USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 652 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 2 CYS SG : rot 180:sc= -0.713 USER MOD Set 1.2: A 4 HIS : no HD1:sc= 0 X(o=-0.71,f=-0.77) USER MOD Single : A 1 LEU N :NH3+ 174:sc= -0.378 (180deg=-0.439) USER MOD Single : A 7 SER OG : rot 129:sc= 0.518 USER MOD Single : A 13 MET CE :methyl -161:sc= -0.729 (180deg=-1.59) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc=-0.00429 X(o=-0.0043,f=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 149:sc= 0.326 (180deg=0.0444) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -0.354 K(o=-0.35,f=-1.1) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 150:sc= 0 (180deg=-0.637) USER MOD Single : A 34 THR OG1 : rot 47:sc= 0.861 USER MOD Single : A 35 LYS NZ :NH3+ -162:sc= -0.0133 (180deg=-0.15) USER MOD Single : A 39 GLN : amide:sc=-0.00645 X(o=-0.0065,f=-0.5) USER MOD Single : A 41 GLN : amide:sc= 0.00819 X(o=0.0082,f=0.21) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000854) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -51:sc= 0.0698 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0 K(o=0,f=-1) USER MOD Single : A 70 THR OG1 : rot 52:sc= 0.879 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 2.304 44.541 0.287 1.00 0.00 N ATOM 2 CA LEU A 1 3.175 44.598 -0.918 1.00 0.00 C ATOM 3 C LEU A 1 2.786 43.485 -1.894 1.00 0.00 C ATOM 4 O LEU A 1 1.742 42.878 -1.708 1.00 0.00 O ATOM 5 CB LEU A 1 4.688 44.572 -0.561 1.00 0.00 C ATOM 6 CG LEU A 1 5.087 45.295 0.734 1.00 0.00 C ATOM 7 CD1 LEU A 1 6.603 45.231 0.887 1.00 0.00 C ATOM 8 CD2 LEU A 1 4.632 46.750 0.727 1.00 0.00 C ATOM 0 H1 LEU A 1 2.637 45.232 0.989 1.00 0.00 H new ATOM 0 H2 LEU A 1 1.325 44.765 0.018 1.00 0.00 H new ATOM 0 H3 LEU A 1 2.340 43.586 0.697 1.00 0.00 H new ATOM 0 HA LEU A 1 3.011 45.557 -1.410 1.00 0.00 H new ATOM 0 HB2 LEU A 1 5.005 43.532 -0.485 1.00 0.00 H new ATOM 0 HB3 LEU A 1 5.244 45.016 -1.387 1.00 0.00 H new ATOM 0 HG LEU A 1 4.598 44.799 1.573 1.00 0.00 H new ATOM 0 HD11 LEU A 1 6.898 45.742 1.804 1.00 0.00 H new ATOM 0 HD12 LEU A 1 6.920 44.189 0.934 1.00 0.00 H new ATOM 0 HD13 LEU A 1 7.076 45.716 0.033 1.00 0.00 H new ATOM 0 HD21 LEU A 1 4.932 47.229 1.659 1.00 0.00 H new ATOM 0 HD22 LEU A 1 5.091 47.271 -0.113 1.00 0.00 H new ATOM 0 HD23 LEU A 1 3.547 46.791 0.630 1.00 0.00 H new ATOM 22 N CYS A 2 3.700 43.054 -2.773 1.00 0.00 N ATOM 23 CA CYS A 2 3.473 41.923 -3.663 1.00 0.00 C ATOM 24 C CYS A 2 4.812 41.211 -3.891 1.00 0.00 C ATOM 25 O CYS A 2 5.889 41.810 -3.913 1.00 0.00 O ATOM 26 CB CYS A 2 2.815 42.343 -5.005 1.00 0.00 C ATOM 27 SG CYS A 2 3.747 43.637 -5.885 1.00 0.00 S ATOM 0 H CYS A 2 4.618 43.485 -2.882 1.00 0.00 H new ATOM 0 HA CYS A 2 2.765 41.241 -3.192 1.00 0.00 H new ATOM 0 HB2 CYS A 2 2.725 41.468 -5.648 1.00 0.00 H new ATOM 0 HB3 CYS A 2 1.804 42.701 -4.811 1.00 0.00 H new ATOM 0 HG CYS A 2 3.138 43.932 -6.995 1.00 0.00 H new ATOM 33 N VAL A 3 4.711 39.896 -4.105 1.00 0.00 N ATOM 34 CA VAL A 3 5.856 38.975 -4.144 1.00 0.00 C ATOM 35 C VAL A 3 5.668 38.137 -5.405 1.00 0.00 C ATOM 36 O VAL A 3 4.562 37.718 -5.737 1.00 0.00 O ATOM 37 CB VAL A 3 5.960 38.045 -2.902 1.00 0.00 C ATOM 38 CG1 VAL A 3 6.774 38.697 -1.790 1.00 0.00 C ATOM 39 CG2 VAL A 3 4.649 37.610 -2.250 1.00 0.00 C ATOM 0 H VAL A 3 3.816 39.431 -4.259 1.00 0.00 H new ATOM 0 HA VAL A 3 6.781 39.552 -4.143 1.00 0.00 H new ATOM 0 HB VAL A 3 6.428 37.158 -3.330 1.00 0.00 H new ATOM 0 HG11 VAL A 3 6.829 38.022 -0.936 1.00 0.00 H new ATOM 0 HG12 VAL A 3 7.781 38.907 -2.151 1.00 0.00 H new ATOM 0 HG13 VAL A 3 6.295 39.628 -1.487 1.00 0.00 H new ATOM 0 HG21 VAL A 3 4.863 36.966 -1.397 1.00 0.00 H new ATOM 0 HG22 VAL A 3 4.101 38.490 -1.912 1.00 0.00 H new ATOM 0 HG23 VAL A 3 4.046 37.064 -2.975 1.00 0.00 H new ATOM 49 N HIS A 4 6.776 37.760 -6.039 1.00 0.00 N ATOM 50 CA HIS A 4 6.759 37.237 -7.403 1.00 0.00 C ATOM 51 C HIS A 4 7.485 35.901 -7.341 1.00 0.00 C ATOM 52 O HIS A 4 8.460 35.730 -6.605 1.00 0.00 O ATOM 53 CB HIS A 4 7.558 38.122 -8.413 1.00 0.00 C ATOM 54 CG HIS A 4 7.157 39.582 -8.464 1.00 0.00 C ATOM 55 ND1 HIS A 4 5.880 40.087 -8.263 1.00 0.00 N ATOM 56 CD2 HIS A 4 8.010 40.625 -8.703 1.00 0.00 C ATOM 57 CE1 HIS A 4 5.976 41.412 -8.392 1.00 0.00 C ATOM 58 NE2 HIS A 4 7.249 41.763 -8.661 1.00 0.00 N ATOM 0 H HIS A 4 7.707 37.808 -5.624 1.00 0.00 H new ATOM 0 HA HIS A 4 5.724 37.189 -7.742 1.00 0.00 H new ATOM 0 HB2 HIS A 4 8.617 38.063 -8.161 1.00 0.00 H new ATOM 0 HB3 HIS A 4 7.443 37.697 -9.410 1.00 0.00 H new ATOM 0 HD2 HIS A 4 9.072 40.563 -8.888 1.00 0.00 H new ATOM 0 HE1 HIS A 4 5.152 42.103 -8.295 1.00 0.00 H new ATOM 0 HE2 HIS A 4 7.588 42.714 -8.808 1.00 0.00 H new ATOM 66 N VAL A 5 7.087 34.982 -8.205 1.00 0.00 N ATOM 67 CA VAL A 5 7.372 33.560 -8.022 1.00 0.00 C ATOM 68 C VAL A 5 7.729 33.003 -9.400 1.00 0.00 C ATOM 69 O VAL A 5 7.031 33.211 -10.386 1.00 0.00 O ATOM 70 CB VAL A 5 6.203 32.769 -7.357 1.00 0.00 C ATOM 71 CG1 VAL A 5 6.266 32.944 -5.829 1.00 0.00 C ATOM 72 CG2 VAL A 5 4.780 33.157 -7.833 1.00 0.00 C ATOM 0 H VAL A 5 6.559 35.195 -9.051 1.00 0.00 H new ATOM 0 HA VAL A 5 8.200 33.442 -7.323 1.00 0.00 H new ATOM 0 HB VAL A 5 6.355 31.735 -7.665 1.00 0.00 H new ATOM 0 HG11 VAL A 5 5.449 32.391 -5.365 1.00 0.00 H new ATOM 0 HG12 VAL A 5 7.218 32.564 -5.458 1.00 0.00 H new ATOM 0 HG13 VAL A 5 6.176 34.001 -5.580 1.00 0.00 H new ATOM 0 HG21 VAL A 5 4.043 32.549 -7.309 1.00 0.00 H new ATOM 0 HG22 VAL A 5 4.599 34.210 -7.619 1.00 0.00 H new ATOM 0 HG23 VAL A 5 4.696 32.985 -8.906 1.00 0.00 H new ATOM 82 N ARG A 6 8.858 32.283 -9.449 1.00 0.00 N ATOM 83 CA ARG A 6 9.501 31.842 -10.709 1.00 0.00 C ATOM 84 C ARG A 6 9.032 30.400 -10.919 1.00 0.00 C ATOM 85 O ARG A 6 8.236 29.881 -10.157 1.00 0.00 O ATOM 86 CB ARG A 6 11.028 31.738 -10.557 1.00 0.00 C ATOM 87 CG ARG A 6 11.797 33.054 -10.385 1.00 0.00 C ATOM 88 CD ARG A 6 11.684 33.964 -11.629 1.00 0.00 C ATOM 89 NE ARG A 6 13.010 34.294 -12.196 1.00 0.00 N ATOM 90 CZ ARG A 6 13.252 35.239 -13.099 1.00 0.00 C ATOM 91 NH1 ARG A 6 12.292 35.979 -13.596 1.00 0.00 N ATOM 92 NH2 ARG A 6 14.468 35.426 -13.526 1.00 0.00 N ATOM 0 H ARG A 6 9.360 31.984 -8.613 1.00 0.00 H new ATOM 0 HA ARG A 6 9.253 32.542 -11.507 1.00 0.00 H new ATOM 0 HB2 ARG A 6 11.241 31.105 -9.696 1.00 0.00 H new ATOM 0 HB3 ARG A 6 11.423 31.226 -11.435 1.00 0.00 H new ATOM 0 HG2 ARG A 6 11.415 33.585 -9.513 1.00 0.00 H new ATOM 0 HG3 ARG A 6 12.847 32.836 -10.191 1.00 0.00 H new ATOM 0 HD2 ARG A 6 11.079 33.468 -12.388 1.00 0.00 H new ATOM 0 HD3 ARG A 6 11.166 34.884 -11.359 1.00 0.00 H new ATOM 0 HE ARG A 6 13.807 33.750 -11.866 1.00 0.00 H new ATOM 0 HH11 ARG A 6 11.329 35.837 -13.291 1.00 0.00 H new ATOM 0 HH12 ARG A 6 12.508 36.697 -14.288 1.00 0.00 H new ATOM 0 HH21 ARG A 6 15.229 34.849 -13.168 1.00 0.00 H new ATOM 0 HH22 ARG A 6 14.660 36.150 -14.219 1.00 0.00 H new ATOM 106 N SER A 7 9.171 29.968 -12.170 1.00 0.00 N ATOM 107 CA SER A 7 8.765 28.633 -12.628 1.00 0.00 C ATOM 108 C SER A 7 7.448 28.851 -13.376 1.00 0.00 C ATOM 109 O SER A 7 6.866 29.934 -13.298 1.00 0.00 O ATOM 110 CB SER A 7 8.859 27.429 -11.676 1.00 0.00 C ATOM 111 OG SER A 7 10.150 27.330 -11.095 1.00 0.00 O ATOM 0 H SER A 7 9.575 30.542 -12.910 1.00 0.00 H new ATOM 0 HA SER A 7 9.540 28.235 -13.283 1.00 0.00 H new ATOM 0 HB2 SER A 7 8.110 27.525 -10.890 1.00 0.00 H new ATOM 0 HB3 SER A 7 8.632 26.513 -12.221 1.00 0.00 H new ATOM 0 HG SER A 7 10.066 27.249 -10.122 1.00 0.00 H new ATOM 117 N GLU A 8 6.793 27.772 -13.753 1.00 0.00 N ATOM 118 CA GLU A 8 5.478 27.863 -14.387 1.00 0.00 C ATOM 119 C GLU A 8 4.467 27.734 -13.251 1.00 0.00 C ATOM 120 O GLU A 8 4.398 26.727 -12.546 1.00 0.00 O ATOM 121 CB GLU A 8 5.305 26.701 -15.394 1.00 0.00 C ATOM 122 CG GLU A 8 3.999 26.792 -16.199 1.00 0.00 C ATOM 123 CD GLU A 8 3.007 25.666 -15.849 1.00 0.00 C ATOM 124 OE1 GLU A 8 3.244 24.554 -16.377 1.00 0.00 O ATOM 125 OE2 GLU A 8 2.017 25.965 -15.157 1.00 0.00 O ATOM 0 H GLU A 8 7.142 26.821 -13.635 1.00 0.00 H new ATOM 0 HA GLU A 8 5.348 28.796 -14.935 1.00 0.00 H new ATOM 0 HB2 GLU A 8 6.150 26.696 -16.083 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.327 25.754 -14.855 1.00 0.00 H new ATOM 0 HG2 GLU A 8 3.528 27.757 -16.012 1.00 0.00 H new ATOM 0 HG3 GLU A 8 4.229 26.750 -17.264 1.00 0.00 H new ATOM 132 N GLU A 9 3.696 28.814 -13.092 1.00 0.00 N ATOM 133 CA GLU A 9 2.740 28.971 -12.013 1.00 0.00 C ATOM 134 C GLU A 9 1.576 29.823 -12.524 1.00 0.00 C ATOM 135 O GLU A 9 1.760 30.923 -13.030 1.00 0.00 O ATOM 136 CB GLU A 9 3.379 29.608 -10.759 1.00 0.00 C ATOM 137 CG GLU A 9 2.511 29.368 -9.514 1.00 0.00 C ATOM 138 CD GLU A 9 3.098 29.991 -8.246 1.00 0.00 C ATOM 139 OE1 GLU A 9 4.333 30.171 -8.187 1.00 0.00 O ATOM 140 OE2 GLU A 9 2.324 30.141 -7.259 1.00 0.00 O ATOM 0 H GLU A 9 3.726 29.613 -13.725 1.00 0.00 H new ATOM 0 HA GLU A 9 2.383 27.987 -11.709 1.00 0.00 H new ATOM 0 HB2 GLU A 9 4.372 29.188 -10.600 1.00 0.00 H new ATOM 0 HB3 GLU A 9 3.507 30.679 -10.916 1.00 0.00 H new ATOM 0 HG2 GLU A 9 1.516 29.779 -9.687 1.00 0.00 H new ATOM 0 HG3 GLU A 9 2.391 28.295 -9.363 1.00 0.00 H new ATOM 147 N TRP A 10 0.368 29.335 -12.257 1.00 0.00 N ATOM 148 CA TRP A 10 -0.886 29.903 -12.774 1.00 0.00 C ATOM 149 C TRP A 10 -1.467 