USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 573 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 29 HIS : no HD1:sc= -0.494 K(o=-0.49,f=-1.4) USER MOD Set 1.2: A 39 GLN : amide:sc= 0 X(o=-0.49,f=-0.5) USER MOD Set 1.3: A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LEU N :NH3+ -173:sc= 0.201 (180deg=0.128) USER MOD Single : A 2 CYS SG : rot 180:sc= -0.215 USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 SER OG : rot -130:sc= 0 USER MOD Single : A 13 MET CE :methyl 175:sc= -0.081 (180deg=-0.149) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.0182 K(o=-0.018,f=-1.1) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 50:sc= 0.881 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 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 HD1:sc= -0.414 X(o=-0.41,f=-0.69) USER MOD Single : A 70 THR OG1 : rot -30:sc= 0.671 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 2.012 44.926 0.371 1.00 0.00 N ATOM 2 CA LEU A 1 2.830 45.032 -0.878 1.00 0.00 C ATOM 3 C LEU A 1 2.468 43.872 -1.799 1.00 0.00 C ATOM 4 O LEU A 1 1.472 43.227 -1.555 1.00 0.00 O ATOM 5 CB LEU A 1 4.347 45.085 -0.579 1.00 0.00 C ATOM 6 CG LEU A 1 4.748 46.089 0.511 1.00 0.00 C ATOM 7 CD1 LEU A 1 6.246 46.004 0.779 1.00 0.00 C ATOM 8 CD2 LEU A 1 4.374 47.502 0.114 1.00 0.00 C ATOM 0 H1 LEU A 1 2.160 45.773 0.956 1.00 0.00 H new ATOM 0 H2 LEU A 1 1.005 44.850 0.121 1.00 0.00 H new ATOM 0 H3 LEU A 1 2.301 44.081 0.905 1.00 0.00 H new ATOM 0 HA LEU A 1 2.598 45.973 -1.378 1.00 0.00 H new ATOM 0 HB2 LEU A 1 4.680 44.091 -0.280 1.00 0.00 H new ATOM 0 HB3 LEU A 1 4.877 45.335 -1.498 1.00 0.00 H new ATOM 0 HG LEU A 1 4.205 45.834 1.421 1.00 0.00 H new ATOM 0 HD11 LEU A 1 6.518 46.721 1.554 1.00 0.00 H new ATOM 0 HD12 LEU A 1 6.500 44.997 1.111 1.00 0.00 H new ATOM 0 HD13 LEU A 1 6.793 46.233 -0.136 1.00 0.00 H new ATOM 0 HD21 LEU A 1 4.669 48.192 0.904 1.00 0.00 H new ATOM 0 HD22 LEU A 1 4.887 47.768 -0.811 1.00 0.00 H new ATOM 0 HD23 LEU A 1 3.296 47.564 -0.038 1.00 0.00 H new ATOM 22 N CYS A 2 3.359 43.438 -2.694 1.00 0.00 N ATOM 23 CA CYS A 2 3.139 42.289 -3.564 1.00 0.00 C ATOM 24 C CYS A 2 4.482 41.566 -3.732 1.00 0.00 C ATOM 25 O CYS A 2 5.557 42.183 -3.667 1.00 0.00 O ATOM 26 CB CYS A 2 2.544 42.693 -4.940 1.00 0.00 C ATOM 27 SG CYS A 2 3.530 43.937 -5.819 1.00 0.00 S ATOM 0 H CYS A 2 4.266 43.884 -2.834 1.00 0.00 H new ATOM 0 HA CYS A 2 2.403 41.628 -3.107 1.00 0.00 H new ATOM 0 HB2 CYS A 2 2.456 41.804 -5.564 1.00 0.00 H new ATOM 0 HB3 CYS A 2 1.536 43.079 -4.791 1.00 0.00 H new ATOM 0 HG CYS A 2 2.965 44.215 -6.956 1.00 0.00 H new ATOM 33 N VAL A 3 4.412 40.260 -3.954 1.00 0.00 N ATOM 34 CA VAL A 3 5.595 39.387 -3.983 1.00 0.00 C ATOM 35 C VAL A 3 5.402 38.500 -5.191 1.00 0.00 C ATOM 36 O VAL A 3 4.300 38.067 -5.495 1.00 0.00 O ATOM 37 CB VAL A 3 5.815 38.488 -2.711 1.00 0.00 C ATOM 38 CG1 VAL A 3 5.637 39.230 -1.384 1.00 0.00 C ATOM 39 CG2 VAL A 3 4.986 37.211 -2.573 1.00 0.00 C ATOM 0 H VAL A 3 3.534 39.768 -4.120 1.00 0.00 H new ATOM 0 HA VAL A 3 6.482 40.019 -4.015 1.00 0.00 H new ATOM 0 HB VAL A 3 6.849 38.202 -2.903 1.00 0.00 H new ATOM 0 HG11 VAL A 3 5.805 38.541 -0.556 1.00 0.00 H new ATOM 0 HG12 VAL A 3 6.354 40.049 -1.326 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.625 39.629 -1.323 1.00 0.00 H new ATOM 0 HG21 VAL A 3 5.252 36.703 -1.646 1.00 0.00 H new ATOM 0 HG22 VAL A 3 3.926 37.465 -2.556 1.00 0.00 H new ATOM 0 HG23 VAL A 3 5.188 36.553 -3.418 1.00 0.00 H new ATOM 49 N HIS A 4 6.506 38.088 -5.786 1.00 0.00 N ATOM 50 CA HIS A 4 6.497 37.550 -7.141 1.00 0.00 C ATOM 51 C HIS A 4 7.198 36.217 -6.974 1.00 0.00 C ATOM 52 O HIS A 4 8.131 36.066 -6.176 1.00 0.00 O ATOM 53 CB HIS A 4 7.384 38.360 -8.114 1.00 0.00 C ATOM 54 CG HIS A 4 7.043 39.819 -8.280 1.00 0.00 C ATOM 55 ND1 HIS A 4 5.823 40.308 -8.735 1.00 0.00 N ATOM 56 CD2 HIS A 4 7.868 40.872 -8.010 1.00 0.00 C ATOM 57 CE1 HIS A 4 5.925 41.644 -8.732 1.00 0.00 C ATOM 58 NE2 HIS A 4 7.144 42.007 -8.289 1.00 0.00 N ATOM 0 H HIS A 4 7.428 38.115 -5.352 1.00 0.00 H new ATOM 0 HA HIS A 4 5.483 37.537 -7.540 1.00 0.00 H new ATOM 0 HB2 HIS A 4 8.417 38.288 -7.774 1.00 0.00 H new ATOM 0 HB3 HIS A 4 7.337 37.885 -9.094 1.00 0.00 H new ATOM 0 HD2 HIS A 4 8.885 40.824 -7.650 1.00 0.00 H new ATOM 0 HE1 HIS A 4 5.147 42.327 -9.039 1.00 0.00 H new ATOM 0 HE2 HIS A 4 7.475 42.965 -8.179 1.00 0.00 H new ATOM 66 N VAL A 5 6.861 35.276 -7.832 1.00 0.00 N ATOM 67 CA VAL A 5 7.226 33.876 -7.616 1.00 0.00 C ATOM 68 C VAL A 5 7.630 33.350 -8.981 1.00 0.00 C ATOM 69 O VAL A 5 7.113 33.726 -10.027 1.00 0.00 O ATOM 70 CB VAL A 5 6.085 33.016 -6.973 1.00 0.00 C ATOM 71 CG1 VAL A 5 6.034 33.256 -5.451 1.00 0.00 C ATOM 72 CG2 VAL A 5 4.651 33.160 -7.491 1.00 0.00 C ATOM 0 H VAL A 5 6.334 35.448 -8.689 1.00 0.00 H new ATOM 0 HA VAL A 5 8.037 33.806 -6.891 1.00 0.00 H new ATOM 0 HB VAL A 5 6.388 32.013 -7.273 1.00 0.00 H new ATOM 0 HG11 VAL A 5 5.238 32.654 -5.014 1.00 0.00 H new ATOM 0 HG12 VAL A 5 6.988 32.974 -5.006 1.00 0.00 H new ATOM 0 HG13 VAL A 5 5.840 34.311 -5.255 1.00 0.00 H new ATOM 0 HG21 VAL A 5 3.994 32.492 -6.934 1.00 0.00 H new ATOM 0 HG22 VAL A 5 4.318 34.190 -7.359 1.00 0.00 H new ATOM 0 HG23 VAL A 5 4.619 32.901 -8.549 1.00 0.00 H new ATOM 82 N ARG A 6 8.643 32.488 -8.970 1.00 0.00 N ATOM 83 CA ARG A 6 9.362 32.029 -10.174 1.00 0.00 C ATOM 84 C ARG A 6 8.852 30.602 -10.387 1.00 0.00 C ATOM 85 O ARG A 6 8.048 30.119 -9.612 1.00 0.00 O ATOM 86 CB ARG A 6 10.886 31.891 -9.926 1.00 0.00 C ATOM 87 CG ARG A 6 11.697 33.187 -9.725 1.00 0.00 C ATOM 88 CD ARG A 6 12.286 33.760 -11.030 1.00 0.00 C ATOM 89 NE ARG A 6 13.753 33.949 -10.939 1.00 0.00 N ATOM 90 CZ ARG A 6 14.548 34.444 -11.874 1.00 0.00 C ATOM 91 NH1 ARG A 6 14.093 34.847 -13.030 1.00 0.00 N ATOM 92 NH2 ARG A 6 15.827 34.535 -11.664 1.00 0.00 N ATOM 0 H ARG A 6 9.001 32.075 -8.109 1.00 0.00 H new ATOM 0 HA ARG A 6 9.202 32.727 -10.996 1.00 0.00 H new ATOM 0 HB2 ARG A 6 11.028 31.266 -9.044 1.00 0.00 H new ATOM 0 HB3 ARG A 6 11.316 31.353 -10.771 1.00 0.00 H new ATOM 0 HG2 ARG A 6 11.055 33.939 -9.266 1.00 0.00 H new ATOM 0 HG3 ARG A 6 12.510 32.991 -9.025 1.00 0.00 H new ATOM 0 HD2 ARG A 6 12.057 33.088 -11.857 1.00 0.00 H new ATOM 0 HD3 ARG A 6 11.810 34.715 -11.254 1.00 0.00 H new ATOM 0 HE ARG A 6 14.196 33.668 -10.064 1.00 0.00 H new ATOM 0 HH11 ARG A 6 13.096 34.785 -13.235 1.00 0.00 H new ATOM 0 HH12 ARG A 6 14.735 35.223 -13.728 1.00 0.00 H new ATOM 0 HH21 ARG A 6 16.221 34.224 -10.776 1.00 0.00 H new ATOM 0 HH22 ARG A 6 16.437 34.917 -12.387 1.00 0.00 H new ATOM 106 N SER A 7 8.976 30.094 -11.602 1.00 0.00 N ATOM 107 CA SER A 7 8.571 28.721 -11.935 1.00 0.00 C ATOM 108 C SER A 7 7.334 28.825 -12.843 1.00 0.00 C ATOM 109 O SER A 7 6.888 29.921 -13.163 1.00 0.00 O ATOM 110 CB SER A 7 8.619 27.655 -10.825 1.00 0.00 C ATOM 111 OG SER A 7 8.880 26.359 -11.357 1.00 0.00 O ATOM 0 H SER A 7 9.359 30.614 -12.391 1.00 0.00 H new ATOM 0 HA SER A 7 9.361 28.229 -12.502 1.00 0.00 H new ATOM 0 HB2 SER A 7 9.392 27.915 -10.102 1.00 0.00 H new ATOM 0 HB3 SER A 7 7.671 27.645 -10.288 1.00 0.00 H new ATOM 0 HG SER A 7 8.223 25.723 -11.005 1.00 0.00 H new ATOM 117 N GLU A 8 6.539 27.757 -12.833 1.00 0.00 N ATOM 118 CA GLU A 8 5.199 27.815 -13.412 1.00 0.00 C ATOM 119 C GLU A 8 4.257 27.948 -12.210 1.00 0.00 C ATOM 120 O GLU A 8 3.841 26.988 -11.559 1.00 0.00 O ATOM 121 CB GLU A 8 4.858 26.512 -14.184 1.00 0.00 C ATOM 122 CG GLU A 8 5.609 26.383 -15.516 1.00 0.00 C ATOM 123 CD GLU A 8 4.900 25.418 -16.504 1.00 0.00 C ATOM 124 OE1 GLU A 8 4.995 24.177 -16.356 1.00 0.00 O ATOM 125 OE2 GLU A 8 4.241 25.904 -17.459 1.00 0.00 O ATOM 0 H GLU A 8 6.795 26.853 -12.436 1.00 0.00 H new ATOM 0 HA GLU A 8 5.113 28.638 -14.122 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.095 25.653 -13.556 1.00 0.00 H new ATOM 0 HB3 GLU A 8 3.785 26.481 -14.375 1.00 0.00 H new ATOM 0 HG2 GLU A 8 5.700 27.367 -15.976 1.00 0.00 H new ATOM 0 HG3 GLU A 8 6.621 26.025 -15.326 1.00 0.00 H new ATOM 132 N GLU A 9 3.822 29.200 -12.058 1.00 0.00 N ATOM 133 CA GLU A 9 2.882 