USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 662 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 58 LYS NZ :NH3+ 149:sc= 1.25 (180deg=0.896) USER MOD Set 1.2: A 62 SER OG : rot 75:sc= 0.781 USER MOD Set 2.1: A 54 SER OG : rot 46:sc= 1.31 USER MOD Set 2.2: A 71 ASN : amide:sc= 0.861 K(o=2.2,f=1.1) USER MOD Set 3.1: A 41 ASN : amide:sc= 0.207 X(o=1.6,f=1.4) USER MOD Set 3.2: A 67 THR OG1 : rot 86:sc= 0.113 USER MOD Set 3.3: A 68 HIS : no HE2:sc= 1.27 K(o=1.6,f=-3.1!) USER MOD Single : A 1 ALA N :NH3+ 175:sc= 1.13 (180deg=1.11) USER MOD Single : A 3 HIS : no HE2:sc= 1.14 K(o=1.1,f=-3.4!) USER MOD Single : A 12 GLN : amide:sc= -0.0913 K(o=-0.091,f=-5.8!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 15 GLN : amide:sc= 0.929 K(o=0.93,f=0) USER MOD Single : A 17 HIS : no HE2:sc= 0.982 K(o=0.98,f=-3.2!) USER MOD Single : A 19 GLN : amide:sc= 0.65 K(o=0.65,f=0) USER MOD Single : A 23 ASN : amide:sc= 1.88 K(o=1.9,f=-0.48) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 38:sc= 0.798 USER MOD Single : A 40 LYS NZ :NH3+ -173:sc= 1.18 (180deg=1.14) USER MOD Single : A 43 THR OG1 : rot 100:sc= 0.98 USER MOD Single : A 45 LYS NZ :NH3+ 173:sc= 1.24 (180deg=1.18) USER MOD Single : A 47 TYR OH : rot 151:sc= 0.171 USER MOD Single : A 48 CYS SG : rot 32:sc= -2.57! USER MOD Single : A 49 ASN : amide:sc= -0.0821 K(o=-0.082,f=-0.94) USER MOD Single : A 53 GLN : amide:sc= 0.327 K(o=0.33,f=-6.6!) USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 64 MET CE :methyl -166:sc=-0.00972 (180deg=-0.29) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 172:sc= 0 (180deg=-0.105) USER MOD Single : A 82 LYS NZ :NH3+ 144:sc= 2.34 (180deg=1.01) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -2.175 1.173 -0.919 1.00 0.00 N ATOM 2 CA ALA A 1 -1.280 0.577 -1.931 1.00 0.00 C ATOM 3 C ALA A 1 -0.535 1.699 -2.666 1.00 0.00 C ATOM 4 O ALA A 1 -0.438 2.825 -2.166 1.00 0.00 O ATOM 5 CB ALA A 1 -2.063 -0.358 -2.876 1.00 0.00 C ATOM 0 H1 ALA A 1 -2.745 0.425 -0.476 1.00 0.00 H new ATOM 0 H2 ALA A 1 -1.606 1.652 -0.192 1.00 0.00 H new ATOM 0 H3 ALA A 1 -2.805 1.863 -1.376 1.00 0.00 H new ATOM 0 HA ALA A 1 -0.533 -0.052 -1.448 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -1.382 -0.785 -3.612 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -2.520 -1.160 -2.297 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -2.841 0.209 -3.387 1.00 0.00 H new ATOM 13 N GLU A 2 0.029 1.398 -3.837 1.00 0.00 N ATOM 14 CA GLU A 2 0.657 2.355 -4.736 1.00 0.00 C ATOM 15 C GLU A 2 0.306 1.945 -6.168 1.00 0.00 C ATOM 16 O GLU A 2 0.117 0.757 -6.450 1.00 0.00 O ATOM 17 CB GLU A 2 2.188 2.363 -4.563 1.00 0.00 C ATOM 18 CG GLU A 2 2.680 2.867 -3.200 1.00 0.00 C ATOM 19 CD GLU A 2 4.212 2.788 -3.099 1.00 0.00 C ATOM 20 OE1 GLU A 2 4.906 3.673 -3.649 1.00 0.00 O ATOM 21 OE2 GLU A 2 4.736 1.849 -2.455 1.00 0.00 O ATOM 0 H GLU A 2 0.060 0.443 -4.195 1.00 0.00 H new ATOM 0 HA GLU A 2 0.294 3.358 -4.512 1.00 0.00 H new ATOM 0 HB2 GLU A 2 2.562 1.351 -4.717 1.00 0.00 H new ATOM 0 HB3 GLU A 2 2.624 2.986 -5.344 1.00 0.00 H new ATOM 0 HG2 GLU A 2 2.356 3.897 -3.051 1.00 0.00 H new ATOM 0 HG3 GLU A 2 2.229 2.273 -2.405 1.00 0.00 H new ATOM 28 N HIS A 3 0.280 2.925 -7.070 1.00 0.00 N ATOM 29 CA HIS A 3 0.099 2.767 -8.505 1.00 0.00 C ATOM 30 C HIS A 3 1.019 3.771 -9.202 1.00 0.00 C ATOM 31 O HIS A 3 1.414 4.778 -8.606 1.00 0.00 O ATOM 32 CB HIS A 3 -1.373 3.015 -8.884 1.00 0.00 C ATOM 33 CG HIS A 3 -2.283 1.844 -8.598 1.00 0.00 C ATOM 34 ND1 HIS A 3 -3.023 1.620 -7.457 1.00 0.00 N ATOM 35 CD2 HIS A 3 -2.545 0.804 -9.451 1.00 0.00 C ATOM 36 CE1 HIS A 3 -3.701 0.474 -7.617 1.00 0.00 C ATOM 37 NE2 HIS A 3 -3.446 -0.068 -8.823 1.00 0.00 N ATOM 0 H HIS A 3 0.391 3.902 -6.800 1.00 0.00 H new ATOM 0 HA HIS A 3 0.351 1.753 -8.817 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -1.736 3.887 -8.340 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -1.429 3.256 -9.946 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -3.050 2.222 -6.634 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -2.128 0.677 -10.439 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -4.362 0.044 -6.879 1.00 0.00 H new ATOM 45 N TRP A 4 1.327 3.521 -10.472 1.00 0.00 N ATOM 46 CA TRP A 4 2.199 4.349 -11.292 1.00 0.00 C ATOM 47 C TRP A 4 1.483 4.640 -12.599 1.00 0.00 C ATOM 48 O TRP A 4 0.773 3.771 -13.108 1.00 0.00 O ATOM 49 CB TRP A 4 3.503 3.603 -11.586 1.00 0.00 C ATOM 50 CG TRP A 4 4.523 3.642 -10.494 1.00 0.00 C ATOM 51 CD1 TRP A 4 4.677 2.733 -9.506 1.00 0.00 C ATOM 52 CD2 TRP A 4 5.556 4.647 -10.274 1.00 0.00 C ATOM 53 NE1 TRP A 4 5.733 3.102 -8.696 1.00 0.00 N ATOM 54 CE2 TRP A 4 6.321 4.271 -9.131 1.00 0.00 C ATOM 55 CE3 TRP A 4 5.924 5.839 -10.934 1.00 0.00 C ATOM 56 CZ2 TRP A 4 7.408 5.034 -8.677 1.00 0.00 C ATOM 57 CZ3 TRP A 4 7.014 6.611 -10.489 1.00 0.00 C ATOM 58 CH2 TRP A 4 7.760 6.206 -9.367 1.00 0.00 C ATOM 0 H TRP A 4 0.963 2.710 -10.972 1.00 0.00 H new ATOM 0 HA TRP A 4 2.433 5.275 -10.768 1.00 0.00 H new ATOM 0 HB2 TRP A 4 3.265 2.561 -11.801 1.00 0.00 H new ATOM 0 HB3 TRP A 4 3.946 4.022 -12.489 1.00 0.00 H new ATOM 0 HD1 TRP A 4 4.067 1.852 -9.370 1.00 0.00 H new ATOM 0 HE1 TRP A 4 6.040 2.575 -7.878 1.00 0.00 H new ATOM 0 HE3 TRP A 4 5.360 6.165 -11.795 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 7.968 4.724 -7.807 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 7.279 7.518 -11.011 1.00 0.00 H new ATOM 0 HH2 TRP A 4 8.602 6.796 -9.036 1.00 0.00 H new ATOM 69 N ILE A 5 1.692 5.830 -13.162 1.00 0.00 N ATOM 70 CA ILE A 5 1.108 6.241 -14.433 1.00 0.00 C ATOM 71 C ILE A 5 2.130 7.152 -15.123 1.00 0.00 C ATOM 72 O ILE A 5 2.725 8.027 -14.491 1.00 0.00 O ATOM 73 CB ILE A 5 -0.260 6.937 -14.200 1.00 0.00 C ATOM 74 CG1 ILE A 5 -1.246 6.007 -13.453 1.00 0.00 C ATOM 75 CG2 ILE A 5 -0.873 7.398 -15.532 1.00 0.00 C ATOM 76 CD1 ILE A 5 -2.641 6.571 -13.224 1.00 0.00 C ATOM 0 H ILE A 5 2.282 6.546 -12.738 1.00 0.00 H new ATOM 0 HA ILE A 5 0.899 5.386 -15.076 1.00 0.00 H new ATOM 0 HB ILE A 5 -0.079 7.812 -13.576 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -1.338 5.078 -14.016 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -0.814 5.752 -12.485 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.831 7.883 -15.343 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -0.199 8.103 -16.018 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -1.025 6.535 -16.181 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -3.248 5.837 -12.693 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -2.572 7.482 -12.630 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -3.104 6.798 -14.184 1.00 0.00 H new ATOM 88 N ASP A 6 2.334 6.930 -16.419 1.00 0.00 N ATOM 89 CA ASP A 6 3.079 7.817 -17.305 1.00 0.00 C ATOM 90 C ASP A 6 2.059 8.789 -17.881 1.00 0.00 C ATOM 91 O ASP A 6 1.070 8.347 -18.468 1.00 0.00 O ATOM 92 CB ASP A 6 3.698 7.002 -18.446 1.00 0.00 C ATOM 93 CG ASP A 6 4.066 7.843 -19.681 1.00 0.00 C ATOM 94 OD1 ASP A 6 4.350 9.055 -19.568 1.00 0.00 O ATOM 95 OD2 ASP A 6 4.060 7.254 -20.781 1.00 0.00 O ATOM 0 H ASP A 6 1.974 6.103 -16.895 1.00 0.00 H new ATOM 0 HA ASP A 6 3.879 8.333 -16.774 1.00 0.00 H new ATOM 0 HB2 ASP A 6 4.594 6.502 -18.078 1.00 0.00 H new ATOM 0 HB3 ASP A 6 2.998 6.222 -18.745 1.00 0.00 H new ATOM 100 N VAL A 7 2.289 10.090 -17.729 1.00 0.00 N ATOM 101 CA VAL A 7 1.329 11.119 -18.125 1.00 0.00 C ATOM 102 C VAL A 7 1.866 12.011 -19.257 1.00 0.00 C ATOM 103 O VAL A 7 1.344 13.104 -19.479 1.00 0.00 O ATOM 104 CB VAL A 7 0.761 11.849 -16.882 1.00 0.00 C ATOM 105 CG1 VAL A 7 0.097 10.868 -15.902 1.00 0.00 C ATOM 106 CG2 VAL A 7 1.815 12.638 -16.097 1.00 0.00 C ATOM 0 H VAL A 7 3.149 10.463 -17.327 1.00 0.00 H new ATOM 0 HA VAL A 7 0.460 10.647 -18.583 1.00 0.00 H new ATOM 0 HB VAL A 7 0.030 12.547 -17.290 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.289 11.417 -15.043 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -0.723 10.353 -16.402 1.00 0.00 H new ATOM 0 HG13 VAL A 7 0.832 10.137 -15.565 1.00 0.00 H new ATOM 0 HG21 VAL A 7 1.344 13.122 -15.241 1.00 0.00 H new ATOM 0 HG22 VAL A 7 2.592 11.959 -15.747 1.00 0.00 H new ATOM 0 HG23 VAL A 7 2.259 13.395 -16.743 1.00 0.00 H new ATOM 116 N ARG A 8 2.860 11.546 -20.025 1.00 0.00 N ATOM 117 CA ARG A 8 3.326 12.222 -21.239 1.00 0.00 C ATOM 118 C ARG A 8 2.821 11.455 -22.461 1.00 0.00 C ATOM 119 O ARG A 8 1.982 10.560 -22.347 1.00 0.00 O ATOM 120 CB ARG A 8 4.865 12.355 -21.233 1.00 0.00 C ATOM 121 CG ARG A 8 5.318 13.694 -21.847 1.00 0.00 C ATOM 122 CD ARG A 8 6.837 13.748 -22.078 1.00 0.00 C ATOM 123 NE ARG A 8 7.217 13.868 -23.503 1.00 0.00 N ATOM 124 CZ ARG A 8 7.210 14.989 -24.240 1.00 0.00 C ATOM 125 NH1 ARG A 8 6.730 16.127 -23.741 1.00 0.00 N ATOM 126 NH2 ARG A 8 7.678 14.971 -25.482 1.00 0.00 N ATOM 0 H ARG A 8 3.366 10.684 -19.819 1.00 0.00 H new ATOM 0 HA ARG A 8 2.924 13.235 -21.277 1.00 0.00 H new ATOM 0 HB2 ARG A 8 5.234 12.279 -20.210 1.00 0.00 H new ATOM 0 HB3 ARG A 8 5.305 11.529 -21.793 1.00 0.00 H new ATOM 0 HG2 ARG A 8 4.803 13.849 -22.795 1.00 0.00 H new ATOM 0 HG3 ARG A 8 5.024 14.511 -21.188 1.00 0.00 H new ATOM 0 HD2 ARG A 8 7.250 14.594 -21.528 1.00 0.00 H new ATOM 0 HD3 ARG A 8 7.291 12.847 -21.664 1.00 0.00 H new ATOM 0 HE ARG A 8 7.514 13.012 -23.972 1.00 0.00 H new ATOM 0 HH11 ARG A 8 6.363 16.152 -22.790 1.00 0.00 H new ATOM 0 HH12 ARG A 8 6.730 16.973 -24.310 1.00 0.00 H new ATOM 0 HH21 ARG A 8 8.043 14.104 -25.877 1.00 0.00 H new ATOM 0 HH22 ARG A 8 7.672 15.824 -26.042 1.00 0.00 H new ATOM 140 N VAL A 9 3.310 11.817 -23.644 1.00 0.00 N ATOM 141 CA VAL A 9 3.063 11.071 -24.872 1.00 0.00 C ATOM 142 C VAL A 9 3.744 9.687 -24.805 1.00 0.00 C ATOM 143 O VAL A 9 4.744 9.539 -24.095 1.00 0.00 O ATOM 144 CB VAL A 9 3.564 11.891 -26.081 1.00 0.00 C ATOM 145 CG1 VAL A 9 2.569 13.008 -26.424 1.00 0.00 C ATOM 146 CG2 VAL A 9 4.953 12.514 -25.846 1.00 0.00 C ATOM 0 H VAL A 9 3.893 12.643 -23.777 1.00 0.00 H new ATOM 0 HA VAL A 9 1.992 10.904 -24.990 1.00 0.00 H new ATOM 0 HB VAL A 9 3.647 11.190 -26.911 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.939 13.575 -27.278 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.602 12.570 -26.670 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.459 13.673 -25.567 1.00 0.00 H new ATOM 0 HG21 VAL A 9 5.253 13.078 -26.729 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.911 13.182 -24.986 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.679 11.723 -25.657 1.00 0.00 H new ATOM 156 N PRO A 10 3.280 8.693 -25.590 1.00 0.00 N ATOM 157 CA PRO A 10 3.930 7.388 -25.738 1.00 0.00 C ATOM 158 C PRO A 10 5.413 7.431 -26.130 1.00 0.00 C ATOM 159 O PRO A 10 6.100 6.427 -25.974 1.00 0.00 O ATOM 160 CB PRO A 10 3.133 6.640 -26.811 1.00 0.00 C ATOM 161 CG PRO A 10 1.745 7.264 -26.730 1.00 0.00 C ATOM 162 CD PRO A 10 2.036 8.715 -26.354 1.00 0.00 C ATOM 0 HA PRO A 10 3.927 6.898 -24.764 1.00 0.00 H new ATOM 0 HB2 PRO A 10 3.573 6.769 -27.800 1.00 0.00 H new ATOM 0 HB3 PRO A 10 3.103 5.569 -26.613 1.00 0.00 H new ATOM 0 HG2 PRO A 10 1.215 7.193 -27.680 1.00 0.00 H new ATOM 0 HG3 PRO A 10 1.125 6.771 -25.982 1.00 0.00 H new ATOM 0 HD2 PRO A 10 2.136 9.336 -27.244 1.00 0.00 H new ATOM 0 HD3 PRO A 10 1.223 9.135 -25.762 1.00 0.00 H new ATOM 170 N GLU A 11 5.919 8.561 -26.632 1.00 0.00 N ATOM 171 CA GLU A 11 7.314 8.755 -27.016 1.00 0.00 C ATOM 172 C GLU A 11 8.279 8.316 -25.908 1.00 0.00 C ATOM 173 O GLU A 11 9.291 7.678 -26.210 1.00 0.00 O ATOM 174 CB GLU A 11 7.497 10.245 -27.345 1.00 0.00 C ATOM 175 CG GLU A 11 8.918 10.657 -27.748 1.00 0.00 C ATOM 176 CD GLU A 11 9.025 12.187 -27.881 1.00 0.00 C ATOM 177 OE1 GLU A 11 8.872 12.895 -26.859 1.00 0.00 O ATOM 178 OE2 GLU A 11 9.273 12.689 -29.001 1.00 0.00 O ATOM 0 H GLU A 11 5.347 9.392 -26.786 1.00 0.00 H new ATOM 0 HA GLU A 11 7.547 8.137 -27.883 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.817 10.508 -28.155 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.199 10.831 -26.476 1.00 0.00 H new ATOM 0 HG2 GLU A 11 9.630 10.301 -27.003 1.00 0.00 H new ATOM 0 HG3 GLU A 11 9.184 10.185 -28.694 1.00 0.00 H new ATOM 185 N GLN A 12 7.982 8.627 -24.636 1.00 0.00 N ATOM 186 CA GLN A 12 8.806 8.120 -23.542 1.00 0.00 C ATOM 187 C GLN A 12 8.502 6.640 -23.303 1.00 0.00 C ATOM 188 O GLN A 12 9.431 5.844 -23.218 1.00 0.00 O ATOM 189 CB GLN A 12 8.711 8.970 -22.262 1.00 0.00 C ATOM 190 CG GLN A 12 7.322 9.155 -21.633 1.00 0.00 C ATOM 191 CD GLN A 12 7.458 9.744 -20.226 1.00 0.00 C ATOM 192 OE1 GLN A 12 7.665 10.944 -20.060 1.00 0.00 O ATOM 193 NE2 GLN A 12 7.421 8.913 -19.192 1.00 0.00 N ATOM 0 H GLN A 12 7.197 9.212 -24.350 1.00 0.00 H new ATOM 0 HA GLN A 12 9.850 8.206 -23.844 1.00 0.00 H new ATOM 0 HB2 GLN A 12 9.363 8.522 -21.512 1.00 0.00 H new ATOM 0 HB3 GLN A 12 9.114 9.958 -22.484 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.717 9.814 -22.255 1.00 0.00 H new ATOM 0 HG3 GLN A 12 6.804 8.197 -21.587 1.00 0.00 H new ATOM 0 HE21 GLN A 12 7.248 7.919 -19.342 1.00 0.00 H new ATOM 0 HE22 GLN A 12 7.565 9.268 -18.247 1.00 0.00 H new ATOM 202 N TYR A 13 7.221 6.253 -23.273 1.00 0.00 N ATOM 203 CA TYR A 13 6.784 4.901 -22.937 1.00 0.00 C ATOM 204 C TYR A 13 7.461 3.839 -23.807 1.00 0.00 C ATOM 205 O TYR A 13 7.831 2.772 -23.311 1.00 0.00 O ATOM 206 CB TYR A 13 5.257 4.812 -23.065 1.00 0.00 C ATOM 207 CG TYR A 13 4.638 3.628 -22.348 1.00 0.00 C ATOM 208 CD1 TYR A 13 4.344 3.718 -20.974 1.00 0.00 C ATOM 209 CD2 TYR A 13 4.336 2.448 -23.055 1.00 0.00 C ATOM 210 CE1 TYR A 13 3.744 2.638 -20.306 1.00 0.00 C ATOM 211 CE2 TYR A 13 3.729 1.364 -22.394 1.00 0.00 C ATOM 212 CZ TYR A 13 3.426 1.457 -21.015 1.00 0.00 C ATOM 213 OH TYR A 13 2.810 0.427 -20.368 1.00 0.00 O ATOM 0 H TYR A 13 6.449 6.885 -23.486 1.00 0.00 H new ATOM 0 HA TYR A 13 7.080 4.698 -21.908 1.00 0.00 H new ATOM 0 HB2 TYR A 13 4.817 5.729 -22.673 1.00 0.00 H new ATOM 0 HB3 TYR A 13 4.995 4.759 -24.122 1.00 0.00 H new ATOM 0 HD1 TYR A 13 4.581 4.621 -20.431 1.00 0.00 H new ATOM 0 HD2 TYR A 13 4.571 2.375 -24.107 1.00 0.00 H new ATOM 0 HE1 TYR A 13 3.526 2.710 -19.251 1.00 0.00 H new ATOM 0 HE2 TYR A 13 3.495 0.462 -22.939 1.00 0.00 H new ATOM 0 HH TYR A 13 2.660 -0.310 -20.996 1.00 0.00 H new ATOM 223 N GLN A 14 7.643 4.149 -25.092 1.00 0.00 N ATOM 224 CA GLN A 14 8.313 3.298 -26.060 1.00 0.00 C ATOM 225 C GLN A 14 9.759 3.020 -25.637 1.00 0.00 C ATOM 226 O GLN A 14 10.173 1.859 -25.613 1.00 0.00 O ATOM 227 CB GLN A 14 8.273 3.988 -27.435 1.00 0.00 C ATOM 228 CG GLN A 14 6.868 3.963 -28.060 1.00 0.00 C ATOM 229 CD GLN A 14 6.741 4.804 -29.334 1.00 0.00 C ATOM 230 OE1 GLN A 14 7.710 5.323 -29.886 1.00 0.00 O ATOM 231 NE2 GLN A 14 5.528 4.961 -29.838 1.00 0.00 N ATOM 0 H GLN A 14 7.316 5.028 -25.494 1.00 0.00 H new ATOM 0 HA GLN A 14 7.799 2.338 -26.115 1.00 0.00 H new ATOM 0 HB2 GLN A 14 8.603 5.021 -27.330 1.00 0.00 H new ATOM 0 HB3 GLN A 14 8.976 3.495 -28.107 1.00 0.00 H new ATOM 0 HG2 GLN A 14 6.601 2.931 -28.289 1.00 0.00 H new ATOM 0 HG3 GLN A 14 6.148 4.323 -27.325 1.00 0.00 H new ATOM 0 HE21 GLN A 14 4.725 4.530 -29.379 1.00 0.00 H new ATOM 0 HE22 GLN A 14 5.395 5.513 -30.685 1.00 0.00 H new ATOM 240 N GLN A 15 10.527 4.065 -25.310 1.00 0.00 N ATOM 241 CA GLN A 15 11.965 3.940 -25.092 1.00 0.00 C ATOM 242 C GLN A 15 12.285 3.485 -23.666 1.00 0.00 C ATOM 243 O GLN A 15 13.178 2.655 -23.508 1.00 0.00 O ATOM 244 CB GLN A 15 12.701 5.227 -25.509 1.00 0.00 C ATOM 245 CG GLN A 15 12.287 6.498 -24.756 1.00 0.00 C ATOM 246 CD GLN A 15 12.867 7.754 -25.405 1.00 0.00 C ATOM 247 OE1 GLN A 15 14.047 8.067 -25.259 1.00 0.00 O ATOM 248 NE2 GLN A 15 12.053 8.498 -26.138 1.00 0.00 N ATOM 0 H GLN A 15 10.169 5.013 -25.191 1.00 0.00 H new ATOM 0 HA GLN A 15 12.343 3.149 -25.740 1.00 0.00 H new ATOM 0 HB2 GLN A 15 13.771 5.075 -25.368 1.00 0.00 H new ATOM 0 HB3 GLN A 15 12.539 5.388 -26.575 1.00 0.00 H new ATOM 0 HG2 GLN A 15 11.200 6.569 -24.733 1.00 0.00 H new ATOM 0 HG3 GLN A 15 12.624 6.434 -23.721 1.00 0.00 H new ATOM 0 HE21 GLN A 15 11.076 8.226 -26.251 1.00 0.00 H new ATOM 0 HE22 GLN A 15 12.403 9.343 -26.590 1.00 0.00 H new ATOM 257 N GLU A 16 11.559 3.958 -22.647 1.00 0.00 N ATOM 258 CA GLU A 16 11.610 3.442 -21.280 1.00 0.00 C ATOM 259 C GLU A 16 10.453 4.038 -20.468 1.00 0.00 C ATOM 260 O GLU A 16 10.168 5.235 -20.546 1.00 0.00 O ATOM 261 CB GLU A 16 12.968 3.713 -20.584 1.00 0.00 C ATOM 262 CG GLU A 16 13.391 5.192 -20.527 1.00 0.00 C ATOM 263 CD GLU A 16 14.798 5.390 -19.937 1.00 0.00 C ATOM 264 OE1 GLU A 16 15.799 4.979 -20.570 1.00 0.00 O ATOM 265 OE2 GLU A 16 14.913 5.993 -18.845 1.00 0.00 O ATOM 0 H GLU A 16 10.903 4.731 -22.756 1.00 0.00 H new ATOM 0 HA GLU A 16 11.507 2.358 -21.331 1.00 0.00 H new ATOM 0 HB2 GLU A 16 12.920 3.326 -19.566 1.00 0.00 H new ATOM 0 HB3 GLU A 16 13.743 3.150 -21.103 1.00 0.00 H new ATOM 0 HG2 GLU A 16 13.362 5.612 -21.532 1.00 0.00 H new ATOM 0 HG3 GLU A 16 12.670 5.748 -19.928 1.00 0.00 H new ATOM 272 N HIS A 17 9.821 3.219 -19.632 1.00 0.00 N ATOM 273 CA HIS A 17 8.813 3.624 -18.666 1.00 0.00 C ATOM 274 C HIS A 17 9.128 2.937 -17.345 1.00 0.00 C ATOM 275 O HIS A 17 9.621 1.809 -17.327 1.00 0.00 O ATOM 276 CB HIS A 17 7.401 3.273 -19.161 1.00 0.00 C ATOM 277 CG HIS A 17 7.182 1.844 -19.599 1.00 0.00 C ATOM 278 ND1 HIS A 17 7.200 1.369 -20.892 1.00 0.00 N ATOM 279 CD2 HIS A 17 6.804 0.802 -18.794 1.00 0.00 C ATOM 280 CE1 HIS A 17 6.832 0.079 -20.864 1.00 0.00 C ATOM 281 NE2 HIS A 17 6.585 -0.320 -19.603 1.00 0.00 N ATOM 0 H HIS A 17 10.007 2.216 -19.611 1.00 0.00 H new ATOM 0 HA HIS A 17 8.834 4.706 -18.532 1.00 0.00 H new ATOM 0 HB2 HIS A 17 6.693 3.499 -18.364 1.00 0.00 H new ATOM 0 HB3 HIS A 17 7.159 3.928 -19.998 1.00 0.00 H new ATOM 0 HD1 HIS A 17 7.449 1.904 -21.724 1.00 0.00 H new ATOM 0 HD2 HIS A 17 6.694 0.839 -17.720 1.00 0.00 H new ATOM 0 HE1 HIS A 17 6.746 -0.553 -21.735 1.00 0.00 H new ATOM 289 N VAL A 18 8.852 3.618 -16.237 1.00 0.00 N ATOM 290 CA VAL A 18 8.964 3.059 -14.897 1.00 0.00 C ATOM 291 C VAL A 18 8.036 1.840 -14.834 1.00 0.00 C ATOM 292 O VAL A 18 6.899 1.902 -15.313 1.00 0.00 O ATOM 293 CB VAL A 18 8.623 4.165 -13.877 1.00 0.00 C ATOM 294 CG1 VAL A 18 8.638 3.640 -12.434 1.00 0.00 C ATOM 295 CG2 VAL A 18 9.627 5.329 -13.978 1.00 0.00 C ATOM 0 H VAL A 18 8.539 4.589 -16.247 1.00 0.00 H new ATOM 0 HA VAL A 18 9.970 2.718 -14.654 1.00 0.00 H new ATOM 0 HB VAL A 18 7.618 4.510 -14.120 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.393 4.452 -11.749 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.903 2.842 -12.329 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.629 3.253 -12.198 1.00 0.00 H new ATOM 0 HG21 VAL A 18 9.368 6.098 -13.250 1.00 0.00 H new ATOM 0 HG22 VAL A 18 10.633 4.961 -13.774 1.00 0.00 H new ATOM 0 HG23 VAL A 18 9.592 5.753 -14.981 1.00 0.00 H new ATOM 305 N GLN A 19 8.521 0.719 -14.289 1.00 0.00 N ATOM 306 CA GLN A 19 7.726 -0.503 -14.211 1.00 0.00 C ATOM 307 C GLN A 19 6.417 -0.238 -13.461 1.00 0.00 C ATOM 308 O GLN A 19 6.394 0.521 -12.488 1.00 0.00 O ATOM 309 CB GLN A 19 8.546 -1.659 -13.610 1.00 0.00 C ATOM 310 CG GLN A 19 9.100 -1.462 -12.191 1.00 0.00 C ATOM 311 CD GLN A 19 8.237 -2.090 -11.091 1.00 0.00 C ATOM 312 OE1 GLN A 19 8.470 -3.220 -10.670 1.00 0.00 O ATOM 313 NE2 GLN A 19 7.233 -1.388 -10.592 1.00 0.00 N ATOM 0 H GLN A 19 9.459 0.637 -13.897 1.00 0.00 H new ATOM 0 HA GLN A 19 7.455 -0.819 -15.218 1.00 0.00 H new ATOM 0 HB2 GLN A 19 7.920 -2.552 -13.608 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.385 -1.860 -14.276 1.00 0.00 H new ATOM 0 HG2 GLN A 19 10.102 -1.889 -12.141 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.199 -0.394 -11.996 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.042 -0.450 -10.944 1.00 0.00 H new ATOM 0 HE22 GLN A 19 6.650 -1.785 -9.855 1.00 0.00 H new ATOM 322 N GLY A 20 5.330 -0.867 -13.908 1.00 0.00 N ATOM 323 CA GLY A 20 4.005 -0.718 -13.317 1.00 0.00 C ATOM 324 C GLY A 20 3.238 0.493 -13.858 1.00 0.00 C ATOM 325 O GLY A 20 2.014 0.530 -13.719 1.00 0.00 O ATOM 0 H GLY A 20 5.348 -1.504 -14.704 1.00 0.00 H new ATOM 0 HA2 GLY A 20 3.426 -1.622 -13.506 1.00 0.00 H new ATOM 0 HA3 GLY A 20 4.105 -0.624 -12.236 1.00 0.00 H new ATOM 329 N ALA A 21 3.913 1.468 -14.483 1.00 0.00 N ATOM 330 CA ALA A 21 3.250 2.577 -15.158 1.00 0.00 C ATOM 331 C ALA A 21 2.489 2.086 -16.388 1.00 0.00 C ATOM 332 O ALA A 21 2.745 1.007 -16.926 1.00 0.00 O ATOM 333 CB ALA A 21 4.277 3.638 -15.565 1.00 0.00 C ATOM 0 H ALA A 21 4.931 1.504 -14.531 1.00 0.00 H new ATOM 0 HA ALA A 21 2.535 3.021 -14.465 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.770 4.461 -16.068 1.00 0.00 H new ATOM 0 HB2 ALA A 21 4.784 4.013 -14.676 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.009 3.196 -16.241 1.00 0.00 H new ATOM 339 N ILE A 22 1.594 2.950 -16.850 1.00 0.00 N ATOM 340 CA ILE A 22 0.707 2.785 -17.987 1.00 0.00 C ATOM 341 C ILE A 22 0.577 4.182 -18.598 1.00 0.00 C ATOM 342 O ILE A 22 0.518 5.165 -17.854 1.00 0.00 O ATOM 343 CB ILE A 22 -0.652 2.198 -17.520 1.00 0.00 C ATOM 344 CG1 ILE A 22 -1.220 2.888 -16.250 1.00 0.00 C ATOM 345 CG2 ILE A 22 -0.513 0.679 -17.303 1.00 0.00 C ATOM 346 CD1 ILE A 22 -2.590 2.356 -15.814 1.00 0.00 C ATOM 0 H ILE A 22 1.462 3.856 -16.401 1.00 0.00 H new ATOM 0 HA ILE A 22 1.086 2.082 -18.729 1.00 0.00 H new ATOM 0 HB ILE A 22 -1.374 2.395 -18.312 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -0.513 2.758 -15.431 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -1.299 3.959 -16.435 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -1.468 0.269 -16.975 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.216 0.204 -18.238 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.244 0.488 -16.542 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.919 2.887 -14.921 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.312 2.511 -16.615 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -2.514 1.291 -15.595 1.00 0.00 H new ATOM 358 N ASN A 23 0.609 4.291 -19.928 1.00 0.00 N ATOM 359 CA ASN A 23 0.564 5.585 -20.607 1.00 0.00 C ATOM 360 C ASN A 23 -0.866 6.124 -20.594 1.00 0.00 C ATOM 361 O ASN A 23 -1.751 5.532 -21.217 1.00 0.00 O ATOM 362 CB ASN A 23 1.085 5.479 -22.047 1.00 0.00 C ATOM 363 CG ASN A 23 0.980 6.842 -22.722 1.00 0.00 C ATOM 364 OD1 ASN A 23 0.065 7.099 -23.495 1.00 0.00 O ATOM 365 ND2 ASN A 23 1.883 7.749 -22.407 1.00 0.00 N ATOM 0 H ASN A 23 0.666 3.491 -20.559 1.00 0.00 H new ATOM 0 HA ASN A 23 1.215 6.277 -20.072 1.00 0.00 H new ATOM 0 HB2 ASN A 23 2.121 5.139 -22.047 1.00 0.00 H new ATOM 0 HB3 ASN A 23 0.507 4.740 -22.602 1.00 0.00 H new ATOM 0 HD21 ASN A 23 1.828 8.685 -22.809 1.00 0.00 H new ATOM 0 HD22 ASN A 23 2.637 7.515 -21.761 1.00 0.00 H new ATOM 372 N ILE A 24 -1.088 7.239 -19.899 1.00 0.00 N ATOM 373 CA ILE A 24 -2.361 7.953 -19.816 1.00 0.00 C ATOM 374 C ILE A 24 -2.011 9.456 -19.839 1.00 0.00 C ATOM 375 O ILE A 24 -1.814 10.044 -18.776 1.00 0.00 O ATOM 376 CB ILE A 24 -3.174 7.538 -18.561 1.00 0.00 C ATOM 377 CG1 ILE A 24 -3.359 6.005 -18.440 1.00 0.00 C ATOM 378 CG2 ILE A 24 -4.547 8.231 -18.606 1.00 0.00 C ATOM 379 CD1 ILE A 24 -4.170 5.555 -17.221 1.00 0.00 C ATOM 0 H ILE A 24 -0.352 7.689 -19.354 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.013 7.705 -20.654 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.610 7.852 -17.683 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.850 5.639 -19.342 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.376 5.536 -18.399 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.127 7.946 -17.728 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.409 9.312 -18.615 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -5.079 7.926 -19.507 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -4.249 4.468 -17.217 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.671 5.886 -16.310 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.168 5.991 -17.267 1.00 0.00 H new ATOM 391 N PRO A 25 -1.848 10.069 -21.028 1.00 0.00 N ATOM 392 CA PRO A 25 -1.315 11.422 -21.181 1.00 0.00 C ATOM 393 C PRO A 25 -2.052 12.491 -20.368 1.00 0.00 C ATOM 394 O PRO A 25 -3.241 12.363 -20.074 1.00 0.00 O ATOM 395 CB PRO A 25 -1.387 11.730 -22.681 1.00 0.00 C ATOM 396 CG PRO A 25 -1.317 10.349 -23.325 1.00 0.00 C ATOM 397 CD PRO A 25 -2.090 9.482 -22.337 1.00 0.00 C ATOM 0 HA PRO A 25 -0.298 11.452 -20.790 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -2.309 12.249 -22.941 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -0.562 12.366 -23.001 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -1.773 10.340 -24.315 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -0.288 10.009 -23.444 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -3.154 9.474 -22.572 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -1.748 8.448 -22.372 1.00 0.00 H new ATOM 405 N LEU A 26 -1.361 13.601 -20.096 1.00 0.00 N ATOM 406 CA LEU A 26 -1.831 14.763 -19.339 1.00 0.00 C ATOM 407 C LEU A 26 -3.224 15.241 -19.768 1.00 0.00 C ATOM 408 O LEU A 26 -4.045 15.578 -18.918 1.00 0.00 O ATOM 409 CB LEU A 26 -0.783 15.885 -19.512 1.00 0.00 C ATOM 410 CG LEU A 26 -1.128 17.229 -18.838 1.00 0.00 C ATOM 411 CD1 LEU A 26 -1.205 17.095 -17.318 1.00 0.00 C ATOM 412 CD2 LEU A 26 -0.059 18.273 -19.180 1.00 0.00 C ATOM 0 H LEU A 26 -0.400 13.719 -20.418 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.936 14.481 -18.291 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.169 15.533 -19.114 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.637 16.060 -20.578 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.103 17.540 -19.213 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.450 18.062 -16.879 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.977 16.371 -17.055 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.243 16.755 -16.933 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.309 19.220 -18.701 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.912 17.930 -18.822 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.019 18.412 -20.260 1.00 0.00 H new ATOM 424 N LYS A 27 -3.505 15.259 -21.075 1.00 0.00 N ATOM 425 CA LYS A 27 -4.781 15.741 -21.612 1.00 0.00 C ATOM 426 C LYS A 27 -5.939 14.763 -21.365 1.00 0.00 C ATOM 427 O LYS A 27 -7.092 15.129 -21.586 1.00 0.00 O ATOM 428 CB LYS A 27 -4.640 16.028 -23.120 1.00 0.00 C ATOM 429 CG LYS A 27 -3.536 17.039 -23.491 1.00 0.00 C ATOM 430 CD LYS A 27 -3.639 18.412 -22.800 1.00 0.00 C ATOM 431 CE LYS A 27 -4.966 19.153 -23.043 1.00 0.00 C ATOM 432 NZ LYS A 27 -5.148 19.572 -24.457 1.00 0.00 N ATOM 0 H LYS A 27 -2.853 14.939 -21.791 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.026 16.660 -21.080 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.440 15.089 -23.636 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -5.594 16.401 -23.494 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.568 16.600 -23.248 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.554 17.192 -24.570 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.506 18.275 -21.727 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.818 19.041 -23.146 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.795 18.507 -22.752 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.007 20.033 -22.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.058 20.065 -24.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.375 20.211 -24.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.138 18.733 -25.072 1.00 0.00 H new ATOM 446 N GLU A 28 -5.659 13.538 -20.917 1.00 0.00 N ATOM 447 CA GLU A 28 -6.613 12.433 -20.843 1.00 0.00 C ATOM 448 C GLU A 28 -6.712 11.875 -19.413 1.00 0.00 C ATOM 449 O GLU A 28 -7.717 11.259 -19.053 1.00 0.00 O ATOM 450 CB GLU A 28 -6.163 11.329 -21.820 1.00 0.00 C ATOM 451 CG GLU A 28 -5.918 11.779 -23.271 1.00 0.00 C ATOM 452 CD GLU A 28 -7.149 12.421 -23.941 1.00 0.00 C ATOM 453 OE1 GLU A 28 -8.268 11.869 -23.846 1.00 0.00 O ATOM 454 OE2 GLU A 28 -6.993 13.461 -24.621 1.00 0.00 O ATOM 0 H GLU A 28 -4.730 13.280 -20.585 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.603 12.796 -21.119 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.245 10.884 -21.438 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.920 10.544 -21.826 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.095 12.493 -23.286 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.603 10.918 -23.860 1.00 0.00 H new ATOM 461 N VAL A 29 -5.693 12.104 -18.579 1.00 0.00 N ATOM 462 CA VAL A 29 -5.598 11.616 -17.203 1.00 0.00 C ATOM 463 C VAL A 29 -6.849 11.942 -16.371 1.00 0.00 C ATOM 464 O VAL A 29 -7.229 11.148 -15.511 1.00 0.00 O ATOM 465 CB VAL A 29 -4.281 12.144 -16.571 1.00 0.00 C ATOM 466 CG1 VAL A 29 -4.375 13.575 -16.015 1.00 0.00 C ATOM 467 CG2 VAL A 29 -3.774 11.193 -15.479 1.00 0.00 C ATOM 0 H VAL A 29 -4.881 12.656 -18.856 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.560 10.527 -17.212 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.567 12.180 -17.394 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.413 13.865 -15.592 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.640 14.261 -16.819 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.139 13.614 -15.239 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.851 11.587 -15.053 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.526 11.105 -14.695 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.584 10.211 -15.911 1.00 0.00 H new ATOM 477 N LYS A 30 -7.494 13.085 -16.642 1.00 0.00 N ATOM 478 CA LYS A 30 -8.577 13.643 -15.835 1.00 0.00 C ATOM 479 C LYS A 30 -9.699 12.629 -15.644 1.00 0.00 C ATOM 480 O LYS A 30 -10.183 12.485 -14.524 1.00 0.00 O ATOM 481 CB LYS A 30 -9.053 14.955 -16.488 1.00 0.00 C ATOM 482 CG LYS A 30 -9.939 15.852 -15.604 1.00 0.00 C ATOM 483 CD LYS A 30 -11.437 15.510 -15.642 1.00 0.00 C ATOM 484 CE LYS A 30 -12.235 16.604 -14.919 1.00 0.00 C ATOM 485 NZ LYS A 30 -13.695 16.329 -14.913 1.00 0.00 N ATOM 0 H LYS A 30 -7.267 13.660 -17.453 1.00 0.00 H new ATOM 0 HA LYS A 30 -8.219 13.874 -14.832 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -8.177 15.527 -16.793 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.605 14.709 -17.395 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -9.590 15.782 -14.574 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -9.809 16.888 -15.915 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -11.774 15.423 -16.675 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -11.612 14.545 -15.167 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -11.880 16.690 -13.892 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -12.051 17.564 -15.