30.828 -11.699 1.00 0.00 C ATOM 150 O TRP A 10 -2.359 31.620 -12.004 1.00 0.00 O ATOM 151 CB TRP A 10 -1.893 28.773 -13.040 1.00 0.00 C ATOM 152 CG TRP A 10 -2.197 27.889 -11.858 1.00 0.00 C ATOM 153 CD1 TRP A 10 -1.554 26.735 -11.551 1.00 0.00 C ATOM 154 CD2 TRP A 10 -3.183 28.096 -10.799 1.00 0.00 C ATOM 155 NE1 TRP A 10 -2.072 26.224 -10.378 1.00 0.00 N ATOM 156 CE2 TRP A 10 -3.071 27.014 -9.868 1.00 0.00 C ATOM 157 CE3 TRP A 10 -4.145 29.081 -10.515 1.00 0.00 C ATOM 158 CZ2 TRP A 10 -3.884 26.922 -8.719 1.00 0.00 C ATOM 159 CZ3 TRP A 10 -4.958 29.009 -9.365 1.00 0.00 C ATOM 160 CH2 TRP A 10 -4.832 27.930 -8.472 1.00 0.00 C ATOM 0 H TRP A 10 0.224 28.518 -11.664 1.00 0.00 H new ATOM 0 HA TRP A 10 -0.695 30.447 -13.699 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -2.825 29.215 -13.391 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -1.510 28.151 -13.849 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -0.762 26.287 -12.132 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -1.750 25.360 -9.942 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -4.264 29.913 -11.194 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -3.780 26.089 -8.039 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -5.681 29.787 -9.169 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -5.463 27.876 -7.597 1.00 0.00 H new ATOM 171 N ASP A 11 -0.869 30.855 -10.507 1.00 0.00 N ATOM 172 CA ASP A 11 -1.250 31.716 -9.395 1.00 0.00 C ATOM 173 C ASP A 11 -0.062 32.640 -9.063 1.00 0.00 C ATOM 174 O ASP A 11 1.061 32.475 -9.531 1.00 0.00 O ATOM 175 CB ASP A 11 -1.622 30.867 -8.157 1.00 0.00 C ATOM 176 CG ASP A 11 -2.540 31.602 -7.159 1.00 0.00 C ATOM 177 OD1 ASP A 11 -3.658 31.999 -7.572 1.00 0.00 O ATOM 178 OD2 ASP A 11 -2.189 31.758 -5.964 1.00 0.00 O ATOM 0 H ASP A 11 -0.076 30.253 -10.285 1.00 0.00 H new ATOM 0 HA ASP A 11 -2.121 32.310 -9.673 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -2.116 29.954 -8.488 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -0.708 30.567 -7.644 1.00 0.00 H new ATOM 183 N LEU A 12 -0.338 33.633 -8.224 1.00 0.00 N ATOM 184 CA LEU A 12 0.600 34.673 -7.840 1.00 0.00 C ATOM 185 C LEU A 12 0.535 34.813 -6.327 1.00 0.00 C ATOM 186 O LEU A 12 -0.461 34.521 -5.662 1.00 0.00 O ATOM 187 CB LEU A 12 0.358 36.019 -8.586 1.00 0.00 C ATOM 188 CG LEU A 12 -1.078 36.573 -8.812 1.00 0.00 C ATOM 189 CD1 LEU A 12 -1.804 35.908 -9.986 1.00 0.00 C ATOM 190 CD2 LEU A 12 -1.973 36.542 -7.567 1.00 0.00 C ATOM 0 H LEU A 12 -1.251 33.736 -7.780 1.00 0.00 H new ATOM 0 HA LEU A 12 1.608 34.386 -8.140 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.913 36.786 -8.045 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.820 35.925 -9.569 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.904 37.620 -9.059 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.800 36.339 -10.090 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.240 36.074 -10.904 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.890 34.837 -9.801 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.955 36.946 -7.814 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.080 35.514 -7.222 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.521 37.144 -6.779 1.00 0.00 H new ATOM 202 N MET A 13 1.517 35.515 -5.778 1.00 0.00 N ATOM 203 CA MET A 13 1.662 35.607 -4.327 1.00 0.00 C ATOM 204 C MET A 13 1.595 37.100 -4.019 1.00 0.00 C ATOM 205 O MET A 13 1.811 37.980 -4.848 1.00 0.00 O ATOM 206 CB MET A 13 3.003 34.965 -3.845 1.00 0.00 C ATOM 207 CG MET A 13 3.126 33.462 -4.107 1.00 0.00 C ATOM 208 SD MET A 13 1.730 32.419 -3.582 1.00 0.00 S ATOM 209 CE MET A 13 1.449 33.021 -1.902 1.00 0.00 C ATOM 0 H MET A 13 2.222 36.027 -6.309 1.00 0.00 H new ATOM 0 HA MET A 13 0.882 35.057 -3.800 1.00 0.00 H new ATOM 0 HB2 MET A 13 3.831 35.474 -4.338 1.00 0.00 H new ATOM 0 HB3 MET A 13 3.111 35.143 -2.775 1.00 0.00 H new ATOM 0 HG2 MET A 13 3.276 33.315 -5.177 1.00 0.00 H new ATOM 0 HG3 MET A 13 4.025 33.103 -3.607 1.00 0.00 H new ATOM 0 HE1 MET A 13 0.877 32.281 -1.341 1.00 0.00 H new ATOM 0 HE2 MET A 13 2.407 33.188 -1.410 1.00 0.00 H new ATOM 0 HE3 MET A 13 0.892 33.957 -1.939 1.00 0.00 H new ATOM 219 N THR A 14 1.329 37.417 -2.757 1.00 0.00 N ATOM 220 CA THR A 14 1.130 38.796 -2.309 1.00 0.00 C ATOM 221 C THR A 14 1.618 38.884 -0.873 1.00 0.00 C ATOM 222 O THR A 14 1.531 37.913 -0.096 1.00 0.00 O ATOM 223 CB THR A 14 -0.344 39.292 -2.441 1.00 0.00 C ATOM 224 OG1 THR A 14 -0.384 40.667 -2.158 1.00 0.00 O ATOM 225 CG2 THR A 14 -1.371 38.604 -1.533 1.00 0.00 C ATOM 0 H THR A 14 1.244 36.726 -2.012 1.00 0.00 H new ATOM 0 HA THR A 14 1.701 39.460 -2.959 1.00 0.00 H new ATOM 0 HB THR A 14 -0.631 39.044 -3.463 1.00 0.00 H new ATOM 0 HG1 THR A 14 -1.305 40.991 -2.239 1.00 0.00 H new ATOM 0 HG21 THR A 14 -2.358 39.030 -1.712 1.00 0.00 H new ATOM 0 HG22 THR A 14 -1.392 37.536 -1.751 1.00 0.00 H new ATOM 0 HG23 THR A 14 -1.094 38.756 -0.490 1.00 0.00 H new ATOM 233 N PHE A 15 2.095 40.053 -0.458 1.00 0.00 N ATOM 234 CA PHE A 15 2.843 40.193 0.787 1.00 0.00 C ATOM 235 C PHE A 15 1.846 40.911 1.685 1.00 0.00 C ATOM 236 O PHE A 15 1.828 42.146 1.811 1.00 0.00 O ATOM 237 CB PHE A 15 4.138 41.031 0.621 1.00 0.00 C ATOM 238 CG PHE A 15 5.132 40.847 1.750 1.00 0.00 C ATOM 239 CD1 PHE A 15 5.926 39.686 1.780 1.00 0.00 C ATOM 240 CD2 PHE A 15 5.270 41.816 2.772 1.00 0.00 C ATOM 241 CE1 PHE A 15 6.861 39.486 2.811 1.00 0.00 C ATOM 242 CE2 PHE A 15 6.204 41.615 3.813 1.00 0.00 C ATOM 243 CZ PHE A 15 7.000 40.456 3.823 1.00 0.00 C ATOM 0 H PHE A 15 1.975 40.926 -0.972 1.00 0.00 H new ATOM 0 HA PHE A 15 3.191 39.235 1.174 1.00 0.00 H new ATOM 0 HB2 PHE A 15 4.617 40.761 -0.320 1.00 0.00 H new ATOM 0 HB3 PHE A 15 3.871 42.086 0.552 1.00 0.00 H new ATOM 0 HD1 PHE A 15 5.816 38.942 1.005 1.00 0.00 H new ATOM 0 HD2 PHE A 15 4.662 42.708 2.756 1.00 0.00 H new ATOM 0 HE1 PHE A 15 7.469 38.594 2.827 1.00 0.00 H new ATOM 0 HE2 PHE A 15 6.306 42.349 4.598 1.00 0.00 H new ATOM 0 HZ PHE A 15 7.723 40.308 4.612 1.00 0.00 H new ATOM 253 N ASP A 16 1.105 40.074 2.422 1.00 0.00 N ATOM 254 CA ASP A 16 -0.042 40.480 3.225 1.00 0.00 C ATOM 255 C ASP A 16 -0.198 39.474 4.375 1.00 0.00 C ATOM 256 O ASP A 16 0.198 38.304 4.272 1.00 0.00 O ATOM 257 CB ASP A 16 -1.363 40.522 2.385 1.00 0.00 C ATOM 258 CG ASP A 16 -2.051 41.878 2.520 1.00 0.00 C ATOM 259 OD1 ASP A 16 -1.521 42.838 1.930 1.00 0.00 O ATOM 260 OD2 ASP A 16 -3.066 41.923 3.253 1.00 0.00 O ATOM 0 H ASP A 16 1.296 39.073 2.474 1.00 0.00 H new ATOM 0 HA ASP A 16 0.134 41.488 3.601 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.138 40.326 1.336 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -2.037 39.733 2.719 1.00 0.00 H new ATOM 265 N ALA A 17 -0.869 39.905 5.430 1.00 0.00 N ATOM 266 CA ALA A 17 -0.992 39.146 6.669 1.00 0.00 C ATOM 267 C ALA A 17 -2.306 39.583 7.326 1.00 0.00 C ATOM 268 O ALA A 17 -2.633 40.755 7.446 1.00 0.00 O ATOM 269 CB ALA A 17 0.182 39.400 7.653 1.00 0.00 C ATOM 0 H ALA A 17 -1.351 40.804 5.453 1.00 0.00 H new ATOM 0 HA ALA A 17 -0.973 38.081 6.435 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.034 38.808 8.556 1.00 0.00 H new ATOM 0 HB2 ALA A 17 1.121 39.113 7.180 1.00 0.00 H new ATOM 0 HB3 ALA A 17 0.215 40.458 7.914 1.00 0.00 H new ATOM 275 N ASN A 18 -3.050 38.563 7.769 1.00 0.00 N ATOM 276 CA ASN A 18 -4.393 38.714 8.334 1.00 0.00 C ATOM 277 C ASN A 18 -4.298 38.360 9.833 1.00 0.00 C ATOM 278 O ASN A 18 -3.333 37.725 10.256 1.00 0.00 O ATOM 279 CB ASN A 18 -5.390 37.770 7.618 1.00 0.00 C ATOM 280 CG ASN A 18 -6.275 38.493 6.604 1.00 0.00 C ATOM 281 OD1 ASN A 18 -7.480 38.349 6.631 1.00 0.00 O ATOM 282 ND2 ASN A 18 -5.697 39.270 5.726 1.00 0.00 N ATOM 0 H ASN A 18 -2.730 37.595 7.744 1.00 0.00 H new ATOM 0 HA ASN A 18 -4.755 39.733 8.201 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.834 36.982 7.110 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -6.022 37.286 8.363 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -6.261 39.773 5.041 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -4.682 39.373 5.726 1.00 0.00 H new ATOM 289 N PRO A 19 -5.284 38.792 10.634 1.00 0.00 N ATOM 290 CA PRO A 19 -5.337 38.546 12.074 1.00 0.00 C ATOM 291 C PRO A 19 -5.703 37.072 12.336 1.00 0.00 C ATOM 292 O PRO A 19 -6.850 36.745 12.630 1.00 0.00 O ATOM 293 CB PRO A 19 -6.348 39.564 12.617 1.00 0.00 C ATOM 294 CG PRO A 19 -7.328 39.740 11.458 1.00 0.00 C ATOM 295 CD PRO A 19 -6.410 39.630 10.237 1.00 0.00 C ATOM 0 HA PRO A 19 -4.384 38.684 12.585 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.847 39.196 13.513 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -5.867 40.505 12.884 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -8.100 38.970 11.457 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -7.838 40.703 11.499 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -6.940 39.191 9.392 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -6.067 40.615 9.921 1.00 0.00 H new ATOM 303 N TYR A 20 -4.699 36.191 12.184 1.00 0.00 N ATOM 304 CA TYR A 20 -4.814 34.783 12.517 1.00 0.00 C ATOM 305 C TYR A 20 -3.923 34.440 13.727 1.00 0.00 C ATOM 306 O TYR A 20 -4.362 34.698 14.835 1.00 0.00 O ATOM 307 CB TYR A 20 -4.459 33.928 11.272 1.00 0.00 C ATOM 308 CG TYR A 