USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=16 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 67 THR OG1 : rot 180:sc= -0.117 USER MOD Set 1.2: A 68 HIS : no HD1:sc= 0 X(o=-0.12,f=-0.12) USER MOD Set 2.1: A 48 CYS SG : rot -77:sc= 0.83 USER MOD Set 2.2: A 54 SER OG : rot -174:sc= 1.78 USER MOD Set 2.3: A 71 ASN : amide:sc= 0.194 K(o=2.8,f=-0.79!) USER MOD Set 3.1: A 17 HIS : no HD1:sc= 0.241 K(o=0.72,f=-0.29) USER MOD Set 3.2: A 47 TYR OH : rot -62:sc= 0.483 USER MOD Set 4.1: A 12 GLN : amide:sc= 0.742 K(o=3.7,f=-9.6) USER MOD Set 4.2: A 49 ASN : amide:sc= 1.94 K(o=3.7,f=-8.1!) USER MOD Set 4.3: A 76 LYS NZ :NH3+ 159:sc= 1.01 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.25 X(o=-0.25,f=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0.631 K(o=0.63,f=-0.049) USER MOD Single : A 15 GLN : amide:sc= 0.998 K(o=1,f=0) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 ASN : amide:sc= 1.45 K(o=1.5,f=-0.42) 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 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -176:sc= 1.18 (180deg=1.17) USER MOD Single : A 41 ASN : amide:sc=-0.00902 X(o=-0.009,f=-0.009) USER MOD Single : A 43 THR OG1 : rot 86:sc= 0.861 USER MOD Single : A 45 LYS NZ :NH3+ 154:sc= 1.29 (180deg=1.05) USER MOD Single : A 53 GLN : amide:sc= 1.53 K(o=1.5,f=-4.6!) USER MOD Single : A 56 GLN : amide:sc= 0.962 K(o=0.96,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 87:sc= 1.3 USER MOD Single : A 64 MET CE :methyl -162:sc= -0.0457 (180deg=-0.71) USER MOD Single : A 66 TYR OH : rot -161:sc= 1.22 USER MOD Single : A 80 MET CE :methyl 169:sc=-0.000747 (180deg=-0.157) USER MOD Single : A 82 LYS NZ :NH3+ -108:sc= 1.64 (180deg=0.596) USER MOD Single : A 84 LYS NZ :NH3+ 165:sc= 2.06 (180deg=1.8) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.937 0.073 1.508 1.00 0.00 N ATOM 2 CA ALA A 1 1.496 0.022 0.096 1.00 0.00 C ATOM 3 C ALA A 1 2.113 -1.199 -0.598 1.00 0.00 C ATOM 4 O ALA A 1 3.119 -1.077 -1.299 1.00 0.00 O ATOM 5 CB ALA A 1 1.823 1.342 -0.636 1.00 0.00 C ATOM 0 H1 ALA A 1 1.516 0.902 1.973 1.00 0.00 H new ATOM 0 H2 ALA A 1 1.632 -0.792 1.999 1.00 0.00 H new ATOM 0 H3 ALA A 1 2.974 0.144 1.545 1.00 0.00 H new ATOM 0 HA ALA A 1 0.412 -0.089 0.063 1.00 0.00 H new ATOM 0 HB1 ALA A 1 1.488 1.277 -1.671 1.00 0.00 H new ATOM 0 HB2 ALA A 1 1.313 2.168 -0.141 1.00 0.00 H new ATOM 0 HB3 ALA A 1 2.899 1.514 -0.613 1.00 0.00 H new ATOM 13 N GLU A 2 1.541 -2.392 -0.411 1.00 0.00 N ATOM 14 CA GLU A 2 2.103 -3.670 -0.848 1.00 0.00 C ATOM 15 C GLU A 2 0.948 -4.654 -1.077 1.00 0.00 C ATOM 16 O GLU A 2 -0.032 -4.645 -0.326 1.00 0.00 O ATOM 17 CB GLU A 2 3.046 -4.186 0.260 