE2 TYR A 16 0.746 -10.042 0.722 1.00 0.00 C ATOM 199 CZ TYR A 16 2.045 -9.723 0.385 1.00 0.00 C ATOM 200 OH TYR A 16 3.085 -10.161 1.172 1.00 0.00 O ATOM 0 H TYR A 16 -1.141 -10.982 -2.187 1.00 0.00 H new ATOM 0 HA TYR A 16 -2.304 -8.836 -3.852 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -0.990 -7.334 -2.401 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -2.109 -8.312 -1.471 1.00 0.00 H new ATOM 0 HD1 TYR A 16 1.467 -7.928 -2.400 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -1.310 -9.855 0.194 1.00 0.00 H new ATOM 0 HE1 TYR A 16 3.324 -8.715 -0.999 1.00 0.00 H new ATOM 0 HE2 TYR A 16 0.544 -10.634 1.602 1.00 0.00 H new ATOM 0 HH TYR A 16 2.730 -10.681 1.923 1.00 0.00 H new ATOM 210 N LEU A 17 -0.257 -8.321 -5.201 1.00 0.00 N ATOM 211 CA LEU A 17 0.846 -8.196 -6.146 1.00 0.00 C ATOM 212 C LEU A 17 2.180 -8.086 -5.415 1.00 0.00 C ATOM 213 O LEU A 17 3.015 -8.987 -5.489 1.00 0.00 O ATOM 214 CB LEU A 17 0.641 -6.974 -7.042 1.00 0.00 C ATOM 215 CG LEU A 17 -0.463 -7.090 -8.094 1.00 0.00 C ATOM 216 CD1 LEU A 17 -0.780 -5.727 -8.688 1.00 0.00 C ATOM 217 CD2 LEU A 17 -0.059 -8.069 -9.186 1.00 0.00 C ATOM 0 H LEU A 17 -1.029 -7.676 -5.368 1.00 0.00 H new ATOM 0 HA LEU A 17 0.864 -9.093 -6.765 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.421 -6.116 -6.407 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.580 -6.761 -7.552 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.362 -7.470 -7.608 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.568 -5.830 -9.434 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.114 -5.055 -7.898 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.114 -5.318 -9.158 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.857 -8.139 -9.926 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.854 -7.719 -9.669 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.116 -9.051 -8.747 1.00 0.00 H new ATOM 229 N GLU A 18 2.371 -6.978 -4.706 1.00 0.00 N ATOM 230 CA GLU A 18 3.603 -6.752 -3.960 1.00 0.00 C ATOM 231 C GLU A 18 3.318 -6.035 -2.643 1.00 0.00 C ATOM 232 O GLU A 18 2.171 -5.708 -2.336 1.00 0.00 O ATOM 233 CB GLU A 18 4.588 -5.931 -4.796 1.00 0.00 C ATOM 234 CG GLU A 18 4.153 -4.493 -5.013 1.00 0.00 C ATOM 235 CD GLU A 18 5.299 -3.591 -5.425 1.00 0.00 C ATOM 236 OE1 GLU A 18 6.106 -4.011 -6.282 1.00 0.00 O ATOM 237 OE2 GLU A 18 5.392 -2.465 -4.892 1.00 0.00 O ATOM 0 H GLU A 18 1.689 -6.223 -4.633 1.00 0.00 H new ATOM 0 HA GLU A 18 4.046 -7.723 -3.738 1.00 0.00 H new ATOM 0 HB2 GLU A 18 5.561 -5.937 -4.305 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.718 -6.412 -5.765 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.379 -4.464 -5.780 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.707 -4.110 -4.095 1.00 0.00 H new ATOM 244 N LYS A 19 4.369 -5.796 -1.867 1.00 0.00 N ATOM 245 CA LYS A 19 4.235 -5.119 -0.582 1.00 0.00 C ATOM 246 C LYS A 19 5.112 -3.871 -0.530 1.00 0.00 C ATOM 247 O LYS A 19 6.231 -3.866 -1.044 1.00 0.00 O ATOM 248 CB LYS A 19 4.609 -6.067 0.560 1.00 0.00 C ATOM 249 CG LYS A 19 4.497 -5.435 1.936 1.00 0.00 C ATOM 250 CD LYS A 19 5.390 -6.136 2.946 1.00 0.00 C ATOM 251 CE LYS A 19 5.015 -5.768 4.372 1.00 0.00 C ATOM 252 NZ LYS A 19 6.178 -5.872 5.296 1.00 0.00 N ATOM 0 H LYS A 19 5.325 -6.061 -2.105 1.00 0.00 H new ATOM 0 HA LYS A 19 3.194 -4.815 -0.467 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.964 -6.944 0.519 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.631 -6.416 0.412 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.770 -4.381 1.877 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.461 -5.477 2.274 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.311 -7.215 2.815 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.430 -5.867 2.761 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.624 -4.751 4.394 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.216 -6.424 4.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.881 -5.613 6.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.536 -6.849 5.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.931 -5.227 4.981 1.00 0.00 H new ATOM 266 N VAL A 20 4.597 -2.817 0.095 1.00 0.00 N ATOM 267 CA VAL A 20 5.335 -1.565 0.216 1.00 0.00 C ATOM 268 C VAL A 20 5.189 -0.976 1.616 1.00 0.00 C ATOM 269 O VAL A 20 4.433 -1.487 2.442 1.00 0.00 O ATOM 270 CB VAL A 20 4.856 -0.530 -0.816 1.00 0.00 C ATOM 271 CG1 VAL A 20 5.138 -1.015 -2.231 1.00 0.00 C ATOM 272 CG2 VAL A 20 3.374 -0.236 -0.632 1.00 0.00 C ATOM 0 H VAL A 20 3.672 -2.805 0.525 1.00 0.00 H new ATOM 0 HA VAL A 20 6.384 -1.795 0.028 1.00 0.00 H new ATOM 0 HB VAL A 20 5.409 0.396 -0.656 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.792 -0.269 -2.947 1.00 0.00 H new ATOM 0 HG12 VAL A 20 6.210 -1.168 -2.356 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.614 -1.955 -2.405 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.054 0.498 -1.371 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.802 -1.155 -0.762 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.203 0.159 0.369 1.00 0.00 H new ATOM 282 N VAL A 21 5.920 0.102 1.876 1.00 0.00 N ATOM 283 CA VAL A 21 5.873 0.764 3.175 1.00 0.00 C ATOM 284 C VAL A 21 5.755 2.275 3.017 1.00 0.00 C ATOM 285 O VAL A 21 6.228 2.847 2.036 1.00 0.00 O ATOM 286 CB VAL A 21 7.123 0.443 4.014 1.00 0.00 C ATOM 287 CG1 VAL A 21 8.368 1.028 3.366 1.00 0.00 C ATOM 288 CG2 VAL A 21 6.957 0.959 5.435 1.00 0.00 C ATOM 0 H VAL A 21 6.553 0.537 1.204 1.00 0.00 H new ATOM 0 HA VAL A 21 4.991 0.385 3.692 1.00 0.00 H new ATOM 0 HB VAL A 21 7.242 -0.640 4.057 1.00 0.00 H new ATOM 0 HG11 VAL A 21 9.241 0.790 3.974 1.00 0.00 H new ATOM 0 HG12 VAL A 21 8.493 0.604 2.370 1.00 0.00 H new ATOM 0 HG13 VAL A 21 8.264 2.110 3.289 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.850 0.724 6.014 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.812 2.039 5.415 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.090 0.485 5.895 1.00 0.00 H new ATOM 298 N ALA A 22 5.121 2.918 3.992 1.00 0.00 N ATOM 299 CA ALA A 22 4.942 4.365 3.964 1.00 0.00 C ATOM 300 C ALA A 22 6.094 5.073 4.670 1.00 0.00 C ATOM 301 O ALA A 22 6.093 5.207 5.895 1.00 0.00 O ATOM 302 CB ALA A 22 3.615 4.745 4.602 1.00 0.00 C ATOM 0 H ALA A 22 4.723 2.460 4.812 1.00 0.00 H new ATOM 0 HA ALA A 22 4.936 4.686 2.922 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.495 5.828 4.574 1.00 0.00 H new ATOM 0 HB2 ALA A 22 2.799 4.275 4.053 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.598 4.405 5.637 1.00 0.00 H new ATOM 308 N ILE A 23 7.070 5.526 3.892 1.00 0.00 N ATOM 309 CA ILE A 23 8.227 6.221 4.445 1.00 0.00 C ATOM 310 C ILE A 23 7.855 7.626 4.903 1.00 0.00 C ATOM 311 O ILE A 23 8.626 8.287 5.599 1.00 0.00 O ATOM 312 CB ILE A 23 9.371 6.313 3.418 1.00 0.00 C ATOM 313 CG1 ILE A 23 8.868 6.943 2.118 1.00 0.00 C ATOM 314 CG2 ILE A 23 9.958 4.935 3.153 1.00 0.00 C ATOM 315 CD1 ILE A 23 9.973 7.258 1.132 1.00 0.00 C ATOM 0 H ILE A 23 