20 -5.656 33.421 10.491 1.00 0.00 C ATOM 309 CD1 TYR A 20 -6.266 34.224 9.511 1.00 0.00 C ATOM 310 CD2 TYR A 20 -6.148 32.122 10.742 1.00 0.00 C ATOM 311 CE1 TYR A 20 -7.391 33.745 8.811 1.00 0.00 C ATOM 312 CE2 TYR A 20 -7.263 31.644 10.032 1.00 0.00 C ATOM 313 CZ TYR A 20 -7.895 32.455 9.070 1.00 0.00 C ATOM 314 OH TYR A 20 -8.961 31.979 8.376 1.00 0.00 O ATOM 0 H TYR A 20 -3.781 36.451 11.822 1.00 0.00 H new ATOM 0 HA TYR A 20 -5.841 34.555 12.803 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.833 34.522 10.606 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.863 33.074 11.592 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -5.873 35.206 9.295 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -5.668 31.496 11.479 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -7.870 34.370 8.072 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -7.637 30.649 10.225 1.00 0.00 H new ATOM 0 HH TYR A 20 -9.173 31.073 8.683 1.00 0.00 H new ATOM 324 N ASP A 21 -2.726 33.850 13.552 1.00 0.00 N ATOM 325 CA ASP A 21 -1.700 33.833 14.604 1.00 0.00 C ATOM 326 C ASP A 21 -0.281 33.897 14.020 1.00 0.00 C ATOM 327 O ASP A 21 -0.103 33.430 12.881 1.00 0.00 O ATOM 328 CB ASP A 21 -2.055 32.520 15.372 1.00 0.00 C ATOM 329 CG ASP A 21 -2.310 32.672 16.876 1.00 0.00 C ATOM 330 OD1 ASP A 21 -2.273 33.818 17.364 1.00 0.00 O ATOM 331 OD2 ASP A 21 -2.428 31.598 17.502 1.00 0.00 O ATOM 0 H ASP A 21 -2.448 33.379 12.691 1.00 0.00 H new ATOM 0 HA ASP A 21 -1.698 34.698 15.268 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -2.943 32.083 14.915 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -1.241 31.808 15.231 1.00 0.00 H new ATOM 336 N SER A 22 0.711 33.689 14.886 1.00 0.00 N ATOM 337 CA SER A 22 2.144 33.643 14.488 1.00 0.00 C ATOM 338 C SER A 22 2.594 32.185 14.544 1.00 0.00 C ATOM 339 O SER A 22 3.328 31.726 13.665 1.00 0.00 O ATOM 340 CB SER A 22 3.044 34.533 15.372 1.00 0.00 C ATOM 341 OG SER A 22 3.242 33.956 16.646 1.00 0.00 O ATOM 0 H SER A 22 0.559 33.546 15.884 1.00 0.00 H new ATOM 0 HA SER A 22 2.242 34.043 13.479 1.00 0.00 H new ATOM 0 HB2 SER A 22 4.007 34.680 14.883 1.00 0.00 H new ATOM 0 HB3 SER A 22 2.589 35.518 15.483 1.00 0.00 H new ATOM 0 HG SER A 22 3.817 34.540 17.184 1.00 0.00 H new ATOM 347 N VAL A 23 1.984 31.405 15.439 1.00 0.00 N ATOM 348 CA VAL A 23 2.202 29.962 15.593 1.00 0.00 C ATOM 349 C VAL A 23 1.450 29.212 14.491 1.00 0.00 C ATOM 350 O VAL A 23 1.873 28.119 14.104 1.00 0.00 O ATOM 351 CB VAL A 23 1.814 29.404 16.969 1.00 0.00 C ATOM 352 CG1 VAL A 23 2.789 29.895 18.047 1.00 0.00 C ATOM 353 CG2 VAL A 23 0.364 29.721 17.352 1.00 0.00 C ATOM 0 H VAL A 23 1.300 31.772 16.101 1.00 0.00 H new ATOM 0 HA VAL A 23 3.277 29.806 15.507 1.00 0.00 H new ATOM 0 HB VAL A 23 1.884 28.318 16.901 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.496 29.488 19.015 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.798 29.562 17.804 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.766 30.984 18.089 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.147 29.301 18.334 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.223 30.801 17.380 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.311 29.286 16.615 1.00 0.00 H new ATOM 363 N LEU A 24 0.449 29.828 13.852 1.00 0.00 N ATOM 364 CA LEU A 24 -0.297 29.239 12.740 1.00 0.00 C ATOM 365 C LEU A 24 0.642 29.058 11.537 1.00 0.00 C ATOM 366 O LEU A 24 0.408 28.172 10.732 1.00 0.00 O ATOM 367 CB LEU A 24 -1.526 30.090 12.364 1.00 0.00 C ATOM 368 CG LEU A 24 -2.872 29.348 12.409 1.00 0.00 C ATOM 369 CD1 LEU A 24 -2.938 28.148 11.451 1.00 0.00 C ATOM 370 CD2 LEU A 24 -3.226 28.880 13.824 1.00 0.00 C ATOM 0 H LEU A 24 0.131 30.765 14.099 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.674 28.264 13.050 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.577 30.944 13.039 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.381 30.486 11.359 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.605 30.084 12.079 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.914 27.670 11.533 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.787 28.491 10.427 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.160 27.431 11.712 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.184 28.361 13.807 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.453 28.202 14.187 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.292 29.743 14.487 1.00 0.00 H new ATOM 382 N LYS A 25 1.705 29.864 11.385 1.00 0.00 N ATOM 383 CA LYS A 25 2.615 29.820 10.228 1.00 0.00 C ATOM 384 C LYS A 25 3.595 28.644 10.307 1.00 0.00 C ATOM 385 O LYS A 25 3.766 27.927 9.322 1.00 0.00 O ATOM 386 CB LYS A 25 3.376 31.144 10.087 1.00 0.00 C ATOM 387 CG LYS A 25 3.256 31.693 8.659 1.00 0.00 C ATOM 388 CD LYS A 25 4.581 32.176 8.051 1.00 0.00 C ATOM 389 CE LYS A 25 5.449 30.961 7.682 1.00 0.00 C ATOM 390 NZ LYS A 25 6.397 31.295 6.603 1.00 0.00 N ATOM 0 H LYS A 25 1.960 30.574 12.071 1.00 0.00 H new ATOM 0 HA LYS A 25 1.999 29.670 9.341 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.982 31.872 10.796 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.426 30.993 10.336 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.838 30.916 8.018 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.547 32.521 8.660 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.388 32.781 7.165 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.109 32.811 8.762 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.998 30.622 8.561 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.810 30.136 7.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.262 30.729 6.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.962 31.086 5.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.636 32.306 6.652 1.00 0.00 H new ATOM 404 N ILE A 26 4.215 28.433 11.466 1.00 0.00 N ATOM 405 CA ILE A 26 5.155 27.326 11.716 1.00 0.00 C ATOM 406 C ILE A 26 4.347 26.033 11.803 1.00 0.00 C ATOM 407 O ILE A 26 4.757 25.031 11.229 1.00 0.00 O ATOM 408 CB ILE A 26 6.006 27.558 12.997 1.00 0.00 C ATOM 409 CG1 ILE A 26 6.896 26.327 13.284 1.00 0.00 C ATOM 410 CG2 ILE A 26 5.158 27.952 14.223 1.00 0.00 C ATOM 411 CD1 ILE A 26 7.840 26.478 14.490 1.00 0.00 C ATOM 0 H ILE A 26 4.080 29.035 12.278 1.00 0.00 H new ATOM 0 HA ILE A 26 5.870 27.264 10.896 1.00 0.00 H new ATOM 0 HB ILE A 26 6.653 28.414 12.802 1.00 0.00 H new ATOM 0 HG12 ILE A 26 6.253 25.463 13.450 1.00 0.00 H new ATOM 0 HG13 ILE A 26 7.494 26.114 12.398 1.00 0.00 H new ATOM 0 HG21 ILE A 26 5.810 28.100 15.084 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.621 28.877 14.012 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.443 27.159 14.441 1.00 0.00 H new ATOM 0 HD11 ILE A 26 8.423 25.565 14.612 1.00 0.00 H new ATOM 0 HD12 ILE A 26 8.513 27.319 14.322 1.00 0.00 H new ATOM 0 HD13 ILE A 26 7.253 26.657 15.391 1.00 0.00 H new ATOM 423 N LYS A 27 3.147 26.047 12.394 1.00 0.00 N ATOM 424 CA LYS A 27 2.305 24.857 12.585 1.00 0.00 C ATOM 425 C LYS A 27 1.666 24.446 11.254 1.00 0.00 C ATOM 426 O LYS A 27 1.586 23.244 10.999 1.00 0.00 O ATOM 427 CB LYS A 27 1.255 25.110 13.671 1.00 0.00 C ATOM 428 CG LYS A 27 0.577 23.820 14.154 1.00 0.00 C ATOM 429 CD LYS A 27 1.495 23.004 15.075 1.00 0.00 C ATOM 430 CE LYS A 27 0.953 21.585 15.272 1.00 0.00 C ATOM 431 NZ LYS A 27 1.973 20.577 14.922 1.00 0.00 N ATOM 0 H LYS A 27 2.725 26.900 12.760 1.00 0.00 H new ATOM 0 HA LYS A 27 2.926 24.028 12.924 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.728 25.606 14.519 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.497 25.791 13.285 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.342 24.069 14.685 1.00 0.00 H new ATOM 0 HG3 LYS A 27 0.294 23.214 13.293 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.497 22.959 14.648 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.582 23.501 16.041 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.644 21.450 16.309 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.067 21.441 14.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.582 19.624 15.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 2.249 20.694 13.