1.00 0.00 C ATOM 18 CG GLU A 2 3.640 -5.580 0.005 1.00 0.00 C ATOM 19 CD GLU A 2 4.457 -6.079 1.210 1.00 0.00 C ATOM 20 OE1 GLU A 2 5.610 -5.630 1.393 1.00 0.00 O ATOM 21 OE2 GLU A 2 3.966 -6.954 1.960 1.00 0.00 O ATOM 0 H GLU A 2 0.645 -2.496 0.064 1.00 0.00 H new ATOM 0 HA GLU A 2 2.665 -3.561 -1.775 1.00 0.00 H new ATOM 0 HB2 GLU A 2 3.863 -3.475 0.382 1.00 0.00 H new ATOM 0 HB3 GLU A 2 2.499 -4.207 1.202 1.00 0.00 H new ATOM 0 HG2 GLU A 2 2.836 -6.285 -0.207 1.00 0.00 H new ATOM 0 HG3 GLU A 2 4.277 -5.548 -0.879 1.00 0.00 H new ATOM 28 N HIS A 3 1.100 -5.528 -2.072 1.00 0.00 N ATOM 29 CA HIS A 3 0.282 -6.706 -2.334 1.00 0.00 C ATOM 30 C HIS A 3 1.237 -7.809 -2.791 1.00 0.00 C ATOM 31 O HIS A 3 2.356 -7.521 -3.216 1.00 0.00 O ATOM 32 CB HIS A 3 -0.744 -6.449 -3.450 1.00 0.00 C ATOM 33 CG HIS A 3 -1.774 -5.389 -3.152 1.00 0.00 C ATOM 34 ND1 HIS A 3 -2.612 -5.326 -2.060 1.00 0.00 N ATOM 35 CD2 HIS A 3 -2.090 -4.334 -3.962 1.00 0.00 C ATOM 36 CE1 HIS A 3 -3.402 -4.249 -2.205 1.00 0.00 C ATOM 37 NE2 HIS A 3 -3.126 -3.610 -3.357 1.00 0.00 N ATOM 0 H HIS A 3 1.847 -5.423 -2.759 1.00 0.00 H new ATOM 0 HA HIS A 3 -0.270 -6.976 -1.434 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -0.207 -6.165 -4.355 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -1.262 -7.384 -3.666 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -1.621 -4.099 -4.906 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -4.155 -3.939 -1.495 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -3.579 -2.770 -3.716 1.00 0.00 H new ATOM 45 N TRP A 4 0.784 -9.060 -2.786 1.00 0.00 N ATOM 46 CA TRP A 4 1.564 -10.194 -3.258 1.00 0.00 C ATOM 47 C TRP A 4 0.685 -10.965 -4.226 1.00 0.00 C ATOM 48 O TRP A 4 -0.451 -11.303 -3.878 1.00 0.00 O ATOM 49 CB TRP A 4 1.949 -11.092 -2.081 1.00 0.00 C ATOM 50 CG TRP A 4 2.980 -10.556 -1.136 1.00 0.00 C ATOM 51 CD1 TRP A 4 2.762 -9.627 -0.180 1.00 0.00 C ATOM 52 CD2 TRP A 4 4.388 -10.932 -1.006 1.00 0.00 C ATOM 53 NE1 TRP A 4 3.922 -9.394 0.523 1.00 0.00 N ATOM 54 CE2 TRP A 4 4.952 -10.199 0.082 1.00 0.00 C ATOM 55 CE3 TRP A 4 5.242 -11.834 -1.683 1.00 0.00 C ATOM 56 CZ2 TRP A 4 6.282 -10.373 0.494 1.00 0.00 C ATOM 57 CZ3 TRP A 4 6.579 -12.009 -1.280 1.00 0.00 C ATOM 58 CH2 TRP A 4 7.100 -11.284 -0.195 1.00 0.00 C ATOM 0 H TRP A 4 -0.145 -9.314 -2.450 1.00 0.00 H new ATOM 0 HA TRP A 4 2.481 -9.859 -3.742 1.00 0.00 H new ATOM 0 HB2 TRP A 4 1.046 -11.312 -1.511 1.00 0.00 H new ATOM 0 HB3 TRP A 4 2.312 -12.039 -2.480 1.00 0.00 H new ATOM 0 HD1 TRP A 4 1.817 -9.139 0.005 1.00 0.00 H new ATOM 0 HE1 TRP A 4 4.009 -8.711 1.276 1.00 0.00 H new ATOM 0 HE3 TRP A 4 4.862 -12.397 -2.522 