7.084 5.425 2.877 1.00 0.00 H new ATOM 0 HA ILE A 23 8.566 5.640 5.303 1.00 0.00 H new ATOM 0 HB ILE A 23 10.157 6.948 3.827 1.00 0.00 H new ATOM 0 HG12 ILE A 23 8.155 6.266 1.648 1.00 0.00 H new ATOM 0 HG13 ILE A 23 8.329 7.861 2.353 1.00 0.00 H new ATOM 0 HG21 ILE A 23 10.765 5.017 2.425 1.00 0.00 H new ATOM 0 HG22 ILE A 23 10.348 4.521 4.083 1.00 0.00 H new ATOM 0 HG23 ILE A 23 9.182 4.278 2.761 1.00 0.00 H new ATOM 0 HD11 ILE A 23 9.544 7.702 0.234 1.00 0.00 H new ATOM 0 HD12 ILE A 23 10.675 7.959 1.584 1.00 0.00 H new ATOM 0 HD13 ILE A 23 10.497 6.340 0.867 1.00 0.00 H new ATOM 327 N TYR A 24 6.668 8.076 4.511 1.00 0.00 N ATOM 328 CA TYR A 24 6.194 9.404 4.882 1.00 0.00 C ATOM 329 C TYR A 24 4.770 9.342 5.427 1.00 0.00 C ATOM 330 O TYR A 24 4.120 8.297 5.378 1.00 0.00 O ATOM 331 CB TYR A 24 6.249 10.343 3.676 1.00 0.00 C ATOM 332 CG TYR A 24 7.656 10.675 3.231 1.00 0.00 C ATOM 333 CD1 TYR A 24 8.513 11.395 4.052 1.00 0.00 C ATOM 334 CD2 TYR A 24 8.127 10.266 1.989 1.00 0.00 C ATOM 335 CE1 TYR A 24 9.800 11.701 3.649 1.00 0.00 C ATOM 336 CE2 TYR A 24 9.412 10.566 1.578 1.00 0.00 C ATOM 337 CZ TYR A 24 10.244 11.283 2.412 1.00 0.00 C ATOM 338 OH TYR A 24 11.524 11.586 2.006 1.00 0.00 O ATOM 0 H TYR A 24 6.017 7.541 3.937 1.00 0.00 H new ATOM 0 HA TYR A 24 6.847 9.789 5.665 1.00 0.00 H new ATOM 0 HB2 TYR A 24 5.712 9.885 2.845 1.00 0.00 H new ATOM 0 HB3 TYR A 24 5.727 11.268 3.922 1.00 0.00 H new ATOM 0 HD1 TYR A 24 8.169 11.722 5.022 1.00 0.00 H new ATOM 0 HD2 TYR A 24 7.478 9.704 1.334 1.00 0.00 H new ATOM 0 HE1 TYR A 24 10.453 12.264 4.299 1.00 0.00 H new ATOM 0 HE2 TYR A 24 9.762 10.241 0.610 1.00 0.00 H new ATOM 0 HH TYR A 24 11.679 11.218 1.111 1.00 0.00 H new ATOM 348 N ASP A 25 4.292 10.467 5.945 1.00 0.00 N ATOM 349 CA ASP A 25 2.945 10.543 6.498 1.00 0.00 C ATOM 350 C ASP A 25 2.011 11.294 5.554 1.00 0.00 C ATOM 351 O ASP A 25 1.963 12.525 5.561 1.00 0.00 O ATOM 352 CB ASP A 25 2.969 11.229 7.864 1.00 0.00 C ATOM 353 CG ASP A 25 3.825 12.481 7.868 1.00 0.00 C ATOM 354 OD1 ASP A 25 3.373 13.510 7.326 1.00 0.00 O ATOM 355 OD2 ASP A 25 4.947 12.431 8.413 1.00 0.00 O ATOM 0 H ASP A 25 4.817 11.340 5.994 1.00 0.00 H new ATOM 0 HA ASP A 25 2.571 9.526 6.618 1.00 0.00 H new ATOM 0 HB2 ASP A 25 1.951 11.487 8.156 1.00 0.00 H new ATOM 0 HB3 ASP A 25 3.347 10.531 8.611 1.00 0.00 H new ATOM 360 N TYR A 26 1.273 10.546 4.742 1.00 0.00 N ATOM 361 CA TYR A 26 0.343 11.141 3.788 1.00 0.00 C ATOM 362 C TYR A 26 -1.083 11.117 4.330 1.00 0.00 C ATOM 363 O TYR A 26 -1.426 10.285 5.171 1.00 0.00 O ATOM 364 CB TYR A 26 0.405 10.400 2.452 1.00 0.00 C ATOM 365 CG TYR A 26 -0.495 10.990 1.389 1.00 0.00 C ATOM 366 CD1 TYR A 26 -0.444 12.343 1.079 1.00 0.00 C ATOM 367 CD2 TYR A 26 -1.396 10.192 0.695 1.00 0.00 C ATOM 368 CE1 TYR A 26 -1.265 12.886 0.111 1.00 0.00 C ATOM 369 CE2 TYR A 26 -2.221 10.726 -0.276 1.00 0.00 C ATOM 370 CZ TYR A 26 -2.152 12.073 -0.565 1.00 0.00 C ATOM 371 OH TYR A 26 -2.972 12.609 -1.532 1.00 0.00 O ATOM 0 H TYR A 26 1.300 9.527 4.725 1.00 0.00 H new ATOM 0 HA TYR A 26 0.637 12.179 3.633 1.00 0.00 H new ATOM 0 HB2 TYR A 26 1.433 10.406 2.090 1.00 0.00 H new ATOM 0 HB3 TYR A 26 0.130 9.357 2.611 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.250 12.982 1.605 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.452 9.137 0.918 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -1.213 13.941 -0.116 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -2.916 10.092 -0.806 1.00 0.00 H new ATOM 0 HH TYR A 26 -3.607 11.928 -1.837 1.00 0.00 H new ATOM 381 N THR A 27 -1.911 12.034 3.840 1.00 0.00 N ATOM 382 CA THR A 27 -3.300 12.120 4.274 1.00 0.00 C ATOM 383 C THR A 27 -4.253 12.020 3.089 1.00 0.00 C ATOM 384 O THR A 27 -4.078 12.703 2.080 1.00 0.00 O ATOM 385 CB THR A 27 -3.572 13.435 5.029 1.00 0.00 C ATOM 386 OG1 THR A 27 -2.733 13.519 6.186 1.00 0.00 O ATOM 387 CG2 THR A 27 -5.032 13.526 5.448 1.00 0.00 C ATOM 0 H THR A 27 -1.644 12.728 3.142 1.00 0.00 H new ATOM 0 HA THR A 27 -3.474 11.281 4.948 1.00 0.00 H new ATOM 0 HB THR A 27 -3.350 14.265 4.359 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.911 14.359 6.659 1.00 0.00 H new ATOM 0 HG21 THR A 27 -5.200 14.463 5.979 1.00 0.00 H new ATOM 0 HG22 THR A 27 -5.667 13.492 4.563 1.00 0.00 H new ATOM 0 HG23 THR A 27 -5.276 12.689 6.102 1.00 0.00 H new ATOM 395 N LYS A 28 -5.262 11.165 3.219 1.00 0.00 N ATOM 396 CA LYS A 28 -6.246 10.977 2.159 1.00 0.00 C ATOM 397 C LYS A 28 -7.262 12.114 2.152 1.00 0.00 C ATOM 398 O LYS A 28 -7.890 12.406 3.170 1.00 0.00 O ATOM 399 CB LYS A 28 -6.965 9.637 2.335 1.00 0.00 C ATOM 400 CG LYS A 28 -7.967 9.631 3.475 1.00 0.00 C ATOM 401 CD LYS A 28 -9.348 10.057 3.007 1.00 0.00 C ATOM 402 CE LYS A 28 -10.115 8.891 2.402 1.00 0.00 C ATOM 403 NZ LYS A 28 -11.577 9.168 2.325 1.00 0.00 N ATOM 0 H LYS A 28 -5.420 10.591 4.048 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.720 10.978 1.204 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.480 9.386 1.408 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.224 8.857 2.509 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.021 8.632 3.908 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.626 10.302 4.263 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.908 10.466 3.848 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -9.254 10.854 2.269 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.732 8.684 1.403 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.946 7.996 3.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -12.081 8.300 2.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.919 9.489 3.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.753 9.908 1.616 1.00 0.00 H new ATOM 417 N ASP A 29 -7.420 12.753 0.997 1.00 0.00 N ATOM 418 CA ASP A 29 -8.361 13.858 0.857 1.00 0.00 C ATOM 419 C ASP A 29 -9.687 13.371 0.279 1.00 0.00 C ATOM 420 O ASP A 29 -10.751 13.614 0.848 1.00 0.00 O ATOM 421 CB ASP A 29 -7.771 14.950 -0.037 1.00 0.00 C ATOM 422 CG ASP A 29 -8.647 16.186 -0.095 1.00 0.00 C ATOM 423 OD1 ASP A 29 -9.766 16.097 -0.641 1.00 0.00 O ATOM 424 OD2 ASP A 29 -8.210 17.245 0.406 1.00 0.00 O ATOM 0 H ASP A 29 -6.908 12.524 0.145 1.00 0.00 H new ATOM 0 HA ASP A 29 -8.546 14.273 1.848 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.784 15.225 0.334 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.635 14.557 -1.044 1.00 0.00 H new ATOM 429 N LYS A 30 -9.615 12.684 -0.856 1.00 0.00 N ATOM 430 CA LYS A 30 -10.808 12.161 -1.512 1.00 0.00 C ATOM 431 C LYS A 30 -11.044 10.702 -1.133 1.00 0.00 C ATOM 432 O LYS A 30 -10.151 10.035 -0.612 1.00 0.00 O ATOM 433 CB LYS A 30 -10.677 12.290 -3.031 1.00 0.00 C ATOM 434 CG LYS A 30 -10.326 13.694 -3.494 1.00 0.00 C ATOM 435 CD LYS A 30 -11.570 14.502 -3.818 1.00 0.00 C ATOM 436 CE LYS A 30 -12.196 15.090 -2.561 1.00 0.00 C ATOM 437 NZ LYS A 30 -13.233 14.190 -1.986 1.00 0.00 N ATOM 0 H LYS A 30 -8.742 12.476 -1.341 1.00 0.00 H new ATOM 0 HA LYS A 30 -11.663 12.747 -1.176 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.911 11.599 -3.381 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -11.616 11.987 -3.495 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -9.754 14.202 -2.718 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -9.688 13.638 -4.376 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -11.314 15.306 -4.508 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -12.296 13.866 -4.324 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -11.419 15.270 -1.818 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -12.643 16.056 -2.