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -14.191 17.095 -14.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -14.042 16.273 -15.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -13.876 15.427 -14.429 1.00 0.00 H new ATOM 499 N GLU A 31 -10.101 11.912 -16.697 1.00 0.00 N ATOM 500 CA GLU A 31 -11.146 10.900 -16.585 1.00 0.00 C ATOM 501 C GLU A 31 -10.528 9.520 -16.340 1.00 0.00 C ATOM 502 O GLU A 31 -10.985 8.780 -15.466 1.00 0.00 O ATOM 503 CB GLU A 31 -12.026 10.857 -17.847 1.00 0.00 C ATOM 504 CG GLU A 31 -12.644 12.208 -18.254 1.00 0.00 C ATOM 505 CD GLU A 31 -11.696 13.156 -19.020 1.00 0.00 C ATOM 506 OE1 GLU A 31 -10.603 12.725 -19.455 1.00 0.00 O ATOM 507 OE2 GLU A 31 -12.076 14.330 -19.230 1.00 0.00 O ATOM 0 H GLU A 31 -9.716 12.016 -17.636 1.00 0.00 H new ATOM 0 HA GLU A 31 -11.776 11.171 -15.738 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -11.427 10.483 -18.677 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -12.831 10.140 -17.687 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -13.521 12.017 -18.873 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -12.993 12.716 -17.355 1.00 0.00 H new ATOM 514 N ARG A 32 -9.480 9.163 -17.095 1.00 0.00 N ATOM 515 CA ARG A 32 -8.943 7.798 -17.112 1.00 0.00 C ATOM 516 C ARG A 32 -8.317 7.375 -15.786 1.00 0.00 C ATOM 517 O ARG A 32 -8.169 6.173 -15.553 1.00 0.00 O ATOM 518 CB ARG A 32 -7.933 7.646 -18.258 1.00 0.00 C ATOM 519 CG ARG A 32 -8.577 7.359 -19.628 1.00 0.00 C ATOM 520 CD ARG A 32 -8.232 8.414 -20.688 1.00 0.00 C ATOM 521 NE ARG A 32 -9.179 9.544 -20.683 1.00 0.00 N ATOM 522 CZ ARG A 32 -10.251 9.695 -21.471 1.00 0.00 C ATOM 523 NH1 ARG A 32 -10.632 8.727 -22.303 1.00 0.00 N ATOM 524 NH2 ARG A 32 -10.946 10.823 -21.412 1.00 0.00 N ATOM 0 H ARG A 32 -8.984 9.810 -17.708 1.00 0.00 H new ATOM 0 HA ARG A 32 -9.789 7.130 -17.273 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -7.341 8.559 -18.330 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -7.243 6.837 -18.016 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.250 6.380 -19.979 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -9.660 7.311 -19.511 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -7.223 8.787 -20.511 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -8.231 7.948 -21.674 1.00 0.00 H new ATOM 0 HE ARG A 32 -8.999 10.288 -20.009 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -10.105 7.855 -22.346 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -11.451 8.858 -22.897 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -10.662 11.564 -20.771 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -11.764 10.949 -22.007 1.00 0.00 H new ATOM 538 N ILE A 33 -7.980 8.312 -14.899 1.00 0.00 N ATOM 539 CA ILE A 33 -7.544 7.987 -13.548 1.00 0.00 C ATOM 540 C ILE A 33 -8.555 7.070 -12.842 1.00 0.00 C ATOM 541 O ILE A 33 -8.135 6.167 -12.123 1.00 0.00 O ATOM 542 CB ILE A 33 -7.265 9.283 -12.758 1.00 0.00 C ATOM 543 CG1 ILE A 33 -6.623 8.988 -11.386 1.00 0.00 C ATOM 544 CG2 ILE A 33 -8.539 10.139 -12.589 1.00 0.00 C ATOM 545 CD1 ILE A 33 -5.240 8.333 -11.465 1.00 0.00 C ATOM 0 H ILE A 33 -8.003 9.312 -15.099 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.611 7.427 -13.600 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.551 9.860 -13.347 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -6.539 9.921 -10.829 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -7.289 8.337 -10.819 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -8.299 11.042 -12.028 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -8.925 10.414 -13.570 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -9.293 9.566 -12.050 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -4.861 8.160 -10.458 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.317 7.382 -11.992 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.556 8.990 -12.002 1.00 0.00 H new ATOM 557 N ALA A 34 -9.864 7.249 -13.070 1.00 0.00 N ATOM 558 CA ALA A 34 -10.888 6.481 -12.374 1.00 0.00 C ATOM 559 C ALA A 34 -10.796 4.995 -12.732 1.00 0.00 C ATOM 560 O ALA A 34 -10.910 4.140 -11.855 1.00 0.00 O ATOM 561 CB ALA A 34 -12.275 7.037 -12.717 1.00 0.00 C ATOM 0 H ALA A 34 -10.233 7.926 -13.738 1.00 0.00 H new ATOM 0 HA ALA A 34 -10.725 6.574 -11.300 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -13.038 6.460 -12.194 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.335 8.081 -12.409 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -12.440 6.966 -13.792 1.00 0.00 H new ATOM 567 N THR A 35 -10.567 4.679 -14.007 1.00 0.00 N ATOM 568 CA THR A 35 -10.374 3.311 -14.468 1.00 0.00 C ATOM 569 C THR A 35 -9.001 2.771 -14.039 1.00 0.00 C ATOM 570 O THR A 35 -8.888 1.588 -13.712 1.00 0.00 O ATOM 571 CB THR A 35 -10.577 3.260 -15.999 1.00 0.00 C ATOM 572 OG1 THR A 35 -10.191 4.468 -16.641 1.00 0.00 O ATOM 573 CG2 THR A 35 -12.059 3.055 -16.332 1.00 0.00 C ATOM 0 H THR A 35 -10.510 5.374 -14.752 1.00 0.00 H new ATOM 0 HA THR A 35 -11.114 2.659 -14.004 1.00 0.00 H new ATOM 0 HB THR A 35 -9.957 2.436 -16.353 1.00 0.00 H new ATOM 0 HG1 THR A 35 -9.388 4.826 -16.209 1.00 0.00 H new ATOM 0 HG21 THR A 35 -12.188 3.021 -17.414 1.00 0.00 H new ATOM 0 HG22 THR A 35 -12.404 2.117 -15.896 1.00 0.00 H new ATOM 0 HG23 THR A 35 -12.641 3.881 -15.923 1.00 0.00 H new ATOM 581 N ALA A 36 -7.964 3.620 -14.005 1.00 0.00 N ATOM 582 CA ALA A 36 -6.619 3.212 -13.612 1.00 0.00 C ATOM 583 C ALA A 36 -6.549 2.857 -12.121 1.00 0.00 C ATOM 584 O ALA A 36 -5.913 1.868 -11.756 1.00 0.00 O ATOM 585 CB ALA A 36 -5.631 4.337 -13.935 1.00 0.00 C ATOM 0 H ALA A 36 -8.040 4.607 -14.250 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.355 2.317 -14.175 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -4.626 4.034 -13.642 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.651 4.542 -15.005 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.913 5.237 -13.388 1.00 0.00 H new ATOM 591 N VAL A 37 -7.191 3.658 -11.266 1.00 0.00 N ATOM 592 CA VAL A 37 -7.096 3.591 -9.813 1.00 0.00 C ATOM 593 C VAL A 37 -8.499 3.884 -9.248 1.00 0.00 C ATOM 594 O VAL A 37 -8.823 5.040 -8.974 1.00 0.00 O ATOM 595 CB VAL A 37 -6.005 4.545 -9.281 1.00 0.00 C ATOM 596 CG1 VAL A 37 -5.776 4.304 -7.781 1.00 0.00 C ATOM 597 CG2 VAL A 37 -4.655 4.403 -10.006 1.00 0.00 C ATOM 0 H VAL A 37 -7.815 4.399 -11.584 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.784 2.601 -9.482 1.00 0.00 H new ATOM 0 HB VAL A 37 -6.376 5.553 -9.468 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -5.004 4.983 -7.417 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.704 4.484 -7.238 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.457 3.274 -7.623 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.937 5.104 -9.579 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.283 3.385 -9.887 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.787 4.619 -11.066 1.00 0.00 H new ATOM 607 N PRO A 38 -9.362 2.863 -9.084 1.00 0.00 N ATOM 608 CA PRO A 38 -10.767 3.032 -8.703 1.00 0.00 C ATOM 609 C PRO A 38 -10.979 3.388 -7.213 1.00 0.00 C ATOM 610 O PRO A 38 -12.067 3.175 -6.675 1.00 0.00 O ATOM 611 CB PRO A 38 -11.442 1.720 -9.129 1.00 0.00 C ATOM 612 CG PRO A 38 -10.332 0.686 -8.971 1.00 0.00 C ATOM 613 CD PRO A 38 -9.088 1.465 -9.389 1.00 0.00 C ATOM 0 HA PRO A 38 -11.212 3.894 -9.200 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -12.301 1.487 -8.500 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -11.803 1.769 -10.156 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -10.258 0.324 -7.945 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -10.497 -0.185 -9.605 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -8.209 1.114 -8.849 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -8.884 1.331 -10.451 1.00 0.00 H new ATOM 621 N ASP A 39 -9.967 3.933 -6.533 1.00 0.00 N ATOM 622 CA ASP A 39 -10.051 4.453 -5.170 1.00 0.00 C ATOM 623 C ASP A 39 -9.146 5.678 -5.087 1.00 0.00 C ATOM 624 O ASP A 39 -7.920 5.551 -5.058 1.00 0.00 O ATOM 625 CB ASP A 39 -9.629 3.401 -4.134 1.00 0.00 C ATOM 626 CG ASP A 39 -9.512 3.990 -2.712 1.00 0.00 C ATOM 627 OD1 ASP A 39 -10.027 5.101 -2.451 1.00 0.00 O ATOM 628 OD2 ASP A 39 -8.918 3.317 -1.840 1.00 0.00 O ATOM 0 H ASP A 39 -9.033 4.027 -6.933 1.00 0.00 H new ATOM 0 HA ASP A 39 -11.084 4.718 -4.943 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -10.355 2.588 -4.129 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -8.671 2.971 -4.426 1.00 0.00 H new ATOM 633 N LYS A 40 -9.741 6.874 -5.075 1.00 0.00 N ATOM 634 CA LYS A 40 -8.983 8.123 -5.085 1.00 0.00 C ATOM 635 C LYS A 40 -8.169 8.371 -3.814 1.00 0.00 C ATOM 636 O LYS A 40 -7.349 9.292 -3.800 1.00 0.00 O ATOM 637 CB LYS A 40 -9.891 9.308 -5.454 1.00 0.00 C ATOM 638 CG LYS A 40 -10.952 9.673 -4.402 1.00 0.00 C ATOM 639 CD LYS A 40 -11.718 10.952 -4.783 1.00 0.00 C ATOM 640 CE LYS A 40 -12.553 10.787 -6.063 1.00 0.00 C ATOM 641 NZ LYS A 40 -13.225 12.050 -6.458 1.00 0.00 N ATOM 0 H LYS A 40 -10.753 7.001 -5.058 1.00 0.00 H new ATOM 0 HA LYS A 40 -8.229 8.021 -5.866 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.265 10.182 -5.634 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -10.396 9.079 -6.392 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -11.655 8.847 -4.293 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -10.471 9.812 -3.434 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -12.375 11.236 -3.960 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -11.008 11.768 -4.920 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -11.908 10.451 -6.875 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -13.303 10.011 -5.