29.656 -11.043 1.00 0.00 C ATOM 134 C GLU A 9 1.599 29.952 -11.830 1.00 0.00 C ATOM 135 O GLU A 9 1.612 30.303 -13.007 1.00 0.00 O ATOM 136 CB GLU A 9 3.393 30.937 -10.301 1.00 0.00 C ATOM 137 CG GLU A 9 3.729 32.195 -11.150 1.00 0.00 C ATOM 138 CD GLU A 9 2.788 33.380 -10.858 1.00 0.00 C ATOM 139 OE1 GLU A 9 1.586 33.255 -11.169 1.00 0.00 O ATOM 140 OE2 GLU A 9 3.279 34.393 -10.289 1.00 0.00 O ATOM 0 H GLU A 9 4.132 29.955 -12.669 1.00 0.00 H new ATOM 0 HA GLU A 9 2.738 28.913 -10.259 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.637 31.222 -9.570 1.00 0.00 H new ATOM 0 HB3 GLU A 9 4.289 30.663 -9.743 1.00 0.00 H new ATOM 0 HG2 GLU A 9 4.758 32.497 -10.953 1.00 0.00 H new ATOM 0 HG3 GLU A 9 3.668 31.941 -12.208 1.00 0.00 H new ATOM 147 N TRP A 10 0.461 29.713 -11.171 1.00 0.00 N ATOM 148 CA TRP A 10 -0.861 29.740 -11.810 1.00 0.00 C ATOM 149 C TRP A 10 -1.641 30.931 -11.239 1.00 0.00 C ATOM 150 O TRP A 10 -2.581 31.403 -11.874 1.00 0.00 O ATOM 151 CB TRP A 10 -1.689 28.481 -11.492 1.00 0.00 C ATOM 152 CG TRP A 10 -1.142 27.123 -11.805 1.00 0.00 C ATOM 153 CD1 TRP A 10 -0.281 26.833 -12.798 1.00 0.00 C ATOM 154 CD2 TRP A 10 -1.429 25.854 -11.137 1.00 0.00 C ATOM 155 NE1 TRP A 10 0.006 25.469 -12.781 1.00 0.00 N ATOM 156 CE2 TRP A 10 -0.688 24.826 -11.777 1.00 0.00 C ATOM 157 CE3 TRP A 10 -2.235 25.478 -10.030 1.00 0.00 C ATOM 158 CZ2 TRP A 10 -0.730 23.482 -11.349 1.00 0.00 C ATOM 159 CZ3 TRP A 10 -2.286 24.144 -9.592 1.00 0.00 C ATOM 160 CH2 TRP A 10 -1.534 23.146 -10.252 1.00 0.00 C ATOM 0 H TRP A 10 0.429 29.494 -10.175 1.00 0.00 H new ATOM 0 HA TRP A 10 -0.706 29.803 -12.887 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -1.913 28.502 -10.425 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -2.638 28.577 -12.019 1.00 0.00 H new ATOM 0 HD1 TRP A 10 0.125 27.547 -13.500 1.00 0.00 H new ATOM 0 HE1 TRP A 10 0.646 25.007 -13.427 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -2.818 26.229 -9.517 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -0.152 22.725 -11.859 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -2.903 23.880 -8.746 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -1.579 22.123 -9.910 1.00 0.00 H new ATOM 171 N ASP A 11 -1.205 31.422 -10.084 1.00 0.00 N ATOM 172 CA ASP A 11 -1.693 32.612 -9.423 1.00 0.00 C ATOM 173 C ASP A 11 -0.502 33.316 -8.767 1.00 0.00 C ATOM 174 O ASP A 11 0.397 32.667 -8.203 1.00 0.00 O ATOM 175 CB ASP A 11 -2.713 32.201 -8.336 1.00 0.00 C ATOM 176 CG ASP A 11 -3.524 33.374 -7.755 1.00 0.00 C ATOM 177 OD1 ASP A 11 -3.560 34.455 -8.365 1.00 0.00 O ATOM 178 OD2 ASP A 11 -4.160 33.137 -6.677 1.00 0.00 O ATOM 0 H ASP A 11 -0.457 30.968 -9.559 1.00 0.00 H new ATOM 0 HA ASP A 11 -2.176 33.279 -10.138 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -3.403 31.471 -8.759 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -2.182 31.704 -7.524 1.00 0.00 H new ATOM 183 N LEU A 12 -0.632 34.626 -8.625 1.00 0.00 N ATOM 184 CA LEU A 12 0.448 35.450 -8.117 1.00 0.00 C ATOM 185 C LEU A 12 0.271 35.478 -6.597 1.00 0.00 C ATOM 186 O LEU A 12 -0.738 35.070 -6.010 1.00 0.00 O ATOM 187 CB LEU A 12 0.337 36.906 -8.684 1.00 0.00 C ATOM 188 CG LEU A 12 -1.005 37.648 -8.436 1.00 0.00 C ATOM 189 CD1 LEU A 12 -0.789 39.030 -7.803 1.00 0.00 C ATOM 190 CD2 LEU A 12 -1.796 37.834 -9.724 1.00 0.00 C ATOM 0 H LEU A 12 -1.481 35.142 -8.857 1.00 0.00 H new ATOM 0 HA LEU A 12 1.420 35.054 -8.410 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.141 37.502 -8.252 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.511 36.867 -9.759 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.568 37.017 -7.748 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.753 39.514 -7.647 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.281 38.916 -6.845 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.179 39.643 -8.467 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.727 38.357 -9.507 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.208 38.419 -10.431 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.020 36.859 -10.158 1.00 0.00 H new ATOM 202 N MET A 13 1.188 36.120 -5.901 1.00 0.00 N ATOM 203 CA MET A 13 1.200 36.125 -4.451 1.00 0.00 C ATOM 204 C MET A 13 1.282 37.600 -4.057 1.00 0.00 C ATOM 205 O MET A 13 1.485 38.515 -4.849 1.00 0.00 O ATOM 206 CB MET A 13 2.412 35.365 -3.869 1.00 0.00 C ATOM 207 CG MET A 13 2.287 33.840 -3.903 1.00 0.00 C ATOM 208 SD MET A 13 3.052 32.992 -2.482 1.00 0.00 S ATOM 209 CE MET A 13 2.123 31.443 -2.566 1.00 0.00 C ATOM 0 H MET A 13 1.947 36.654 -6.325 1.00 0.00 H new ATOM 0 HA MET A 13 0.314 35.624 -4.061 1.00 0.00 H new ATOM 0 HB2 MET A 13 3.305 35.655 -4.422 1.00 0.00 H new ATOM 0 HB3 MET A 13 2.560 35.681 -2.836 1.00 0.00 H new ATOM 0 HG2 MET A 13 1.231 33.575 -3.944 1.00 0.00 H new ATOM 0 HG3 MET A 13 2.744 33.470 -4.821 1.00 0.00 H new ATOM 0 HE1 MET A 13 2.511 30.746 -1.823 1.00 0.00 H new ATOM 0 HE2 MET A 13 1.070 31.639 -2.365 1.00 0.00 H new ATOM 0 HE3 MET A 13 2.228 31.009 -3.561 1.00 0.00 H new ATOM 219 N THR A 14 1.141 37.858 -2.765 1.00 0.00 N ATOM 220 CA THR A 14 0.975 39.218 -2.272 1.00 0.00 C ATOM 221 C THR A 14 1.528 39.227 -0.862 1.00 0.00 C ATOM 222 O THR A 14 1.528 38.198 -0.182 1.00 0.00 O ATOM 223 CB THR A 14 -0.494 39.721 -2.336 1.00 0.00 C ATOM 224 OG1 THR A 14 -0.500 41.091 -2.034 1.00 0.00 O ATOM 225 CG2 THR A 14 -1.511 39.060 -1.392 1.00 0.00 C ATOM 0 H THR A 14 1.138 37.143 -2.038 1.00 0.00 H new ATOM 0 HA THR A 14 1.515 39.918 -2.910 1.00 0.00 H new ATOM 0 HB THR A 14 -0.818 39.463 -3.344 1.00 0.00 H new ATOM 0 HG1 THR A 14 -1.419 41.430 -2.070 1.00 0.00 H new ATOM 0 HG21 THR A 14 -2.493 39.508 -1.544 1.00 0.00 H new ATOM 0 HG22 THR A 14 -1.563 37.992 -1.603 1.00 0.00 H new ATOM 0 HG23 THR A 14 -1.200 39.211 -0.358 1.00 0.00 H new ATOM 233 N PHE A 15 1.960 40.395 -0.381 1.00 0.00 N ATOM 234 CA PHE A 15 2.689 40.474 0.879 1.00 0.00 C ATOM 235 C PHE A 15 1.653 41.138 1.766 1.00 0.00 C ATOM 236 O PHE A 15 1.395 42.340 1.677 1.00 0.00 O ATOM 237 CB PHE A 15 3.926 41.411 0.867 1.00 0.00 C ATOM 238 CG PHE A 15 4.604 41.623 2.229 1.00 0.00 C ATOM 239 CD1 PHE A 15 4.900 40.532 3.069 1.00 0.00 C ATOM 240 CD2 PHE A 15 4.924 42.919 2.681 1.00 0.00 C ATOM 241 CE1 PHE A 15 5.477 40.731 4.340 1.00 0.00 C ATOM 242 CE2 PHE A 15 5.521 43.127 3.943 1.00 0.00 C ATOM 243 CZ PHE A 15 5.797 42.028 4.772 1.00 0.00 C ATOM 0 H PHE A 15 1.817 41.292 -0.845 1.00 0.00 H new ATOM 0 HA PHE A 15 3.072 39.494 1.164 1.00 0.00 H new ATOM 0 HB2 PHE A 15 4.662 41.005 0.173 1.00 0.00 H new ATOM 0 HB3 PHE A 15 3.622 42.382 0.476 1.00 0.00 H new ATOM 0 HD1 PHE A 15 4.682 39.528 2.735 1.00 0.00 H new ATOM 0 HD2 PHE A 15 4.708 43.769 2.050 1.00 0.00 H new ATOM 0 HE1 PHE A 15 5.673 39.885 4.982 1.00 0.00 H new ATOM 0 HE2 PHE A 15 5.764 44.127 4.270 1.00 0.00 H new ATOM 0 HZ PHE A 15 6.254 42.180 5.739 1.00 0.00 H new ATOM 253 N ASP A 16 1.154 40.282 2.648 1.00 0.00 N ATOM 254 CA ASP A 16 0.030 40.542 3.521 1.00 0.00 C ATOM 255 C ASP A 16 0.008 39.471 4.611 1.00 0.00 C ATOM 256 O ASP A 16 0.584 38.380 4.481 1.00 0.00 O ATOM 257 CB ASP A 16 -1.327 40.492 2.751 1.00 0.00 C ATOM 258 CG ASP A 16 -2.089 41.806 2.884 1.00 0.00 C ATOM 259 OD1 ASP A 16 -2.006 42.412 3.950 1.00 0.00 O ATOM 260 OD2 ASP A 16 -2.757 42.173 1.868 1.00 0.00 O ATOM 0 H ASP A 16 1.543 39.348 2.776 1.00 0.00 H new ATOM 0 HA ASP A 16 0.147 41.541 3.941 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.142 40.282 1.698 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.937 39.675 3.137 1.00 0.00 H new ATOM 265 N ALA A 17 -0.755 39.734 5.664 1.00 0.00 N ATOM 266 CA ALA A 17 -0.736 38.969 6.907 1.00 0.00 C ATOM 267 C ALA A 17 -2.034 39.312 7.631 1.00 0.00 C ATOM 268 O ALA A 17 -2.426 40.460 7.792 1.00 0.00 O ATOM 269 CB ALA A 17 0.454 39.350 7.820 1.00 0.00 C ATOM 0 H ALA A 17 -1.422 40.505 5.679 1.00 0.00 H new ATOM 0 HA ALA A 17 -0.635 37.908 6.680 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.420 38.752 8.730 1.00 0.00 H new ATOM 0 HB2 ALA A 17 1.390 39.160 7.295 1.00 0.00 H new ATOM 0 HB3 