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -14.177 14.589 -2.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -13.164 13.252 -2.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -13.084 14.099 -0.961 1.00 0.00 H new ATOM 451 N GLU A 31 -12.250 10.213 -1.401 1.00 0.00 N ATOM 452 CA GLU A 31 -12.601 8.833 -1.089 1.00 0.00 C ATOM 453 C GLU A 31 -11.689 7.859 -1.828 1.00 0.00 C ATOM 454 O GLU A 31 -11.442 6.746 -1.362 1.00 0.00 O ATOM 455 CB GLU A 31 -14.060 8.559 -1.453 1.00 0.00 C ATOM 456 CG GLU A 31 -15.056 9.336 -0.608 1.00 0.00 C ATOM 457 CD GLU A 31 -15.465 8.590 0.646 1.00 0.00 C ATOM 458 OE1 GLU A 31 -14.766 8.727 1.672 1.00 0.00 O ATOM 459 OE2 GLU A 31 -16.484 7.870 0.604 1.00 0.00 O ATOM 0 H GLU A 31 -13.000 10.752 -1.833 1.00 0.00 H new ATOM 0 HA GLU A 31 -12.468 8.686 -0.017 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -14.216 8.807 -2.503 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -14.258 7.493 -1.344 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -14.620 10.295 -0.329 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -15.943 9.550 -1.204 1.00 0.00 H new ATOM 466 N ASP A 32 -11.191 8.285 -2.983 1.00 0.00 N ATOM 467 CA ASP A 32 -10.305 7.453 -3.788 1.00 0.00 C ATOM 468 C ASP A 32 -8.853 7.620 -3.351 1.00 0.00 C ATOM 469 O ASP A 32 -7.954 7.728 -4.183 1.00 0.00 O ATOM 470 CB ASP A 32 -10.448 7.803 -5.271 1.00 0.00 C ATOM 471 CG ASP A 32 -11.810 7.432 -5.825 1.00 0.00 C ATOM 472 OD1 ASP A 32 -12.048 6.227 -6.053 1.00 0.00 O ATOM 473 OD2 ASP A 32 -12.635 8.345 -6.030 1.00 0.00 O ATOM 0 H ASP A 32 -11.386 9.203 -3.383 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.592 6.412 -3.639 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -10.283 8.872 -5.407 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.675 7.286 -5.839 1.00 0.00 H new ATOM 478 N GLU A 33 -8.635 7.645 -2.040 1.00 0.00 N ATOM 479 CA GLU A 33 -7.293 7.803 -1.493 1.00 0.00 C ATOM 480 C GLU A 33 -7.154 7.058 -0.168 1.00 0.00 C ATOM 481 O GLU A 33 -8.135 6.859 0.551 1.00 0.00 O ATOM 482 CB GLU A 33 -6.970 9.285 -1.294 1.00 0.00 C ATOM 483 CG GLU A 33 -6.943 10.081 -2.588 1.00 0.00 C ATOM 484 CD GLU A 33 -6.179 11.384 -2.454 1.00 0.00 C ATOM 485 OE1 GLU A 33 -6.619 12.251 -1.668 1.00 0.00 O ATOM 486 OE2 GLU A 33 -5.145 11.539 -3.135 1.00 0.00 O ATOM 0 H GLU A 33 -9.370 7.558 -1.338 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.586 7.377 -2.205 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -7.710 9.723 -0.623 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -6.001 9.374 -0.802 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -6.489 9.476 -3.373 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.965 10.294 -2.901 1.00 0.00 H new ATOM 493 N LEU A 34 -5.930 6.649 0.149 1.00 0.00 N ATOM 494 CA LEU A 34 -5.662 5.924 1.387 1.00 0.00 C ATOM 495 C LEU A 34 -4.820 6.769 2.338 1.00 0.00 C ATOM 496 O LEU A 34 -3.792 7.322 1.948 1.00 0.00 O ATOM 497 CB LEU A 34 -4.948 4.607 1.086 1.00 0.00 C ATOM 498 CG LEU A 34 -5.196 3.467 2.073 1.00 0.00 C ATOM 499 CD1 LEU A 34 -4.464 2.210 1.634 1.00 0.00 C ATOM 500 CD2 LEU A 34 -4.768 3.873 3.476 1.00 0.00 C ATOM 0 H LEU A 34 -5.108 6.807 -0.434 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.616 5.709 1.869 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.249 4.273 0.093 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.876 4.799 1.046 1.00 0.00 H new ATOM 0 HG LEU A 34 -6.265 3.253 2.088 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.653 1.410 2.350 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.819 1.907 0.649 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.393 2.410 1.588 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.952 3.049 4.165 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.705 4.116 3.476 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -5.340 4.745 3.793 1.00 0.00 H new ATOM 512 N SER A 35 -5.260 6.860 3.588 1.00 0.00 N ATOM 513 CA SER A 35 -4.547 7.636 4.596 1.00 0.00 C ATOM 514 C SER A 35 -3.632 6.740 5.425 1.00 0.00 C ATOM 515 O SER A 35 -4.033 5.666 5.870 1.00 0.00 O ATOM 516 CB SER A 35 -5.539 8.357 5.511 1.00 0.00 C ATOM 517 OG SER A 35 -6.452 7.444 6.095 1.00 0.00 O ATOM 0 H SER A 35 -6.108 6.406 3.928 1.00 0.00 H new ATOM 0 HA SER A 35 -3.933 8.376 4.082 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.997 8.886 6.295 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.086 9.107 4.940 1.00 0.00 H new ATOM 0 HG SER A 35 -7.074 7.930 6.676 1.00 0.00 H new ATOM 523 N PHE A 36 -2.398 7.193 5.627 1.00 0.00 N ATOM 524 CA PHE A 36 -1.424 6.433 6.401 1.00 0.00 C ATOM 525 C PHE A 36 -0.368 7.355 7.003 1.00 0.00 C ATOM 526 O PHE A 36 -0.291 8.535 6.658 1.00 0.00 O ATOM 527 CB PHE A 36 -0.750 5.378 5.520 1.00 0.00 C ATOM 528 CG PHE A 36 -0.250 5.921 4.212 1.00 0.00 C ATOM 529 CD1 PHE A 36 1.023 6.461 4.113 1.00 0.00 C ATOM 530 CD2 PHE A 36 -1.051 5.890 3.082 1.00 0.00 C ATOM 531 CE1 PHE A 36 1.485 6.961 2.911 1.00 0.00 C ATOM 532 CE2 PHE A 36 -0.593 6.389 1.877 1.00 0.00 C ATOM 533 CZ PHE A 36 0.678 6.925 1.792 1.00 0.00 C ATOM 0 H PHE A 36 -2.050 8.081 5.266 1.00 0.00 H new ATOM 0 HA PHE A 36 -1.954 5.935 7.213 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.086 4.940 6.066 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.459 4.574 5.323 1.00 0.00 H new ATOM 0 HD1 PHE A 36 1.660 6.491 4.985 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.045 5.471 3.143 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.478 7.380 2.847 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.227 6.360 1.003 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.039 7.315 0.852 1.00 0.00 H new ATOM 543 N GLN A 37 0.440 6.810 7.907 1.00 0.00 N ATOM 544 CA GLN A 37 1.490 7.585 8.558 1.00 0.00 C ATOM 545 C GLN A 37 2.844 6.900 8.409 1.00 0.00 C ATOM 546 O GLN A 37 2.918 5.706 8.124 1.00 0.00 O ATOM 547 CB GLN A 37 1.163 7.781 10.040 1.00 0.00 C ATOM 548 CG GLN A 37 1.190 6.492 10.844 1.00 0.00 C ATOM 549 CD GLN A 37 1.326 6.735 12.334 1.00 0.00 C ATOM 550 OE1 GLN A 37 0.355 7.073 13.011 1.00 0.00 O ATOM 551 NE2 GLN A 37 2.536 6.566 12.853 1.00 0.00 N ATOM 0 H GLN A 37 0.388 5.836 8.205 1.00 0.00 H new ATOM 0 HA GLN A 37 1.542 8.560 8.073 1.00 0.00 H new ATOM 0 HB2 GLN A 37 1.876 8.483 10.471 1.00 0.00 H new ATOM 0 HB3 GLN A 37 