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -13.869 11.866 -7.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -13.768 12.421 -5.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -12.510 12.749 -6.745 1.00 0.00 H new ATOM 655 N ASN A 41 -8.374 7.588 -2.751 1.00 0.00 N ATOM 656 CA ASN A 41 -7.558 7.694 -1.547 1.00 0.00 C ATOM 657 C ASN A 41 -6.239 6.923 -1.682 1.00 0.00 C ATOM 658 O ASN A 41 -5.344 7.104 -0.856 1.00 0.00 O ATOM 659 CB ASN A 41 -8.357 7.216 -0.327 1.00 0.00 C ATOM 660 CG ASN A 41 -7.620 7.430 0.994 1.00 0.00 C ATOM 661 OD1 ASN A 41 -7.423 6.492 1.762 1.00 0.00 O ATOM 662 ND2 ASN A 41 -7.232 8.655 1.316 1.00 0.00 N ATOM 0 H ASN A 41 -9.101 6.874 -2.704 1.00 0.00 H new ATOM 0 HA ASN A 41 -7.298 8.743 -1.407 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -9.310 7.745 -0.294 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -8.584 6.156 -0.442 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -6.766 8.825 2.207 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -7.399 9.429 0.673 1.00 0.00 H new ATOM 669 N ASP A 42 -6.096 6.054 -2.688 1.00 0.00 N ATOM 670 CA ASP A 42 -4.884 5.256 -2.874 1.00 0.00 C ATOM 671 C ASP A 42 -3.715 6.118 -3.372 1.00 0.00 C ATOM 672 O ASP A 42 -3.931 7.157 -4.003 1.00 0.00 O ATOM 673 CB ASP A 42 -5.147 4.106 -3.851 1.00 0.00 C ATOM 674 CG ASP A 42 -3.960 3.138 -3.876 1.00 0.00 C ATOM 675 OD1 ASP A 42 -3.465 2.796 -2.778 1.00 0.00 O ATOM 676 OD2 ASP A 42 -3.544 2.715 -4.975 1.00 0.00 O ATOM 0 H ASP A 42 -6.815 5.886 -3.392 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.607 4.843 -1.904 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -6.052 3.573 -3.559 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.320 4.504 -4.851 1.00 0.00 H new ATOM 681 N THR A 43 -2.476 5.704 -3.098 1.00 0.00 N ATOM 682 CA THR A 43 -1.281 6.419 -3.536 1.00 0.00 C ATOM 683 C THR A 43 -1.109 6.244 -5.049 1.00 0.00 C ATOM 684 O THR A 43 -1.218 5.123 -5.553 1.00 0.00 O ATOM 685 CB THR A 43 -0.033 5.902 -2.792 1.00 0.00 C ATOM 686 OG1 THR A 43 -0.326 5.504 -1.465 1.00 0.00 O ATOM 687 CG2 THR A 43 1.089 6.944 -2.762 1.00 0.00 C ATOM 0 H THR A 43 -2.275 4.859 -2.563 1.00 0.00 H new ATOM 0 HA THR A 43 -1.397 7.478 -3.305 1.00 0.00 H new ATOM 0 HB THR A 43 0.303 5.031 -3.354 1.00 0.00 H new ATOM 0 HG1 THR A 43 -0.425 4.530 -1.430 1.00 0.00 H new ATOM 0 HG21 THR A 43 1.948 6.538 -2.228 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.380 7.194 -3.782 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.738 7.842 -2.254 1.00 0.00 H new ATOM 695 N VAL A 44 -0.767 7.311 -5.774 1.00 0.00 N ATOM 696 CA VAL A 44 -0.483 7.247 -7.203 1.00 0.00 C ATOM 697 C VAL A 44 0.743 8.116 -7.458 1.00 0.00 C ATOM 698 O VAL A 44 0.838 9.233 -6.945 1.00 0.00 O ATOM 699 CB VAL A 44 -1.703 7.713 -8.028 1.00 0.00 C ATOM 700 CG1 VAL A 44 -1.496 7.476 -9.535 1.00 0.00 C ATOM 701 CG2 VAL A 44 -3.016 7.031 -7.617 1.00 0.00 C ATOM 0 H VAL A 44 -0.680 8.248 -5.381 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.281 6.222 -7.515 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.785 8.779 -7.818 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.376 7.817 -10.081 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.621 8.031 -9.874 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.344 6.412 -9.719 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.830 7.406 -8.237 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.924 5.953 -7.751 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.227 7.249 -6.570 1.00 0.00 H new ATOM 711 N LYS A 45 1.678 7.614 -8.261 1.00 0.00 N ATOM 712 CA LYS A 45 2.907 8.308 -8.605 1.00 0.00 C ATOM 713 C LYS A 45 2.886 8.578 -10.098 1.00 0.00 C ATOM 714 O LYS A 45 2.652 7.669 -10.898 1.00 0.00 O ATOM 715 CB LYS A 45 4.117 7.470 -8.167 1.00 0.00 C ATOM 716 CG LYS A 45 4.316 7.589 -6.647 1.00 0.00 C ATOM 717 CD LYS A 45 5.420 6.659 -6.133 1.00 0.00 C ATOM 718 CE LYS A 45 5.649 6.926 -4.639 1.00 0.00 C ATOM 719 NZ LYS A 45 6.501 5.893 -4.006 1.00 0.00 N ATOM 0 H LYS A 45 1.597 6.695 -8.697 1.00 0.00 H new ATOM 0 HA LYS A 45 2.988 9.262 -8.084 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.966 6.426 -8.442 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.013 7.810 -8.687 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.565 8.620 -6.395 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.380 7.354 -6.140 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.137 5.618 -6.290 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.342 6.826 -6.690 1.00 0.00 H new ATOM 0 HE2 LYS A 45 6.115 7.904 -4.514 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.687 6.963 -4.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.725 6.177 -3.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.995 4.985 -3.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.383 5.791 -4.548 1.00 0.00 H new ATOM 733 N VAL A 46 3.125 9.832 -10.463 1.00 0.00 N ATOM 734 CA VAL A 46 3.139 10.292 -11.845 1.00 0.00 C ATOM 735 C VAL A 46 4.525 10.870 -12.138 1.00 0.00 C ATOM 736 O VAL A 46 5.153 11.473 -11.263 1.00 0.00 O ATOM 737 CB VAL A 46 1.974 11.278 -12.102 1.00 0.00 C ATOM 738 CG1 VAL A 46 0.618 10.562 -12.023 1.00 0.00 C ATOM 739 CG2 VAL A 46 1.917 12.476 -11.140 1.00 0.00 C ATOM 0 H VAL A 46 3.319 10.574 -9.790 1.00 0.00 H new ATOM 0 HA VAL A 46 2.970 9.470 -12.540 1.00 0.00 H new ATOM 0 HB VAL A 46 2.173 11.663 -13.102 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.183 11.278 -12.207 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.579 9.773 -12.774 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.494 10.126 -11.032 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.069 13.110 -11.398 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.803 12.116 -10.117 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.839 13.052 -11.221 1.00 0.00 H new ATOM 749 N TYR A 47 5.011 10.696 -13.364 1.00 0.00 N ATOM 750 CA TYR A 47 6.306 11.167 -13.837 1.00 0.00 C ATOM 751 C TYR A 47 6.182 11.445 -15.340 1.00 0.00 C ATOM 752 O TYR A 47 5.261 10.941 -15.993 1.00 0.00 O ATOM 753 CB TYR A 47 7.407 10.131 -13.537 1.00 0.00 C ATOM 754 CG TYR A 47 7.273 8.866 -14.359 1.00 0.00 C ATOM 755 CD1 TYR A 47 6.264 7.933 -14.056 1.00 0.00 C ATOM 756 CD2 TYR A 47 8.091 8.676 -15.488 1.00 0.00 C ATOM 757 CE1 TYR A 47 6.051 6.827 -14.891 1.00 0.00 C ATOM 758 CE2 TYR A 47 7.893 7.560 -16.318 1.00 0.00 C ATOM 759 CZ TYR A 47 6.870 6.638 -16.025 1.00 0.00 C ATOM 760 OH TYR A 47 6.703 5.568 -16.845 1.00 0.00 O ATOM 0 H TYR A 47 4.488 10.200 -14.086 1.00 0.00 H new ATOM 0 HA TYR A 47 6.593 12.082 -13.319 1.00 0.00 H new ATOM 0 HB2 TYR A 47 8.382 10.580 -13.728 1.00 0.00 H new ATOM 0 HB3 TYR A 47 7.377 9.874 -12.478 1.00 0.00 H new ATOM 0 HD1 TYR A 47 5.651 8.069 -13.177 1.00 0.00 H new ATOM 0 HD2 TYR A 47 8.871 9.388 -15.716 1.00 0.00 H new ATOM 0 HE1 TYR A 47 5.263 6.123 -14.667 1.00 0.00 H new ATOM 0 HE2 TYR A 47 8.525 7.409 -17.181 1.00 0.00 H new ATOM 0 HH TYR A 47 6.976 5.808 -17.755 1.00 0.00 H new ATOM 770 N CYS A 48 7.094 12.257 -15.877 1.00 0.00 N ATOM 771 CA CYS A 48 7.136 12.707 -17.266 1.00 0.00 C ATOM 772 C CYS A 48 8.564 13.121 -17.607 1.00 0.00 C ATOM 773 O CYS A 48 9.371 13.331 -16.705 1.00 0.00 O ATOM 774 CB CYS A 48 6.228 13.932 -17.439 1.00 0.00 C ATOM 775 SG CYS A 48 4.541 13.404 -17.759 1.00 0.00 S ATOM 0 H CYS A 48 7.862 12.637 -15.325 1.00 0.00 H new ATOM 0 HA CYS A 48 6.801 11.900 -17.918 1.00 0.00 H new ATOM 0 HB2 CYS A 48 6.261 14.549 -16.541 1.00 0.00 H new ATOM 0 HB3 CYS A 48 6.588 14.548 -18.263 1.00 0.00 H new ATOM 0 HG CYS A 48 4.313 12.283 -17.142 1.00 0.00 H new ATOM 781 N ASN A 49 8.859 13.318 -18.893 1.00 0.00 N ATOM 782 CA ASN A 49 10.187 13.655 -19.419 1.00 0.00 C ATOM 783 C ASN A 49 10.931 14.772 -18.665 1.00 0.00 C ATOM 784 O ASN A 49 12.160 14.720 -18.609 1.00 0.00 O ATOM 785 CB ASN A 49 10.077 14.000 -20.914 1.00 0.00 C ATOM 786 CG ASN A 49 11.452 14.244 -21.537 1.00 0.00 C ATOM 787 OD1 ASN A 49 12.324 13.381 -21.502 1.00 0.00 O ATOM 788 ND2 ASN A 49 11.675 15.409 -22.126 1.00 0.00 N ATOM 0 H ASN A 49 8.154 13.245 -19.626 1.00 0.00 H new ATOM 0 HA ASN A 49 10.797 12.764 -19.266 1.00 0.00 H new ATOM 0 HB2 ASN A 49 9.578 13.186 -21.440 1.00 0.00 H new ATOM 0 HB3 ASN A 49 9.457 14.888 -21.039 1.00 0.00 H new ATOM 0 HD21 ASN A 49 12.580 15.597 -22.557 1.00 0.00 H new ATOM 0 HD22 ASN A 49 10.942 16.118 -22.148 1.00 0.00 H new ATOM 795 N ALA A 50 10.229 15.745 -18.060 1.00 0.00 N ATOM 796 CA ALA A 50 10.854 16.837 -17.306 1.00 0.00 C ATOM 797 C ALA A 50 10.258 17.033 -15.901 1.00 0.00 C ATOM 798 O ALA A 50 10.577 18.025 -15.245 1.00 0.00 O ATOM 799 CB ALA A 50 10.779 18.129 -18.133 1.00 0.00 C ATOM 0 H ALA A 50 9.210 15.794 -18.082 1.00 0.00 H new ATOM 0 HA ALA A 50 11.896 16.566 -17.137 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.242 18.944 -17.577 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.306 17.988 -19.077 1.00 0.00 H new ATOM 0 HB3 ALA A 50 9.736 18.373 -18.333 1.00 0.00 H new ATOM 805 N GLY A 51 9.380 16.141 -15.426 1.00 0.00 N ATOM 806 CA GLY A 51 8.760 16.196 -14.104 1.00 0.00 C ATOM 807 C GLY A 51 7.625 17.215 -14.036 1.00 0.00 C ATOM 808 O GLY A 51 6.563 16.913 -13.489 1.00 0.00 O ATOM 0 H GLY A 51 9.074 15.336 -15.972 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.375 15.210 -13.845 1.00 0.00 H new ATOM 0 HA3 GLY A 51 9.516 16.449 -13.361 1.00 0.00 H new ATOM 812 N ARG A 52 7.801 18.388 -14.651 1.00 0.00 N ATOM 813 CA ARG A 52 6.818 19.467 -14.675 1.00 0.00 C ATOM 814 C ARG A 52 5.460 18.976 -15.155 1.00 0.00 C ATOM 815 O ARG A 52 4.456 19.274 -14.516 