ALA A 17 0.391 40.407 8.078 1.00 0.00 H new ATOM 275 N ASN A 18 -2.668 38.258 8.161 1.00 0.00 N ATOM 276 CA ASN A 18 -4.015 38.336 8.713 1.00 0.00 C ATOM 277 C ASN A 18 -3.820 38.519 10.235 1.00 0.00 C ATOM 278 O ASN A 18 -2.749 38.189 10.761 1.00 0.00 O ATOM 279 CB ASN A 18 -4.768 37.007 8.451 1.00 0.00 C ATOM 280 CG ASN A 18 -5.585 36.955 7.171 1.00 0.00 C ATOM 281 OD1 ASN A 18 -5.909 37.945 6.550 1.00 0.00 O ATOM 282 ND2 ASN A 18 -6.017 35.785 6.760 1.00 0.00 N ATOM 0 H ASN A 18 -2.255 37.327 8.216 1.00 0.00 H new ATOM 0 HA ASN A 18 -4.592 39.146 8.266 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.040 36.196 8.429 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.433 36.815 9.293 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -6.612 35.723 5.934 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -5.757 34.939 7.267 1.00 0.00 H new ATOM 289 N PRO A 19 -4.824 39.072 10.930 1.00 0.00 N ATOM 290 CA PRO A 19 -4.758 39.415 12.364 1.00 0.00 C ATOM 291 C PRO A 19 -4.814 38.158 13.252 1.00 0.00 C ATOM 292 O PRO A 19 -5.836 37.862 13.860 1.00 0.00 O ATOM 293 CB PRO A 19 -5.924 40.386 12.573 1.00 0.00 C ATOM 294 CG PRO A 19 -6.969 39.926 11.550 1.00 0.00 C ATOM 295 CD PRO A 19 -6.096 39.526 10.365 1.00 0.00 C ATOM 0 HA PRO A 19 -3.815 39.879 12.653 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.310 40.334 13.591 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -5.621 41.419 12.399 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -7.562 39.090 11.920 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -7.667 40.723 11.293 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -6.568 38.734 9.783 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -5.944 40.369 9.691 1.00 0.00 H new ATOM 303 N TYR A 20 -3.875 37.233 13.043 1.00 0.00 N ATOM 304 CA TYR A 20 -3.535 36.188 13.993 1.00 0.00 C ATOM 305 C TYR A 20 -2.055 36.133 14.391 1.00 0.00 C ATOM 306 O TYR A 20 -1.616 36.816 15.318 1.00 0.00 O ATOM 307 CB TYR A 20 -4.095 34.910 13.361 1.00 0.00 C ATOM 308 CG TYR A 20 -3.921 33.627 14.139 1.00 0.00 C ATOM 309 CD1 TYR A 20 -4.856 33.281 15.126 1.00 0.00 C ATOM 310 CD2 TYR A 20 -2.838 32.773 13.880 1.00 0.00 C ATOM 311 CE1 TYR A 20 -4.707 32.082 15.855 1.00 0.00 C ATOM 312 CE2 TYR A 20 -2.658 31.591 14.619 1.00 0.00 C ATOM 313 CZ TYR A 20 -3.603 31.236 15.596 1.00 0.00 C ATOM 314 OH TYR A 20 -3.474 30.048 16.255 1.00 0.00 O ATOM 0 H TYR A 20 -3.321 37.194 12.187 1.00 0.00 H new ATOM 0 HA TYR A 20 -3.978 36.371 14.972 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -5.161 35.058 13.185 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.626 34.781 12.386 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -5.692 33.934 15.328 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -2.133 33.027 13.102 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -5.433 31.811 16.608 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -1.800 30.961 14.437 1.00 0.00 H new ATOM 0 HH TYR A 20 -2.659 29.594 15.954 1.00 0.00 H new ATOM 324 N ASP A 21 -1.292 35.285 13.693 1.00 0.00 N ATOM 325 CA ASP A 21 0.161 35.275 13.682 1.00 0.00 C ATOM 326 C ASP A 21 0.792 35.004 12.289 1.00 0.00 C ATOM 327 O ASP A 21 0.111 34.438 11.414 1.00 0.00 O ATOM 328 CB ASP A 21 0.408 34.186 14.772 1.00 0.00 C ATOM 329 CG ASP A 21 1.624 34.515 15.614 1.00 0.00 C ATOM 330 OD1 ASP A 21 2.595 34.935 15.068 1.00 0.00 O ATOM 331 OD2 ASP A 21 1.523 34.179 16.871 1.00 0.00 O ATOM 0 H ASP A 21 -1.694 34.560 13.098 1.00 0.00 H new ATOM 0 HA ASP A 21 0.642 36.230 13.893 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -0.470 34.105 15.413 1.00 0.00 H new ATOM 0 HB3 ASP A 21 0.545 33.216 14.295 1.00 0.00 H new ATOM 336 N SER A 22 2.070 34.636 12.305 1.00 0.00 N ATOM 337 CA SER A 22 2.898 34.168 11.170 1.00 0.00 C ATOM 338 C SER A 22 3.320 32.714 11.406 1.00 0.00 C ATOM 339 O SER A 22 3.650 31.998 10.449 1.00 0.00 O ATOM 340 CB SER A 22 4.103 35.071 10.868 1.00 0.00 C ATOM 341 OG SER A 22 4.989 35.120 11.968 1.00 0.00 O ATOM 0 H SER A 22 2.606 34.654 13.173 1.00 0.00 H new ATOM 0 HA SER A 22 2.279 34.224 10.275 1.00 0.00 H new ATOM 0 HB2 SER A 22 4.629 34.699 9.989 1.00 0.00 H new ATOM 0 HB3 SER A 22 3.757 36.077 10.630 1.00 0.00 H new ATOM 0 HG SER A 22 5.749 35.700 11.751 1.00 0.00 H new ATOM 347 N VAL A 23 3.147 32.223 12.632 1.00 0.00 N ATOM 348 CA VAL A 23 3.402 30.828 13.009 1.00 0.00 C ATOM 349 C VAL A 23 2.297 29.917 12.441 1.00 0.00 C ATOM 350 O VAL A 23 2.545 28.730 12.219 1.00 0.00 O ATOM 351 CB VAL A 23 3.597 30.570 14.506 1.00 0.00 C ATOM 352 CG1 VAL A 23 4.894 31.208 15.021 1.00 0.00 C ATOM 353 CG2 VAL A 23 2.406 31.015 15.361 1.00 0.00 C ATOM 0 H VAL A 23 2.818 32.794 13.410 1.00 0.00 H new ATOM 0 HA VAL A 23 4.367 30.587 12.564 1.00 0.00 H new ATOM 0 HB VAL A 23 3.671 29.487 14.610 1.00 0.00 H new ATOM 0 HG11 VAL A 23 5.001 31.006 16.087 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.744 30.787 14.485 1.00 0.00 H new ATOM 0 HG13 VAL A 23 4.859 32.285 14.858 1.00 0.00 H new ATOM 0 HG21 VAL A 23 2.612 30.803 16.410 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.245 32.085 15.232 1.00 0.00 H new ATOM 0 HG23 VAL A 23 1.512 30.474 15.050 1.00 0.00 H new ATOM 363 N LEU A 24 1.141 30.472 12.046 1.00 0.00 N ATOM 364 CA LEU A 24 0.025 29.692 11.480 1.00 0.00 C ATOM 365 C LEU A 24 0.443 29.094 10.134 1.00 0.00 C ATOM 366 O LEU A 24 -0.003 28.005 9.794 1.00 0.00 O ATOM 367 CB LEU A 24 -1.250 30.543 11.328 1.00 0.00 C ATOM 368 CG LEU A 24 -2.530 29.721 11.041 1.00 0.00 C ATOM 369 CD1 LEU A 24 -2.897 28.744 12.172 1.00 0.00 C ATOM 370 CD2 LEU A 24 -3.708 30.667 10.821 1.00 0.00 C ATOM 0 H LEU A 24 0.952 31.472 12.109 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.211 28.885 12.174 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.399 31.120 12.241 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.102 31.258 10.519 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.320 29.129 10.150 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.804 28.201 11.904 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.081 28.037 12.321 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.067 29.301 13.093 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.608 30.086 10.619 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.860 31.273 11.714 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.498 31.318 9.972 1.00 0.00 H new ATOM 382 N LYS A 25 1.349 29.741 9.379 1.00 0.00 N ATOM 383 CA LYS A 25 1.816 29.270 8.065 1.00 0.00 C ATOM 384 C LYS A 25 2.745 28.062 8.203 1.00 0.00 C ATOM 385 O LYS A 25 2.578 27.098 7.464 1.00 0.00 O ATOM 386 CB LYS A 25 2.564 30.398 7.345 1.00 0.00 C ATOM 387 CG LYS A 25 1.804 31.023 6.161 1.00 0.00 C ATOM 388 CD LYS A 25 1.451 29.995 5.061 1.00 0.00 C ATOM 389 CE LYS A 25 -0.065 29.810 4.911 1.00 0.00 C ATOM 390 NZ LYS A 25 -0.688 30.971 4.232 1.00 0.00 N ATOM 0 H LYS A 25 1.782 30.617 9.669 1.00 0.00 H new ATOM 0 HA LYS A 25 0.941 28.970 7.488 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.792 31.182 8.067 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.516 30.011 6.983 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.887 31.484 6.528 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.409 31.819 5.727 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.872 30.323 4.110 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.911 29.036 5.300 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -0.268 28.902 4.342 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.516 29.677 5.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.713 30.814 4.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -0.515 31.832 4.