0.176 8.234 10.129 1.00 0.00 H new ATOM 0 HG2 GLN A 37 0.275 5.931 10.654 1.00 0.00 H new ATOM 0 HG3 GLN A 37 2.020 5.873 10.504 1.00 0.00 H new ATOM 0 HE21 GLN A 37 3.313 6.285 12.255 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.689 6.717 13.850 1.00 0.00 H new ATOM 560 N GLU A 38 3.913 7.665 8.606 1.00 0.00 N ATOM 561 CA GLU A 38 5.265 7.131 8.492 1.00 0.00 C ATOM 562 C GLU A 38 5.418 5.856 9.317 1.00 0.00 C ATOM 563 O GLU A 38 5.451 5.900 10.546 1.00 0.00 O ATOM 564 CB GLU A 38 6.289 8.173 8.948 1.00 0.00 C ATOM 565 CG GLU A 38 7.723 7.670 8.919 1.00 0.00 C ATOM 566 CD GLU A 38 8.642 8.474 9.820 1.00 0.00 C ATOM 567 OE1 GLU A 38 8.776 9.695 9.591 1.00 0.00 O ATOM 568 OE2 GLU A 38 9.227 7.883 10.751 1.00 0.00 O ATOM 0 H GLU A 38 3.869 8.656 8.845 1.00 0.00 H new ATOM 0 HA GLU A 38 5.445 6.889 7.445 1.00 0.00 H new ATOM 0 HB2 GLU A 38 6.208 9.053 8.310 1.00 0.00 H new ATOM 0 HB3 GLU A 38 6.045 8.491 9.962 1.00 0.00 H new ATOM 0 HG2 GLU A 38 7.744 6.624 9.226 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.097 7.710 7.896 1.00 0.00 H new ATOM 575 N GLY A 39 5.509 4.722 8.631 1.00 0.00 N ATOM 576 CA GLY A 39 5.656 3.450 9.314 1.00 0.00 C ATOM 577 C GLY A 39 4.419 2.582 9.195 1.00 0.00 C ATOM 578 O GLY A 39 4.093 1.824 10.109 1.00 0.00 O ATOM 0 H GLY A 39 5.484 4.661 7.613 1.00 0.00 H new ATOM 0 HA2 GLY A 39 6.512 2.916 8.901 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.870 3.629 10.368 1.00 0.00 H new ATOM 582 N ALA A 40 3.728 2.691 8.066 1.00 0.00 N ATOM 583 CA ALA A 40 2.520 1.909 7.829 1.00 0.00 C ATOM 584 C ALA A 40 2.763 0.827 6.782 1.00 0.00 C ATOM 585 O ALA A 40 3.531 1.025 5.839 1.00 0.00 O ATOM 586 CB ALA A 40 1.379 2.818 7.398 1.00 0.00 C ATOM 0 H ALA A 40 3.984 3.314 7.300 1.00 0.00 H new ATOM 0 HA ALA A 40 2.245 1.418 8.763 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.484 2.221 7.225 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.181 3.550 8.181 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.654 3.336 6.479 1.00 0.00 H new ATOM 592 N ILE A 41 2.105 -0.313 6.953 1.00 0.00 N ATOM 593 CA ILE A 41 2.249 -1.426 6.022 1.00 0.00 C ATOM 594 C ILE A 41 1.052 -1.514 5.081 1.00 0.00 C ATOM 595 O ILE A 41 -0.096 -1.563 5.525 1.00 0.00 O ATOM 596 CB ILE A 41 2.405 -2.766 6.764 1.00 0.00 C ATOM 597 CG1 ILE A 41 3.582 -2.700 7.740 1.00 0.00 C ATOM 598 CG2 ILE A 41 2.596 -3.903 5.771 1.00 0.00 C ATOM 599 CD1 ILE A 41 4.932 -2.673 7.057 1.00 0.00 C ATOM 0 H ILE A 41 1.466 -0.491 7.728 1.00 0.00 H new ATOM 0 HA ILE A 41 3.152 -1.236 5.441 1.00 0.00 H new ATOM 0 HB ILE A 41 1.495 -2.957 7.334 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.480 -1.810 8.360 1.00 0.00 H new ATOM 0 HG13 ILE A 41 3.539 -3.560 8.408 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.705 -4.843 6.311 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.729 -3.961 5.113 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.491 -3.720 5.177 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.719 -2.626 7.809 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.055 -3.576 6.459 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.995 -1.798 6.411 1.00 0.00 H new ATOM 611 N ILE A 42 1.327 -1.536 3.782 1.00 0.00 N ATOM 612 CA ILE A 42 0.272 -1.622 2.779 1.00 0.00 C ATOM 613 C ILE A 42 0.619 -2.646 1.703 1.00 0.00 C ATOM 614 O ILE A 42 1.774 -2.766 1.295 1.00 0.00 O ATOM 615 CB ILE A 42 0.019 -0.257 2.112 1.00 0.00 C ATOM 616 CG1 ILE A 42 -0.155 0.831 3.174 1.00 0.00 C ATOM 617 CG2 ILE A 42 -1.207 -0.328 1.212 1.00 0.00 C ATOM 618 CD1 ILE A 42 0.074 2.230 2.647 1.00 0.00 C ATOM 0 H ILE A 42 2.271 -1.495 3.399 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.633 -1.937 3.298 1.00 0.00 H new ATOM 0 HB ILE A 42 0.883 -0.003 1.498 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.162 0.767 3.587 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.538 0.642 3.994 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.374 0.644 0.747 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.047 -1.078 0.437 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.079 -0.601 1.806 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.066 2.950 3.453 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.090 2.311 2.260 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.637 2.438 1.847 1.00 0.00 H new ATOM 630 N TYR A 43 -0.390 -3.379 1.247 1.00 0.00 N ATOM 631 CA TYR A 43 -0.192 -4.394 0.218 1.00 0.00 C ATOM 632 C TYR A 43 -0.702 -3.905 -1.134 1.00 0.00 C ATOM 633 O TYR A 43 -1.865 -3.524 -1.272 1.00 0.00 O ATOM 634 CB TYR A 43 -0.905 -5.690 0.607 1.00 0.00 C ATOM 635 CG TYR A 43 -0.412 -6.287 1.906 1.00 0.00 C ATOM 636 CD1 TYR A 43 0.791 -6.982 1.959 1.00 0.00 C ATOM 637 CD2 TYR A 43 -1.146 -6.158 3.077 1.00 0.00 C ATOM 638 CE1 TYR A 43 1.246 -7.531 3.143 1.00 0.00 C ATOM 639 CE2 TYR A 43 -0.698 -6.701 4.264 1.00 0.00 C ATOM 640 CZ TYR A 43 0.498 -7.387 4.293 1.00 0.00 C ATOM 641 OH TYR A 43 0.948 -7.931 5.474 1.00 0.00 O ATOM 0 H TYR A 43 -1.352 -3.290 1.573 1.00 0.00 H new ATOM 0 HA TYR A 43 0.877 -4.587 0.134 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.974 -5.496 0.689 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -0.774 -6.420 -0.191 1.00 0.00 H new ATOM 0 HD1 TYR A 43 1.379 -7.095 1.060 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -2.084 -5.623 3.059 1.00 0.00 H new ATOM 0 HE1 TYR A 43 2.182 -8.070 3.168 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -1.281 -6.589 5.166 1.00 0.00 H new ATOM 0 HH TYR A 43 0.305 -7.739 6.188 1.00 0.00 H new ATOM 651 N VAL A 44 0.176 -3.919 -2.131 1.00 0.00 N ATOM 652 CA VAL A 44 -0.183 -3.478 -3.474 1.00 0.00 C ATOM 653 C VAL A 44 -0.988 -4.548 -4.205 1.00 0.00 C ATOM 654 O VAL A 44 -0.494 -5.649 -4.452 1.00 0.00 O ATOM 655 CB VAL A 44 1.067 -3.134 -4.305 1.00 0.00 C ATOM 656 CG1 VAL A 44 0.688 -2.865 -5.753 1.00 0.00 C ATOM 657 CG2 VAL A 44 1.792 -1.939 -3.704 1.00 0.00 C ATOM 0 H VAL A 44 1.142 -4.231 -2.034 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.792 -2.581 -3.361 1.00 0.00 H new ATOM 0 HB VAL A 44 1.743 -3.989 -4.285 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.584 -2.624 -6.325 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.215 -3.751 -6.176 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.007 -2.027 -5.797 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.673 -1.709 -4.303 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.125 -1.077 -3.693 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.098 -2.174 -2.685 1.00 0.00 H new ATOM 667 N ILE A 45 -2.227 -4.216 -4.550 1.00 0.00 N ATOM 668 CA ILE A 45 -3.098 -5.148 -5.254 1.00 0.00 C ATOM 669 C ILE A 45 -3.469 -4.616 -6.635 1.00 0.00 C ATOM 670 O ILE A 45 -4.007 -5.344 -7.469 1.00 0.00 O ATOM 671 CB ILE A 45 -4.389 -5.422 -4.460 1.00 0.00 C ATOM 672 CG1 ILE A 45 -5.092 -4.107 -4.116 1.00 0.00 C ATOM 673 CG2 ILE A 45 -4.075 -6.208 -3.195 1.00 0.00 C ATOM 674 CD1 ILE A 45 -6.391 -4.296 -3.364 