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.808 20.703 15.529 1.00 0.00 H new ATOM 445 N GLU A 28 1.385 25.388 10.357 1.00 0.00 N ATOM 446 CA GLU A 28 0.854 25.103 9.005 1.00 0.00 C ATOM 447 C GLU A 28 1.955 24.489 8.134 1.00 0.00 C ATOM 448 O GLU A 28 1.646 23.726 7.238 1.00 0.00 O ATOM 449 CB GLU A 28 0.368 26.386 8.309 1.00 0.00 C ATOM 450 CG GLU A 28 -1.108 26.659 8.566 1.00 0.00 C ATOM 451 CD GLU A 28 -1.961 26.201 7.371 1.00 0.00 C ATOM 452 OE1 GLU A 28 -1.897 26.905 6.334 1.00 0.00 O ATOM 453 OE2 GLU A 28 -2.590 25.134 7.501 1.00 0.00 O ATOM 0 H GLU A 28 1.517 26.383 10.539 1.00 0.00 H new ATOM 0 HA GLU A 28 0.017 24.415 9.123 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.958 27.233 8.659 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.538 26.301 7.236 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.428 26.138 9.468 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.261 27.724 8.742 1.00 0.00 H new ATOM 460 N HIS A 29 3.233 24.737 8.433 1.00 0.00 N ATOM 461 CA HIS A 29 4.357 24.156 7.708 1.00 0.00 C ATOM 462 C HIS A 29 4.586 22.686 8.143 1.00 0.00 C ATOM 463 O HIS A 29 5.261 21.954 7.442 1.00 0.00 O ATOM 464 CB HIS A 29 5.618 25.023 7.852 1.00 0.00 C ATOM 465 CG HIS A 29 6.772 24.489 7.032 1.00 0.00 C ATOM 466 ND1 HIS A 29 6.667 24.019 5.713 1.00 0.00 N ATOM 467 CD2 HIS A 29 7.999 24.182 7.523 1.00 0.00 C ATOM 468 CE1 HIS A 29 7.812 23.360 5.488 1.00 0.00 C ATOM 469 NE2 HIS A 29 8.653 23.485 6.530 1.00 0.00 N ATOM 0 H HIS A 29 3.515 25.354 9.194 1.00 0.00 H new ATOM 0 HA HIS A 29 4.116 24.139 6.645 1.00 0.00 H new ATOM 0 HB2 HIS A 29 5.394 26.043 7.540 1.00 0.00 H new ATOM 0 HB3 HIS A 29 5.909 25.067 8.901 1.00 0.00 H new ATOM 0 HD2 HIS A 29 8.387 24.434 8.499 1.00 0.00 H new ATOM 0 HE1 HIS A 29 8.030 22.803 4.589 1.00 0.00 H new ATOM 0 HE2 HIS A 29 9.607 23.127 6.577 1.00 0.00 H new ATOM 477 N VAL A 30 4.040 22.236 9.277 1.00 0.00 N ATOM 478 CA VAL A 30 4.138 20.858 9.775 1.00 0.00 C ATOM 479 C VAL A 30 2.821 20.092 9.561 1.00 0.00 C ATOM 480 O VAL A 30 2.841 18.885 9.306 1.00 0.00 O ATOM 481 CB VAL A 30 4.622 20.785 11.221 1.00 0.00 C ATOM 482 CG1 VAL A 30 5.016 19.346 11.605 1.00 0.00 C ATOM 483 CG2 VAL A 30 5.862 21.666 11.455 1.00 0.00 C ATOM 0 H VAL A 30 3.499 22.841 9.895 1.00 0.00 H new ATOM 0 HA VAL A 30 4.905 20.361 9.181 1.00 0.00 H new ATOM 0 HB VAL A 30 3.790 21.136 11.831 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.357 19.326 12.640 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.152 18.690 11.494 1.00 0.00 H new ATOM 0 HG13 VAL A 30 5.818 19.002 10.952 1.00 0.00 H new ATOM 0 HG21 VAL A 30 6.174 21.586 12.496 1.00 0.00 H new ATOM 0 HG22 VAL A 30 6.672 21.333 10.806 1.00 0.00 H new ATOM 0 HG23 VAL A 30 5.619 22.704 11.228 1.00 0.00 H new ATOM 493 N ARG A 31 1.675 20.789 9.495 1.00 0.00 N ATOM 494 CA ARG A 31 0.338 20.190 9.500 1.00 0.00 C ATOM 495 C ARG A 31 0.053 19.872 8.031 1.00 0.00 C ATOM 496 O ARG A 31 -0.232 20.720 7.198 1.00 0.00 O ATOM 497 CB ARG A 31 -0.679 21.251 9.995 1.00 0.00 C ATOM 498 CG ARG A 31 -2.120 20.701 10.103 1.00 0.00 C ATOM 499 CD ARG A 31 -3.168 21.735 9.666 1.00 0.00 C ATOM 500 NE ARG A 31 -4.483 21.492 10.290 1.00 0.00 N ATOM 501 CZ ARG A 31 -5.335 20.518 10.030 1.00 0.00 C ATOM 502 NH1 ARG A 31 -5.115 19.608 9.120 1.00 0.00 N ATOM 503 NH2 ARG A 31 -6.452 20.430 10.725 1.00 0.00 N ATOM 0 H ARG A 31 1.656 21.807 9.435 1.00 0.00 H new ATOM 0 HA ARG A 31 0.268 19.311 10.140 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.363 21.622 10.970 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.670 22.101 9.313 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.214 19.808 9.486 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.316 20.399 11.132 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.822 22.735 9.929 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.272 21.709 8.581 1.00 0.00 H new ATOM 0 HE ARG A 31 -4.768 22.157 11.009 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -4.254 19.631 8.574 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -5.804 18.874 8.955 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -6.652 21.111 11.457 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -7.116 19.680 10.531 1.00 0.00 H new ATOM 517 N SER A 32 0.232 18.583 7.737 1.00 0.00 N ATOM 518 CA SER A 32 0.175 17.998 6.385 1.00 0.00 C ATOM 519 C SER A 32 1.187 18.571 5.377 1.00 0.00 C ATOM 520 O SER A 32 1.112 18.255 4.202 1.00 0.00 O ATOM 521 CB SER A 32 -1.272 18.046 5.875 1.00 0.00 C ATOM 522 OG SER A 32 -1.600 16.848 5.202 1.00 0.00 O ATOM 0 H SER A 32 0.428 17.887 8.457 1.00 0.00 H new ATOM 0 HA SER A 32 0.495 16.960 6.476 1.00 0.00 H new ATOM 0 HB2 SER A 32 -1.954 18.198 6.712 1.00 0.00 H new ATOM 0 HB3 SER A 32 -1.399 18.894 5.202 1.00 0.00 H new ATOM 0 HG SER A 32 -2.526 16.894 4.885 1.00 0.00 H new ATOM 528 N LYS A 33 2.178 19.370 5.812 1.00 0.00 N ATOM 529 CA LYS A 33 3.125 20.131 4.971 1.00 0.00 C ATOM 530 C LYS A 33 4.571 19.625 5.079 1.00 0.00 C ATOM 531 O LYS A 33 5.277 19.683 4.089 1.00 0.00 O ATOM 532 CB LYS A 33 3.058 21.625 5.269 1.00 0.00 C ATOM 533 CG LYS A 33 2.196 22.437 4.294 1.00 0.00 C ATOM 534 CD LYS A 33 2.849 22.635 2.913 1.00 0.00 C ATOM 535 CE LYS A 33 4.128 23.477 2.988 1.00 0.00 C ATOM 536 NZ LYS A 33 5.238 22.878 2.219 1.00 0.00 N ATOM 0 H LYS A 33 2.350 19.511 6.807 1.00 0.00 H new ATOM 0 HA LYS A 33 2.808 19.964 3.941 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.669 21.763 6.278 1.00 0.00 H new ATOM 0 HB3 LYS A 33 4.070 22.029 5.260 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.237 21.935 4.165 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.988 23.413 4.732 1.00 0.00 H new ATOM 0 HD2 LYS A 33 3.083 21.662 2.481 1.00 0.00 H new ATOM 0 HD3 LYS A 33 2.138 23.118 2.243 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.924 24.478 2.608 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.428 23.586 4.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.862 23.631 1.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.781 22.238 2.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.854 22.342 1.415 1.00 0.00 H new ATOM 550 N THR A 34 4.985 19.173 6.263 1.00 0.00 N ATOM 551 CA THR A 34 6.284 18.525 6.478 1.00 0.00 C ATOM 552 C THR A 34 6.149 17.058 6.080 1.00 0.00 C ATOM 553 O THR A 34 7.105 16.464 5.618 1.00 0.00 O ATOM 554 CB THR A 34 6.800 18.673 7.920 1.00 0.00 C ATOM 555 OG1 THR A 34 7.222 19.992 8.137 1.00 0.00 O ATOM 556 CG2 THR A 34 8.003 17.803 8.263 1.00 0.00 C ATOM 0 H THR A 34 4.423 19.246 7.111 1.00 0.00 H new ATOM 0 HA THR A 34 7.031 19.021 5.858 1.00 0.00 H new ATOM 0 HB THR A 34 5.958 18.368 8.541 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.540 20.612 7.805 1.00 0.00 H new ATOM 0 HG21 THR A 34 8.294 17.976 9.299 1.00 0.00 H new ATOM 0 HG22 THR A 34 7.742 16.753 8.130 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.835 18.056 7.606 1.00 0.00 H new ATOM 564 N LYS A 35 4.938 16.477 6.210 1.00 0.00 N ATOM 565 CA LYS A 35 4.675 15.072 5.863 1.00 0.00 C ATOM 566 C LYS A 35 4.632 14.919 4.328 1.00 0.00 C ATOM 567 O LYS A 35 5.301 14.045 3.819 1.00 0.00 O ATOM 568 CB LYS A 35 3.296 14.622 6.397 1.00 0.00 C ATOM 569 CG LYS A 35 3.367 13.944 7.762 1.00 0.00 C ATOM 570 CD LYS A 35 3.447 14.900 8.959 1.00 0.00 C ATOM 571 CE LYS A 35 4.800 14.866 9.681 1.00 0.00 C ATOM 572 NZ LYS A 35 5.042 13.556 10.319 1.00 0.00 N ATOM 0 H LYS A 35 4.117 16.972 6.559 1.00 0.00 H new ATOM 0 HA LYS A 35 5.467 14.468 6.305 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.640 15.490 6.464 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.844 13.935 5.681 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.489 13.309 7.881 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.238 13.289 7.781 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.253 15.916 8.616 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.659 14.647 9.669 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.598 15.078 8.970 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.830 15.651 10.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.790 13.652 11.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.167 13.224 10.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.339 12.868 9.598 1.00 0.00 H new ATOM 586 N VAL A 36 4.011 15.857 3.597 1.00 0.00 N ATOM 587 CA VAL A 36 3.909 15.717 2.137 1.00 0.00 C ATOM 588 C VAL A 36 5.081 16.504 1.533 1.00 0.00 C ATOM 589 O VAL A 36 5.384 17.613 1.996 1.00 0.00 O ATOM 590 CB VAL A 36 2.534 16.249 1.635 1.00 0.00 C ATOM 591 CG1 VAL A 36 2.434 17.778 1.478 1.00 0.00 C ATOM 592 CG2 VAL A 36 2.156 15.599 0.296 1.00 0.00 C ATOM 0 H VAL A 36 3.582 16.700 3.980 1.00 0.00 H new ATOM 0 HA VAL A 36 3.964 14.672 1.832 1.00 0.00 H new ATOM 0 HB VAL A 36 1.839 15.972 2.427 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.438 18.043 1.124 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.616 18.255 2.441 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.178 18.119 0.758 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.192 15.985 -0.036 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.917 15.832 -0.449 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.090 14.518 0.422 1.00 0.00 H new ATOM 602 N PRO A 37 5.801 15.961 0.536 1.00 0.00 N ATOM 603 CA PRO A 37 6.855 16.689 -0.166 1.00 0.00 C ATOM 604 C PRO A 37 6.291 17.884 -0.955 1.00 0.00 C ATOM 605 O PRO A 37 6.964 18.904 -1.104 1.00 0.00 O ATOM 606 CB PRO A 37 7.524 15.669 -1.097 1.00 0.00 C ATOM 607 CG PRO A 37 6.431 14.634 -1.345 1.00 0.00 C ATOM 608 CD PRO A 37 5.667 14.614 -0.016 1.00 0.00 C ATOM 0 HA PRO A 37 7.572 17.114 0.536 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.855 16.132 -2.026 1.00 0.00 H new ATOM 0 HB3 PRO A 37 8.403 15.220 -0.634 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.787 14.919 -2.177 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.848 13.656 -1.585 1.00 0.00 H new ATOM 0 HD2 PRO A 37 4.619 14.356 -0.170 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.082 13.869 0.663 1.00 0.00 H new ATOM 616 N VAL A 38 4.986 17.856 -1.264 1.00 0.00 N ATOM 617 CA VAL A 38 4.281 18.845 -2.071 1.00 0.00 C ATOM 618 C VAL A 38 2.785 18.521 -2.085 1.00 0.00 C ATOM 619 O VAL A 38 2.380 17.396 -2.339 1.00 0.00 O ATOM 620 CB VAL A 38 4.827 18.883 -3.533 1.00 0.00 C ATOM 621 