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.274 31.082 3.284 1.00 0.00 H new ATOM 404 N ILE A 26 3.700 28.078 9.132 1.00 0.00 N ATOM 405 CA ILE A 26 4.656 26.968 9.322 1.00 0.00 C ATOM 406 C ILE A 26 3.895 25.801 9.981 1.00 0.00 C ATOM 407 O ILE A 26 4.067 24.660 9.550 1.00 0.00 O ATOM 408 CB ILE A 26 5.929 27.384 10.115 1.00 0.00 C ATOM 409 CG1 ILE A 26 6.805 26.138 10.393 1.00 0.00 C ATOM 410 CG2 ILE A 26 5.623 28.165 11.402 1.00 0.00 C ATOM 411 CD1 ILE A 26 8.159 26.430 11.055 1.00 0.00 C ATOM 0 H ILE A 26 3.840 28.856 9.777 1.00 0.00 H new ATOM 0 HA ILE A 26 5.043 26.654 8.353 1.00 0.00 H new ATOM 0 HB ILE A 26 6.486 28.080 9.488 1.00 0.00 H new ATOM 0 HG12 ILE A 26 6.245 25.455 11.032 1.00 0.00 H new ATOM 0 HG13 ILE A 26 6.983 25.620 9.451 1.00 0.00 H new ATOM 0 HG21 ILE A 26 6.557 28.422 11.903 1.00 0.00 H new ATOM 0 HG22 ILE A 26 5.082 29.078 11.154 1.00 0.00 H new ATOM 0 HG23 ILE A 26 5.013 27.550 12.064 1.00 0.00 H new ATOM 0 HD11 ILE A 26 8.698 25.495 11.209 1.00 0.00 H new ATOM 0 HD12 ILE A 26 8.745 27.085 10.411 1.00 0.00 H new ATOM 0 HD13 ILE A 26 7.996 26.917 12.016 1.00 0.00 H new ATOM 423 N LYS A 27 2.974 26.096 10.904 1.00 0.00 N ATOM 424 CA LYS A 27 2.146 25.124 11.636 1.00 0.00 C ATOM 425 C LYS A 27 1.062 24.525 10.731 1.00 0.00 C ATOM 426 O LYS A 27 0.711 23.365 10.930 1.00 0.00 O ATOM 427 CB LYS A 27 1.557 25.855 12.853 1.00 0.00 C ATOM 428 CG LYS A 27 0.835 24.962 13.885 1.00 0.00 C ATOM 429 CD LYS A 27 1.669 24.683 15.142 1.00 0.00 C ATOM 430 CE LYS A 27 2.834 23.702 14.922 1.00 0.00 C ATOM 431 NZ LYS A 27 2.469 22.321 15.299 1.00 0.00 N ATOM 0 H LYS A 27 2.774 27.059 11.175 1.00 0.00 H new ATOM 0 HA LYS A 27 2.745 24.277 11.972 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.363 26.386 13.360 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.854 26.608 12.496 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.099 25.441 14.177 1.00 0.00 H new ATOM 0 HG3 LYS A 27 0.574 24.014 13.414 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.068 25.626 15.516 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.015 24.284 15.917 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.135 23.725 13.875 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.695 24.023 15.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.280 21.691 15.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 2.206 22.294 16.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.664 22.005 14.722 1.00 0.00 H new ATOM 445 N GLU A 28 0.608 25.228 9.687 1.00 0.00 N ATOM 446 CA GLU A 28 -0.399 24.745 8.713 1.00 0.00 C ATOM 447 C GLU A 28 0.227 23.657 7.843 1.00 0.00 C ATOM 448 O GLU A 28 -0.433 22.663 7.574 1.00 0.00 O ATOM 449 CB GLU A 28 -0.894 25.870 7.784 1.00 0.00 C ATOM 450 CG GLU A 28 -2.203 26.507 8.261 1.00 0.00 C ATOM 451 CD GLU A 28 -3.402 25.844 7.565 1.00 0.00 C ATOM 452 OE1 GLU A 28 -3.798 24.745 8.015 1.00 0.00 O ATOM 453 OE2 GLU A 28 -3.856 26.406 6.541 1.00 0.00 O ATOM 0 H GLU A 28 0.934 26.173 9.484 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.247 24.365 9.282 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.126 26.640 7.714 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.036 25.469 6.780 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.296 26.399 9.342 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.195 27.576 8.047 1.00 0.00 H new ATOM 460 N HIS A 29 1.523 23.711 7.563 1.00 0.00 N ATOM 461 CA HIS A 29 2.244 22.697 6.783 1.00 0.00 C ATOM 462 C HIS A 29 2.469 21.430 7.621 1.00 0.00 C ATOM 463 O HIS A 29 2.787 20.381 7.081 1.00 0.00 O ATOM 464 CB HIS A 29 3.576 23.261 6.257 1.00 0.00 C ATOM 465 CG HIS A 29 4.249 22.433 5.199 1.00 0.00 C ATOM 466 ND1 HIS A 29 5.288 21.497 5.420 1.00 0.00 N ATOM 467 CD2 HIS A 29 4.002 22.503 3.860 1.00 0.00 C ATOM 468 CE1 HIS A 29 5.530 20.961 4.214 1.00 0.00 C ATOM 469 NE2 HIS A 29 4.808 21.561 3.260 1.00 0.00 N ATOM 0 H HIS A 29 2.121 24.476 7.876 1.00 0.00 H new ATOM 0 HA HIS A 29 1.634 22.425 5.922 1.00 0.00 H new ATOM 0 HB2 HIS A 29 3.396 24.258 5.855 1.00 0.00 H new ATOM 0 HB3 HIS A 29 4.261 23.374 7.097 1.00 0.00 H new ATOM 0 HD2 HIS A 29 3.309 23.168 3.366 1.00 0.00 H new ATOM 0 HE1 HIS A 29 6.219 20.149 4.036 1.00 0.00 H new ATOM 0 HE2 HIS A 29 4.848 21.356 2.262 1.00 0.00 H new ATOM 477 N VAL A 30 2.313 21.479 8.951 1.00 0.00 N ATOM 478 CA VAL A 30 2.477 20.346 9.890 1.00 0.00 C ATOM 479 C VAL A 30 1.116 19.784 10.346 1.00 0.00 C ATOM 480 O VAL A 30 1.003 18.576 10.585 1.00 0.00 O ATOM 481 CB VAL A 30 3.421 20.641 11.053 1.00 0.00 C ATOM 482 CG1 VAL A 30 3.894 19.349 11.730 1.00 0.00 C ATOM 483 CG2 VAL A 30 4.694 21.379 10.609 1.00 0.00 C ATOM 0 H VAL A 30 2.058 22.344 9.429 1.00 0.00 H new ATOM 0 HA VAL A 30 2.976 19.557 9.327 1.00 0.00 H new ATOM 0 HB VAL A 30 2.841 21.263 11.735 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.564 19.594 12.554 1.00 0.00 H new ATOM 0 HG12 VAL A 30 3.032 18.803 12.114 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.422 18.730 11.004 1.00 0.00 H new ATOM 0 HG21 VAL A 30 5.329 21.563 11.476 1.00 0.00 H new ATOM 0 HG22 VAL A 30 5.235 20.769 9.886 1.00 0.00 H new ATOM 0 HG23 VAL A 30 4.422 22.330 10.150 1.00 0.00 H new ATOM 493 N ARG A 31 0.049 20.588 10.394 1.00 0.00 N ATOM 494 CA ARG A 31 -1.240 20.210 11.011 1.00 0.00 C ATOM 495 C ARG A 31 -2.055 19.595 9.876 1.00 0.00 C ATOM 496 O ARG A 31 -2.652 20.256 9.042 1.00 0.00 O ATOM 497 CB ARG A 31 -2.004 21.471 11.483 1.00 0.00 C ATOM 498 CG ARG A 31 -1.700 21.938 12.908 1.00 0.00 C ATOM 499 CD ARG A 31 -2.546 23.186 13.240 1.00 0.00 C ATOM 500 NE ARG A 31 -2.321 23.669 14.614 1.00 0.00 N ATOM 501 CZ ARG A 31 -2.794 24.800 15.125 1.00 0.00 C ATOM 502 NH1 ARG A 31 -3.530 25.618 14.433 1.00 0.00 N ATOM 503 NH2 ARG A 31 -2.509 25.129 16.358 1.00 0.00 N ATOM 0 H ARG A 31 0.049 21.530 10.004 1.00 0.00 H new ATOM 0 HA ARG A 31 -1.086 19.547 11.862 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.778 22.288 10.797 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.073 21.275 11.405 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.919 21.140 13.617 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -0.639 22.169 13.006 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.307 23.982 12.535 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.602 22.951 13.109 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.752 23.084 15.226 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.762 25.400 13.464 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -3.876 26.478 14.859 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.924 24.517 16.927 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -2.872 25.997 16.751 1.00 0.00 H new ATOM 517 N SER A 32 -1.996 18.268 9.843 1.00 0.00 N ATOM 518 CA SER A 32 -2.558 17.405 8.785 1.00 0.00 C ATOM 519 C SER A 32 -1.928 17.545 7.386 1.00 0.00 C ATOM 520 O SER A 32 -2.395 16.904 6.451 1.00 0.00 O ATOM 521 CB SER A 32 -4.092 17.540 8.788 1.00 0.00 C ATOM 522 OG SER A 32 -4.700 16.281 8.626 1.00 0.00 O ATOM 0 H SER A 32 -1.538 17.732 10.580 1.00 0.00 H new ATOM 0 HA SER A 32 -2.281 16.382 9.039 1.00 0.00 H new ATOM 0 HB2 SER A 32 -4.421 17.991 9.724 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.405 18.207 7.985 1.00 0.00 H new ATOM 0 HG SER A 32 -5.674 16.385 8.632 1.00 0.00 H new ATOM 528 N LYS A 33 -0.824 18.302 7.223 1.00 0.00 N ATOM 529 CA LYS A 33 -0.116 18.556 5.945 1.00 0.00 C ATOM 530 C LYS A 33 1.214 17.794 5.827 1.00 0.00 C ATOM 531 O LYS A 33 1.563 17.349 4.753 1.00 0.00 O ATOM 532 CB LYS A 33 0.086 20.049 5.679 1.00 0.00 C ATOM 533 CG LYS A 33 -1.013 20.843 4.957 1.00 0.00 C ATOM 534 CD LYS A 33 -2.325 20.986 5.749 1.00 0.00 C ATOM 535 CE LYS A 33 -3.046 22.321 5.482 1.00 0.00 C ATOM 536 NZ LYS A 33 -3.891 22.290 4.272 1.00 0.00 N ATOM 0 H LYS A 33 -0.380 18.775 8.010 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.775 18.164 5.170 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.260 20.532 6.641 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.002 20.157 5.098 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -0.632 21.838 4.727 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -1.229 20.357 4.006 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.990 20.162 5.491 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -2.111 20.902 6.814 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.665 22.572 6.344 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -2.305 23.114 5.