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 6.672 -9.813 1.331 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 7.210 -12.707 -1.810 1.00 0.00 H new ATOM 0 HH2 TRP A 4 8.127 -11.427 0.109 1.00 0.00 H new ATOM 69 N ILE A 5 1.197 -11.245 -5.423 1.00 0.00 N ATOM 70 CA ILE A 5 0.427 -11.872 -6.484 1.00 0.00 C ATOM 71 C ILE A 5 1.262 -13.029 -7.019 1.00 0.00 C ATOM 72 O ILE A 5 2.350 -12.856 -7.572 1.00 0.00 O ATOM 73 CB ILE A 5 0.000 -10.859 -7.570 1.00 0.00 C ATOM 74 CG1 ILE A 5 -0.725 -9.603 -7.022 1.00 0.00 C ATOM 75 CG2 ILE A 5 -0.917 -11.571 -8.579 1.00 0.00 C ATOM 76 CD1 ILE A 5 -2.135 -9.836 -6.479 1.00 0.00 C ATOM 0 H ILE A 5 2.163 -11.041 -5.681 1.00 0.00 H new ATOM 0 HA ILE A 5 -0.518 -12.258 -6.102 1.00 0.00 H new ATOM 0 HB ILE A 5 0.917 -10.500 -8.036 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.116 -9.172 -6.227 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -0.780 -8.861 -7.819 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.225 -10.866 -9.351 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -0.378 -12.400 -9.039 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -1.798 -11.953 -8.063 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -2.548 -8.892 -6.122 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -2.769 -10.233 -7.272 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.095 -10.549 -5.655 1.00 0.00 H new ATOM 88 N ASP A 6 0.744 -14.226 -6.797 1.00 0.00 N ATOM 89 CA ASP A 6 1.290 -15.480 -7.266 1.00 0.00 C ATOM 90 C ASP A 6 0.846 -15.667 -8.714 1.00 0.00 C ATOM 91 O ASP A 6 -0.330 -15.940 -8.969 1.00 0.00 O ATOM 92 CB ASP A 6 0.740 -16.582 -6.367 1.00 0.00 C ATOM 93 CG ASP A 6 1.130 -17.977 -6.819 1.00 0.00 C ATOM 94 OD1 ASP A 6 2.272 -18.204 -7.264 1.00 0.00 O ATOM 95 OD2 ASP A 6 0.280 -18.881 -6.667 1.00 0.00 O ATOM 0 H ASP A 6 -0.112 -14.351 -6.257 1.00 0.00 H new ATOM 0 HA ASP A 6 2.379 -15.503 -7.229 1.00 0.00 H new ATOM 0 HB2 ASP A 6 1.098 -16.424 -5.350 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -0.347 -16.508 -6.337 1.00 0.00 H new ATOM 100 N VAL A 7 1.762 -15.470 -9.664 1.00 0.00 N ATOM 101 CA VAL A 7 1.478 -15.543 -11.101 1.00 0.00 C ATOM 102 C VAL A 7 1.658 -16.964 -11.654 1.00 0.00 C ATOM 103 O VAL A 7 1.547 -17.194 -12.862 1.00 0.00 O ATOM 104 CB VAL A 7 2.283 -14.479 -11.874 1.00 0.00 C ATOM 105 CG1 VAL A 7 1.988 -13.070 -11.337 1.00 0.00 C ATOM 106 CG2 VAL A 7 3.799 -14.726 -11.860 1.00 0.00 C ATOM 0 H VAL A 7 2.736 -15.252 -9.455 1.00 0.00 H new ATOM 0 HA VAL A 7 0.424 -15.308 -11.251 1.00 0.00 H new ATOM 0 HB VAL A 7 1.954 -14.559 -12.910 1.00 0.00 H new ATOM 0 HG11 VAL A 7 2.568 -12.338 -11.899 1.00 0.00 H new ATOM 0 HG12 VAL A 7 0.925 -12.854 -11.448 1.00 0.00 H new ATOM 0 HG13 VAL A 7 2.261 -13.018 -10.283 1.00 0.00 H new ATOM 0 HG21 VAL A 7 4.301 -13.939 -12.423 1.00 0.00 H new ATOM 0 HG22 VAL A 7 4.159 -14.722 -10.831 1.00 0.00 H new ATOM 0 HG23 VAL A 7 4.014 -15.692 -12.316 1.00 0.00 H new ATOM 116 N ARG A 8 1.975 -17.911 -10.771 1.00 0.00 N ATOM 117 CA ARG A 8 2.114 -19.336 -11.037 1.00 0.00 C ATOM 118 C ARG A 8 0.779 -19.923 -11.490 1.00 0.00 C ATOM 119 O ARG A 8 -0.283 -19.354 -11.216 1.00 0.00 O ATOM 120 CB ARG A 8 2.492 -19.950 -9.688 1.00 0.00 C ATOM 121 CG ARG A 8 3.050 -21.371 -9.616 1.00 0.00 C ATOM 122 CD ARG A 8 3.479 -21.740 -8.178 1.00 0.00 C ATOM 123 NE ARG A 8 2.669 -21.091 -7.130 1.00 0.00 N ATOM 124 CZ ARG A 8 2.226 -21.636 -5.996 1.00 0.00 C ATOM 125 NH1 ARG A 8 2.634 -22.830 -5.575 1.00 0.00 N ATOM 126 NH2 ARG A 8 1.343 -20.969 -5.281 1.00 0.00 N ATOM 0 H ARG A 8 2.152 -17.686 -9.792 1.00 0.00 H new ATOM 0 HA ARG A 8 2.849 -19.532 -11.818 1.00 0.00 H new ATOM 0 HB2 ARG A 8 3.228 -19.291 -9.229 1.00 0.00 H new ATOM 0 HB3 ARG A 8 1.602 -19.921 -9.060 1.00 0.00 H new ATOM 0 HG2 ARG A 8 2.296 -22.077 -9.964 1.00 0.00 H new ATOM 0 HG3 ARG A 8 3.905 -21.462 -10.286 1.00 0.00 H new ATOM 0 HD2 ARG A 8 3.415 -22.821 -8.056 1.00 0.00 H new ATOM 0 HD3 ARG A 8 4.524 -21.465 -8.039 1.00 0.00 H new ATOM 0 HE ARG A 8 2.419 -20.115 -7.291 1.00 0.00 H new ATOM 0 HH11 ARG A 8 3.309 -23.362 -6.125 1.00 0.00 H new ATOM 0 HH12 ARG A 8 2.272 -23.214 -4.702 1.00 0.00 H new ATOM 0 HH21 ARG A 8 1.014 -20.057 -5.599 1.00 0.00 H new ATOM 0 HH22 ARG A 8 0.989 -21.364 -4.410 1.00 0.00 H new ATOM 140 N VAL A 9 0.830 -21.104 -12.103 1.00 0.00 N ATOM 141 CA VAL A 9 -0.375 -21.847 -12.444 1.00 0.00 C ATOM 142 C VAL A 9 -1.197 -22.164 -11.181 1.00 0.00 C ATOM 143 O VAL A 9 -0.619 -22.424 -10.119 1.00 0.00 O ATOM 144 CB VAL A 9 -0.029 -23.104 -13.275 1.00 0.00 C ATOM 145 CG1 VAL A 9 0.559 -22.708 -14.638 1.00 0.00 C ATOM 146 CG2 VAL A 9 0.946 -24.061 -12.567 1.00 0.00 C ATOM 0 H VAL A 9 1.698 -21.566 -12.373 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.008 -21.225 -13.076 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.971 -23.637 -13.406 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.796 -23.607 -15.207 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.168 -22.111 -15.188 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.467 -22.125 -14.487 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.143 -24.920 -13.209 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.881 -23.540 -12.360 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.505 -24.402 -11.630 1.00 0.00 H new ATOM 156 N PRO A 10 -2.541 -22.176 -11.273 