1.00 0.00 O ATOM 816 CB ARG A 52 7.353 20.623 -15.548 1.00 0.00 C ATOM 817 CG ARG A 52 6.323 21.709 -15.915 1.00 0.00 C ATOM 818 CD ARG A 52 5.700 22.405 -14.696 1.00 0.00 C ATOM 819 NE ARG A 52 4.675 23.383 -15.108 1.00 0.00 N ATOM 820 CZ ARG A 52 3.643 23.803 -14.364 1.00 0.00 C ATOM 821 NH1 ARG A 52 3.464 23.346 -13.126 1.00 0.00 N ATOM 822 NH2 ARG A 52 2.781 24.678 -14.872 1.00 0.00 N ATOM 0 H ARG A 52 8.656 18.616 -15.159 1.00 0.00 H new ATOM 0 HA ARG A 52 6.668 19.835 -13.660 1.00 0.00 H new ATOM 0 HB2 ARG A 52 8.183 21.097 -15.024 1.00 0.00 H new ATOM 0 HB3 ARG A 52 7.756 20.203 -16.470 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.806 22.458 -16.543 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.529 21.258 -16.510 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.253 21.660 -14.038 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.479 22.909 -14.124 1.00 0.00 H new ATOM 0 HE ARG A 52 4.760 23.776 -16.046 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.117 22.668 -12.733 1.00 0.00 H new ATOM 0 HH12 ARG A 52 2.674 23.674 -12.570 1.00 0.00 H new ATOM 0 HH21 ARG A 52 2.907 25.025 -15.823 1.00 0.00 H new ATOM 0 HH22 ARG A 52 1.993 25.002 -14.311 1.00 0.00 H new ATOM 836 N GLN A 53 5.417 18.234 -16.259 1.00 0.00 N ATOM 837 CA GLN A 53 4.165 17.828 -16.883 1.00 0.00 C ATOM 838 C GLN A 53 3.389 16.893 -15.949 1.00 0.00 C ATOM 839 O GLN A 53 2.172 17.008 -15.816 1.00 0.00 O ATOM 840 CB GLN A 53 4.422 17.169 -18.248 1.00 0.00 C ATOM 841 CG GLN A 53 5.386 17.924 -19.186 1.00 0.00 C ATOM 842 CD GLN A 53 6.871 17.571 -19.026 1.00 0.00 C ATOM 843 OE1 GLN A 53 7.311 16.988 -18.036 1.00 0.00 O ATOM 844 NE2 GLN A 53 7.687 17.916 -20.008 1.00 0.00 N ATOM 0 H GLN A 53 6.249 17.899 -16.744 1.00 0.00 H new ATOM 0 HA GLN A 53 3.557 18.716 -17.058 1.00 0.00 H new ATOM 0 HB2 GLN A 53 4.819 16.168 -18.078 1.00 0.00 H new ATOM 0 HB3 GLN A 53 3.466 17.050 -18.759 1.00 0.00 H new ATOM 0 HG2 GLN A 53 5.092 17.726 -20.217 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.264 18.994 -19.019 1.00 0.00 H new ATOM 0 HE21 GLN A 53 7.322 18.399 -20.829 1.00 0.00 H new ATOM 0 HE22 GLN A 53 8.682 17.699 -19.945 1.00 0.00 H new ATOM 853 N SER A 54 4.087 16.011 -15.233 1.00 0.00 N ATOM 854 CA SER A 54 3.485 15.191 -14.193 1.00 0.00 C ATOM 855 C SER A 54 3.068 16.021 -12.978 1.00 0.00 C ATOM 856 O SER A 54 2.066 15.696 -12.348 1.00 0.00 O ATOM 857 CB SER A 54 4.428 14.046 -13.824 1.00 0.00 C ATOM 858 OG SER A 54 5.792 14.364 -14.064 1.00 0.00 O ATOM 0 H SER A 54 5.086 15.848 -15.361 1.00 0.00 H new ATOM 0 HA SER A 54 2.564 14.757 -14.583 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.297 13.797 -12.771 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.159 13.159 -14.398 1.00 0.00 H new ATOM 0 HG SER A 54 5.983 15.262 -13.723 1.00 0.00 H new ATOM 864 N GLY A 55 3.770 17.113 -12.670 1.00 0.00 N ATOM 865 CA GLY A 55 3.336 18.093 -11.683 1.00 0.00 C ATOM 866 C GLY A 55 1.975 18.680 -12.064 1.00 0.00 C ATOM 867 O GLY A 55 1.076 18.745 -11.226 1.00 0.00 O ATOM 0 H GLY A 55 4.664 17.341 -13.105 1.00 0.00 H new ATOM 0 HA2 GLY A 55 3.273 17.624 -10.701 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.074 18.892 -11.608 1.00 0.00 H new ATOM 871 N GLN A 56 1.782 19.032 -13.342 1.00 0.00 N ATOM 872 CA GLN A 56 0.494 19.510 -13.839 1.00 0.00 C ATOM 873 C GLN A 56 -0.570 18.429 -13.656 1.00 0.00 C ATOM 874 O GLN A 56 -1.626 18.706 -13.089 1.00 0.00 O ATOM 875 CB GLN A 56 0.564 19.901 -15.322 1.00 0.00 C ATOM 876 CG GLN A 56 1.623 20.968 -15.629 1.00 0.00 C ATOM 877 CD GLN A 56 1.591 21.399 -17.096 1.00 0.00 C ATOM 878 OE1 GLN A 56 2.406 20.964 -17.904 1.00 0.00 O ATOM 879 NE2 GLN A 56 0.656 22.256 -17.476 1.00 0.00 N ATOM 0 H GLN A 56 2.512 18.992 -14.053 1.00 0.00 H new ATOM 0 HA GLN A 56 0.231 20.398 -13.263 1.00 0.00 H new ATOM 0 HB2 GLN A 56 0.776 19.011 -15.914 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -0.412 20.269 -15.638 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.458 21.837 -14.992 1.00 0.00 H new ATOM 0 HG3 GLN A 56 2.612 20.578 -15.387 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -0.017 22.611 -16.796 1.00 0.00 H new ATOM 0 HE22 GLN A 56 0.608 22.561 -18.448 1.00 0.00 H new ATOM 888 N ALA A 57 -0.286 17.192 -14.085 1.00 0.00 N ATOM 889 CA ALA A 57 -1.222 16.081 -13.938 1.00 0.00 C ATOM 890 C ALA A 57 -1.596 15.884 -12.472 1.00 0.00 C ATOM 891 O ALA A 57 -2.760 15.659 -12.152 1.00 0.00 O ATOM 892 CB ALA A 57 -0.620 14.789 -14.500 1.00 0.00 C ATOM 0 H ALA A 57 0.592 16.940 -14.539 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.123 16.323 -14.502 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.333 13.973 -14.381 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.395 14.923 -15.558 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.297 14.551 -13.961 1.00 0.00 H new ATOM 898 N LYS A 58 -0.621 16.010 -11.574 1.00 0.00 N ATOM 899 CA LYS A 58 -0.843 15.825 -10.144 1.00 0.00 C ATOM 900 C LYS A 58 -1.839 16.867 -9.638 1.00 0.00 C ATOM 901 O LYS A 58 -2.691 16.535 -8.815 1.00 0.00 O ATOM 902 CB LYS A 58 0.511 15.823 -9.403 1.00 0.00 C ATOM 903 CG LYS A 58 0.375 15.633 -7.885 1.00 0.00 C ATOM 904 CD LYS A 58 0.307 16.971 -7.134 1.00 0.00 C ATOM 905 CE LYS A 58 -0.417 16.795 -5.798 1.00 0.00 C ATOM 906 NZ LYS A 58 -0.666 18.101 -5.144 1.00 0.00 N ATOM 0 H LYS A 58 0.342 16.243 -11.817 1.00 0.00 H new ATOM 0 HA LYS A 58 -1.296 14.855 -9.941 1.00 0.00 H new ATOM 0 HB2 LYS A 58 1.137 15.027 -9.807 1.00 0.00 H new ATOM 0 HB3 LYS A 58 1.026 16.764 -9.599 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.524 15.054 -7.673 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.222 15.054 -7.516 1.00 0.00 H new ATOM 0 HD2 LYS A 58 1.314 17.351 -6.962 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.213 17.711 -7.742 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.364 16.281 -5.960 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.179 16.164 -5.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.541 18.048 -4.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.132 18.334 -4.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.764 18.840 -5.870 1.00 0.00 H new ATOM 920 N GLU A 59 -1.785 18.104 -10.131 1.00 0.00 N ATOM 921 CA GLU A 59 -2.741 19.134 -9.745 1.00 0.00 C ATOM 922 C GLU A 59 -4.122 18.882 -10.366 1.00 0.00 C ATOM 923 O GLU A 59 -5.120 19.114 -9.684 1.00 0.00 O ATOM 924 CB GLU A 59 -2.202 20.530 -10.093 1.00 0.00 C ATOM 925 CG GLU A 59 -1.008 20.942 -9.213 1.00 0.00 C ATOM 926 CD GLU A 59 -1.392 21.108 -7.730 1.00 0.00 C ATOM 927 OE1 GLU A 59 -1.842 22.210 -7.338 1.00 0.00 O ATOM 928 OE2 GLU A 59 -1.230 20.146 -6.946 1.00 0.00 O ATOM 0 H GLU A 59 -1.083 18.416 -10.803 1.00 0.00 H new ATOM 0 HA GLU A 59 -2.870 19.088 -8.664 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.900 20.548 -11.140 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.001 21.262 -9.980 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -0.222 20.191 -9.299 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -0.595 21.880 -9.584 1.00 0.00 H new ATOM 935 N ILE A 60 -4.216 18.344 -11.593 1.00 0.00 N ATOM 936 CA ILE A 60 -5.503 17.910 -12.161 1.00 0.00 C ATOM 937 C ILE A 60 -6.121 16.873 -11.217 1.00 0.00 C ATOM 938 O ILE A 60 -7.297 16.965 -10.863 1.00 0.00 O ATOM 939 CB ILE A 60 -5.349 17.333 -13.597 1.00 0.00 C ATOM 940 CG1 ILE A 60 -4.781 18.375 -14.586 1.00 0.00 C ATOM 941 CG2 ILE A 60 -6.692 16.795 -14.135 1.00 0.00 C ATOM 942 CD1 ILE A 60 -4.461 17.794 -15.972 1.00 0.00 C ATOM 0 H ILE A 60 -3.417 18.199 -12.210 1.00 0.00 H new ATOM 0 HA ILE A 60 -6.159 18.776 -12.251 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.639 16.510 -13.520 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -5.499 19.187 -14.698 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.874 18.808 -14.164 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -6.549 16.399 -15.140 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -7.054 16.002 -13.481 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -7.422 17.604 -14.164 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -4.066 18.581 -16.614 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.719 17.001 -15.872 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -5.370 17.386 -16.414 1.00 0.00 H new ATOM 954 N LEU A 61 -5.332 15.889 -10.782 1.00 0.00 N ATOM 955 CA LEU A 61 -5.839 14.824 -9.931 1.00 0.00 C ATOM 956 C LEU A 61 -6.163 15.335 -8.526 1.00 0.00 C ATOM 957 O LEU A 61 -7.098 14.840 -7.897 1.00 0.00 O ATOM 958 CB LEU A 61 -4.856 13.649 -9.897 1.00 0.00 C ATOM 959 CG LEU A 61 -4.611 12.972 -11.264 1.00 0.00 C ATOM 960 CD1 LEU A 61 -3.752 11.716 -11.086 1.00 0.00 C ATOM 961 CD2 LEU A 61 -5.920 12.623 -11.975 1.00 0.00 C ATOM 0 H LEU A 61 -4.340 15.812 -11.008 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.775 14.464 -10.358 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.902 14.002 -9.506 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.230 12.901 -9.198 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.080 13.687 -11.892 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.586 11.248 -12.056 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.793 11.990 -10.647 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.265 11.015 -10.428 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.699 12.149 -12.932 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.499 11.938 -11.356 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.496 13.533 -12.145 1.00 0.00 H new ATOM 973 N SER A 62 -5.454 16.357 -8.048 1.00 0.00 N ATOM 974 CA SER A 62 -5.785 17.020 -6.795 1.00 0.00 C ATOM 975 C SER A 62 -7.139 17.732 -6.908 1.00 0.00 C ATOM 976 O SER A 62 -7.932 17.676 -5.969 1.00 0.00 O ATOM 977 CB SER A 62 -4.675 18.000 -6.408 1.00 0.00 C ATOM 978 OG SER A 62 -3.428 17.331 -6.341 1.00 0.00 O ATOM 0 H SER A 62 -4.637 16.745 -8.520 1.00 0.00 H new ATOM 0 HA SER A 62 -5.866 16.270 -6.008 1.00 