1.00 0.00 C ATOM 0 H ILE A 45 -2.650 -3.309 -4.354 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.542 -6.079 -5.362 1.00 0.00 H new ATOM 0 HB ILE A 45 -5.059 -6.019 -5.079 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.421 -3.491 -3.517 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -5.291 -3.559 -5.037 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.997 -6.394 -2.644 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.614 -7.159 -3.462 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.389 -5.635 -2.571 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.834 -3.323 -3.153 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -7.080 -4.885 -3.970 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.196 -4.816 -2.426 1.00 0.00 H new ATOM 686 N LYS A 46 -3.176 -3.341 -6.871 1.00 0.00 N ATOM 687 CA LYS A 46 -3.474 -2.712 -8.151 1.00 0.00 C ATOM 688 C LYS A 46 -2.529 -1.544 -8.417 1.00 0.00 C ATOM 689 O LYS A 46 -2.038 -0.905 -7.486 1.00 0.00 O ATOM 690 CB LYS A 46 -4.923 -2.223 -8.176 1.00 0.00 C ATOM 691 CG LYS A 46 -5.544 -2.230 -9.562 1.00 0.00 C ATOM 692 CD LYS A 46 -7.058 -2.339 -9.495 1.00 0.00 C ATOM 693 CE LYS A 46 -7.705 -1.954 -10.817 1.00 0.00 C ATOM 694 NZ LYS A 46 -7.650 -0.484 -11.054 1.00 0.00 N ATOM 0 H LYS A 46 -2.732 -2.723 -6.191 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.333 -3.457 -8.935 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -5.521 -2.851 -7.516 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -4.963 -1.210 -7.774 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -5.267 -1.318 -10.090 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -5.143 -3.065 -10.137 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -7.339 -3.360 -9.235 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -7.435 -1.693 -8.702 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -7.201 -2.473 -11.633 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -8.744 -2.284 -10.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -8.296 -0.233 -11.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -7.936 0.018 -10.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -6.680 -0.210 -11.309 1.00 0.00 H new ATOM 708 N LYS A 47 -2.276 -1.272 -9.693 1.00 0.00 N ATOM 709 CA LYS A 47 -1.392 -0.180 -10.083 1.00 0.00 C ATOM 710 C LYS A 47 -2.009 0.645 -11.206 1.00 0.00 C ATOM 711 O LYS A 47 -2.146 0.174 -12.334 1.00 0.00 O ATOM 712 CB LYS A 47 -0.034 -0.732 -10.527 1.00 0.00 C ATOM 713 CG LYS A 47 0.665 -1.557 -9.462 1.00 0.00 C ATOM 714 CD LYS A 47 1.864 -2.298 -10.030 1.00 0.00 C ATOM 715 CE LYS A 47 2.746 -2.859 -8.925 1.00 0.00 C ATOM 716 NZ LYS A 47 3.684 -3.898 -9.436 1.00 0.00 N ATOM 0 H LYS A 47 -2.671 -1.794 -10.475 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.250 0.467 -9.218 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.174 -1.346 -11.416 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.611 0.099 -10.812 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.989 -0.906 -8.650 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.038 -2.273 -9.035 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.521 -3.110 -10.671 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.448 -1.623 -10.656 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.315 -2.049 -8.468 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.119 -3.288 -8.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.267 -4.255 -8.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.141 -4.683 -9.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.300 -3.482 -10.164 1.00 0.00 H new ATOM 730 N ASN A 48 -2.380 1.883 -10.889 1.00 0.00 N ATOM 731 CA ASN A 48 -2.982 2.775 -11.874 1.00 0.00 C ATOM 732 C ASN A 48 -1.928 3.311 -12.838 1.00 0.00 C ATOM 733 O ASN A 48 -0.729 3.217 -12.579 1.00 0.00 O ATOM 734 CB ASN A 48 -3.687 3.939 -11.173 1.00 0.00 C ATOM 735 CG ASN A 48 -5.051 3.550 -10.637 1.00 0.00 C ATOM 736 OD1 ASN A 48 -5.114 2.419 -9.943 1.00 0.00 O flip ATOM 737 ND2 ASN A 48 -6.037 4.258 -10.845 1.00 0.00 N flip ATOM 0 H ASN A 48 -2.274 2.290 -9.960 1.00 0.00 H new ATOM 0 HA ASN A 48 -3.715 2.205 -12.445 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -3.065 4.295 -10.352 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -3.797 4.768 -11.872 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -5.942 5.119 -11.384 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -6.948 3.983 -10.479 1.00 0.00 H new ATOM 744 N ASP A 49 -2.386 3.874 -13.952 1.00 0.00 N ATOM 745 CA ASP A 49 -1.484 4.426 -14.956 1.00 0.00 C ATOM 746 C ASP A 49 -0.328 5.171 -14.296 1.00 0.00 C ATOM 747 O ASP A 49 0.833 4.988 -14.666 1.00 0.00 O ATOM 748 CB ASP A 49 -2.244 5.366 -15.893 1.00 0.00 C ATOM 749 CG ASP A 49 -3.178 6.298 -15.145 1.00 0.00 C ATOM 750 OD1 ASP A 49 -4.100 5.796 -14.469 1.00 0.00 O ATOM 751 OD2 ASP A 49 -2.986 7.528 -15.238 1.00 0.00 O ATOM 0 H ASP A 49 -3.376 3.960 -14.182 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.076 3.599 -15.537 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.531 5.956 -16.468 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.819 4.776 -16.607 1.00 0.00 H new ATOM 756 N ASP A 50 -0.652 6.009 -13.319 1.00 0.00 N ATOM 757 CA ASP A 50 0.359 6.783 -12.607 1.00 0.00 C ATOM 758 C ASP A 50 0.973 5.962 -11.475 1.00 0.00 C ATOM 759 O ASP A 50 0.608 4.808 -11.264 1.00 0.00 O ATOM 760 CB ASP A 50 -0.251 8.069 -12.049 1.00 0.00 C ATOM 761 CG ASP A 50 -0.475 9.117 -13.121 1.00 0.00 C ATOM 762 OD1 ASP A 50 -0.679 8.732 -14.292 1.00 0.00 O ATOM 763 OD2 ASP A 50 -0.447 10.321 -12.792 1.00 0.00 O ATOM 0 H ASP A 50 -1.608 6.171 -13.001 1.00 0.00 H new ATOM 0 HA ASP A 50 1.148 7.042 -13.313 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.201 7.838 -11.567 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.406 8.475 -11.280 1.00 0.00 H new ATOM 768 N GLY A 51 1.909 6.571 -10.752 1.00 0.00 N ATOM 769 CA GLY A 51 2.559 5.882 -9.653 1.00 0.00 C ATOM 770 C GLY A 51 1.582 5.463 -8.573 1.00 0.00 C ATOM 771 O GLY A 51 1.947 4.746 -7.640 1.00 0.00 O ATOM 0 H GLY A 51 2.228 7.527 -10.908 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.074 5.000 -10.035 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.319 6.532 -9.219 1.00 0.00 H new ATOM 775 N TRP A 52 0.338 5.909 -8.697 1.00 0.00 N ATOM 776 CA TRP A 52 -0.694 5.576 -7.722 1.00 0.00 C ATOM 777 C TRP A 52 -1.073 4.102 -7.812 1.00 0.00 C ATOM 778 O TRP A 52 -1.380 3.594 -8.890 1.00 0.00 O ATOM 779 CB TRP A 52 -1.932 6.448 -7.942 1.00 0.00 C ATOM 780 CG TRP A 52 -1.692 7.900 -7.668 1.00 0.00 C ATOM 781 CD1 TRP A 52 -0.968 8.770 -8.433 1.00 0.00 C ATOM 782 CD2 TRP A 52 -2.174 8.653 -6.551 1.00 0.00 C ATOM 783 NE1 TRP A 52 -0.971 10.018 -7.858 1.00 0.00 N ATOM 784 CE2 TRP A 52 -1.706 9.973 -6.703 1.00 0.00 C ATOM 785 CE3 TRP A 52 -2.959 8.342 -5.437 1.00 0.00 C ATOM 786 CZ2 TRP A 52 -1.995 10.977 -5.783 1.00 0.00 C ATOM 787 CZ3 TRP A 52 -3.246 9.339 -4.524 1.00 0.00 C ATOM 788 CH2 TRP A 52 -2.765 10.644 -4.701 1.00 0.00 C ATOM 0 H TRP A 52 0.019 6.502 -9.463 1.00 0.00 H new ATOM 0 HA TRP A 52 -0.294 5.769 -6.726 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -2.271 6.331 -8.971 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -2.737 6.093 -7.299 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -0.467 8.514 -9.355 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -0.502 10.844 -8.231 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -3.335 7.340 -5.292 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -1.625 11.983 -5.918 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -3.851 9.109 -3.659 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -3.007 11.401 -3.970 1.00 0.00 H new ATOM 799 N TYR A 53 -1.047 3.419 -6.672 1.00 0.00 N ATOM 800 CA TYR A 53 -1.387 2.001 -6.623 1.00 0.00 C ATOM 801 C TYR A 53 -2.467 1.735 -5.580 1.00 0.00 C ATOM 802 O TYR A 53 -2.548 2.425 -4.563 1.00 0.00 O ATOM 803 CB TYR A 53 -0.142 1.170 -6.308 1.00 0.00 C ATOM 804 CG TYR A 53 1.107 1.661 -7.002 1.00 0.00 C ATOM 805 CD1 TYR A 53 1.103 1.947 -8.361 1.00 0.00 C ATOM 806 CD2 TYR A 53 2.291 1.841 -6.298 1.00 0.00 C ATOM 807 CE1 TYR A 53 2.244 2.397 -9.000 1.00 0.00 C ATOM 808 CE2 TYR A 53 3.437 2.291 -6.928 1.00 0.00 C ATOM 809 CZ TYR A 53 3.407 2.567 -8.280 1.00 0.00 C ATOM 810 OH TYR A 53 4.544 3.016 -8.912 1.00 0.00 O ATOM 0 H TYR A 53 -0.794 3.824 -5.771 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.773 1.711 -7.600 1.00 0.00 H new ATOM 0 HB2 TYR A 53 0.025 1.176 -5.231 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -0.324 0.135 -6.596 1.00 0.00 H new ATOM 0 HD1 TYR A 53 0.193 1.816 -8.928 1.00 0.00 H new ATOM 0 HD2 TYR A 53 2.317 1.626 -5.240 1.00 0.00 H new ATOM 0 HE1 TYR A 53 2.224 2.614 -10.058 1.00 0.00 H new ATOM 0 HE2 TYR A 53 4.349 2.426 -6.366 1.00 0.00 H new ATOM 0 HH TYR A 53 5.275 3.082 -8.262 1.00 0.00 H new ATOM 820 N GLU A 54 -3.297 0.729 -5.840 1.00 0.00 N ATOM 821 CA GLU A 54 -4.374 0.372 -4.923 1.00 0.00 C ATOM 822 C GLU A 54 -3.906 -0.675 -3.916 1.00 0.00 C ATOM 823 O GLU A 54 -3.325 -1.695 -4.288 1.00 0.00 O ATOM 824 CB GLU A 54 -5.580 -0.157 -5.702 1.00 0.00 C ATOM 825 CG GLU A 54 -6.906 0.069 -4.996 1.00 0.00 C ATOM 826 CD GLU A 54 -8.040 -0.727 -5.613 1.00 0.00 C ATOM 827 OE1 GLU A 54 -8.061 -1.963 -5.438 1.00 0.00 O ATOM 828 OE2 GLU A 54 -8.905 -0.114 -6.272 1.00 0.00 O ATOM 0 H GLU A 54 -3.244 0.148 -6.677 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.667 1.269 -4.378 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.611 0.325 -6.679 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.449 -1.225 -5.878 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -6.805 -0.204 -3.946 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -7.153 1.130 -5.027 1.00 0.00 H new ATOM 835 N GLY A 55 -4.164 -0.414 -2.639 1.00 0.00 N ATOM 836 CA GLY A 55 -3.762 -1.343 -1.597 1.00 0.00 C ATOM 837 C GLY A 55 -4.739 -1.372 -0.440 1.00 0.00 C ATOM 838 O GLY A 55 -5.612 -0.510 -0.331 1.00 0.00 O ATOM 0 H GLY A 55 -4.643 0.423 -2.306 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -3.675 -2.344 -2.020 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -2.775 -1.066 -1.228 1.00 0.00 H new ATOM 842 N VAL A 56 -4.598 -2.371 0.427 1.00 0.00 N ATOM 843 CA VAL A 56 -5.476 -2.510 1.583 1.00 0.00 C ATOM 844 C VAL A 56 -4.737 -2.187 2.877 1.00 0.00 C ATOM 845 O VAL A 56 -3.602 -2.617 3.080 1.00 0.00 O ATOM 846 CB VAL A 56 -6.056 -3.934 1.678 1.00 0.00 C ATOM 847 CG1 VAL A 56 -6.961 -4.062 2.894 1.00 0.00 C ATOM 848 CG2 VAL A 56 -6.809 -4.288 0.404 1.00 0.00 C ATOM 0 H VAL A 56 -3.884 -3.095 0.350 1.00 0.00 H new ATOM 0 HA VAL A 56 -6.292 -1.801 1.448 1.00 0.00 H new ATOM 0 HB VAL A 56 -5.231 -4.637 1.793 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -7.361 -5.075 2.945 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -6.388 -3.853 3.797 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -7.783 -3.351 2.812 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -7.212 -5.297 0.488 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -7.626 -3.582 0.256 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -6.129 -4.239 -0.446 1.00 0.00 H new ATOM 858 N MET A 57 -5.391 -1.427 3.750 1.00 0.00 N ATOM 859 CA MET A 57 -4.796 -1.048 5.027 1.00 0.00 C ATOM 860 C MET A 57 -5.850 -1.016 6.130 1.00 0.00 C ATOM 861 O MET A 57 -6.846 -0.302 6.029 1.00 0.00 O ATOM 862 CB MET A 57 -4.120 0.320 4.913 1.00 0.00 C ATOM 863 CG MET A 57 -2.981 0.518 5.899 1.00 0.00 C ATOM 864 SD MET A 57 -2.338 2.203 5.886 1.00 0.00 S ATOM 865 CE MET A 57 -3.203 2.906 7.289 1.00 0.00 C ATOM 0 H MET A 57 -6.331 -1.062 3.597 1.00 0.00 H new ATOM 0 HA MET A 57 -4.046 -1.796 5.286 1.00 0.00 H new ATOM 0 HB2 MET A 57 -3.738 0.444 3.900 1.00 0.00 H new ATOM 0 HB3 MET A 57 -4.866 1.099 5.071 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.328 0.273 6.903 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.175 -0.176 5.662 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.696 3.816 7.611 1.00 0.00 H new ATOM 0 HE2 MET A 57 -4.228 3.144 7.003 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.213 2.187 8.108 1.00 0.00 H new ATOM 875 N ASN A 58 -5.623 -1.797 7.181 1.00 0.00 N ATOM 876 CA ASN A 58 -6.554 -1.860 8.302 1.00 0.00 C ATOM 877 C ASN A 58 -7.995 -1.938 7.808 1.00 0.00 C ATOM 878 O ASN A 58 -8.892 -1.319 8.379 1.00 0.00 O ATOM 879 CB ASN A 58 -6.378 -0.637 9.205 1.00 0.00 C ATOM 880 CG ASN A 58 -6.903 0.634 8.567 1.00 0.00 C ATOM 881 OD1 ASN A 58 -6.045 1.320 7.821 1.00 0.00 O flip ATOM 882 ND2 ASN A 58 -8.067 0.995 8.742 1.00 0.00 N flip ATOM 0 H ASN A 58 -4.803 -2.395 7.280 1.00 0.00 H new ATOM 0 HA ASN A 58 -6.336 -2.762 8.874 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -6.897 -0.808 10.148 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -5.321 -0.512 9.441 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -8.692 0.437 9.323 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -8.406 1.852 8.306 1.00 0.00 H new ATOM 889 N GLY A 59 -8.209 -2.705 6.744 1.00 0.00 N ATOM 890 CA GLY A 59 -9.543 -2.852 6.191 1.00 0.00 C ATOM 891 C GLY A 59 -9.904 -1.728 5.242 1.00 0.00 C ATOM 892 O GLY A 59 -10.667 -1.923 4.296 1.00 0.00 O ATOM 0 H GLY A 59 -7.482 -3.228 6.255 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.612 -3.804 5.665 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -10.268 -2.884 7.004 1.00 0.00 H new ATOM 896 N VAL A 60 -9.356 -0.543 5.493 1.00 0.00 N ATOM 897 CA VAL A 60 -9.626 0.618 4.655 1.00 0.00 C ATOM 898 C VAL A 60 -8.819 0.561 3.362 1.00 0.00 C ATOM 899 O VAL A 60 -7.587 0.586 3.383 1.00 0.00 O ATOM 900 CB VAL A 60 -9.299 1.931 5.392 1.00 0.00 C ATOM 901 CG1 VAL A 60 -9.321 3.105 4.425 1.00 0.00 C ATOM 902 CG2 VAL A 60 -10.274 2.154 6.537 1.00 0.00 C ATOM 0 H VAL A 60 -8.722 -0.362 6.271 1.00 0.00 H new ATOM 0 HA VAL A 60 -10.690 0.597 4.419 1.00 0.00 H new ATOM 0 