1.00 0.00 N ATOM 157 CA PRO A 10 -3.400 -22.292 -10.101 1.00 0.00 C ATOM 158 C PRO A 10 -3.316 -23.679 -9.451 1.00 0.00 C ATOM 159 O PRO A 10 -3.526 -23.804 -8.246 1.00 0.00 O ATOM 160 CB PRO A 10 -4.809 -21.953 -10.594 1.00 0.00 C ATOM 161 CG PRO A 10 -4.777 -22.341 -12.070 1.00 0.00 C ATOM 162 CD PRO A 10 -3.347 -21.989 -12.473 1.00 0.00 C ATOM 0 HA PRO A 10 -3.088 -21.612 -9.309 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -5.570 -22.512 -10.049 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -5.036 -20.895 -10.463 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -4.991 -23.400 -12.216 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -5.511 -21.784 -12.652 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -2.999 -22.631 -13.282 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -3.283 -20.962 -12.831 1.00 0.00 H new ATOM 170 N GLU A 11 -2.951 -24.716 -10.212 1.00 0.00 N ATOM 171 CA GLU A 11 -2.825 -26.083 -9.712 1.00 0.00 C ATOM 172 C GLU A 11 -1.789 -26.173 -8.582 1.00 0.00 C ATOM 173 O GLU A 11 -1.940 -26.986 -7.671 1.00 0.00 O ATOM 174 CB GLU A 11 -2.451 -26.997 -10.893 1.00 0.00 C ATOM 175 CG GLU A 11 -2.541 -28.501 -10.590 1.00 0.00 C ATOM 176 CD GLU A 11 -3.990 -28.971 -10.356 1.00 0.00 C ATOM 177 OE1 GLU A 11 -4.732 -29.181 -11.343 1.00 0.00 O ATOM 178 OE2 GLU A 11 -4.396 -29.161 -9.189 1.00 0.00 O ATOM 0 H GLU A 11 -2.733 -24.625 -11.204 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.774 -26.407 -9.285 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.106 -26.769 -11.734 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.434 -26.763 -11.209 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.110 -29.062 -11.420 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.942 -28.727 -9.708 1.00 0.00 H new ATOM 185 N GLN A 12 -0.747 -25.334 -8.605 1.00 0.00 N ATOM 186 CA GLN A 12 0.272 -25.324 -7.559 1.00 0.00 C ATOM 187 C GLN A 12 -0.164 -24.420 -6.397 1.00 0.00 C ATOM 188 O GLN A 12 0.177 -24.695 -5.248 1.00 0.00 O ATOM 189 CB GLN A 12 1.614 -24.897 -8.166 1.00 0.00 C ATOM 190 CG GLN A 12 2.139 -25.903 -9.209 1.00 0.00 C ATOM 191 CD GLN A 12 3.453 -25.466 -9.864 1.00 0.00 C ATOM 192 OE1 GLN A 12 4.262 -24.747 -9.282 1.00 0.00 O ATOM 193 NE2 GLN A 12 3.704 -25.885 -11.093 1.00 0.00 N ATOM 0 H GLN A 12 -0.590 -24.649 -9.345 1.00 0.00 H new ATOM 0 HA GLN A 12 0.396 -26.325 -7.146 1.00 0.00 H new ATOM 0 HB2 GLN A 12 1.502 -23.919 -8.634 1.00 0.00 H new ATOM 0 HB3 GLN A 12 2.350 -24.787 -7.370 1.00 0.00 H new ATOM 0 HG2 GLN A 12 2.285 -26.871 -8.729 1.00 0.00 H new ATOM 0 HG3 GLN A 12 1.384 -26.041 -9.983 1.00 0.00 H new ATOM 0 HE21 GLN A 12 3.032 -26.482 -11.576 