0.00 H new ATOM 0 HB2 SER A 62 -4.623 18.808 -7.138 1.00 0.00 H new ATOM 0 HB3 SER A 62 -4.903 18.456 -5.444 1.00 0.00 H new ATOM 0 HG SER A 62 -3.102 17.155 -7.248 1.00 0.00 H new ATOM 984 N GLU A 63 -7.454 18.341 -8.058 1.00 0.00 N ATOM 985 CA GLU A 63 -8.761 18.946 -8.309 1.00 0.00 C ATOM 986 C GLU A 63 -9.850 17.859 -8.363 1.00 0.00 C ATOM 987 O GLU A 63 -10.951 18.059 -7.849 1.00 0.00 O ATOM 988 CB GLU A 63 -8.702 19.774 -9.606 1.00 0.00 C ATOM 989 CG GLU A 63 -9.926 20.676 -9.828 1.00 0.00 C ATOM 990 CD GLU A 63 -10.012 21.823 -8.803 1.00 0.00 C ATOM 991 OE1 GLU A 63 -9.385 22.886 -9.017 1.00 0.00 O ATOM 992 OE2 GLU A 63 -10.726 21.687 -7.785 1.00 0.00 O ATOM 0 H GLU A 63 -6.805 18.426 -8.841 1.00 0.00 H new ATOM 0 HA GLU A 63 -9.021 19.620 -7.493 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -7.805 20.394 -9.589 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -8.605 19.096 -10.454 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -9.886 21.095 -10.834 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -10.832 20.073 -9.770 1.00 0.00 H new ATOM 999 N MET A 64 -9.527 16.679 -8.909 1.00 0.00 N ATOM 1000 CA MET A 64 -10.381 15.487 -8.857 1.00 0.00 C ATOM 1001 C MET A 64 -10.495 14.902 -7.435 1.00 0.00 C ATOM 1002 O MET A 64 -11.273 13.969 -7.221 1.00 0.00 O ATOM 1003 CB MET A 64 -9.869 14.420 -9.841 1.00 0.00 C ATOM 1004 CG MET A 64 -10.048 14.806 -11.314 1.00 0.00 C ATOM 1005 SD MET A 64 -11.768 14.866 -11.896 1.00 0.00 S ATOM 1006 CE MET A 64 -12.215 13.108 -11.796 1.00 0.00 C ATOM 0 H MET A 64 -8.650 16.524 -9.407 1.00 0.00 H new ATOM 0 HA MET A 64 -11.383 15.797 -9.152 1.00 0.00 H new ATOM 0 HB2 MET A 64 -8.812 14.237 -9.648 1.00 0.00 H new ATOM 0 HB3 MET A 64 -10.394 13.483 -9.653 1.00 0.00 H new ATOM 0 HG2 MET A 64 -9.593 15.783 -11.474 1.00 0.00 H new ATOM 0 HG3 MET A 64 -9.498 14.094 -11.929 1.00 0.00 H new ATOM 0 HE1 MET A 64 -13.141 12.936 -12.345 1.00 0.00 H new ATOM 0 HE2 MET A 64 -11.418 12.505 -12.231 1.00 0.00 H new ATOM 0 HE3 MET A 64 -12.355 12.827 -10.752 1.00 0.00 H new ATOM 1016 N GLY A 65 -9.754 15.424 -6.454 1.00 0.00 N ATOM 1017 CA GLY A 65 -9.886 15.073 -5.046 1.00 0.00 C ATOM 1018 C GLY A 65 -9.018 13.885 -4.629 1.00 0.00 C ATOM 1019 O GLY A 65 -9.231 13.346 -3.542 1.00 0.00 O ATOM 0 H GLY A 65 -9.028 16.120 -6.626 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.621 15.938 -4.438 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -10.930 14.842 -4.834 1.00 0.00 H new ATOM 1023 N TYR A 66 -8.072 13.445 -5.465 1.00 0.00 N ATOM 1024 CA TYR A 66 -7.147 12.376 -5.105 1.00 0.00 C ATOM 1025 C TYR A 66 -6.233 12.904 -3.998 1.00 0.00 C ATOM 1026 O TYR A 66 -5.649 13.981 -4.140 1.00 0.00 O ATOM 1027 CB TYR A 66 -6.359 11.886 -6.333 1.00 0.00 C ATOM 1028 CG TYR A 66 -7.173 11.029 -7.294 1.00 0.00 C ATOM 1029 CD1 TYR A 66 -8.266 11.579 -7.994 1.00 0.00 C ATOM 1030 CD2 TYR A 66 -6.885 9.657 -7.433 1.00 0.00 C ATOM 1031 CE1 TYR A 66 -9.114 10.759 -8.758 1.00 0.00 C ATOM 1032 CE2 TYR A 66 -7.721 8.831 -8.208 1.00 0.00 C ATOM 1033 CZ TYR A 66 -8.859 9.373 -8.846 1.00 0.00 C ATOM 1034 OH TYR A 66 -9.712 8.555 -9.527 1.00 0.00 O ATOM 0 H TYR A 66 -7.930 13.820 -6.403 1.00 0.00 H new ATOM 0 HA TYR A 66 -7.691 11.506 -4.738 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -5.973 12.751 -6.872 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -5.497 11.312 -5.993 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -8.454 12.641 -7.943 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -6.019 9.237 -6.943 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -9.959 11.188 -9.277 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -7.492 7.781 -8.315 1.00 0.00 H new ATOM 0 HH TYR A 66 -9.383 7.633 -9.487 1.00 0.00 H new ATOM 1044 N THR A 67 -6.122 12.174 -2.886 1.00 0.00 N ATOM 1045 CA THR A 67 -5.461 12.681 -1.683 1.00 0.00 C ATOM 1046 C THR A 67 -3.957 12.380 -1.671 1.00 0.00 C ATOM 1047 O THR A 67 -3.204 13.072 -0.981 1.00 0.00 O ATOM 1048 CB THR A 67 -6.160 12.098 -0.441 1.00 0.00 C ATOM 1049 OG1 THR A 67 -6.260 10.690 -0.540 1.00 0.00 O ATOM 1050 CG2 THR A 67 -7.586 12.631 -0.282 1.00 0.00 C ATOM 0 H THR A 67 -6.484 11.225 -2.795 1.00 0.00 H new ATOM 0 HA THR A 67 -5.549 13.767 -1.674 1.00 0.00 H new ATOM 0 HB THR A 67 -5.553 12.395 0.414 1.00 0.00 H new ATOM 0 HG1 THR A 67 -5.434 10.279 -0.210 1.00 0.00 H new ATOM 0 HG21 THR A 67 -8.041 12.193 0.607 1.00 0.00 H new ATOM 0 HG22 THR A 67 -7.560 13.716 -0.179 1.00 0.00 H new ATOM 0 HG23 THR A 67 -8.174 12.364 -1.160 1.00 0.00 H new ATOM 1058 N HIS A 68 -3.508 11.372 -2.432 1.00 0.00 N ATOM 1059 CA HIS A 68 -2.154 10.823 -2.351 1.00 0.00 C ATOM 1060 C HIS A 68 -1.524 10.670 -3.741 1.00 0.00 C ATOM 1061 O HIS A 68 -0.769 9.731 -4.003 1.00 0.00 O ATOM 1062 CB HIS A 68 -2.178 9.512 -1.544 1.00 0.00 C ATOM 1063 CG HIS A 68 -2.655 9.661 -0.119 1.00 0.00 C ATOM 1064 ND1 HIS A 68 -3.653 8.933 0.488 1.00 0.00 N ATOM 1065 CD2 HIS A 68 -2.143 10.508 0.830 1.00 0.00 C ATOM 1066 CE1 HIS A 68 -3.739 9.328 1.768 1.00 0.00 C ATOM 1067 NE2 HIS A 68 -2.839 10.295 2.028 1.00 0.00 N ATOM 0 H HIS A 68 -4.088 10.910 -3.132 1.00 0.00 H new ATOM 0 HA HIS A 68 -1.510 11.523 -1.819 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -2.822 8.797 -2.056 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.174 9.088 -1.535 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -4.228 8.218 0.043 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -1.342 11.217 0.680 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -4.434 8.926 2.490 1.00 0.00 H new ATOM 1075 N VAL A 69 -1.862 11.580 -4.652 1.00 0.00 N ATOM 1076 CA VAL A 69 -1.164 11.728 -5.918 1.00 0.00 C ATOM 1077 C VAL A 69 0.117 12.517 -5.645 1.00 0.00 C ATOM 1078 O VAL A 69 0.088 13.510 -4.911 1.00 0.00 O ATOM 1079 CB VAL A 69 -2.067 12.424 -6.954 1.00 0.00 C ATOM 1080 CG1 VAL A 69 -2.948 11.362 -7.620 1.00 0.00 C ATOM 1081 CG2 VAL A 69 -2.936 13.563 -6.391 1.00 0.00 C ATOM 0 H VAL A 69 -2.632 12.237 -4.528 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.907 10.757 -6.341 1.00 0.00 H new ATOM 0 HB VAL A 69 -1.407 12.907 -7.674 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.595 11.837 -8.358 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.317 10.623 -8.113 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.560 10.870 -6.864 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.537 13.992 -7.193 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.593 13.170 -5.615 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.294 14.334 -5.966 1.00 0.00 H new ATOM 1091 N GLU A 70 1.237 12.100 -6.232 1.00 0.00 N ATOM 1092 CA GLU A 70 2.519 12.766 -6.068 1.00 0.00 C ATOM 1093 C GLU A 70 3.295 12.670 -7.379 1.00 0.00 C ATOM 1094 O GLU A 70 3.224 11.658 -8.083 1.00 0.00 O ATOM 1095 CB GLU A 70 3.278 12.114 -4.895 1.00 0.00 C ATOM 1096 CG GLU A 70 4.648 12.743 -4.596 1.00 0.00 C ATOM 1097 CD GLU A 70 4.559 14.246 -4.269 1.00 0.00 C ATOM 1098 OE1 GLU A 70 4.438 15.064 -5.208 1.00 0.00 O ATOM 1099 OE2 GLU A 70 4.619 14.616 -3.073 1.00 0.00 O ATOM 0 H GLU A 70 1.276 11.282 -6.840 1.00 0.00 H new ATOM 0 HA GLU A 70 2.386 13.822 -5.832 1.00 0.00 H new ATOM 0 HB2 GLU A 70 2.660 12.176 -3.999 1.00 0.00 H new ATOM 0 HB3 GLU A 70 3.418 11.055 -5.113 1.00 0.00 H new ATOM 0 HG2 GLU A 70 5.107 12.220 -3.757 1.00 0.00 H new ATOM 0 HG3 GLU A 70 5.303 12.602 -5.456 1.00 0.00 H new ATOM 1106 N ASN A 71 4.047 13.721 -7.709 1.00 0.00 N ATOM 1107 CA ASN A 71 5.003 13.663 -8.800 1.00 0.00 C ATOM 1108 C ASN A 71 6.288 13.051 -8.250 1.00 0.00 C ATOM 1109 O ASN A 71 6.974 13.681 -7.444 1.00 0.00 O ATOM 1110 CB ASN A 71 5.275 15.041 -9.421 1.00 0.00 C ATOM 1111 CG ASN A 71 6.485 14.987 -10.357 1.00 0.00 C ATOM 1112 OD1 ASN A 71 7.378 15.823 -10.284 1.00 0.00 O ATOM 1113 ND2 ASN A 71 6.566 13.986 -11.223 1.00 0.00 N ATOM 0 H ASN A 71 4.007 14.621 -7.231 1.00 0.00 H new ATOM 0 HA ASN A 71 4.593 13.053 -9.605 1.00 0.00 H new ATOM 0 HB2 ASN A 71 4.397 15.375 -9.974 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.452 15.772 -8.632 1.00 0.00 H new ATOM 0 HD21 ASN A 71 7.377 13.907 -11.836 1.00 0.00 H new ATOM 0 HD22 ASN A 71 5.817 13.295 -11.276 1.00 0.00 H new ATOM 1120 N ALA A 72 6.610 11.827 -8.676 1.00 0.00 N ATOM 1121 CA ALA A 72 7.818 11.139 -8.236 1.00 0.00 C ATOM 1122 C ALA A 72 9.092 11.859 -8.708 1.00 0.00 C ATOM 1123 O ALA A 72 10.119 11.787 -8.033 1.00 0.00 O ATOM 1124 CB ALA A 72 7.792 9.695 -8.740 1.00 0.00 C ATOM 0 H ALA A 72 6.042 11.291 -9.332 1.00 0.00 H new ATOM 0 HA ALA A 72 7.838 11.144 -7.146 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.694 9.179 -8.412 1.00 0.00 H new ATOM 0 HB2 ALA A 72 6.916 9.185 -8.339 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.747 9.691 -9.829 1.00 0.00 H new ATOM 1130 N GLY A 73 9.029 12.549 -9.851 1.00 0.00 N ATOM 1131 CA GLY A 73 10.136 13.277 -10.455 1.00 0.00 C ATOM 1132 C GLY A 73 9.991 13.270 -11.966 1.00 0.00 C ATOM 1133 O GLY A 73 8.902 13.007 -12.488 1.00 0.00 O ATOM 0 H GLY A 73 8.170 12.615 -10.397 1.00 0.00 H new ATOM 0 HA2 GLY A 73 10.153 14.303 -10.087 1.00 0.00 H new ATOM 0 HA3 GLY A 73 11.083 12.820 -10.169 1.00 0.00 H new ATOM 1137 N GLY A 74 11.083 13.561 -12.668 1.00 0.00 N ATOM 1138 CA GLY A 74 11.141 13.387 -14.107 1.00 0.00 C ATOM 1139 C GLY A 74 11.555 11.959 -14.448 1.00 0.00 C ATOM 1140 O GLY A 74 12.191 11.282 -13.643 1.00 0.00 O ATOM 0 H GLY A 74 11.943 13.921 -12.255 1.00 0.00 H new ATOM 0 HA2 GLY A 74 10.168 13.606 -14.547 1.00 0.00 H new ATOM 0 HA3 GLY A 74 11.852 14.092 -14.538 1.00 0.00 H new ATOM 1144 N LEU A 75 11.252 11.500 -15.662 1.00 0.00 N ATOM 1145 CA LEU A 75 11.659 10.185 -16.177 1.00 0.00 C ATOM 1146 C LEU A 75 13.180 10.011 -16.091 1.00 0.00 C ATOM 1147 O LEU A 75 13.674 8.931 -15.766 1.00 0.00 O ATOM 1148 CB LEU A 75 11.118 10.062 -17.620 1.00 0.00 C ATOM 1149 CG LEU A 75 11.434 8.796 -18.449 1.00 0.00 C ATOM 1150 CD1 LEU A 75 12.754 8.926 -19.222 1.00 0.00 C ATOM 1151 CD2 LEU A 75 11.411 7.489 -17.647 1.00 0.00 C ATOM 0 H LEU A 75 10.705 12.041 -16.332 1.00 0.00 H new ATOM 0 HA LEU A 75 11.240 9.380 -15.573 1.00 0.00 H new ATOM 0 HB2 LEU A 75 10.033 10.157 -17.571 1.00 0.00 H new ATOM 0 HB3 LEU A 75 11.488 10.920 -18.181 1.00 0.00 H new ATOM 0 HG LEU A 75 10.612 8.730 -19.162 1.00 0.00 H new ATOM 0 HD11 LEU A 75 12.935 8.013 -19.790 1.00 0.00 H new ATOM 0 HD12 LEU A 75 12.693 9.773 -19.906 1.00 0.00 H new ATOM 0 HD13 LEU A 75 13.573 9.085 -18.520 1.00 0.00 H new ATOM 0 HD21 LEU A 75 11.643 6.653 -18.307 1.00 0.00 H new ATOM 0 HD22 LEU A 75 12.152 7.539 -16.849 1.00 0.00 H new ATOM 0 HD23 LEU A 75 10.421 7.345 -17.214 1.00 0.00 H new ATOM 1163 N LYS A 76 13.930 11.094 -16.308 1.00 0.00 N ATOM 1164 CA LYS A 76 15.388 11.123 -16.191 1.00 0.00 C ATOM 1165 C LYS A 76 15.868 11.097 -14.729 1.00 0.00 C ATOM 1166 O LYS A 76 17.076 11.158 -14.499 1.00 0.00 O ATOM 1167 CB LYS A 76 15.928 12.367 -16.925 1.00 0.00 C ATOM 1168 CG LYS A 76 15.547 12.393 -18.416 1.00 0.00 C ATOM 1169 CD LYS A 76 16.149 13.614 -19.122 1.00 0.00 C ATOM 1170 CE LYS A 76 15.723 13.627 -20.597 1.00 0.00 C ATOM 1171 NZ LYS A 76 16.314 14.768 -21.340 1.00 0.00 N ATOM 0 H LYS A 76 13.531 11.994 -16.576 1.00 0.00 H new ATOM 0 HA LYS A 76 15.781 10.218 -16.654 1.00 0.00 H new ATOM 0 HB2 LYS A 76 15.543 13.264 -16.441 1.00 0.00 H new ATOM 0 HB3 LYS A 76 17.014 12.395 -16.832 1.00 0.00 H new ATOM 0 HG2 LYS A 76 15.897 11.481 -18.899 1.00 0.00 H new ATOM 0 HG3 LYS A 76 14.462 12.410 -18.516 1.00 0.00 H new ATOM 0 HD2 LYS A 76 15.818 14.529 -18.631 1.00 0.00 H new ATOM 0 HD3 LYS A 76 17.236 13.588 -19.049 1.00 0.00 H new ATOM 0 HE2 LYS A 76 16.025 12.692 -21.069 1.00 0.00 H new ATOM 0 HE3 LYS A 76 14.636 13.679 -20.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 16.000 14.737 -22.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 16.006 15.662 -20.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 17.352 14.706 -21.304 1.00 0.00 H new ATOM 1185 N ASP A 77 14.967 11.033 -13.742 1.00 0.00 N ATOM 1186 CA ASP A 77 15.271 11.222 -12.323 1.00 0.00 C ATOM 1187 C ASP A 77 14.694 10.122 -11.424 1.00 0.00 C ATOM 1188 O ASP A 77 15.319 9.836 -10.400 1.00 0.00 O ATOM 1189 CB ASP A 77 14.784 12.600 -11.863 1.00 0.00 C ATOM 1190 CG ASP A 77 15.141 12.863 -10.390 1.00 0.00 C ATOM 1191 OD1 ASP A 77 16.334 13.085 -10.082 1.00 0.00 O ATOM 1192 OD2 ASP A 77 14.223 12.900 -9.541 1.00 0.00 O ATOM 0 H ASP A 77 13.980 10.843 -13.915 1.00 0.00 H new ATOM 0 HA ASP A 77 16.355 11.159 -12.223 1.00 0.00 H new ATOM 0 HB2 ASP A 77 15.230 13.372 -12.490 1.00 0.00 H new ATOM 0 HB3 ASP A 77 13.704 12.667 -11.994 1.00 0.00 H new ATOM 1197 N ILE A 78 13.575 9.457 -11.774 1.00 0.00 N ATOM 1198 CA ILE A 78 13.160 8.247 -11.048 1.00 0.00 C ATOM 1199 C ILE A 78 14.326 7.242 -11.115 1.00 0.00 C ATOM 1200 O ILE A 78 14.906 7.018 -12.183 1.00 0.00 O ATOM 1201 CB ILE A 78 11.818 7.650 -11.566 1.00 0.00 C ATOM 1202 CG1 ILE A 78 10.574 8.430 -11.080 1.00 0.00 C ATOM 1203 CG2 ILE A 78 11.615 6.202 -11.069 1.00 0.00 C ATOM 1204 CD1 ILE A 78 10.405 9.815 -11.692 1.00 0.00 C ATOM 0 H ILE A 78 12.957 9.731 -12.537 1.00 0.00 H new ATOM 0 HA ILE A 78 12.948 8.501 -10.009 1.00 0.00 H new ATOM 0 HB ILE A 78 11.901 7.706 -12.651 1.00 0.00 H new ATOM 0 HG12 ILE A 78 9.684 7.840 -11.301 1.00 0.00 H new ATOM 0 HG13 ILE A 78 10.628 8.532 -9.996 1.00 0.00 H new ATOM 0 HG21 ILE A 78 10.669 5.816 -11.449 1.00 0.00 H new ATOM 0 HG22 ILE A 78 12.432 5.576 -11.428 1.00 0.00 H new ATOM 0 HG23 ILE A 78 11.600 6.190 -9.979 1.00 0.00 H new ATOM 0 HD11 ILE A 78 9.506 10.283 -11.290 1.00 0.00 H new ATOM 0 HD12 ILE A 78 11.273 10.428 -11.450 1.00 0.00 H new ATOM 0 HD13 ILE A 78 10.315 9.726 -12.775 1.00 0.00 H new ATOM 1216 N ALA A 79 14.638 6.621 -9.973 1.00 0.00 N ATOM 1217 CA ALA A 79 15.768 5.719 -9.775 1.00 0.00 C ATOM 1218 C ALA A 79 15.236 4.346 -9.343 1.00 0.00 C ATOM 1219 O ALA A 79 15.614 3.806 -8.302 1.00 0.00 O ATOM 1220 CB ALA A 79 16.753 6.346 -8.777 1.00 0.00 C ATOM 0 H ALA A 79 14.083 6.741 -9.126 1.00 0.00 H new ATOM 0 HA ALA A 79 16.325 5.566 -10.699 1.00 0.00 H new ATOM 0 HB1 ALA A 79 17.598 5.673 -8.628 1.00 0.00 H new ATOM 0 HB2 ALA A 79 17.112 7.298 -9.169 1.00 0.00 H new ATOM 0 HB3 ALA A 79 16.250 6.513 -7.825 1.00 0.00 H new ATOM 1226 N MET A 80 14.305 3.814 -10.137 1.00 0.00 N ATOM 1227 CA MET A 80 13.660 2.515 -9.960 1.00 0.00 C ATOM 1228 C MET A 80 13.660 1.806 -11.323 1.00 0.00 C ATOM 1229 O MET A 80 13.803 2.493 -12.341 1.00 0.00 O ATOM 1230 CB MET A 80 12.225 2.704 -9.435 1.00 0.00 C ATOM 1231 CG MET A 80 12.200 3.246 -8.000 1.00 0.00 C ATOM 1232 SD MET A 80 10.550 3.548 -7.305 1.00 0.00 S ATOM 1233 CE MET A 80 9.867 1.866 -7.266 1.00 0.00 C ATOM 0 H MET A 80 13.964 4.305 -10.964 1.00 0.00 H new ATOM 0 HA MET A 80 14.198 1.912 -9.229 1.00 0.00 H new ATOM 0 HB2 MET A 80 11.688 3.390 -10.090 1.00 0.00 H new ATOM 0 HB3 MET A 80 11.698 1.750 -9.471 1.00 0.00 H new ATOM 0 HG2 MET A 80 12.723 2.540 -7.355 1.00 0.00 H new ATOM 0 HG3 MET A 80 12.762 4.179 -7.973 1.00 0.00 H new ATOM 0 HE1 MET A 80 8.916 1.872 -6.734 1.00 0.00 H new ATOM 0 HE2 MET A 80 9.710 1.513 -8.285 1.00 0.00 H new ATOM 0 HE3 MET A 80 10.565 1.202 -6.756 1.00 0.00 H new ATOM 1243 N PRO A 81 13.538 0.464 -11.375 1.00 0.00 N ATOM 1244 CA PRO A 81 13.601 -0.293 -12.622 1.00 0.00 C ATOM 1245 C PRO A 81 12.603 0.194 -13.680 1.00 0.00 C ATOM 1246 O PRO A 81 11.493 0.644 -13.369 1.00 0.00 O ATOM 1247 CB PRO A 81 13.356 -1.757 -12.245 1.00 0.00 C ATOM 1248 CG PRO A 81 13.793 -1.828 -10.785 1.00 0.00 C ATOM 1249 CD PRO A 81 13.426 -0.448 -10.243 1.00 0.00 C ATOM 0 HA PRO A 81 14.576 -0.156 -13.090 1.00 0.00 H new ATOM 0 HB2 PRO A 81 12.308 -2.032 -12.364 1.00 0.00 H new ATOM 0 HB3 PRO A 81 13.936 -2.435 -12.871 1.00 0.00 H new ATOM 0 HG2 PRO A 81 13.275 -2.622 -10.248 1.00 0.00 H new ATOM 0 HG3 PRO A 81 14.861 -2.025 -10.694 1.00 0.00 H new ATOM 0 HD2 PRO A 81 12.415 -0.444 -9.836 1.00 0.00 H new ATOM 0 HD3 PRO A 81 14.096 -0.154 -9.435 1.00 0.00 H new ATOM 1257 N LYS A 82 12.988 0.046 -14.949 1.00 0.00 N ATOM 1258 CA LYS A 82 12.218 0.493 -16.101 1.00 0.00 C ATOM 1259 C LYS A 82 12.059 -0.666 -17.078 1.00 0.00 C ATOM 1260 O LYS A 82 12.827 -1.631 -17.058 1.00 0.00 O ATOM 1261 CB LYS A 82 12.914 1.696 -16.766 1.00 0.00 C ATOM 1262 CG LYS A 82 12.931 2.946 -15.869 1.00 0.00 C ATOM 1263 CD LYS A 82 13.770 4.063 -16.496 1.00 0.00 C ATOM 1264 CE LYS A 82 13.789 5.310 -15.602 1.00 0.00 C ATOM 1265 NZ LYS A 82 14.744 6.324 -16.109 1.00 0.00 N ATOM 0 H LYS A 82 13.868 -0.401 -15.206 1.00 0.00 H new ATOM 0 HA LYS A 82 11.227 0.817 -15.783 1.00 0.00 H new ATOM 0 HB2 LYS A 82 13.938 1.423 -17.020 1.00 0.00 H new ATOM 0 HB3 LYS A 82 12.406 1.932 -17.701 1.00 0.00 H new ATOM 0 HG2 LYS A 82 11.912 3.298 -15.711 1.00 0.00 H new ATOM 0 HG3 LYS A 82 13.335 2.689 -14.890 1.00 0.00 H new ATOM 0 HD2 LYS A 82 14.789 3.711 -16.655 1.00 0.00 H new ATOM 0 HD3 LYS A 82 13.365 4.320 -17.475 1.00 0.00 H new ATOM 0 HE2 LYS A 82 12.789 5.741 -15.555 1.00 0.00 H new ATOM 0 HE3 LYS A 82 14.062 5.027 -14.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 14.359 7.276 -15.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 15.652 6.226 -15.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 14.892 6.182 -17.129 1.00 0.00 H new ATOM 1279 N VAL A 83 11.053 -0.551 -17.933 1.00 0.00 N ATOM 1280 CA VAL A 83 10.606 -1.525 -18.918 1.00 0.00 C ATOM 1281 C VAL A 83 10.378 -0.718 -20.213 1.00 0.00 C ATOM 1282 O VAL A 83 10.431 0.515 -20.187 1.00 0.00 O ATOM 1283 CB VAL A 83 9.359 -2.250 -18.342 1.00 0.00 C ATOM 1284 CG1 VAL A 83 8.752 -3.290 -19.297 1.00 0.00 C ATOM 1285 CG2 VAL A 83 9.686 -2.986 -17.026 1.00 0.00 C ATOM 0 H VAL A 83 10.483 0.294 -17.957 1.00 0.00 H new ATOM 0 HA VAL A 83 11.313 -2.322 -19.147 1.00 0.00 H new ATOM 0 HB VAL A 83 8.637 -1.450 -18.180 1.00 0.00 H new ATOM 0 HG11 VAL A 83 7.886 -3.754 -18.826 1.00 0.00 H new ATOM 0 HG12 VAL A 83 8.444 -2.800 -20.220 1.00 0.00 H new ATOM 0 HG13 VAL A 83 9.496 -4.054 -19.523 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.789 -3.481 -16.653 1.00 0.00 H new ATOM 0 HG22 VAL A 83 10.462 -3.730 -17.208 1.00 0.00 H new ATOM 0 HG23 VAL A 83 10.038 -2.268 -16.285 1.00 0.00 H new ATOM 1295 N LYS A 84 10.198 -1.371 -21.365 1.00 0.00 N ATOM 1296 CA LYS A 84 10.184 -0.715 -22.678 1.00 0.00 C ATOM 1297 C LYS A 84 8.933 -1.126 -23.450 1.00 0.00 C ATOM 1298 O LYS A 84 8.295 -2.126 -23.107 1.00 0.00 O ATOM 1299 CB LYS A 84 11.454 -1.075 -23.472 1.00 0.00 C ATOM 1300 CG LYS A 84 12.762 -0.746 -22.727 1.00 0.00 C ATOM 1301 CD LYS A 84 14.022 -1.070 -23.547 1.00 0.00 C ATOM 1302 CE LYS A 84 14.157 -0.192 -24.800 1.00 0.00 C ATOM 1303 NZ LYS A 84 15.392 -0.493 -25.566 1.00 0.00 N ATOM 0 H LYS A 84 10.056 -2.380 -21.414 1.00 0.00 H new ATOM 0 HA LYS A 84 10.168 0.365 -22.534 1.00 0.00 H new ATOM 0 HB2 LYS A 84 11.437 -2.140 -23.705 1.00 0.00 H new ATOM 0 HB3 LYS A 84 11.442 -0.540 -24.422 1.00 0.00 H new ATOM 0 HG2 LYS A 84 12.768 0.312 -22.466 1.00 0.00 H new ATOM 0 HG3 LYS A 84 12.791 -1.305 -21.792 1.00 0.00 H new ATOM 0 HD2 LYS A 84 14.903 -0.937 -22.919 1.00 0.00 H new ATOM 0 HD3 LYS A 84 13.997 -2.118 -23.844 1.00 0.00 H new ATOM 0 HE2 LYS A 84 13.288 -0.341 -25.441 1.00 0.00 H new ATOM 0 HE3 LYS A 84 14.160 0.858 -24.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 15.441 0.123 -26.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 16.223 -0.326 -24.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 15.379 -1.488 -25.869 1.00 0.00 H new ATOM 1317 N GLY A 85 8.580 -0.347 -24.475 1.00 0.00 N ATOM 1318 CA GLY A 85 7.482 -0.654 -25.383 1.00 0.00 C ATOM 1319 C GLY A 85 7.683 -2.031 -26.006 1.00 0.00 C ATOM 1320 O GLY A 85 8.805 -2.318 -26.475 1.00 0.00 O ATOM 1321 OXT GLY A 85 6.716 -2.817 -26.042 1.00 0.00 O ATOM 0 H GLY A 85 9.058 0.526 -24.697 1.00 0.00 H new ATOM 0 HA2 GLY A 85 6.535 -0.626 -24.843 1.00 0.00 H new ATOM 0 HA3 GLY A 85 7.425 0.103 -26.166 1.00 0.00 H new TER 1325 GLY A 85