HB VAL A 60 -8.295 1.854 5.809 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -9.088 4.024 4.963 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -8.580 2.945 3.642 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -10.311 3.188 3.976 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -10.029 3.086 7.047 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -11.289 2.211 6.144 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -10.204 1.325 7.241 1.00 0.00 H new ATOM 912 N THR A 61 -9.521 0.484 2.237 1.00 0.00 N ATOM 913 CA THR A 61 -8.871 0.422 0.933 1.00 0.00 C ATOM 914 C THR A 61 -8.859 1.789 0.258 1.00 0.00 C ATOM 915 O THR A 61 -9.864 2.497 0.251 1.00 0.00 O ATOM 916 CB THR A 61 -9.570 -0.590 0.005 1.00 0.00 C ATOM 917 OG1 THR A 61 -9.805 -1.817 0.705 1.00 0.00 O ATOM 918 CG2 THR A 61 -8.727 -0.859 -1.234 1.00 0.00 C ATOM 0 H THR A 61 -10.540 0.463 2.202 1.00 0.00 H new ATOM 0 HA THR A 61 -7.845 0.097 1.107 1.00 0.00 H new ATOM 0 HB THR A 61 -10.523 -0.164 -0.308 1.00 0.00 H new ATOM 0 HG1 THR A 61 -10.251 -2.454 0.108 1.00 0.00 H new ATOM 0 HG21 THR A 61 -9.240 -1.576 -1.875 1.00 0.00 H new ATOM 0 HG22 THR A 61 -8.576 0.072 -1.780 1.00 0.00 H new ATOM 0 HG23 THR A 61 -7.761 -1.266 -0.935 1.00 0.00 H new ATOM 926 N GLY A 62 -7.712 2.155 -0.308 1.00 0.00 N ATOM 927 CA GLY A 62 -7.591 3.436 -0.976 1.00 0.00 C ATOM 928 C GLY A 62 -6.364 3.513 -1.863 1.00 0.00 C ATOM 929 O GLY A 62 -5.444 2.706 -1.734 1.00 0.00 O ATOM 0 H GLY A 62 -6.865 1.586 -0.315 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -8.482 3.614 -1.578 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.546 4.229 -0.229 1.00 0.00 H new ATOM 933 N LEU A 63 -6.350 4.488 -2.766 1.00 0.00 N ATOM 934 CA LEU A 63 -5.228 4.667 -3.680 1.00 0.00 C ATOM 935 C LEU A 63 -4.178 5.595 -3.078 1.00 0.00 C ATOM 936 O LEU A 63 -4.481 6.726 -2.694 1.00 0.00 O ATOM 937 CB LEU A 63 -5.716 5.231 -5.016 1.00 0.00 C ATOM 938 CG LEU A 63 -6.288 4.214 -6.004 1.00 0.00 C ATOM 939 CD1 LEU A 63 -7.322 4.868 -6.906 1.00 0.00 C ATOM 940 CD2 LEU A 63 -5.174 3.591 -6.834 1.00 0.00 C ATOM 0 H LEU A 63 -7.103 5.166 -2.884 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.771 3.692 -3.849 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.481 5.981 -4.814 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.884 5.746 -5.496 1.00 0.00 H new ATOM 0 HG LEU A 63 -6.778 3.423 -5.437 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -7.717 4.128 -7.602 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -8.135 5.266 -6.299 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.856 5.679 -7.465 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.600 2.870 -7.532 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.655 4.371 -7.391 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.468 3.085 -6.175 1.00 0.00 H new ATOM 952 N PHE A 64 -2.942 5.113 -2.999 1.00 0.00 N ATOM 953 CA PHE A 64 -1.847 5.898 -2.445 1.00 0.00 C ATOM 954 C PHE A 64 -0.745 6.102 -3.480 1.00 0.00 C ATOM 955 O PHE A 64 -0.460 5.229 -4.300 1.00 0.00 O ATOM 956 CB PHE A 64 -1.275 5.211 -1.202 1.00 0.00 C ATOM 957 CG PHE A 64 -0.689 3.858 -1.483 1.00 0.00 C ATOM 958 CD1 PHE A 64 0.588 3.736 -2.007 1.00 0.00 C ATOM 959 CD2 PHE A 64 -1.415 2.707 -1.223 1.00 0.00 C ATOM 960 CE1 PHE A 64 1.130 2.492 -2.265 1.00 0.00 C ATOM 961 CE2 PHE A 64 -0.877 1.460 -1.479 1.00 0.00 C ATOM 962 CZ PHE A 64 0.395 1.352 -2.003 1.00 0.00 C ATOM 0 H PHE A 64 -2.674 4.180 -3.313 1.00 0.00 H new ATOM 0 HA PHE A 64 -2.241 6.874 -2.163 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -0.506 5.848 -0.766 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -2.064 5.109 -0.457 1.00 0.00 H new ATOM 0 HD1 PHE A 64 1.166 4.624 -2.216 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -2.412 2.785 -0.816 1.00 0.00 H new ATOM 0 HE1 PHE A 64 2.127 2.411 -2.671 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -1.452 0.570 -1.269 1.00 0.00 H new ATOM 0 HZ PHE A 64 0.815 0.378 -2.208 1.00 0.00 H new ATOM 972 N PRO A 65 -0.109 7.283 -3.442 1.00 0.00 N ATOM 973 CA PRO A 65 0.972 7.630 -4.370 1.00 0.00 C ATOM 974 C PRO A 65 2.242 6.827 -4.107 1.00 0.00 C ATOM 975 O PRO A 65 2.626 6.614 -2.959 1.00 0.00 O ATOM 976 CB PRO A 65 1.212 9.115 -4.094 1.00 0.00 C ATOM 977 CG PRO A 65 0.750 9.320 -2.693 1.00 0.00 C ATOM 978 CD PRO A 65 -0.397 8.370 -2.492 1.00 0.00 C ATOM 0 HA PRO A 65 0.707 7.412 -5.405 1.00 0.00 H new ATOM 0 HB2 PRO A 65 2.265 9.373 -4.205 1.00 0.00 H new ATOM 0 HB3 PRO A 65 0.655 9.742 -4.790 1.00 0.00 H new ATOM 0 HG2 PRO A 65 1.553 9.118 -1.984 1.00 0.00 H new ATOM 0 HG3 PRO A 65 0.435 10.351 -2.533 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -0.442 8.006 -1.466 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -1.355 8.846 -2.704 1.00 0.00 H new ATOM 986 N GLY A 66 2.889 6.383 -5.180 1.00 0.00 N ATOM 987 CA GLY A 66 4.109 5.610 -5.044 1.00 0.00 C ATOM 988 C GLY A 66 5.310 6.474 -4.712 1.00 0.00 C ATOM 989 O GLY A 66 6.433 5.980 -4.631 1.00 0.00 O ATOM 0 H GLY A 66 2.590 6.545 -6.142 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.976 4.862 -4.262 1.00 0.00 H new ATOM 0 HA3 GLY A 66 4.299 5.071 -5.972 1.00 0.00 H new ATOM 993 N ASN A 67 5.071 7.767 -4.521 1.00 0.00 N ATOM 994 CA ASN A 67 6.143 8.702 -4.199 1.00 0.00 C ATOM 995 C ASN A 67 6.340 8.806 -2.691 1.00 0.00 C ATOM 996 O ASN A 67 7.422 9.154 -2.217 1.00 0.00 O ATOM 997 CB ASN A 67 5.835 10.083 -4.782 1.00 0.00 C ATOM 998 CG ASN A 67 5.749 10.067 -6.296 1.00 0.00 C ATOM 999 OD1 ASN A 67 6.365 9.231 -6.954 1.00 0.00 O ATOM 1000 ND2 ASN A 67 4.981 10.996 -6.854 1.00 0.00 N ATOM 0 H ASN A 67 4.145 8.191 -4.583 1.00 0.00 H new ATOM 0 HA ASN A 67 7.065 8.325 -4.642 1.00 0.00 H new ATOM 0 HB2 ASN A 67 4.893 10.445 -4.371 1.00 0.00 H new ATOM 0 HB3 ASN A 67 6.609 10.786 -4.472 1.00 0.00 H new ATOM 0 HD21 ASN A 67 4.884 11.036 -7.869 1.00 0.00 H new ATOM 0 HD22 ASN A 67 4.488 11.670 -6.268 1.00 0.00 H new ATOM 1007 N TYR A 68 5.287 8.501 -1.940 1.00 0.00 N ATOM 1008 CA TYR A 68 5.343 8.561 -0.484 1.00 0.00 C ATOM 1009 C TYR A 68 5.590 7.178 0.109 1.00 0.00 C ATOM 1010 O TYR A 68 5.217 6.902 1.249 1.00 0.00 O ATOM 1011 CB TYR A 68 4.042 9.143 0.073 1.00 0.00 C ATOM 1012 CG TYR A 68 3.922 10.640 -0.108 1.00 0.00 C ATOM 1013 CD1 TYR A 68 3.756 11.194 -1.370 1.00 0.00 C ATOM 1014 CD2 TYR A 68 3.975 11.498 0.983 1.00 0.00 C ATOM 1015 CE1 TYR A 68 3.645 12.562 -1.540 1.00 0.00 C ATOM 1016 CE2 TYR A 68 3.864 12.864 0.823 1.00 0.00 C ATOM 1017 CZ TYR A 68 3.700 13.391 -0.441 1.00 0.00 C ATOM 1018 OH TYR A 68 3.591 14.753 -0.606 1.00 0.00 O ATOM 0 H TYR A 68 4.385 8.210 -2.316 1.00 0.00 H new ATOM 0 HA TYR A 68 6.173 9.210 -0.204 1.00 0.00 H new ATOM 0 HB2 TYR A 68 3.198 8.657 -0.416 1.00 0.00 H new ATOM 0 HB3 TYR A 68 3.974 8.907 1.135 1.00 0.00 H new ATOM 0 HD1 TYR A 68 3.713 10.546 -2.233 1.00 0.00 H new ATOM 0 HD2 TYR A 68 4.105 11.089 1.974 1.00 0.00 H new ATOM 0 HE1 TYR A 68 3.516 12.978 -2.528 1.00 