1.00 0.00 H new ATOM 0 HE22 GLN A 12 4.569 -25.611 -11.558 1.00 0.00 H new ATOM 202 N TYR A 13 -0.970 -23.386 -6.656 1.00 0.00 N ATOM 203 CA TYR A 13 -1.629 -22.591 -5.616 1.00 0.00 C ATOM 204 C TYR A 13 -2.542 -23.461 -4.747 1.00 0.00 C ATOM 205 O TYR A 13 -2.589 -23.280 -3.531 1.00 0.00 O ATOM 206 CB TYR A 13 -2.350 -21.396 -6.263 1.00 0.00 C ATOM 207 CG TYR A 13 -3.706 -21.005 -5.698 1.00 0.00 C ATOM 208 CD1 TYR A 13 -3.788 -20.333 -4.466 1.00 0.00 C ATOM 209 CD2 TYR A 13 -4.880 -21.254 -6.435 1.00 0.00 C ATOM 210 CE1 TYR A 13 -5.031 -19.909 -3.965 1.00 0.00 C ATOM 211 CE2 TYR A 13 -6.127 -20.822 -5.949 1.00 0.00 C ATOM 212 CZ TYR A 13 -6.209 -20.149 -4.708 1.00 0.00 C ATOM 213 OH TYR A 13 -7.425 -19.744 -4.243 1.00 0.00 O ATOM 0 H TYR A 13 -1.185 -23.074 -7.603 1.00 0.00 H new ATOM 0 HA TYR A 13 -0.882 -22.186 -4.933 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -1.693 -20.529 -6.193 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -2.478 -21.614 -7.323 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.889 -20.141 -3.900 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -4.822 -21.779 -7.377 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -5.086 -19.401 -3.014 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -7.023 -21.004 -6.524 1.00 0.00 H new ATOM 0 HH TYR A 13 -8.121 -19.993 -4.887 1.00 0.00 H new ATOM 223 N GLN A 14 -3.197 -24.465 -5.339 1.00 0.00 N ATOM 224 CA GLN A 14 -3.981 -25.460 -4.608 1.00 0.00 C ATOM 225 C GLN A 14 -3.116 -26.422 -3.768 1.00 0.00 C ATOM 226 O GLN A 14 -3.674 -27.299 -3.109 1.00 0.00 O ATOM 227 CB GLN A 14 -4.883 -26.222 -5.600 1.00 0.00 C ATOM 228 CG GLN A 14 -5.975 -25.341 -6.233 1.00 0.00 C ATOM 229 CD GLN A 14 -7.005 -24.871 -5.204 1.00 0.00 C ATOM 230 OE1 GLN A 14 -7.872 -25.629 -4.776 1.00 0.00 O ATOM 231 NE2 GLN A 14 -6.933 -23.622 -4.768 1.00 0.00 N ATOM 0 H GLN A 14 -3.196 -24.609 -6.349 1.00 0.00 H new ATOM 0 HA GLN A 14 -4.600 -24.931 -3.884 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -4.264 -26.645 -6.391 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -5.355 -27.057 -5.083 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -5.512 -24.474 -6.704 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -6.480 -25.900 -7.021 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -6.211 -22.997 -5.127 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -7.600 -23.285 -4.073 1.00 0.00 H new ATOM 240 N GLN A 15 -1.783 -26.277 -3.758 1.00 0.00 N ATOM 241 CA GLN A 15 -0.863 -27.153 -3.031 1.00 0.00 C ATOM 242 C GLN A 15 0.000 -26.362 -2.045 1.00 0.00 C ATOM 243 O GLN A 15 0.335 -26.879 -0.976 1.00 0.00 O ATOM 244 CB GLN A 15 