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.349 23.215 4.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -3.301 22.079 3.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.619 21.554 4.376 1.00 0.00 H new ATOM 550 N THR A 34 1.944 17.603 6.935 1.00 0.00 N ATOM 551 CA THR A 34 3.214 16.824 6.967 1.00 0.00 C ATOM 552 C THR A 34 2.861 15.334 7.083 1.00 0.00 C ATOM 553 O THR A 34 3.624 14.483 6.635 1.00 0.00 O ATOM 554 CB THR A 34 4.166 17.249 8.100 1.00 0.00 C ATOM 555 OG1 THR A 34 4.791 18.472 7.812 1.00 0.00 O ATOM 556 CG2 THR A 34 5.335 16.304 8.381 1.00 0.00 C ATOM 0 H THR A 34 1.679 17.982 7.844 1.00 0.00 H new ATOM 0 HA THR A 34 3.756 17.025 6.043 1.00 0.00 H new ATOM 0 HB THR A 34 3.495 17.274 8.959 1.00 0.00 H new ATOM 0 HG1 THR A 34 4.116 19.129 7.543 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.938 16.703 9.197 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.951 15.323 8.660 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.951 16.211 7.487 1.00 0.00 H new ATOM 564 N LYS A 35 1.697 15.017 7.671 1.00 0.00 N ATOM 565 CA LYS A 35 1.223 13.654 7.938 1.00 0.00 C ATOM 566 C LYS A 35 0.617 13.036 6.673 1.00 0.00 C ATOM 567 O LYS A 35 0.805 11.842 6.451 1.00 0.00 O ATOM 568 CB LYS A 35 0.136 13.719 9.029 1.00 0.00 C ATOM 569 CG LYS A 35 0.761 13.603 10.418 1.00 0.00 C ATOM 570 CD LYS A 35 -0.107 14.233 11.514 1.00 0.00 C ATOM 571 CE LYS A 35 0.702 14.316 12.825 1.00 0.00 C ATOM 572 NZ LYS A 35 0.349 13.249 13.785 1.00 0.00 N ATOM 0 H LYS A 35 1.038 15.730 7.984 1.00 0.00 H new ATOM 0 HA LYS A 35 2.064 13.040 8.262 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.412 14.658 8.948 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.585 12.915 8.880 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.925 12.551 10.651 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.739 14.085 10.413 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.430 15.229 11.210 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.008 13.638 11.667 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.766 14.254 12.595 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.533 15.287 13.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 0.922 13.353 14.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.659 13.321 14.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.535 12.320 13.356 1.00 0.00 H new ATOM 586 N VAL A 36 0.010 13.838 5.800 1.00 0.00 N ATOM 587 CA VAL A 36 -0.605 13.371 4.546 1.00 0.00 C ATOM 588 C VAL A 36 0.362 13.756 3.399 1.00 0.00 C ATOM 589 O VAL A 36 1.082 14.748 3.528 1.00 0.00 O ATOM 590 CB VAL A 36 -2.026 13.991 4.423 1.00 0.00 C ATOM 591 CG1 VAL A 36 -2.328 14.865 3.201 1.00 0.00 C ATOM 592 CG2 VAL A 36 -3.103 12.901 4.493 1.00 0.00 C ATOM 0 H VAL A 36 -0.073 14.845 5.940 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.749 12.291 4.510 1.00 0.00 H new ATOM 0 HB VAL A 36 -2.044 14.672 5.274 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.356 15.224 3.256 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.647 15.716 3.185 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.197 14.278 2.292 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.089 13.357 4.405 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.957 12.192 3.678 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -3.029 12.377 5.446 1.00 0.00 H new ATOM 602 N PRO A 37 0.504 12.924 2.341 1.00 0.00 N ATOM 603 CA PRO A 37 1.278 13.263 1.134 1.00 0.00 C ATOM 604 C PRO A 37 0.550 14.353 0.355 1.00 0.00 C ATOM 605 O PRO A 37 -0.525 14.754 0.779 1.00 0.00 O ATOM 606 CB PRO A 37 1.358 11.972 0.332 1.00 0.00 C ATOM 607 CG PRO A 37 0.012 11.330 0.657 1.00 0.00 C ATOM 608 CD PRO A 37 -0.184 11.660 2.130 1.00 0.00 C ATOM 0 HA PRO A 37 2.273 13.644 1.363 1.00 0.00 H new ATOM 0 HB2 PRO A 37 1.477 12.159 -0.735 1.00 0.00 H new ATOM 0 HB3 PRO A 37 2.196 11.348 0.642 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -0.789 11.741 0.042 1.00 0.00 H new ATOM 0 HG3 PRO A 37 0.027 10.254 0.484 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -1.243 11.744 2.376 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.230 10.877 2.766 1.00 0.00 H new ATOM 616 N VAL A 38 1.194 15.138 -0.488 1.00 0.00 N ATOM 617 CA VAL A 38 0.471 15.999 -1.450 1.00 0.00 C ATOM 618 C VAL A 38 0.846 17.372 -0.947 1.00 0.00 C ATOM 619 O VAL A 38 0.263 17.763 0.057 1.00 0.00 O ATOM 620 CB VAL A 38 -0.992 15.723 -1.872 1.00 0.00 C ATOM 621 CG1 VAL A 38 -1.554 16.902 -2.680 1.00 0.00 C ATOM 622 CG2 VAL A 38 -1.093 14.414 -2.694 1.00 0.00 C ATOM 0 H VAL A 38 2.210 15.209 -0.539 1.00 0.00 H new ATOM 0 HA VAL A 38 0.772 15.784 -2.475 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.586 15.606 -0.966 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.584 16.688 -2.967 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.527 17.806 -2.071 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.951 17.050 -3.576 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.131 14.242 -2.979 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.480 14.500 -3.591 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.739 13.578 -2.091 1.00 0.00 H new ATOM 632 N GLN A 39 1.722 18.159 -1.550 1.00 0.00 N ATOM 633 CA GLN A 39 2.109 19.409 -0.879 1.00 0.00 C ATOM 634 C GLN A 39 1.205 20.549 -1.367 1.00 0.00 C ATOM 635 O GLN A 39 1.022 21.517 -0.628 1.00 0.00 O ATOM 636 CB GLN A 39 3.585 19.742 -1.166 1.00 0.00 C ATOM 637 CG GLN A 39 4.599 18.598 -1.008 1.00 0.00 C ATOM 638 CD GLN A 39 4.637 17.961 0.377 1.00 0.00 C ATOM 639 OE1 GLN A 39 4.563 18.618 1.403 1.00 0.00 O ATOM 640 NE2 GLN A 39 4.879 16.670 0.444 1.00 0.00 N ATOM 0 H GLN A 39 2.163 17.979 -2.452 1.00 0.00 H new ATOM 0 HA GLN A 39 1.990 19.287 0.198 1.00 0.00 H new ATOM 0 HB2 GLN A 39 3.656 20.119 -2.186 1.00 0.00 H new ATOM 0 HB3 GLN A 39 3.884 20.555 -0.504 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.370 17.825 -1.741 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.593 18.978 -1.245 1.00 0.00 H new ATOM 0 HE21 GLN A 39 4.942 16.118 -0.411 1.00 0.00 H new ATOM 0 HE22 GLN A 39 5.004 16.221 1.351 1.00 0.00 H new ATOM 649 N ASP A 40 0.716 20.464 -2.618 1.00 0.00 N ATOM 650 CA ASP A 40 -0.122 21.401 -3.379 1.00 0.00 C ATOM 651 C ASP A 40 0.570 22.730 -3.717 1.00 0.00 C ATOM 652 O ASP A 40 0.543 23.233 -4.842 1.00 0.00 O ATOM 653 CB ASP A 40 -1.494 21.559 -2.687 1.00 0.00 C ATOM 654 CG ASP A 40 -2.622 21.936 -3.652 1.00 0.00 C ATOM 655 OD1 ASP A 40 -2.538 23.019 -4.262 1.00 0.00 O ATOM 656 OD2 ASP A 40 -3.626 21.184 -3.679 1.00 0.00 O ATOM 0 H ASP A 40 0.925 19.640 -3.182 1.00 0.00 H new ATOM 0 HA ASP A 40 -0.297 20.966 -4.363 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -1.750 20.625 -2.187 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.417 22.323 -1.914 1.00 0.00 H new ATOM 661 N GLN A 41 1.427 23.214 -2.813 1.00 0.00 N ATOM 662 CA GLN A 41 2.173 24.457 -2.951 1.00 0.00 C ATOM 663 C GLN A 41 3.428 24.312 -2.073 1.00 0.00 C ATOM 664 O GLN A 41 3.368 24.294 -0.843 1.00 0.00 O ATOM 665 CB GLN A 41 1.295 25.666 -2.519 1.00 0.00 C ATOM 666 CG GLN A 41 1.145 26.709 -3.640 1.00 0.00 C ATOM 667 CD GLN A 41 0.547 28.059 -3.227 1.00 0.00 C ATOM 668 OE1 GLN A 41 0.341 28.404 -2.073 1.00 0.00 O ATOM 669 NE2 GLN A 41 0.326 28.946 -4.188 1.00 0.00 N ATOM 0 H GLN A 41 1.623 22.730 -1.937 1.00 0.00 H new ATOM 0 HA GLN A 41 2.459 24.644 -3.986 1.00 0.00 H new ATOM 0 HB2 GLN A 41 0.308 25.309 -2.224 1.00 0.00 H new ATOM 0 HB3 GLN A 41 1.738 26.139 -1.643 1.00 0.00 H new ATOM 0 HG2 GLN A 41 2.128 26.888 -4.077 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.520 26.282 -4.425 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.487 28.693 -5.163 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -0.005 29.881 -3.952 1.00 0.00 H new ATOM 678 N VAL A 42 4.593 24.358 -2.704 1.00 0.00 N ATOM 679 CA VAL A 42 5.896 24.202 -2.046 1.00 0.00 C ATOM 680 C VAL A 42 6.675 25.475 -2.384 1.00 0.00 C ATOM 681 O VAL A 42 6.589 26.002 -3.489 1.00 0.00 O ATOM 682 CB VAL A 42 6.754 