0.00 H new ATOM 0 HE2 TYR A 68 3.905 13.517 1.682 1.00 0.00 H new ATOM 0 HH TYR A 68 3.648 15.194 0.267 1.00 0.00 H new ATOM 1028 N VAL A 69 6.223 6.310 -0.673 1.00 0.00 N ATOM 1029 CA VAL A 69 6.522 4.954 -0.227 1.00 0.00 C ATOM 1030 C VAL A 69 7.864 4.480 -0.774 1.00 0.00 C ATOM 1031 O VAL A 69 8.545 5.208 -1.495 1.00 0.00 O ATOM 1032 CB VAL A 69 5.424 3.965 -0.661 1.00 0.00 C ATOM 1033 CG1 VAL A 69 4.149 4.202 0.133 1.00 0.00 C ATOM 1034 CG2 VAL A 69 5.163 4.081 -2.155 1.00 0.00 C ATOM 0 H VAL A 69 6.539 6.522 -1.619 1.00 0.00 H new ATOM 0 HA VAL A 69 6.565 4.981 0.862 1.00 0.00 H new ATOM 0 HB VAL A 69 5.768 2.952 -0.454 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.384 3.494 -0.187 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.351 4.063 1.195 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.797 5.219 -0.039 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.384 3.375 -2.444 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.839 5.095 -2.390 1.00 0.00 H new ATOM 0 HG23 VAL A 69 6.078 3.856 -2.703 1.00 0.00 H new ATOM 1044 N GLU A 70 8.237 3.251 -0.427 1.00 0.00 N ATOM 1045 CA GLU A 70 9.498 2.680 -0.883 1.00 0.00 C ATOM 1046 C GLU A 70 9.398 1.161 -0.999 1.00 0.00 C ATOM 1047 O GLU A 70 9.022 0.479 -0.046 1.00 0.00 O ATOM 1048 CB GLU A 70 10.630 3.054 0.075 1.00 0.00 C ATOM 1049 CG GLU A 70 11.337 4.348 -0.293 1.00 0.00 C ATOM 1050 CD GLU A 70 12.516 4.127 -1.219 1.00 0.00 C ATOM 1051 OE1 GLU A 70 12.286 3.856 -2.417 1.00 0.00 O ATOM 1052 OE2 GLU A 70 13.669 4.222 -0.748 1.00 0.00 O ATOM 0 H GLU A 70 7.684 2.633 0.167 1.00 0.00 H new ATOM 0 HA GLU A 70 9.716 3.090 -1.869 1.00 0.00 H new ATOM 0 HB2 GLU A 70 10.226 3.145 1.083 1.00 0.00 H new ATOM 0 HB3 GLU A 70 11.360 2.244 0.095 1.00 0.00 H new ATOM 0 HG2 GLU A 70 10.626 5.022 -0.771 1.00 0.00 H new ATOM 0 HG3 GLU A 70 11.682 4.840 0.616 1.00 0.00 H new ATOM 1059 N SER A 71 9.734 0.641 -2.174 1.00 0.00 N ATOM 1060 CA SER A 71 9.677 -0.797 -2.418 1.00 0.00 C ATOM 1061 C SER A 71 10.674 -1.538 -1.532 1.00 0.00 C ATOM 1062 O SER A 71 11.777 -1.870 -1.966 1.00 0.00 O ATOM 1063 CB SER A 71 9.963 -1.097 -3.890 1.00 0.00 C ATOM 1064 OG SER A 71 11.171 -0.483 -4.311 1.00 0.00 O ATOM 0 H SER A 71 10.049 1.192 -2.972 1.00 0.00 H new ATOM 0 HA SER A 71 8.673 -1.143 -2.173 1.00 0.00 H new ATOM 0 HB2 SER A 71 10.028 -2.175 -4.039 1.00 0.00 H new ATOM 0 HB3 SER A 71 9.137 -0.740 -4.504 1.00 0.00 H new ATOM 0 HG SER A 71 11.894 -0.728 -3.696 1.00 0.00 H new ATOM 1070 N ILE A 72 10.275 -1.793 -0.291 1.00 0.00 N ATOM 1071 CA ILE A 72 11.132 -2.496 0.657 1.00 0.00 C ATOM 1072 C ILE A 72 11.660 -3.796 0.061 1.00 0.00 C ATOM 1073 O ILE A 72 12.773 -4.225 0.366 1.00 0.00 O ATOM 1074 CB ILE A 72 10.386 -2.809 1.965 1.00 0.00 C ATOM 1075 CG1 ILE A 72 9.240 -3.790 1.702 1.00 0.00 C ATOM 1076 CG2 ILE A 72 9.858 -1.529 2.596 1.00 0.00 C ATOM 1077 CD1 ILE A 72 8.104 -3.192 0.904 1.00 0.00 C ATOM 0 H ILE A 72 9.365 -1.524 0.082 1.00 0.00 H new ATOM 0 HA ILE A 72 11.969 -1.834 0.877 1.00 0.00 H new ATOM 0 HB ILE A 72 11.085 -3.272 2.661 1.00 0.00 H new ATOM 0 HG12 ILE A 72 9.630 -4.657 1.169 1.00 0.00 H new ATOM 0 HG13 ILE A 72 8.854 -4.149 2.656 1.00 0.00 H new ATOM 0 HG21 ILE A 72 9.333 -1.769 3.521 1.00 0.00 H new ATOM 0 HG22 ILE A 72 10.691 -0.861 2.815 1.00 0.00 H new ATOM 0 HG23 ILE A 72 9.171 -1.039 1.905 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.328 -3.943 0.756 1.00 0.00 H new ATOM 0 HD12 ILE A 72 7.687 -2.342 1.445 1.00 0.00 H new ATOM 0 HD13 ILE A 72 8.476 -2.859 -0.065 1.00 0.00 H new ATOM 1089 N SER A 73 10.855 -4.419 -0.794 1.00 0.00 N ATOM 1090 CA SER A 73 11.240 -5.672 -1.432 1.00 0.00 C ATOM 1091 C SER A 73 11.570 -5.452 -2.906 1.00 0.00 C ATOM 1092 O SER A 73 11.056 -4.530 -3.538 1.00 0.00 O ATOM 1093 CB SER A 73 10.117 -6.702 -1.299 1.00 0.00 C ATOM 1094 OG SER A 73 9.790 -6.927 0.061 1.00 0.00 O ATOM 0 H SER A 73 9.932 -4.076 -1.061 1.00 0.00 H new ATOM 0 HA SER A 73 12.131 -6.048 -0.929 1.00 0.00 H new ATOM 0 HB2 SER A 73 9.234 -6.354 -1.836 1.00 0.00 H new ATOM 0 HB3 SER A 73 10.423 -7.640 -1.763 1.00 0.00 H new ATOM 0 HG SER A 73 9.069 -7.588 0.119 1.00 0.00 H new ATOM 1100 N GLY A 74 12.434 -6.306 -3.447 1.00 0.00 N ATOM 1101 CA GLY A 74 12.819 -6.190 -4.840 1.00 0.00 C ATOM 1102 C GLY A 74 14.221 -5.638 -5.009 1.00 0.00 C ATOM 1103 O GLY A 74 14.999 -5.560 -4.059 1.00 0.00 O ATOM 0 H GLY A 74 12.874 -7.077 -2.944 1.00 0.00 H new ATOM 0 HA2 GLY A 74 12.758 -7.170 -5.314 1.00 0.00 H new ATOM 0 HA3 GLY A 74 12.112 -5.541 -5.357 1.00 0.00 H new ATOM 1107 N PRO A 75 14.561 -5.245 -6.247 1.00 0.00 N ATOM 1108 CA PRO A 75 15.880 -4.692 -6.567 1.00 0.00 C ATOM 1109 C PRO A 75 16.091 -3.309 -5.962 1.00 0.00 C ATOM 1110 O PRO A 75 15.859 -2.293 -6.618 1.00 0.00 O ATOM 1111 CB PRO A 75 15.871 -4.612 -8.094 1.00 0.00 C ATOM 1112 CG PRO A 75 14.429 -4.510 -8.459 1.00 0.00 C ATOM 1113 CD PRO A 75 13.683 -5.310 -7.427 1.00 0.00 C ATOM 0 HA PRO A 75 16.687 -5.304 -6.164 1.00 0.00 H new ATOM 0 HB2 PRO A 75 16.431 -3.747 -8.449 1.00 0.00 H new ATOM 0 HB3 PRO A 75 16.331 -5.494 -8.540 1.00 0.00 H new ATOM 0 HG2 PRO A 75 14.099 -3.471 -8.461 1.00 0.00 H new ATOM 0 HG3 PRO A 75 14.251 -4.902 -9.460 1.00 0.00 H new ATOM 0 HD2 PRO A 75 12.701 -4.885 -7.221 1.00 0.00 H new ATOM 0 HD3 PRO A 75 13.523 -6.338 -7.753 1.00 0.00 H new ATOM 1121 N SER A 76 16.532 -3.275 -4.708 1.00 0.00 N ATOM 1122 CA SER A 76 16.771 -2.015 -4.016 1.00 0.00 C ATOM 1123 C SER A 76 18.250 -1.852 -3.679 1.00 0.00 C ATOM 1124 O SER A 76 18.966 -2.835 -3.489 1.00 0.00 O ATOM 1125 CB SER A 76 15.934 -1.945 -2.736 1.00 0.00 C ATOM 1126 OG SER A 76 16.530 -2.700 -1.695 1.00 0.00 O ATOM 0 H SER A 76 16.731 -4.106 -4.151 1.00 0.00 H new ATOM 0 HA SER A 76 16.476 -1.203 -4.680 1.00 0.00 H new ATOM 0 HB2 SER A 76 15.830 -0.906 -2.422 1.00 0.00 H new ATOM 0 HB3 SER A 76 14.930 -2.321 -2.933 1.00 0.00 H new ATOM 0 HG SER A 76 15.977 -2.638 -0.888 1.00 0.00 H new ATOM 1132 N SER A 77 18.700 -0.604 -3.606 1.00 0.00 N ATOM 1133 CA SER A 77 20.094 -0.311 -3.294 1.00 0.00 C ATOM 1134 C SER A 77 20.226 1.049 -2.615 1.00 0.00 C ATOM 1135 O SER A 77 19.588 2.021 -3.018 1.00 0.00 O ATOM 1136 CB SER A 77 20.940 -0.341 -4.569 1.00 0.00 C ATOM 1137 OG SER A 77 20.430 0.557 -5.541 1.00 0.00 O ATOM 0 H SER A 77 18.120 0.221 -3.759 1.00 0.00 H new ATOM 0 HA SER A 77 20.455 -1.076 -2.607 1.00 0.00 H new ATOM 0 HB2 SER A 77 21.971 -0.078 -4.332 1.00 0.00 H new ATOM 0 HB3 SER A 77 20.955 -1.352 -4.976 1.00 0.00 H new ATOM 0 HG SER A 77 20.989 0.520 -6.345 1.00 0.00 H new ATOM 1143 N GLY A 78 21.058 1.110 -1.581 1.00 0.00 N ATOM 1144 CA GLY A 78 21.259 2.354 -0.861 1.00 0.00 C ATOM 1145 C GLY A 78 22.644 2.455 -0.254 1.00 0.00 C ATOM 1146 O GLY A 78 23.175 1.474 0.266 1.00 0.00 O ATOM 0 H GLY A 78 21.597 0.319 -1.228 1.00 0.00 H new ATOM 0 HA2 GLY A 78 21.101 3.192 -1.539 1.00 0.00 H new ATOM 0 HA3 GLY A 78 20.512 2.438 -0.071 1.00 0.00 H new TER 1150 GLY A 78