CG1 VAL A 38 4.725 17.549 -4.292 1.00 0.00 C ATOM 622 CG2 VAL A 38 4.143 20.022 -4.308 1.00 0.00 C ATOM 0 H VAL A 38 4.373 17.108 -0.941 1.00 0.00 H new ATOM 0 HA VAL A 38 4.444 19.827 -1.626 1.00 0.00 H new ATOM 0 HB VAL A 38 5.898 19.071 -3.457 1.00 0.00 H new ATOM 0 HG11 VAL A 38 5.128 17.671 -5.298 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.295 16.785 -3.763 1.00 0.00 H new ATOM 0 HG13 VAL A 38 3.680 17.245 -4.354 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.525 20.048 -5.329 1.00 0.00 H new ATOM 0 HG22 VAL A 38 3.066 19.854 -4.327 1.00 0.00 H new ATOM 0 HG23 VAL A 38 4.353 20.973 -3.818 1.00 0.00 H new ATOM 632 N GLN A 39 1.968 19.530 -1.754 1.00 0.00 N ATOM 633 CA GLN A 39 0.512 19.370 -1.633 1.00 0.00 C ATOM 634 C GLN A 39 -0.137 19.760 -2.956 1.00 0.00 C ATOM 635 O GLN A 39 -1.021 19.035 -3.385 1.00 0.00 O ATOM 636 CB GLN A 39 -0.045 20.242 -0.478 1.00 0.00 C ATOM 637 CG GLN A 39 -1.489 19.816 -0.091 1.00 0.00 C ATOM 638 CD GLN A 39 -2.551 20.902 -0.224 1.00 0.00 C ATOM 639 OE1 GLN A 39 -2.303 22.084 -0.033 1.00 0.00 O ATOM 640 NE2 GLN A 39 -3.794 20.509 -0.417 1.00 0.00 N ATOM 0 H GLN A 39 2.296 20.477 -1.563 1.00 0.00 H new ATOM 0 HA GLN A 39 0.281 18.330 -1.403 1.00 0.00 H new ATOM 0 HB2 GLN A 39 0.607 20.156 0.392 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -0.041 21.290 -0.777 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -1.779 18.970 -0.714 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -1.481 19.464 0.941 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -3.998 19.522 -0.576 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -4.552 21.191 -0.407 1.00 0.00 H new ATOM 649 N ASP A 40 0.299 20.876 -3.556 1.00 0.00 N ATOM 650 CA ASP A 40 -0.056 21.311 -4.915 1.00 0.00 C ATOM 651 C ASP A 40 0.944 22.365 -5.410 1.00 0.00 C ATOM 652 O ASP A 40 1.495 22.312 -6.505 1.00 0.00 O ATOM 653 CB ASP A 40 -1.469 21.932 -4.902 1.00 0.00 C ATOM 654 CG ASP A 40 -2.455 21.158 -5.778 1.00 0.00 C ATOM 655 OD1 ASP A 40 -2.404 21.402 -7.007 1.00 0.00 O ATOM 656 OD2 ASP A 40 -3.350 20.524 -5.185 1.00 0.00 O ATOM 0 H ASP A 40 0.933 21.526 -3.091 1.00 0.00 H new ATOM 0 HA ASP A 40 -0.031 20.447 -5.579 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -1.841 21.959 -3.878 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.412 22.964 -5.248 1.00 0.00 H new ATOM 661 N GLN A 41 1.339 23.283 -4.516 1.00 0.00 N ATOM 662 CA GLN A 41 2.066 24.497 -4.869 1.00 0.00 C ATOM 663 C GLN A 41 2.931 24.885 -3.667 1.00 0.00 C ATOM 664 O GLN A 41 2.462 25.439 -2.663 1.00 0.00 O ATOM 665 CB GLN A 41 1.044 25.591 -5.289 1.00 0.00 C ATOM 666 CG GLN A 41 1.542 26.596 -6.343 1.00 0.00 C ATOM 667 CD GLN A 41 0.549 26.800 -7.491 1.00 0.00 C ATOM 668 OE1 GLN A 41 0.141 25.869 -8.156 1.00 0.00 O ATOM 669 NE2 GLN A 41 0.107 28.019 -7.733 1.00 0.00 N ATOM 0 H GLN A 41 1.157 23.196 -3.516 1.00 0.00 H new ATOM 0 HA GLN A 41 2.731 24.357 -5.721 1.00 0.00 H new ATOM 0 HB2 GLN A 41 0.151 25.100 -5.675 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.744 26.144 -4.399 1.00 0.00 H new ATOM 0 HG2 GLN A 41 1.734 27.555 -5.861 1.00 0.00 H new ATOM 0 HG3 GLN A 41 2.492 26.248 -6.749 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.446 28.804 -7.177 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -0.574 28.176 -8.476 1.00 0.00 H new ATOM 678 N VAL A 42 4.248 24.657 -3.766 1.00 0.00 N ATOM 679 CA VAL A 42 5.178 24.842 -2.640 1.00 0.00 C ATOM 680 C VAL A 42 6.300 25.769 -3.101 1.00 0.00 C ATOM 681 O VAL A 42 6.843 25.665 -4.199 1.00 0.00 O ATOM 682 CB VAL A 42 5.824 23.515 -2.102 1.00 0.00 C ATOM 683 CG1 VAL A 42 4.793 22.637 -1.378 1.00 0.00 C ATOM 684 CG2 VAL A 42 6.625 22.675 -3.109 1.00 0.00 C ATOM 0 H VAL A 42 4.699 24.340 -4.625 1.00 0.00 H new ATOM 0 HA VAL A 42 4.594 25.254 -1.817 1.00 0.00 H new ATOM 0 HB VAL A 42 6.573 23.880 -1.400 1.00 0.00 H new ATOM 0 HG11 VAL A 42 5.277 21.728 -1.020 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.379 23.185 -0.532 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.991 22.374 -2.068 1.00 0.00 H new ATOM 0 HG21 VAL A 42 7.017 21.788 -2.612 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.975 22.374 -3.930 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.452 23.267 -3.500 1.00 0.00 H new ATOM 694 N LEU A 43 6.815 26.558 -2.162 1.00 0.00 N ATOM 695 CA LEU A 43 7.726 27.659 -2.492 1.00 0.00 C ATOM 696 C LEU A 43 9.056 27.199 -1.879 1.00 0.00 C ATOM 697 O LEU A 43 9.096 26.587 -0.805 1.00 0.00 O ATOM 698 CB LEU A 43 7.199 29.005 -1.878 1.00 0.00 C ATOM 699 CG LEU A 43 7.738 30.326 -2.485 1.00 0.00 C ATOM 700 CD1 LEU A 43 6.803 31.499 -2.136 1.00 0.00 C ATOM 701 CD2 LEU A 43 9.129 30.758 -1.992 1.00 0.00 C ATOM 0 H LEU A 43 6.619 26.459 -1.166 1.00 0.00 H new ATOM 0 HA LEU A 43 7.821 27.862 -3.559 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.113 29.013 -1.966 1.00 0.00 H new ATOM 0 HB3 LEU A 43 7.433 29.004 -0.813 1.00 0.00 H new ATOM 0 HG LEU A 43 7.795 30.109 -3.552 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.196 32.419 -2.570 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.809 31.304 -2.538 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.742 31.606 -1.053 1.00 0.00 H new ATOM 0 HD21 LEU A 43 9.413 31.692 -2.477 1.00 0.00 H new ATOM 0 HD22 LEU A 43 9.103 30.903 -0.912 1.00 0.00 H new ATOM 0 HD23 LEU A 43 9.858 29.986 -2.237 1.00 0.00 H new ATOM 713 N LEU A 44 10.153 27.603 -2.496 1.00 0.00 N ATOM 714 CA LEU A 44 11.505 27.207 -2.108 1.00 0.00 C ATOM 715 C LEU A 44 12.402 28.423 -2.352 1.00 0.00 C ATOM 716 O LEU A 44 12.247 29.144 -3.320 1.00 0.00 O ATOM 717 CB LEU A 44 12.119 26.018 -2.925 1.00 0.00 C ATOM 718 CG LEU A 44 11.635 24.610 -2.529 1.00 0.00 C ATOM 719 CD1 LEU A 44 10.384 24.170 -3.291 1.00 0.00 C ATOM 720 CD2 LEU A 44 12.728 23.570 -2.793 1.00 0.00 C ATOM 0 H LEU A 44 10.133 28.230 -3.300 1.00 0.00 H new ATOM 0 HA LEU A 44 11.448 26.871 -1.073 1.00 0.00 H new ATOM 0 HB2 LEU A 44 11.896 26.174 -3.980 1.00 0.00 H new ATOM 0 HB3 LEU A 44 13.203 26.052 -2.820 1.00 0.00 H new ATOM 0 HG LEU A 44 11.395 24.670 -1.467 1.00 0.00 H new ATOM 0 HD11 LEU A 44 10.093 23.171 -2.967 1.00 0.00 H new ATOM 0 HD12 LEU A 44 9.571 24.867 -3.089 1.00 0.00 H new ATOM 0 HD13 LEU A 44 10.595 24.158 -4.360 1.00 0.00 H new ATOM 0 HD21 LEU A 44 12.367 22.582 -2.507 1.00 0.00 H new ATOM 0 HD22 LEU A 44 12.982 23.570 -3.853 1.00 0.00 H new ATOM 0 HD23 LEU A 44 13.614 23.816 -2.207 1.00 0.00 H new ATOM 732 N LEU A 45 13.387 28.654 -1.470 1.00 0.00 N ATOM 733 CA LEU A 45 14.249 29.829 -1.559 1.00 0.00 C ATOM 734 C LEU A 45 15.527 29.646 -0.732 1.00 0.00 C ATOM 735 O LEU A 45 15.507 29.654 0.495 1.00 0.00 O ATOM 736 CB LEU A 45 13.515 31.102 -1.052 1.00 0.00 C ATOM 737 CG LEU A 45 14.295 32.397 -1.363 1.00 0.00 C ATOM 738 CD1 LEU A 45 14.355 32.657 -2.872 1.00 0.00 C ATOM 739 CD2 LEU A 45 13.603 33.548 -0.638 1.00 0.00 C ATOM 0 H LEU A 45 13.602 28.037 -0.687 1.00 0.00 H new ATOM 0 HA LEU A 45 14.509 29.948 -2.611 1.00 0.00 H new ATOM 0 HB2 LEU A 45 12.529 31.156 -1.512 1.00 0.00 H new ATOM 0 HB3 LEU A 45 13.361 31.024 0.024 1.00 0.00 H new ATOM 0 HG LEU A 45 15.325 32.302 -1.018 1.00 0.00 H new ATOM 0 HD11 LEU A 45 14.910 33.576 -3.061 1.00 0.00 H new ATOM 0 HD12 LEU A 45 14.854 31.823 -3.365 1.00 0.00 H new ATOM 0 HD13 LEU A 45 13.343 32.758 -3.264 1.00 0.00 H new ATOM 0 HD21 LEU A 45 14.135 34.478 -0.841 1.00 0.00 H new ATOM 0 HD22 LEU A 45 12.575 33.634 -0.990 1.00 0.00 H new ATOM 0 HD23 LEU A 45 13.605 33.356 0.435 1.00 0.00 H new ATOM 751 N GLY A 46 16.645 29.464 -1.444 1.00 0.00 N ATOM 752 CA GLY A 46 17.945 29.253 -0.818 1.00 0.00 C ATOM 753 C GLY A 46 18.061 27.858 -0.198 1.00 0.00 C ATOM 754 O GLY A 46 18.343 27.721 0.991 1.00 0.00 O ATOM 0 H GLY A 46 16.669 29.460 -2.464 1.00 0.00 H new ATOM 0 HA2 GLY A 46 18.731 29.387 -1.561 1.00 0.00 H new ATOM 0 HA3 GLY A 46 18.103 30.007 -0.047 1.00 0.00 H new ATOM 758 N SER A 47 17.793 26.831 -1.016 1.00 0.00 N ATOM 759 CA SER A 47 17.804 25.406 -0.630 1.00 0.00 C ATOM 760 C SER A 47 16.826 25.009 0.482 1.00 0.00 C ATOM 761 O SER A 47 16.881 23.898 1.003 1.00 0.00 O ATOM 762 CB SER A 47 19.226 24.926 -0.301 1.00 0.00 C ATOM 763 OG SER A 47 20.182 25.498 -1.163 1.00 0.00 O ATOM 0 H SER A 47 17.554 26.970 -1.998 1.00 0.00 H new ATOM 0 HA SER A 47 17.437 24.890 -1.518 1.00 0.00 H new ATOM 0 HB2 SER A 47 19.467 25.182 0.731 1.00 0.00 H new ATOM 0 HB3 SER A 47 19.270 23.840 -0.378 1.00 0.00 H new ATOM 0 HG SER A 47 21.075 25.172 -0.924 1.00 0.00 H new ATOM 769 N LYS A 48 15.844 25.870 0.807 1.00 0.00 N ATOM 770 CA LYS A 48 14.898 25.664 1.925 1.00 0.00 C ATOM 771 C LYS A 48 13.478 25.687 1.356 1.00 0.00 C ATOM 772 O LYS A 48 13.270 26.125 0.224 1.00 0.00 O ATOM 773 CB LYS A 48 15.154 26.755 3.017 1.00 0.00 C ATOM 774 CG LYS A 48 14.367 28.083 2.867 1.00 0.00 C ATOM 775 CD LYS A 48 13.079 28.140 3.704 1.00 0.00 C ATOM 776 CE LYS A 48 13.103 29.179 4.819 1.00 0.00 C ATOM 777 NZ LYS A 48 14.187 28.908 5.801 1.00 0.00 N ATOM 0 H LYS A 48 15.681 26.738 0.297 1.00 0.00 H new ATOM 0 HA LYS A 48 15.039 24.699 2.412 1.00 0.00 H new ATOM 0 HB2 LYS A 48 14.916 26.326 3.990 1.00 0.00 H new ATOM 0 HB3 LYS A 48 16.219 26.988 3.023 1.00 0.00 H new ATOM 0 HG2 LYS A 48 15.013 28.912 3.155 1.00 0.00 H new ATOM 0 HG3 LYS A 48 14.113 28.227 1.817 1.00 0.00 H new ATOM 0 HD2 LYS A 48 12.239 28.352 3.043 1.00 0.00 H new ATOM 0 HD3 LYS A 48 12.900 27.158 4.142 1.00 0.00 H new ATOM 0 HE2 LYS A 48 13.241 30.171 4.389 1.00 0.00 H new ATOM 0 HE3 LYS A 48 12.141 29.185 5.