22.995 -2.537 1.00 0.00 C ATOM 683 CG1 VAL A 42 6.140 21.640 -2.190 1.00 0.00 C ATOM 684 CG2 VAL A 42 7.111 22.954 -4.038 1.00 0.00 C ATOM 0 H VAL A 42 4.667 24.508 -3.710 1.00 0.00 H new ATOM 0 HA VAL A 42 5.711 24.025 -0.986 1.00 0.00 H new ATOM 0 HB VAL A 42 7.677 23.174 -1.985 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.785 20.843 -2.559 1.00 0.00 H new ATOM 0 HG12 VAL A 42 6.038 21.553 -1.108 1.00 0.00 H new ATOM 0 HG13 VAL A 42 5.158 21.556 -2.655 1.00 0.00 H new ATOM 0 HG21 VAL A 42 7.708 22.066 -4.246 1.00 0.00 H new ATOM 0 HG22 VAL A 42 6.196 22.922 -4.629 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.682 23.845 -4.301 1.00 0.00 H new ATOM 694 N LEU A 43 7.586 25.885 -1.531 1.00 0.00 N ATOM 695 CA LEU A 43 8.275 27.162 -1.679 1.00 0.00 C ATOM 696 C LEU A 43 9.726 26.829 -1.363 1.00 0.00 C ATOM 697 O LEU A 43 10.028 25.958 -0.541 1.00 0.00 O ATOM 698 CB LEU A 43 7.711 28.265 -0.718 1.00 0.00 C ATOM 699 CG LEU A 43 7.810 29.726 -1.245 1.00 0.00 C ATOM 700 CD1 LEU A 43 6.854 30.667 -0.505 1.00 0.00 C ATOM 701 CD2 LEU A 43 9.180 30.393 -1.109 1.00 0.00 C ATOM 0 H LEU A 43 7.875 25.348 -0.713 1.00 0.00 H new ATOM 0 HA LEU A 43 8.144 27.584 -2.675 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.664 28.042 -0.511 1.00 0.00 H new ATOM 0 HB3 LEU A 43 8.244 28.203 0.231 1.00 0.00 H new ATOM 0 HG LEU A 43 7.569 29.597 -2.300 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.955 31.676 -0.904 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.828 30.324 -0.641 1.00 0.00 H new ATOM 0 HD13 LEU A 43 7.097 30.671 0.558 1.00 0.00 H new ATOM 0 HD21 LEU A 43 9.132 31.406 -1.508 1.00 0.00 H new ATOM 0 HD22 LEU A 43 9.464 30.430 -0.057 1.00 0.00 H new ATOM 0 HD23 LEU A 43 9.921 29.819 -1.665 1.00 0.00 H new ATOM 713 N LEU A 44 10.649 27.573 -1.936 1.00 0.00 N ATOM 714 CA LEU A 44 12.071 27.264 -1.900 1.00 0.00 C ATOM 715 C LEU A 44 12.785 28.609 -1.948 1.00 0.00 C ATOM 716 O LEU A 44 12.349 29.577 -2.569 1.00 0.00 O ATOM 717 CB LEU A 44 12.593 26.427 -3.108 1.00 0.00 C ATOM 718 CG LEU A 44 12.478 24.901 -3.003 1.00 0.00 C ATOM 719 CD1 LEU A 44 11.157 24.355 -3.537 1.00 0.00 C ATOM 720 CD2 LEU A 44 13.602 24.209 -3.800 1.00 0.00 C ATOM 0 H LEU A 44 10.432 28.427 -2.451 1.00 0.00 H new ATOM 0 HA LEU A 44 12.257 26.665 -1.009 1.00 0.00 H new ATOM 0 HB2 LEU A 44 12.053 26.746 -3.999 1.00 0.00 H new ATOM 0 HB3 LEU A 44 13.642 26.677 -3.265 1.00 0.00 H new ATOM 0 HG LEU A 44 12.548 24.686 -1.937 1.00 0.00 H new ATOM 0 HD11 LEU A 44 11.143 23.270 -3.432 1.00 0.00 H new ATOM 0 HD12 LEU A 44 10.330 24.785 -2.971 1.00 0.00 H new ATOM 0 HD13 LEU A 44 11.053 24.619 -4.589 1.00 0.00 H new ATOM 0 HD21 LEU A 44 13.499 23.128 -3.710 1.00 0.00 H new ATOM 0 HD22 LEU A 44 13.532 24.494 -4.850 1.00 0.00 H new ATOM 0 HD23 LEU A 44 14.570 24.515 -3.404 1.00 0.00 H new ATOM 732 N LEU A 45 13.914 28.695 -1.238 1.00 0.00 N ATOM 733 CA LEU A 45 14.565 29.991 -1.026 1.00 0.00 C ATOM 734 C LEU A 45 15.926 29.811 -0.378 1.00 0.00 C ATOM 735 O LEU A 45 16.081 29.559 0.809 1.00 0.00 O ATOM 736 CB LEU A 45 13.687 30.915 -0.127 1.00 0.00 C ATOM 737 CG LEU A 45 14.089 32.383 -0.343 1.00 0.00 C ATOM 738 CD1 LEU A 45 12.877 33.266 -0.094 1.00 0.00 C ATOM 739 CD2 LEU A 45 15.224 32.848 0.581 1.00 0.00 C ATOM 0 H LEU A 45 14.388 27.901 -0.808 1.00 0.00 H new ATOM 0 HA LEU A 45 14.691 30.458 -2.003 1.00 0.00 H new ATOM 0 HB2 LEU A 45 12.633 30.777 -0.368 1.00 0.00 H new ATOM 0 HB3 LEU A 45 13.812 30.644 0.921 1.00 0.00 H new ATOM 0 HG LEU A 45 14.451 32.464 -1.368 1.00 0.00 H new ATOM 0 HD11 LEU A 45 13.151 34.310 -0.244 1.00 0.00 H new ATOM 0 HD12 LEU A 45 12.081 32.996 -0.788 1.00 0.00 H new ATOM 0 HD13 LEU A 45 12.529 33.126 0.929 1.00 0.00 H new ATOM 0 HD21 LEU A 45 15.456 33.893 0.374 1.00 0.00 H new ATOM 0 HD22 LEU A 45 14.913 32.744 1.620 1.00 0.00 H new ATOM 0 HD23 LEU A 45 16.110 32.238 0.405 1.00 0.00 H new ATOM 751 N GLY A 46 16.947 29.940 -1.238 1.00 0.00 N ATOM 752 CA GLY A 46 18.347 29.739 -0.860 1.00 0.00 C ATOM 753 C GLY A 46 18.656 28.263 -0.654 1.00 0.00 C ATOM 754 O GLY A 46 19.152 27.868 0.402 1.00 0.00 O ATOM 0 H GLY A 46 16.820 30.188 -2.219 1.00 0.00 H new ATOM 0 HA2 GLY A 46 18.997 30.144 -1.635 1.00 0.00 H new ATOM 0 HA3 GLY A 46 18.562 30.289 0.056 1.00 0.00 H new ATOM 758 N SER A 47 18.338 27.442 -1.662 1.00 0.00 N ATOM 759 CA SER A 47 18.538 25.975 -1.646 1.00 0.00 C ATOM 760 C SER A 47 17.812 25.172 -0.543 1.00 0.00 C ATOM 761 O SER A 47 18.103 23.997 -0.334 1.00 0.00 O ATOM 762 CB SER A 47 20.028 25.643 -1.760 1.00 0.00 C ATOM 763 OG SER A 47 20.253 24.846 -2.897 1.00 0.00 O ATOM 0 H SER A 47 17.926 27.779 -2.532 1.00 0.00 H new ATOM 0 HA SER A 47 18.017 25.616 -2.534 1.00 0.00 H new ATOM 0 HB2 SER A 47 20.611 26.562 -1.828 1.00 0.00 H new ATOM 0 HB3 SER A 47 20.363 25.119 -0.865 1.00 0.00 H new ATOM 0 HG SER A 47 21.208 24.638 -2.967 1.00 0.00 H new ATOM 769 N LYS A 48 16.811 25.756 0.123 1.00 0.00 N ATOM 770 CA LYS A 48 16.088 25.134 1.258 1.00 0.00 C ATOM 771 C LYS A 48 14.581 25.240 1.000 1.00 0.00 C ATOM 772 O LYS A 48 14.163 26.028 0.147 1.00 0.00 O ATOM 773 CB LYS A 48 16.509 25.844 2.574 1.00 0.00 C ATOM 774 CG LYS A 48 15.768 27.165 2.917 1.00 0.00 C ATOM 775 CD LYS A 48 14.557 27.019 3.847 1.00 0.00 C ATOM 776 CE LYS A 48 14.699 27.759 5.183 1.00 0.00 C ATOM 777 NZ LYS A 48 15.519 26.982 6.146 1.00 0.00 N ATOM 0 H LYS A 48 16.468 26.689 -0.108 1.00 0.00 H new ATOM 0 HA LYS A 48 16.339 24.078 1.355 1.00 0.00 H new ATOM 0 HB2 LYS A 48 16.363 25.147 3.399 1.00 0.00 H new ATOM 0 HB3 LYS A 48 17.577 26.056 2.521 1.00 0.00 H new ATOM 0 HG2 LYS A 48 16.478 27.851 3.379 1.00 0.00 H new ATOM 0 HG3 LYS A 48 15.437 27.628 1.987 1.00 0.00 H new ATOM 0 HD2 LYS A 48 13.670 27.389 3.332 1.00 0.00 H new ATOM 0 HD3 LYS A 48 14.391 25.960 4.046 1.00 0.00 H new ATOM 0 HE2 LYS A 48 15.158 28.733 5.014 1.00 0.00 H new ATOM 0 HE3 LYS A 48 13.711 27.941 5.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 15.597 27.508 7.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 15.067 26.062 6.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 16.469 26.830 5.750 1.00 0.00 H new ATOM 791 N ILE A 49 13.737 24.618 1.824 1.00 0.00 N ATOM 792 CA ILE A 49 12.290 24.560 1.585 1.00 0.00 C ATOM 793 C ILE A 49 11.675 25.515 2.614 1.00 0.00 C ATOM 794 O ILE A 49 11.900 25.408 3.833 1.00 0.00 O ATOM 795 CB ILE A 49 11.709 23.115 1.731 1.00 0.00 C ATOM 796 CG1 ILE A 49 10.180 23.042 1.441 1.00 0.00 C ATOM 797 CG2 ILE A 49 11.964 22.423 3.085 1.00 0.00 C ATOM 798 CD1 ILE A 49 9.850 22.638 0.008 1.00 0.00 C ATOM 0 H ILE A 49 14.034 24.140 2.675 1.00 0.00 H new ATOM 0 HA ILE A 49 12.055 24.848 0.561 1.00 0.00 H new ATOM 0 HB ILE A 49 12.273 22.572 0.972 1.00 0.00 H new ATOM 0 HG12 ILE A 49 9.722 22.328 2.126 1.00 0.00 H new ATOM 0 HG13 ILE A 49 9.732 24.014 1.648 1.00 0.00 H new ATOM 0 HG21 ILE A 49 11.518 21.428 3.075 1.00 0.00 H new ATOM 0 HG22 ILE A 49 13.038 22.338 3.254 1.00 0.00 H new ATOM 0 HG23 ILE A 49 11.517 23.013 3.885 1.00 0.00 H new ATOM 0 HD11 ILE A 49 8.768 22.608 -0.122 1.00 0.00 H new ATOM 0 HD12 ILE A 49 10.278 23.365 -0.683 1.00 0.00 H new ATOM 0 HD13 ILE A 49 10.268 21.652 -0.198 1.00 0.00 H new ATOM 810 N LEU A 50 10.835 26.429 2.133 1.00 0.00 N ATOM 811 CA LEU A 50 10.162 27.410 2.962 1.00 0.00 C ATOM 812 C LEU A 50 8.741 26.865 3.088 1.00 0.00 C ATOM 813 O LEU A 50 8.175 26.221 2.202 1.00 0.00 O ATOM 814 CB LEU A 50 10.099 28.834 2.326 1.00 0.00 C ATOM 815 CG LEU A 50 10.611 29.993 3.217 1.00 0.00 C ATOM 816 CD1 LEU A 50 12.072 29.809 3.594 1.00 0.00 C ATOM 817 CD2 LEU A 50 10.442 31.344 2.519 1.00 0.00 C ATOM 0 H LEU A 50 10.604 26.505 1.142 1.00 0.00 H new ATOM 0 HA LEU A 50 10.695 27.537 3.904 1.00 0.00 H new ATOM 0 HB2 LEU A 50 10.680 28.826 1.404 1.00 0.00 H new ATOM 0 HB3 LEU A 50 9.065 29.043 2.050 1.00 0.00 H new ATOM 0 HG LEU A 50 10.008 29.977 4.125 1.00 0.00 H new ATOM 0 HD11 LEU A 50 12.394 30.642 4.219 1.00 0.00 H new ATOM 0 HD12 LEU A 50 12.191 28.875 4.144 1.00 0.00 H new ATOM 0 HD13 LEU A 50 12.680 29.777 2.690 1.00 0.00 H new