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 14.161 29.625 6.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 14.051 27.965 6.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 15.108 28.944 5.320 1.00 0.00 H new ATOM 791 N ILE A 49 12.494 25.406 2.193 1.00 0.00 N ATOM 792 CA ILE A 49 11.080 25.328 1.790 1.00 0.00 C ATOM 793 C ILE A 49 10.362 26.435 2.580 1.00 0.00 C ATOM 794 O ILE A 49 10.410 26.516 3.809 1.00 0.00 O ATOM 795 CB ILE A 49 10.501 23.905 2.054 1.00 0.00 C ATOM 796 CG1 ILE A 49 9.053 23.712 1.539 1.00 0.00 C ATOM 797 CG2 ILE A 49 10.571 23.461 3.534 1.00 0.00 C ATOM 798 CD1 ILE A 49 9.013 23.131 0.128 1.00 0.00 C ATOM 0 H ILE A 49 12.645 25.222 3.185 1.00 0.00 H new ATOM 0 HA ILE A 49 10.944 25.485 0.720 1.00 0.00 H new ATOM 0 HB ILE A 49 11.164 23.264 1.472 1.00 0.00 H new ATOM 0 HG12 ILE A 49 8.514 23.051 2.217 1.00 0.00 H new ATOM 0 HG13 ILE A 49 8.535 24.671 1.550 1.00 0.00 H new ATOM 0 HG21 ILE A 49 10.149 22.461 3.634 1.00 0.00 H new ATOM 0 HG22 ILE A 49 11.610 23.451 3.862 1.00 0.00 H new ATOM 0 HG23 ILE A 49 10.003 24.158 4.150 1.00 0.00 H new ATOM 0 HD11 ILE A 49 7.976 23.014 -0.188 1.00 0.00 H new ATOM 0 HD12 ILE A 49 9.528 23.804 -0.557 1.00 0.00 H new ATOM 0 HD13 ILE A 49 9.506 22.159 0.121 1.00 0.00 H new ATOM 810 N LEU A 50 9.632 27.287 1.863 1.00 0.00 N ATOM 811 CA LEU A 50 8.895 28.405 2.451 1.00 0.00 C ATOM 812 C LEU A 50 7.458 27.883 2.611 1.00 0.00 C ATOM 813 O LEU A 50 6.973 27.012 1.892 1.00 0.00 O ATOM 814 CB LEU A 50 8.880 29.643 1.499 1.00 0.00 C ATOM 815 CG LEU A 50 9.321 30.991 2.092 1.00 0.00 C ATOM 816 CD1 LEU A 50 8.436 31.415 3.276 1.00 0.00 C ATOM 817 CD2 LEU A 50 10.787 30.959 2.514 1.00 0.00 C ATOM 0 H LEU A 50 9.534 27.221 0.850 1.00 0.00 H new ATOM 0 HA LEU A 50 9.350 28.726 3.388 1.00 0.00 H new ATOM 0 HB2 LEU A 50 9.523 29.422 0.647 1.00 0.00 H new ATOM 0 HB3 LEU A 50 7.868 29.759 1.112 1.00 0.00 H new ATOM 0 HG LEU A 50 9.204 31.734 1.303 1.00 0.00 H new ATOM 0 HD11 LEU A 50 8.783 32.373 3.665 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.403 31.512 2.942 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.494 30.662 4.062 1.00 0.00 H new ATOM 0 HD21 LEU A 50 11.067 31.927 2.929 1.00 0.00 H new ATOM 0 HD22 LEU A 50 10.932 30.185 3.268 1.00 0.00 H new ATOM 0 HD23 LEU A 50 11.411 30.742 1.647 1.00 0.00 H new ATOM 829 N LYS A 51 6.734 28.551 3.515 1.00 0.00 N ATOM 830 CA LYS A 51 5.318 28.265 3.773 1.00 0.00 C ATOM 831 C LYS A 51 4.557 29.563 3.483 1.00 0.00 C ATOM 832 O LYS A 51 4.483 30.441 4.356 1.00 0.00 O ATOM 833 CB LYS A 51 5.074 27.740 5.216 1.00 0.00 C ATOM 834 CG LYS A 51 3.574 27.468 5.506 1.00 0.00 C ATOM 835 CD LYS A 51 2.957 26.434 4.562 1.00 0.00 C ATOM 836 CE LYS A 51 1.457 26.275 4.819 1.00 0.00 C ATOM 837 NZ LYS A 51 0.735 25.792 3.626 1.00 0.00 N ATOM 0 H LYS A 51 7.112 29.305 4.088 1.00 0.00 H new ATOM 0 HA LYS A 51 4.962 27.460 3.130 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.642 26.821 5.365 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.453 28.469 5.933 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.466 27.122 6.534 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.019 28.403 5.424 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.121 26.738 3.528 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.455 25.474 4.695 1.00 0.00 H new ATOM 0 HE2 LYS A 51 1.303 25.577 5.642 1.00 0.00 H new ATOM 0 HE3 LYS A 51 1.040 27.233 5.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -0.277 25.699 3.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 0.859 26.470 2.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 1.114 24.866 3.342 1.00 0.00 H new ATOM 851 N PRO A 52 4.111 29.738 2.219 1.00 0.00 N ATOM 852 CA PRO A 52 3.249 30.847 1.806 1.00 0.00 C ATOM 853 C PRO A 52 1.809 30.695 2.342 1.00 0.00 C ATOM 854 O PRO A 52 1.552 29.814 3.167 1.00 0.00 O ATOM 855 CB PRO A 52 3.343 30.831 0.263 1.00 0.00 C ATOM 856 CG PRO A 52 3.554 29.366 -0.088 1.00 0.00 C ATOM 857 CD PRO A 52 4.436 28.896 1.062 1.00 0.00 C ATOM 0 HA PRO A 52 3.563 31.807 2.215 1.00 0.00 H new ATOM 0 HB2 PRO A 52 2.434 31.222 -0.195 1.00 0.00 H new ATOM 0 HB3 PRO A 52 4.169 31.447 -0.091 1.00 0.00 H new ATOM 0 HG2 PRO A 52 2.614 28.817 -0.133 1.00 0.00 H new ATOM 0 HG3 PRO A 52 4.042 29.243 -1.055 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.252 27.845 1.285 1.00 0.00 H new ATOM 0 HD3 PRO A 52 5.491 28.987 0.802 1.00 0.00 H new ATOM 865 N ARG A 53 0.811 31.195 1.615 1.00 0.00 N ATOM 866 CA ARG A 53 -0.572 31.473 2.033 1.00 0.00 C ATOM 867 C ARG A 53 -0.929 31.753 3.504 1.00 0.00 C ATOM 868 O ARG A 53 -1.986 31.367 4.015 1.00 0.00 O ATOM 869 CB ARG A 53 -1.223 30.095 1.627 1.00 0.00 C ATOM 870 CG ARG A 53 -2.637 30.238 1.056 1.00 0.00 C ATOM 871 CD ARG A 53 -2.577 30.657 -0.412 1.00 0.00 C ATOM 872 NE ARG A 53 -3.658 31.585 -0.789 1.00 0.00 N ATOM 873 CZ ARG A 53 -3.887 32.037 -2.013 1.00 0.00 C ATOM 874 NH1 ARG A 53 -3.208 31.625 -3.046 1.00 0.00 N ATOM 875 NH2 ARG A 53 -4.817 32.950 -2.193 1.00 0.00 N ATOM 0 H ARG A 53 0.956 31.438 0.635 1.00 0.00 H new ATOM 0 HA ARG A 53 -0.888 32.417 1.589 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -0.588 29.605 0.889 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.256 29.445 2.501 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.172 29.293 1.150 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -3.195 30.978 1.630 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.615 31.129 -0.611 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.632 29.768 -1.041 1.00 0.00 H new ATOM 0 HE ARG A 53 -4.280 31.905 -0.047 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -2.470 30.930 -2.927 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -3.414 31.997 -3.973 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -5.350 33.300 -1.396 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.005 33.308 -3.129 1.00 0.00 H new ATOM 889 N ARG A 54 -0.032 32.484 4.187 1.00 0.00 N ATOM 890 CA ARG A 54 -0.195 32.887 5.585 1.00 0.00 C ATOM 891 C ARG A 54 0.582 34.151 5.976 1.00 0.00 C ATOM 892 O ARG A 54 -0.046 35.089 6.453 1.00 0.00 O ATOM 893 CB ARG A 54 0.291 31.715 6.439 1.00 0.00 C ATOM 894 CG ARG A 54 -0.395 31.626 7.812 1.00 0.00 C ATOM 895 CD ARG A 54 -1.185 30.322 7.931 1.00 0.00 C ATOM 896 NE ARG A 54 -2.405 30.318 7.099 1.00 0.00 N ATOM 897 CZ ARG A 54 -3.588 30.819 7.451 1.00 0.00 C ATOM 898 NH1 ARG A 54 -3.761 31.437 8.590 1.00 0.00 N ATOM 899 NH2 ARG A 54 -4.605 30.702 6.643 1.00 0.00 N ATOM 0 H ARG A 54 0.839 32.814 3.772 1.00 0.00 H new ATOM 0 HA ARG A 54 -1.245 33.132 5.744 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.120 30.785 5.896 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.367 31.805 6.585 1.00 0.00 H new ATOM 0 HG2 ARG A 54 0.353 31.679 8.603 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.063 32.477 7.948 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.548 29.488 7.638 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.460 30.162 8.974 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.336 29.894 6.174 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.979 31.546 9.235 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.678 31.811 8.833 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -4.492 30.229 5.747 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -5.513 31.084 6.908 1.00 0.00 H new ATOM 913 N SER A 55 1.740 34.455 5.390 1.00 0.00 N ATOM 914 CA SER A 55 2.907 35.079 6.034 1.00 0.00 C ATOM 915 C SER A 55 2.834 35.562 7.507 1.00 0.00 C ATOM 916 O SER A 55 2.117 34.974 8.302 1.00 0.00 O ATOM 917 CB SER A 55 2.693 36.441 5.210 1.00 0.00 C ATOM 918 OG SER A 55 3.830 36.776 4.433 1.00 0.00 O ATOM 0 H SER A 55 1.903 34.265 4.401 1.00 0.00 H new ATOM 0 HA SER A 55 3.777 34.422 6.035 1.00 0.00 H new ATOM 0 HB2 SER A 55 1.826 36.338 4.558 1.00 0.00 H new ATOM 0 HB3 SER A 55 2.475 37.254 5.903 1.00 0.00 H new ATOM 0 HG SER A 55 3.659 37.609 3.946 1.00 0.00 H new ATOM 924 N LEU A 56 3.785 36.421 7.921 1.00 0.00 N ATOM 925 CA LEU A 56 4.055 36.771 9.331 1.00 0.00 C ATOM 926 C LEU A 56 4.008 38.271 9.541 1.00 0.00 C ATOM 927 O LEU A 56 3.330 38.730 10.466 1.00 0.00 O ATOM 928 CB LEU A 56 5.302 36.097 9.952 1.00 0.00 C ATOM 929 CG LEU A 56 6.388 35.567 9.004 1.00 0.00 C ATOM 930 CD1 LEU A 56 7.122 36.675 8.243 1.00 0.00 C ATOM 931 CD2 LEU A 56 7.410 34.752 9.805 1.00 0.00 C ATOM 0 H LEU A 56 4.403 36.904 7.269 1.00 0.00 H new ATOM 0 HA LEU A 56 3.237 36.333 9.903 1.00 0.00 H new ATOM 0 HB2 LEU A 56 5.769 36.816 10.624 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.959 35.263 10.565 1.00 0.00 H new ATOM 0 HG LEU A 56 5.882 34.948 8.263 1.00 0.00 H new ATOM 0 HD11 LEU A 56 7.875 36.232 7.592 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.408 37.238 7.642 1.00 0.00 H new ATOM 0 HD13 LEU A 56 7.606 37.345 8.953 1.00 0.00 H new ATOM 0 HD21 LEU A 56 8.181 34.375 9.134 1.00 0.00 H new ATOM 0 HD22 LEU A 56 7.868 35.387 10.564 