ATOM 0 HD21 LEU A 50 10.810 32.138 3.169 1.00 0.00 H new ATOM 0 HD22 LEU A 50 11.008 31.346 1.588 1.00 0.00 H new ATOM 0 HD23 LEU A 50 9.387 31.512 2.303 1.00 0.00 H new ATOM 829 N LYS A 51 8.163 27.185 4.231 1.00 0.00 N ATOM 830 CA LYS A 51 6.951 26.601 4.797 1.00 0.00 C ATOM 831 C LYS A 51 5.875 27.718 4.778 1.00 0.00 C ATOM 832 O LYS A 51 4.773 27.447 4.316 1.00 0.00 O ATOM 833 CB LYS A 51 7.246 26.056 6.221 1.00 0.00 C ATOM 834 CG LYS A 51 6.486 24.763 6.540 1.00 0.00 C ATOM 835 CD LYS A 51 7.286 23.708 7.329 1.00 0.00 C ATOM 836 CE LYS A 51 8.074 22.790 6.380 1.00 0.00 C ATOM 837 NZ LYS A 51 8.252 21.439 6.968 1.00 0.00 N ATOM 0 H LYS A 51 8.552 27.910 4.834 1.00 0.00 H new ATOM 0 HA LYS A 51 6.589 25.748 4.224 1.00 0.00 H new ATOM 0 HB2 LYS A 51 8.316 25.875 6.320 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.982 26.816 6.956 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.592 25.017 7.109 1.00 0.00 H new ATOM 0 HG3 LYS A 51 6.152 24.317 5.603 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.973 24.205 8.014 1.00 0.00 H new ATOM 0 HD3 LYS A 51 6.606 23.111 7.937 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.549 22.709 5.428 1.00 0.00 H new ATOM 0 HE3 LYS A 51 9.049 23.230 6.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 8.787 20.840 6.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 8.774 21.516 7.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 7.320 21.012 7.145 1.00 0.00 H new ATOM 851 N PRO A 52 6.162 28.967 5.199 1.00 0.00 N ATOM 852 CA PRO A 52 5.309 30.122 4.891 1.00 0.00 C ATOM 853 C PRO A 52 5.420 30.599 3.435 1.00 0.00 C ATOM 854 O PRO A 52 6.194 30.062 2.649 1.00 0.00 O ATOM 855 CB PRO A 52 5.765 31.204 5.881 1.00 0.00 C ATOM 856 CG PRO A 52 7.240 30.931 6.017 1.00 0.00 C ATOM 857 CD PRO A 52 7.316 29.412 5.983 1.00 0.00 C ATOM 0 HA PRO A 52 4.254 29.868 4.995 1.00 0.00 H new ATOM 0 HB2 PRO A 52 5.573 32.207 5.501 1.00 0.00 H new ATOM 0 HB3 PRO A 52 5.248 31.121 6.837 1.00 0.00 H new ATOM 0 HG2 PRO A 52 7.810 31.381 5.204 1.00 0.00 H new ATOM 0 HG3 PRO A 52 7.640 31.334 6.948 1.00 0.00 H new ATOM 0 HD2 PRO A 52 8.249 29.078 5.528 1.00 0.00 H new ATOM 0 HD3 PRO A 52 7.286 28.997 6.991 1.00 0.00 H new ATOM 1024 N LYS A 63 10.675 50.011 3.795 1.00 0.00 N ATOM 1025 CA LYS A 63 10.078 50.814 2.722 1.00 0.00 C ATOM 1026 C LYS A 63 9.280 49.865 1.854 1.00 0.00 C ATOM 1027 O LYS A 63 9.537 48.655 1.802 1.00 0.00 O ATOM 1028 CB LYS A 63 11.147 51.511 1.828 1.00 0.00 C ATOM 1029 CG LYS A 63 12.001 52.548 2.568 1.00 0.00 C ATOM 1030 CD LYS A 63 12.911 53.396 1.645 1.00 0.00 C ATOM 1031 CE LYS A 63 14.323 52.799 1.519 1.00 0.00 C ATOM 1032 NZ LYS A 63 15.191 53.639 0.656 1.00 0.00 N ATOM 0 HA LYS A 63 9.468 51.598 3.171 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.803 50.751 1.405 1.00 0.00 H new ATOM 0 HB3 LYS A 63 10.645 51.999 0.993 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.342 53.216 3.123 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.623 52.034 3.300 1.00 0.00 H new ATOM 0 HD2 LYS A 63 12.458 53.467 0.656 1.00 0.00 H new ATOM 0 HD3 LYS A 63 12.980 54.411 2.038 1.00 0.00 H new ATOM 0 HE2 LYS A 63 14.771 52.707 2.509 1.00 0.00 H new ATOM 0 HE3 LYS A 63 14.259 51.793 1.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 16.136 53.209 0.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 14.775 53.706 -0.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 15.271 54.591 1.066 1.00 0.00 H new ATOM 1046 N GLU A 64 8.475 50.420 0.969 1.00 0.00 N ATOM 1047 CA GLU A 64 7.469 49.644 0.263 1.00 0.00 C ATOM 1048 C GLU A 64 8.205 49.294 -1.031 1.00 0.00 C ATOM 1049 O GLU A 64 8.662 50.122 -1.824 1.00 0.00 O ATOM 1050 CB GLU A 64 6.183 50.486 -0.019 1.00 0.00 C ATOM 1051 CG GLU A 64 6.350 51.904 -0.616 1.00 0.00 C ATOM 1052 CD GLU A 64 5.673 52.134 -1.983 1.00 0.00 C ATOM 1053 OE1 GLU A 64 5.687 51.188 -2.812 1.00 0.00 O ATOM 1054 OE2 GLU A 64 5.168 53.253 -2.192 1.00 0.00 O ATOM 0 H GLU A 64 8.497 51.409 0.720 1.00 0.00 H new ATOM 0 HA GLU A 64 7.109 48.778 0.818 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.552 49.912 -0.698 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.637 50.583 0.919 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.950 52.628 0.094 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.415 52.113 -0.718 1.00 0.00 H new ATOM 1061 N LYS A 65 8.435 47.987 -1.173 1.00 0.00 N ATOM 1062 CA LYS A 65 9.296 47.396 -2.190 1.00 0.00 C ATOM 1063 C LYS A 65 8.846 45.965 -2.403 1.00 0.00 C ATOM 1064 O LYS A 65 8.526 45.226 -1.459 1.00 0.00 O ATOM 1065 CB LYS A 65 10.818 47.367 -1.801 1.00 0.00 C ATOM 1066 CG LYS A 65 11.660 48.261 -2.743 1.00 0.00 C ATOM 1067 CD LYS A 65 13.157 47.878 -2.837 1.00 0.00 C ATOM 1068 CE LYS A 65 14.080 48.748 -1.979 1.00 0.00 C ATOM 1069 NZ LYS A 65 14.532 49.937 -2.748 1.00 0.00 N ATOM 0 H LYS A 65 8.011 47.290 -0.560 1.00 0.00 H new ATOM 0 HA LYS A 65 9.206 48.015 -3.083 1.00 0.00 H new ATOM 0 HB2 LYS A 65 10.938 47.706 -0.772 1.00 0.00 H new ATOM 0 HB3 LYS A 65 11.186 46.342 -1.844 1.00 0.00 H new ATOM 0 HG2 LYS A 65 11.226 48.221 -3.742 1.00 0.00 H new ATOM 0 HG3 LYS A 65 11.585 49.294 -2.404 1.00 0.00 H new ATOM 0 HD2 LYS A 65 13.274 46.837 -2.537 1.00 0.00 H new ATOM 0 HD3 LYS A 65 13.474 47.947 -3.878 1.00 0.00 H new ATOM 0 HE2 LYS A 65 13.556 49.067 -1.078 1.00 0.00 H new ATOM 0 HE3 LYS A 65 14.943 48.166 -1.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 15.157 50.518 -2.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 15.050 49.626 -3.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 13.706 50.500 -3.034 1.00 0.00 H new ATOM 1083 N THR A 66 9.053 45.501 -3.617 1.00 0.00 N ATOM 1084 CA THR A 66 8.524 44.218 -4.059 1.00 0.00 C ATOM 1085 C THR A 66 9.733 43.293 -3.988 1.00 0.00 C ATOM 1086 O THR A 66 10.873 43.693 -3.705 1.00 0.00 O ATOM 1087 CB THR A 66 8.065 44.274 -5.558 1.00 0.00 C ATOM 1088 OG1 THR A 66 9.132 44.650 -6.405 1.00 0.00 O ATOM 1089 CG2 THR A 66 6.950 45.275 -5.828 1.00 0.00 C ATOM 0 H THR A 66 9.591 45.997 -4.328 1.00 0.00 H new ATOM 0 HA THR A 66 7.668 43.911 -3.459 1.00 0.00 H new ATOM 0 HB THR A 66 7.707 43.265 -5.761 1.00 0.00 H new ATOM 0 HG1 THR A 66 8.819 44.675 -7.333 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.690 45.253 -6.886 1.00 0.00 H new ATOM 0 HG22 THR A 66 6.075 45.014 -5.234 1.00 0.00 H new ATOM 0 HG23 THR A 66 7.286 46.276 -5.558 1.00 0.00 H new ATOM 1097 N ILE A 67 9.524 42.006 -4.200 1.00 0.00 N ATOM 1098 CA ILE A 67 10.474 40.955 -3.841 1.00 0.00 C ATOM 1099 C ILE A 67 10.134 39.804 -4.751 1.00 0.00 C ATOM 1100 O ILE A 67 8.977 39.606 -5.133 1.00 0.00 O ATOM 1101 CB ILE A 67 10.369 40.417 -2.366 1.00 0.00 C ATOM 1102 CG1 ILE A 67 9.024 40.673 -1.633 1.00 0.00 C ATOM 1103 CG2 ILE A 67 11.566 40.908 -1.532 1.00 0.00 C ATOM 1104 CD1 ILE A 67 8.863 39.910 -0.310 1.00 0.00 C ATOM 0 H ILE A 67 8.673 41.649 -4.635 1.00 0.00 H new ATOM 0 HA ILE A 67 11.479 41.367 -3.934 1.00 0.00 H new ATOM 0 HB ILE A 67 10.398 39.332 -2.466 1.00 0.00 H new ATOM 0 HG12 ILE A 67 8.930 41.741 -1.435 1.00 0.00 H new ATOM 0 HG13 ILE A 67 8.205 40.399 -2.298 1.00 0.00 H new ATOM 0 HG21 ILE A 67 11.480 40.528 -0.514 1.00 0.00 H new ATOM 0 HG22 ILE A 67 12.493 40.546 -1.977 1.00 0.00 H new ATOM 0 HG23 ILE A 67 11.574 41.998 -1.513 1.00 0.00 H new ATOM 0 HD11 ILE A 67 7.896 40.149 0.132 1.00 0.00 H new ATOM 0 HD12 ILE A 67 8.921 38.838 -0.499 1.00 0.00 H new ATOM 0 HD13 ILE A 67 9.658 40.201 0.377 1.00 0.00 H new ATOM 1116 N HIS A 68 11.117 38.957 -5.000 1.00 0.00 N ATOM 1117 CA HIS A 68 11.048 37.969 -6.059 1.00 0.00 C ATOM 1118 C HIS A 68 11.800 36.789 -5.471 1.00 0.00 C ATOM 1119 O HIS A 68 12.969 36.875 -5.110 1.00 0.00 O ATOM 1120 CB HIS A 68 11.710 38.437 -7.395 1.00 0.00 C ATOM 1121 CG HIS A 68 11.286 37.676 -8.642 1.00 0.00 C ATOM 1122 ND1 HIS A 68 11.621 38.056 -9.949 1.00 0.00 N ATOM 1123 CD2 HIS A 68 10.412 36.634 -8.722 1.00 0.00 C ATOM 1124 CE1 HIS A 68 10.904 37.271 -10.766 1.00 0.00 C ATOM 1125 NE2 HIS A 68 10.164 36.403 -10.054 1.00 0.00 N ATOM 0 H HIS A 68 11.989 38.936 -4.471 1.00 0.00 H new ATOM 0 HA HIS A 68 10.017 37.752 -6.339 1.00 0.00 H new ATOM 0 HB2 HIS A 68 11.483 39.493 -7.541 1.00 0.00 H new ATOM 0 HB3 HIS A 68 12.792 38.355 -7.292 1.00 0.00 H new ATOM 0 HD2 HIS A 68 9.991 36.089 -7.890 1.00 0.00 H new ATOM 0 HE1 HIS A 68 10.919 37.328 -11.844 1.00 0.00 H new ATOM 0 HE2 HIS A 68 9.532 35.699 -10.434 1.00 0.00 H new ATOM 1133 N LEU A 69 11.121 35.663 -5.451 1.00 0.00 N ATOM 1134 CA LEU A 69 11.482 34.488 -4.662 1.00 0.00 C ATOM 1135 C LEU A 69 11.098 33.299 -5.563 1.00 0.00 C ATOM 1136 O LEU A 69 10.529 33.489 -6.651 1.00 0.00 O ATOM 1137 CB LEU A 69 10.693 34.369 -3.293 1.00 0.00 C ATOM 1138 CG LEU A 69 10.209 35.618 -2.511 1.00 0.00 C ATOM 1139 CD1 LEU A 69 8.714 35.893 -2.727 1.00 0.00 C ATOM 1140 CD2 LEU A 69 10.371 35.472 -0.992 1.00 0.00 C ATOM 0 H LEU A 69 10.272 35.528 -6.000 1.00 0.00 H new ATOM 0 HA LEU A 69 12.535 34.533 -4.385 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.810 33.761 -3.491 1.00 0.00 H new ATOM 0 HB3 LEU A 69 11.327 33.799 -2.614 1.00 0.00 H new ATOM 0 HG LEU A 69 10.831 36.425 -2.897 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.421 36.777 -2.160 1.00 0.00 H new ATOM 0 HD12 LEU A 69 8.525 36.063 -3.787 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.134 35.035 -2.388 1.00 0.00 H new ATOM 0 HD21 LEU A 69 10.015 36.377 -0.500 1.00 0.00 H new ATOM 0 HD22 LEU A 69 9.790 34.618 -0.645 1.00 0.00 H new ATOM 0 HD23 LEU A 69 11.423 35.317 -0.751 1.00 0.00 H new ATOM 1152 N THR A 70 11.284 32.060 -5.135 1.00 0.00 N ATOM 1153 CA THR A 70 11.115 30.927 -6.045 1.00 0.00 C ATOM 1154 C THR A 70 10.112 30.037 -5.323 1.00 0.00 C ATOM 1155 O THR A 70 10.028 29.961 -4.094 1.00 0.00 O ATOM 1156 CB THR A 70 12.390 30.091 -6.394 1.00 0.00 C ATOM 1157 OG1 THR A 70 12.856 29.267 -5.362 1.00 0.00 O ATOM 1158 CG2 THR A 70 13.616 30.873 -6.867 1.00 0.00 C ATOM 0 H THR A 70 11.547 31.811 -4.182 1.00 0.00 H new ATOM 0 HA THR A 70 10.811 31.311 -7.019 1.00 0.00 H new ATOM 0 HB THR A 70 11.984 29.509 -7.222 1.00 0.00 H new ATOM 0 HG1 THR A 70 12.642 29.674 -4.497 1.00 0.00 H new ATOM 0 HG21 THR A 70 14.431 30.180 -7.076 1.00 0.00 H new ATOM 0 HG22 THR A 70 13.368 31.426 -7.773 1.00 0.00 H new ATOM 0 HG23 THR A 70 13.924 31.571 -6.089 1.00 0.00 H new ATOM 1166 N LEU A 71 9.256 29.402 -6.099 1.00 0.00 N ATOM 1167 CA LEU A 71 8.076 28.706 -5.615 1.00 0.00 C ATOM 1168 C LEU A 71 7.765 27.696 -6.714 1.00 0.00 C ATOM 1169 O LEU A 71 8.059 27.917 -7.882 1.00 0.00 O ATOM 1170 CB LEU A 71 6.860 29.670 -5.365 1.00 0.00 C ATOM 1171 CG LEU A 71 5.685 29.042 -4.570 1.00 0.00 C ATOM 1172 CD1 LEU A 71 4.922 30.038 -3.690 1.00 0.00 C ATOM 1173 CD2 LEU A 71 4.618 28.412 -5.466 1.00 0.00 C ATOM 0 H LEU A 71 9.364 29.354 -7.112 1.00 0.00 H new ATOM 0 HA LEU A 71 8.255 28.240 -4.646 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.216 30.549 -4.827 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.485 30.016 -6.328 1.00 0.00 H new ATOM 0 HG LEU A 71 6.194 28.295 -3.961 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.117 29.520 -3.168 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.604 30.476 -2.961 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.501 30.827 -4.314 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.825 27.991 -4.847 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.199 29.174 -6.124 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.068 27.621 -6.067 1.00 0.00 H new ATOM 1185 N LYS A 72 7.176 26.570 -6.354 1.00 0.00 N ATOM 1186 CA LYS A 72 6.879 25.476 -7.284 1.00 0.00 C ATOM 1187 C LYS A 72 5.610 24.797 -6.740 1.00 0.00 C ATOM 1188 O LYS A 72 5.141 25.099 -5.647 1.00 0.00 O ATOM 1189 CB LYS A 72 8.106 24.511 -7.374 1.00 0.00 C ATOM 1190 CG LYS A 72 8.040 23.574 -8.593 1.00 0.00 C ATOM 1191 CD LYS A 72 9.351 22.815 -8.871 1.00 0.00 C ATOM 1192 CE LYS A 72 10.244 23.575 -9.864 1.00 0.00 C ATOM 1193 NZ LYS A 72 11.432 22.785 -10.252 1.00 0.00 N ATOM 0 H LYS A 72 6.883 26.379 -5.396 1.00 0.00 H new ATOM 0 HA LYS A 72 6.701 25.818 -8.303 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.022 25.099 -7.423 1.00 0.00 H new ATOM 0 HB3 LYS A 72 8.160 23.913 -6.464 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.239 22.851 -8.440 1.00 0.00 H new ATOM 0 HG3 LYS A 72 7.777 24.159 -9.474 1.00 0.00 H new ATOM 0 HD2 LYS A 72 9.891 22.665 -7.936 1.00 0.00 H new ATOM 0 HD3 LYS A 72 9.123 21.826 -9.269 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.667 23.824 -10.754 1.00 0.00 H new ATOM 0 HE3 LYS A 72 10.564 24.517 -9.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 12.009 23.332 -10.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 11.997 22.569 -9.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 11.127 21.898 -10.701 1.00 0.00 H new ATOM 1207 N VAL A 73 5.100 23.796 -7.429 1.00 0.00 N ATOM 1208 CA VAL A 73 3.796 23.201 -7.104 1.00 0.00 C ATOM 1209 C VAL A 73 3.897 21.765 -7.568 1.00 0.00 C ATOM 1210 O VAL A 73 4.545 21.439 -8.571 1.00 0.00 O ATOM 1211 CB VAL A 73 2.539 23.875 -7.747 1.00 0.00 C ATOM 1212 CG1 VAL A 73 2.545 25.418 -7.733 1.00 0.00 C ATOM 1213 CG2 VAL A 73 2.196 23.431 -9.181 1.00 0.00 C ATOM 0 H VAL A 73 5.566 23.366 -8.228 1.00 0.00 H new ATOM 0 HA VAL A 73 3.625 23.331 -6.035 1.00 0.00 H new ATOM 0 HB VAL A 73 1.767 23.504 -7.072 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.633 25.790 -8.200 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.596 25.772 -6.703 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.411 25.784 -8.285 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.308 23.962 -9.524 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.033 23.658 -9.842 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.004 22.358 -9.194 1.00 0.00 H new ATOM 1223 N VAL A 74 3.427 20.887 -6.696 1.00 0.00 N ATOM 1224 CA VAL A 74 3.477 19.432 -6.869 1.00 0.00 C ATOM 1225 C VAL A 74 2.163 18.826 -6.384 1.00 0.00 C ATOM 1226 O VAL A 74 1.691 19.239 -5.320 1.00 0.00 O ATOM 1227 CB VAL A 74 4.664 18.752 -6.136 1.00 0.00 C ATOM 1228 CG1 VAL A 74 6.029 19.224 -6.643 1.00 0.00 C ATOM 1229 CG2 VAL A 74 4.657 18.918 -4.605 1.00 0.00 C ATOM 0 H VAL A 74 2.986 21.169 -5.821 1.00 0.00 H new ATOM 0 HA VAL A 74 3.630 19.248 -7.932 1.00 0.00 H new ATOM 0 HB VAL A 74 4.513 17.698 -6.371 1.00 0.00 H new ATOM 0 HG11 VAL A 74 6.818 18.713 -6.092 1.00 0.00 H new ATOM 0 HG12 VAL A 74 6.121 18.996 -7.705 1.00 0.00 H new ATOM 0 HG13 VAL A 74 6.120 20.300 -6.494 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.523 18.410 -4.180 1.00 0.00 H new ATOM 0 HG22 VAL A 74 4.698 19.978 -4.354 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.745 18.483 -4.196 1.00 0.00 H new ATOM 1239 N LYS A 75 1.729 17.780 -7.084 1.00 0.00 N ATOM 1240 CA LYS A 75 0.531 16.967 -6.821 1.00 0.00 C ATOM 1241 C LYS A 75 -0.788 17.751 -6.913 1.00 0.00 C ATOM 1242 O LYS A 75 -1.143 18.408 -5.937 1.00 0.00 O ATOM 1243 CB LYS A 75 0.691 16.212 -5.488 1.00 0.00 C ATOM 1244 CG LYS A 75 1.737 15.099 -5.579 1.00 0.00 C ATOM 1245 CD LYS A 75 1.137 13.822 -6.191 1.00 0.00 C ATOM 1246 CE LYS A 75 2.132 13.151 -7.138 1.00 0.00 C ATOM 1247 NZ LYS A 75 1.639 11.816 -7.560 1.00 0.00 N ATOM 0 H LYS A 75 2.235 17.451 -7.906 1.00 0.00 H new ATOM 0 HA LYS A 75 0.454 16.234 -7.624 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.977 16.915 -4.706 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -0.268 15.784 -5.197 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.578 15.435 -6.185 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.127 14.881 -4.585 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.861 13.129 -5.397 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.223 14.068 -6.732 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.288 13.780 -8.014 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.098 13.048 -6.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.330 11.378 -8.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.513 11.212 -6.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.728 11.921 -8.051 1.00 0.00 H new