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.908 33.914 10.288 1.00 0.00 H new ATOM 943 N SER A 57 4.485 39.040 8.571 1.00 0.00 N ATOM 944 CA SER A 57 4.804 40.481 8.674 1.00 0.00 C ATOM 945 C SER A 57 5.168 41.057 10.067 1.00 0.00 C ATOM 946 O SER A 57 4.848 42.186 10.417 1.00 0.00 O ATOM 947 CB SER A 57 3.502 41.109 8.115 1.00 0.00 C ATOM 948 OG SER A 57 3.688 42.435 7.703 1.00 0.00 O ATOM 0 H SER A 57 4.674 38.669 7.640 1.00 0.00 H new ATOM 0 HA SER A 57 5.731 40.704 8.146 1.00 0.00 H new ATOM 0 HB2 SER A 57 3.147 40.515 7.273 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.726 41.073 8.880 1.00 0.00 H new ATOM 0 HG SER A 57 4.118 42.944 8.422 1.00 0.00 H new ATOM 954 N SER A 58 5.753 40.211 10.921 1.00 0.00 N ATOM 955 CA SER A 58 6.262 40.546 12.264 1.00 0.00 C ATOM 956 C SER A 58 7.339 41.629 12.363 1.00 0.00 C ATOM 957 O SER A 58 7.507 42.226 13.425 1.00 0.00 O ATOM 958 CB SER A 58 6.672 39.286 13.013 1.00 0.00 C ATOM 959 OG SER A 58 7.890 38.786 12.514 1.00 0.00 O ATOM 0 H SER A 58 5.893 39.228 10.689 1.00 0.00 H new ATOM 0 HA SER A 58 5.407 41.019 12.746 1.00 0.00 H new ATOM 0 HB2 SER A 58 6.771 39.505 14.076 1.00 0.00 H new ATOM 0 HB3 SER A 58 5.894 38.529 12.914 1.00 0.00 H new ATOM 0 HG SER A 58 8.139 37.977 13.008 1.00 0.00 H new ATOM 965 N TYR A 59 7.999 41.972 11.244 1.00 0.00 N ATOM 966 CA TYR A 59 9.131 42.903 11.248 1.00 0.00 C ATOM 967 C TYR A 59 8.543 44.325 11.186 1.00 0.00 C ATOM 968 O TYR A 59 9.137 45.242 11.718 1.00 0.00 O ATOM 969 CB TYR A 59 9.970 42.652 9.970 1.00 0.00 C ATOM 970 CG TYR A 59 11.366 43.273 9.972 1.00 0.00 C ATOM 971 CD1 TYR A 59 11.532 44.662 9.825 1.00 0.00 C ATOM 972 CD2 TYR A 59 12.498 42.451 10.119 1.00 0.00 C ATOM 973 CE1 TYR A 59 12.819 45.238 9.833 1.00 0.00 C ATOM 974 CE2 TYR A 59 13.793 43.017 10.138 1.00 0.00 C ATOM 975 CZ TYR A 59 13.948 44.415 9.999 1.00 0.00 C ATOM 976 OH TYR A 59 15.194 44.969 10.012 1.00 0.00 O ATOM 0 H TYR A 59 7.762 41.613 10.319 1.00 0.00 H new ATOM 0 HA TYR A 59 9.755 42.774 12.132 1.00 0.00 H new ATOM 0 HB2 TYR A 59 10.069 41.576 9.826 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.420 43.039 9.112 1.00 0.00 H new ATOM 0 HD1 TYR A 59 10.665 45.294 9.705 1.00 0.00 H new ATOM 0 HD2 TYR A 59 12.377 41.382 10.218 1.00 0.00 H new ATOM 0 HE1 TYR A 59 12.937 46.305 9.712 1.00 0.00 H new ATOM 0 HE2 TYR A 59 14.660 42.384 10.258 1.00 0.00 H new ATOM 0 HH TYR A 59 15.864 44.265 10.137 1.00 0.00 H new ATOM 986 N GLY A 60 7.339 44.477 10.617 1.00 0.00 N ATOM 987 CA GLY A 60 6.633 45.753 10.573 1.00 0.00 C ATOM 988 C GLY A 60 7.323 46.710 9.617 1.00 0.00 C ATOM 989 O GLY A 60 7.727 47.809 9.989 1.00 0.00 O ATOM 0 H GLY A 60 6.830 43.712 10.174 1.00 0.00 H new ATOM 0 HA2 GLY A 60 5.602 45.594 10.257 1.00 0.00 H new ATOM 0 HA3 GLY A 60 6.597 46.190 11.571 1.00 0.00 H new ATOM 993 N ILE A 61 7.281 46.392 8.323 1.00 0.00 N ATOM 994 CA ILE A 61 8.033 47.165 7.321 1.00 0.00 C ATOM 995 C ILE A 61 6.977 47.975 6.567 1.00 0.00 C ATOM 996 O ILE A 61 5.981 47.450 6.079 1.00 0.00 O ATOM 997 CB ILE A 61 8.780 46.254 6.284 1.00 0.00 C ATOM 998 CG1 ILE A 61 7.960 45.070 5.702 1.00 0.00 C ATOM 999 CG2 ILE A 61 10.098 45.696 6.860 1.00 0.00 C ATOM 1000 CD1 ILE A 61 7.991 45.070 4.174 1.00 0.00 C ATOM 0 H ILE A 61 6.742 45.614 7.942 1.00 0.00 H new ATOM 0 HA ILE A 61 8.793 47.769 7.817 1.00 0.00 H new ATOM 0 HB ILE A 61 8.968 46.937 5.455 1.00 0.00 H new ATOM 0 HG12 ILE A 61 8.362 44.128 6.076 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.928 45.135 6.047 1.00 0.00 H new ATOM 0 HG21 ILE A 61 10.586 45.070 6.112 1.00 0.00 H new ATOM 0 HG22 ILE A 61 10.757 46.522 7.128 1.00 0.00 H new ATOM 0 HG23 ILE A 61 9.884 45.101 7.748 1.00 0.00 H new ATOM 0 HD11 ILE A 61 7.408 44.229 3.798 1.00 0.00 H new ATOM 0 HD12 ILE A 61 7.566 46.002 3.801 1.00 0.00 H new ATOM 0 HD13 ILE A 61 9.022 44.979 3.831 1.00 0.00 H new ATOM 1012 N ASP A 62 7.346 49.222 6.260 1.00 0.00 N ATOM 1013 CA ASP A 62 6.452 50.238 5.707 1.00 0.00 C ATOM 1014 C ASP A 62 7.262 50.890 4.573 1.00 0.00 C ATOM 1015 O ASP A 62 7.690 52.040 4.599 1.00 0.00 O ATOM 1016 CB ASP A 62 5.943 51.322 6.710 1.00 0.00 C ATOM 1017 CG ASP A 62 5.117 50.855 7.924 1.00 0.00 C ATOM 1018 OD1 ASP A 62 4.792 49.654 7.987 1.00 0.00 O ATOM 1019 OD2 ASP A 62 4.814 51.725 8.773 1.00 0.00 O ATOM 0 H ASP A 62 8.299 49.559 6.393 1.00 0.00 H new ATOM 0 HA ASP A 62 5.528 49.757 5.385 1.00 0.00 H new ATOM 0 HB2 ASP A 62 6.811 51.863 7.086 1.00 0.00 H new ATOM 0 HB3 ASP A 62 5.339 52.037 6.151 1.00 0.00 H new ATOM 1024 N LYS A 63 7.386 50.097 3.489 1.00 0.00 N ATOM 1025 CA LYS A 63 8.030 50.468 2.229 1.00 0.00 C ATOM 1026 C LYS A 63 7.454 49.605 1.118 1.00 0.00 C ATOM 1027 O LYS A 63 7.407 48.384 1.228 1.00 0.00 O ATOM 1028 CB LYS A 63 9.573 50.261 2.265 1.00 0.00 C ATOM 1029 CG LYS A 63 10.385 51.493 2.719 1.00 0.00 C ATOM 1030 CD LYS A 63 11.139 51.288 4.033 1.00 0.00 C ATOM 1031 CE LYS A 63 12.266 52.333 4.145 1.00 0.00 C ATOM 1032 NZ LYS A 63 13.150 52.063 5.298 1.00 0.00 N ATOM 0 H LYS A 63 7.023 49.144 3.475 1.00 0.00 H new ATOM 0 HA LYS A 63 7.839 51.528 2.058 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.798 49.430 2.933 1.00 0.00 H new ATOM 0 HB3 LYS A 63 9.909 49.970 1.270 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.100 51.753 1.938 1.00 0.00 H new ATOM 0 HG3 LYS A 63 9.709 52.341 2.828 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.455 51.383 4.876 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.556 50.282 4.073 1.00 0.00 H new ATOM 0 HE2 LYS A 63 12.855 52.333 3.228 1.00 0.00 H new ATOM 0 HE3 LYS A 63 11.831 53.328 4.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 13.896 52.787 5.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 12.593 52.088 6.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 13.584 51.124 5.190 1.00 0.00 H new ATOM 1046 N GLU A 64 7.358 50.202 -0.073 1.00 0.00 N ATOM 1047 CA GLU A 64 6.707 49.569 -1.218 1.00 0.00 C ATOM 1048 C GLU A 64 7.890 49.025 -2.026 1.00 0.00 C ATOM 1049 O GLU A 64 8.466 49.623 -2.926 1.00 0.00 O ATOM 1050 CB GLU A 64 5.856 50.564 -2.070 1.00 0.00 C ATOM 1051 CG GLU A 64 6.483 51.943 -2.392 1.00 0.00 C ATOM 1052 CD GLU A 64 5.888 53.051 -1.529 1.00 0.00 C ATOM 1053 OE1 GLU A 64 6.232 53.055 -0.314 1.00 0.00 O ATOM 1054 OE2 GLU A 64 5.101 53.850 -2.064 1.00 0.00 O ATOM 0 H GLU A 64 7.728 51.132 -0.268 1.00 0.00 H new ATOM 0 HA GLU A 64 5.991 48.807 -0.910 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.612 50.076 -3.014 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.915 50.736 -1.547 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.561 51.898 -2.234 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.325 52.177 -3.445 1.00 0.00 H new ATOM 1061 N LYS A 65 8.161 47.738 -1.766 1.00 0.00 N ATOM 1062 CA LYS A 65 9.285 46.997 -2.340 1.00 0.00 C ATOM 1063 C LYS A 65 8.763 45.613 -2.723 1.00 0.00 C ATOM 1064 O LYS A 65 8.261 44.842 -1.896 1.00 0.00 O ATOM 1065 CB LYS A 65 10.526 46.915 -1.391 1.00 0.00 C ATOM 1066 CG LYS A 65 10.272 46.400 0.042 1.00 0.00 C ATOM 1067 CD LYS A 65 11.468 45.605 0.620 1.00 0.00 C ATOM 1068 CE LYS A 65 11.016 44.793 1.842 1.00 0.00 C ATOM 1069 NZ LYS A 65 11.661 45.249 3.095 1.00 0.00 N ATOM 0 H LYS A 65 7.590 47.174 -1.136 1.00 0.00 H new ATOM 0 HA LYS A 65 9.656 47.527 -3.217 1.00 0.00 H new ATOM 0 HB2 LYS A 65 11.269 46.268 -1.858 1.00 0.00 H new ATOM 0 HB3 LYS A 65 10.967 47.909 -1.322 1.00 0.00 H new ATOM 0 HG2 LYS A 65 10.057 47.247 0.694 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.386 45.765 0.042 1.00 0.00 H new ATOM 0 HD2 LYS A 65 11.874 44.938 -0.141 1.00 0.00 H new ATOM 0 HD3 LYS A 65 12.268 46.289 0.903 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.934 44.870 1.945 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.247 43.740 1.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 11.323 44.670 3.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 12.693 45.152 3.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 11.420 46.246 3.266 1.00 0.00 H new ATOM 1083 N THR A 66 9.078 45.207 -3.944 1.00 0.00 N ATOM 1084 CA THR A 66 8.586 43.932 -4.458 1.00 0.00 C ATOM 1085 C THR A 66 9.767 42.989 -4.263 1.00 0.00 C ATOM 1086 O THR A 66 10.903 43.394 -4.009 1.00 0.00 O ATOM 1087 CB THR A 66 8.233 43.975 -5.983 1.00 0.00 C ATOM 1088 OG1 THR A 66 9.332 44.320 -6.794 1.00 0.00 O ATOM 1089 CG2 THR A 66 7.120 44.988 -6.277 1.00 0.00 C ATOM 0 H THR A 66 9.664 45.732 -4.592 1.00 0.00 H new ATOM 0 HA THR A 66 7.669 43.640 -3.947 1.00 0.00 H new ATOM 0 HB THR A 66 7.910 42.962 -6.221 1.00 0.00 H new ATOM 0 HG1 THR A 66 9.055 44.330 -7.734 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.902 44.990 -7.345 1.00 0.00 H new ATOM 0 HG22 THR A 66 6.222 44.713 -5.724 1.00 0.00 H new ATOM 0 HG23 THR A 66 7.443 45.983 -5.971 1.00 0.00 H new ATOM 1097 N ILE A 67 9.514 41.691 -4.371 1.00 0.00 N ATOM 1098 CA ILE A 67 10.509 40.670 -4.009 1.00 0.00 C ATOM 1099 C ILE A 67 10.328 39.570 -5.053 1.00 0.00 C ATOM 1100 O ILE A 67 9.248 39.355 -5.612 1.00 0.00 O ATOM 1101 CB ILE A 67 10.359 40.038 -2.563 1.00 0.00 C ATOM 1102 CG1 ILE A 67 9.613 40.918 -1.528 1.00 0.00 C ATOM 1103 CG2 ILE A 67 11.756 39.656 -2.039 1.00 0.00 C ATOM 1104 CD1 ILE A 67 9.467 40.299 -0.121 1.00 0.00 C ATOM 0 H ILE A 67 8.628 41.312 -4.706 1.00 0.00 H new ATOM 0 HA ILE A 67 11.492 41.140 -3.990 1.00 0.00 H new ATOM 0 HB ILE A 67 9.723 39.160 -2.680 1.00 0.00 H new ATOM 0 HG12 ILE A 67 10.139 41.868 -1.436 1.00 0.00 H new ATOM 0 HG13 ILE A 67 8.618 41.141 -1.914 1.00 0.00 H new ATOM 0 HG21 ILE A 67 11.665 39.220 -1.044 1.00 0.00 H new ATOM 0 HG22 ILE A 67 12.211 38.930 -2.713 1.00 0.00 H new ATOM 0 HG23 ILE A 67 12.382 40.547 -1.989 1.00 0.00 H new ATOM 0 HD11 ILE A 67 8.932 40.992 0.528 1.00 0.00 H new ATOM 0 HD12 ILE A 67 8.911 39.364 -0.191 1.00 0.00 H new ATOM 0 HD13 ILE A 67 10.455 40.103 0.295 1.00 0.00 H new ATOM 1116 N HIS A 68 11.383 38.783 -5.235 1.00 0.00 N ATOM 1117 CA HIS A 68 11.492 37.797 -6.303 1.00 0.00 C ATOM 1118 C HIS A 68 12.085 36.578 -5.592 1.00 0.00 C ATOM 1119 O HIS A 68 13.133 36.626 -4.957 1.00 0.00 O ATOM 1120 CB HIS A 68 12.402 38.295 -7.466 1.00 0.00 C ATOM 1121 CG HIS A 68 13.199 37.206 -8.157 1.00 0.00 C ATOM 1122 ND1 HIS A 68 14.567 36.983 -7.979 1.00 0.00 N ATOM 1123 CD2 HIS A 68 12.710 36.241 -8.993 1.00 0.00 C ATOM 1124 CE1 HIS A 68 14.872 35.884 -8.670 1.00 0.00 C ATOM 1125 NE2 HIS A 68 13.779 35.422 -9.306 1.00 0.00 N ATOM 0 H HIS A 68 12.204 38.814 -4.630 1.00 0.00 H new ATOM 0 HA HIS A 68 10.537 37.584 -6.783 1.00 0.00 H new ATOM 0 HB2 HIS A 68 11.780 38.797 -8.207 1.00 0.00 H new ATOM 0 HB3 HIS A 68 13.094 39.040 -7.074 1.00 0.00 H new ATOM 0 HD1 HIS A 68 15.209 37.552 -7.427 1.00 0.00 H new ATOM 0 HD2 HIS A 68 11.692 36.139 -9.340 1.00 0.00 H new ATOM 0 HE1 HIS A 68 15.852 35.431 -8.713 1.00 0.00 H new ATOM 1133 N LEU A 69 11.392 35.457 -5.784 1.00 0.00 N ATOM 1134 CA LEU A 69 11.620 34.210 -5.043 1.00 0.00 C ATOM 1135 C LEU A 69 11.285 33.081 -6.045 1.00 0.00 C ATOM 1136 O LEU A 69 10.641 33.304 -7.075 1.00 0.00 O ATOM 1137 CB LEU A 69 10.723 34.066 -3.745 1.00 0.00 C ATOM 1138 CG LEU A 69 10.357 35.336 -2.918 1.00 0.00 C ATOM 1139 CD1 LEU A 69 8.923 35.793 -3.209 1.00 0.00 C ATOM 1140 CD2 LEU A 69 10.445 35.141 -1.400 1.00 0.00 C ATOM 0 H LEU A 69 10.641 35.385 -6.471 1.00 0.00 H new ATOM 0 HA LEU A 69 12.647 34.179 -4.678 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.789 33.592 -4.045 1.00 0.00 H new ATOM 0 HB3 LEU A 69 11.230 33.374 -3.073 1.00 0.00 H new ATOM 0 HG LEU A 69 11.096 36.075 -3.228 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.697 36.680 -2.618 1.00 0.00 H new ATOM 0 HD12 LEU A 69 8.824 36.028 -4.269 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.227 34.996 -2.948 1.00 0.00 H new ATOM 0 HD21 LEU A 69 10.175 36.070 -0.898 1.00 0.00 H new ATOM 0 HD22 LEU A 69 9.759 34.351 -1.094 1.00 0.00 H new ATOM 0 HD23 LEU A 69 11.463 34.863 -1.127 1.00 0.00 H new ATOM 1152 N THR A 70 11.566 31.830 -5.701 1.00 0.00 N ATOM 1153 CA THR A 70 11.395 30.714 -6.645 1.00 0.00 C ATOM 1154 C THR A 70 10.294 29.849 -6.017 1.00 0.00 C ATOM 1155 O THR A 70 10.034 29.878 -4.813 1.00 0.00 O ATOM 1156 CB THR A 70 12.677 29.839 -6.858 1.00 0.00 C ATOM 1157 OG1 THR A 70 13.578 29.814 -5.759 1.00 0.00 O ATOM 1158 CG2 THR A 70 13.540 30.316 -8.039 1.00 0.00 C ATOM 0 H THR A 70 11.912 31.556 -4.782 1.00 0.00 H new ATOM 0 HA THR A 70 11.160 31.107 -7.634 1.00 0.00 H new ATOM 0 HB THR A 70 12.241 28.854 -7.022 1.00 0.00 H new ATOM 0 HG1 THR A 70 13.090 29.583 -4.941 1.00 0.00 H new ATOM 0 HG21 THR A 70 14.413 29.671 -8.136 1.00 0.00 H new ATOM 0 HG22 THR A 70 12.955 30.275 -8.958 1.00 0.00 H new ATOM 0 HG23 THR A 70 13.865 31.341 -7.862 1.00 0.00 H new ATOM 1166 N LEU A 71 9.584 29.084 -6.844 1.00 0.00 N ATOM 1167 CA LEU A 71 8.424 28.279 -6.440 1.00 0.00 C ATOM 1168 C LEU A 71 8.388 27.070 -7.396 1.00 0.00 C ATOM 1169 O LEU A 71 8.820 27.156 -8.555 1.00 0.00 O ATOM 1170 CB LEU A 71 7.078 29.085 -6.459 1.00 0.00 C ATOM 1171 CG LEU A 71 5.890 28.457 -5.665 1.00 0.00 C ATOM 1172 CD1 LEU A 71 4.967 29.492 -5.011 1.00 0.00 C ATOM 1173 CD2 LEU A 71 5.029 27.440 -6.402 1.00 0.00 C ATOM 0 H LEU A 71 9.801 29.002 -7.837 1.00 0.00 H new ATOM 0 HA LEU A 71 8.528 27.961 -5.403 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.269 30.081 -6.060 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.768 29.211 -7.496 1.00 0.00 H new ATOM 0 HG LEU A 71 6.438 27.905 -4.902 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.166 28.980 -4.478 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.540 30.099 -4.310 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.538 30.134 -5.780 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.241 27.082 -5.739 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.581 27.909 -7.278 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.648 26.600 -6.717 1.00 0.00 H new ATOM 1185 N LYS A 72 7.876 25.937 -6.916 1.00 0.00 N ATOM 1186 CA LYS A 72 7.742 24.714 -7.701 1.00 0.00 C ATOM 1187 C LYS A 72 6.398 24.073 -7.326 1.00 0.00 C ATOM 1188 O LYS A 72 6.158 23.705 -6.176 1.00 0.00 O ATOM 1189 CB LYS A 72 8.917 23.716 -7.430 1.00 0.00 C ATOM 1190 CG LYS A 72 9.139 22.762 -8.625 1.00 0.00 C ATOM 1191 CD LYS A 72 10.367 23.193 -9.438 1.00 0.00 C ATOM 1192 CE LYS A 72 10.407 22.554 -10.833 1.00 0.00 C ATOM 1193 NZ LYS A 72 11.029 21.216 -10.822 1.00 0.00 N ATOM 0 H LYS A 72 7.539 25.843 -5.958 1.00 0.00 H new ATOM 0 HA LYS A 72 7.778 24.955 -8.763 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.832 24.275 -7.235 1.00 0.00 H new ATOM 0 HB3 LYS A 72 8.702 23.134 -6.534 1.00 0.00 H new ATOM 0 HG2 LYS A 72 9.275 21.743 -8.263 1.00 0.00 H new ATOM 0 HG3 LYS A 72 8.256 22.759 -9.264 1.00 0.00 H new ATOM 0 HD2 LYS A 72 10.368 24.278 -9.540 1.00 0.00 H new ATOM 0 HD3 LYS A 72 11.272 22.923 -8.893 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.392 22.477 -11.223 1.00 0.00 H new ATOM 0 HE3 LYS A 72 10.961 23.203 -11.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 11.032 20.827 -11.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 12.007 21.291 -10.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 10.487 20.586 -10.196 1.00 0.00 H new ATOM 1207 N VAL A 73 5.625 23.699 -8.357 1.00 0.00 N ATOM 1208 CA VAL A 73 4.247 23.179 -8.180 1.00 0.00 C ATOM 1209 C VAL A 73 4.286 21.795 -8.836 1.00 0.00 C ATOM 1210 O VAL A 73 4.870 21.581 -9.897 1.00 0.00 O ATOM 1211 CB VAL A 73 3.094 24.048 -8.809 1.00 0.00 C ATOM 1212 CG1 VAL A 73 3.513 25.350 -9.510 1.00 0.00 C ATOM 1213 CG2 VAL A 73 2.147 23.291 -9.771 1.00 0.00 C ATOM 0 H VAL A 73 5.927 23.745 -9.330 1.00 0.00 H new ATOM 0 HA VAL A 73 3.998 23.180 -7.119 1.00 0.00 H new ATOM 0 HB VAL A 73 2.564 24.310 -7.893 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.629 25.854 -9.899 1.00 0.00 H new ATOM 0 HG12 VAL A 73 4.018 26.001 -8.796 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.190 25.119 -10.332 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.389 23.977 -10.150 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.722 22.888 -10.605 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.662 22.474 -9.236 1.00 0.00 H new ATOM 1223 N VAL A 74 3.826 20.817 -8.049 1.00 0.00 N ATOM 1224 CA VAL A 74 3.781 19.379 -8.355 1.00 0.00 C ATOM 1225 C VAL A 74 2.552 18.754 -7.655 1.00 0.00 C ATOM 1226 O VAL A 74 2.161 19.269 -6.616 1.00 0.00 O ATOM 1227 CB VAL A 74 5.088 18.657 -7.912 1.00 0.00 C ATOM 1228 CG1 VAL A 74 5.147 17.180 -8.330 1.00 0.00 C ATOM 1229 CG2 VAL A 74 6.395 19.314 -8.410 1.00 0.00 C ATOM 0 H VAL A 74 3.451 21.019 -7.122 1.00 0.00 H new ATOM 0 HA VAL A 74 3.695 19.254 -9.434 1.00 0.00 H new ATOM 0 HB VAL A 74 5.032 18.747 -6.827 1.00 0.00 H new ATOM 0 HG11 VAL A 74 6.085 16.742 -7.988 1.00 0.00 H new ATOM 0 HG12 VAL A 74 4.311 16.642 -7.883 1.00 0.00 H new ATOM 0 HG13 VAL A 74 5.087 17.107 -9.416 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.250 18.741 -8.051 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.401 19.331 -9.500 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.457 20.334 -8.031 1.00 0.00 H new ATOM 1239 N LYS A 75 2.065 17.610 -8.170 1.00 0.00 N ATOM 1240 CA LYS A 75 0.914 16.821 -7.674 1.00 0.00 C ATOM 1241 C LYS A 75 -0.441 17.520 -7.761 1.00 0.00 C ATOM 1242 O LYS A 75 -0.681 18.424 -6.943 1.00 0.00 O ATOM 1243 CB LYS A 75 1.201 16.221 -6.281 1.00 0.00 C ATOM 1244 CG LYS A 75 1.657 14.762 -6.376 1.00 0.00 C ATOM 1245 CD LYS A 75 0.459 13.822 -6.619 1.00 0.00 C ATOM 1246 CE LYS A 75 0.899 12.516 -7.280 1.00 0.00 C ATOM 1247 NZ LYS A 75 0.314 12.379 -8.638 1.00 0.00 N ATOM 0 H LYS A 75 2.488 17.183 -8.994 1.00 0.00 H new ATOM 0 HA LYS A 75 0.810 15.994 -8.376 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.970 16.811 -5.782 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.303 16.282 -5.666 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.378 14.655 -7.187 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.167 14.476 -5.456 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -0.032 13.604 -5.671 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.275 14.322 -7.251 1.00 0.00 H new ATOM 0 HE2 LYS A 75 1.987 12.486 -7.345 1.00 0.00 H new ATOM 0 HE3 LYS A 75 0.593 11.671 -6.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 0.629 11.484 -9.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -0.724 12.384 -8.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.626 13.173 -9.232 1.00 0.00 H new TER 1261 LYS A 75