0.001 -27.946 -4.026 1.00 0.00 C ATOM 245 CG GLN A 15 -0.829 -28.914 -4.884 1.00 0.00 C ATOM 246 CD GLN A 15 0.019 -29.573 -5.973 1.00 0.00 C ATOM 247 OE1 GLN A 15 0.865 -30.423 -5.703 1.00 0.00 O ATOM 248 NE2 GLN A 15 -0.183 -29.195 -7.225 1.00 0.00 N ATOM 0 H GLN A 15 -1.308 -25.531 -4.267 1.00 0.00 H new ATOM 0 HA GLN A 15 -1.449 -27.859 -2.443 1.00 0.00 H new ATOM 0 HB2 GLN A 15 0.530 -27.251 -4.677 1.00 0.00 H new ATOM 0 HB3 GLN A 15 0.757 -28.508 -3.478 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -1.265 -29.683 -4.247 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -1.657 -28.374 -5.344 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -0.888 -28.489 -7.437 1.00 0.00 H new ATOM 0 HE22 GLN A 15 0.366 -29.610 -7.978 1.00 0.00 H new ATOM 257 N GLU A 16 0.324 -25.103 -2.346 1.00 0.00 N ATOM 258 CA GLU A 16 0.949 -24.179 -1.407 1.00 0.00 C ATOM 259 C GLU A 16 0.698 -22.744 -1.873 1.00 0.00 C ATOM 260 O GLU A 16 0.725 -22.485 -3.077 1.00 0.00 O ATOM 261 CB GLU A 16 2.455 -24.476 -1.305 1.00 0.00 C ATOM 262 CG GLU A 16 3.096 -23.830 -0.067 1.00 0.00 C ATOM 263 CD GLU A 16 4.486 -24.411 0.222 1.00 0.00 C ATOM 264 OE1 GLU A 16 4.572 -25.631 0.498 1.00 0.00 O ATOM 265 OE2 GLU A 16 5.473 -23.642 0.199 1.00 0.00 O ATOM 0 H GLU A 16 0.155 -24.693 -3.265 1.00 0.00 H new ATOM 0 HA GLU A 16 0.515 -24.304 -0.415 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.608 -25.555 -1.269 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.956 -24.112 -2.202 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.176 -22.754 -0.219 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.451 -23.983 0.798 1.00 0.00 H new ATOM 272 N HIS A 17 0.513 -21.805 -0.945 1.00 0.00 N ATOM 273 CA HIS A 17 0.365 -20.371 -1.197 1.00 0.00 C ATOM 274 C HIS A 17 0.841 -19.617 0.052 1.00 0.00 C ATOM 275 O HIS A 17 0.831 -20.194 1.141 1.00 0.00 O ATOM 276 CB HIS A 17 -1.118 -20.082 -1.475 1.00 0.00 C ATOM 277 CG HIS A 17 -1.414 -18.741 -2.095 1.00 0.00 C ATOM 278 ND1 HIS A 17 -0.816 -18.193 -3.209 1.00 0.00 N ATOM 279 CD2 HIS A 17 -2.435 -17.901 -1.734 1.00 0.00 C ATOM 280 CE1 HIS A 17 -1.453 -17.048 -3.496 1.00 0.00 C ATOM 281 NE2 HIS A 17 -2.456 -16.828 -2.631 1.00 0.00 N ATOM 0 H HIS A 17 0.460 -22.033 0.048 1.00 0.00 H new ATOM 0 HA HIS A 17 0.956 -20.051 -2.055 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -1.504 -20.860 -2.133 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -1.667 -20.157 -0.536 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -3.107 -18.043 -0.901 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -1.194 -16.391 -4.313 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -3.102 -16.039 -2.628 1.00 0.00 H new ATOM 289 N VAL A 18 1.248 -18.349 -0.064 1.00 0.00 N ATOM 290 CA VAL A 18 1.514 -17.510 1.111 1.00 0.00 C ATOM 291 C VAL A 18 0.175 -17.198 1.794 1.00 0.00 C ATOM 292 O VAL A 18 -0.831 -16.954 1.125 1.00 0.00 O ATOM 293 CB VAL A 18 2.278 -16.223 0.714 1.00 0.00 C ATOM 294 CG1 VAL A 18 2.551 -15.293 1.909 1.00 0.00 C ATOM 295 CG2 VAL A 18 3.638 -16.553 0.087 1.00 0.00 C ATOM 0 H VAL A 18 1.400 -17.881 -0.957 1.00 0.00 H new ATOM 0 HA VAL A 18 2.157 -18.041 1.813 1.00 0.00 H new ATOM 0 HB VAL A 18 1.626 -15.718 0.001 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.089 -14.409 1.567 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.605 -14.991 2.358 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.153 -15.820 2.650 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.149 -15.628 -0.181 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.244 -17.108 0.803 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.489 -17.157 -0.808 1.00 0.00 H new ATOM 305 N GLN A 19 0.171 -17.142 3.129 1.00 0.00 N ATOM 306 CA GLN A 19 -0.963 -16.744 3.964 1.00 0.00 C ATOM 307 C GLN A 19 -1.154 -15.209 3.937 1.00 0.00 C ATOM 308 O GLN A 19 -1.235 -14.562 4.983 1.00 0.00 O ATOM 309 CB GLN A 19 -0.731 -17.317 5.379 1.00 0.00 C ATOM 310 CG GLN A 19 -1.997 -17.361 6.251 1.00 0.00 C ATOM 311 CD GLN A 19 -1.700 -17.964 7.625 1.00 0.00 C ATOM 312 OE1 GLN A 19 -2.002 -19.123 7.896 1.00 0.00 O ATOM 313 NE2 GLN A 19 -1.098 -17.199 8.523 1.00 0.00 N ATOM 0 H GLN A 19 0.995 -17.384 3.680 1.00 0.00 H new ATOM 0 HA GLN A 19 -1.899 -17.151 3.581 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -0.328 -18.326 5.290 1.00 0.00 H new ATOM 0 HB3 GLN A 19 0.025 -16.716 5.884 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -2.394 -16.353 6.371 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -2.766 -17.950 5.751 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -0.850 -16.237 8.290 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -0.882 -17.572 9.448 1.00 0.00 H new ATOM 322 N GLY A 20 -1.154 -14.599 2.749 1.00 0.00 N ATOM 323 CA GLY A 20 -1.199 -13.148 2.588 1.00 0.00 C ATOM 324 C GLY A 20 -0.956 -12.726 1.142 1.00 0.00 C ATOM 325 O GLY A 20 -0.177 -11.804 0.900 1.00 0.00 O ATOM 0 H GLY A 20 -1.122 -15.106 1.864 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.170 -12.777 2.916 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.448 -12.688 3.231 1.00 0.00 H new ATOM 329 N ALA A 21 -1.560 -13.433 0.183 1.00 0.00 N ATOM 330 CA ALA A 21 -1.359 -13.242 -1.250 1.00 0.00 C ATOM 331 C ALA A 21 -2.659 -13.552 -2.004 1.00 0.00 C ATOM 332 O ALA A 21 -3.669 -13.913 -1.390 1.00 0.00 O ATOM 333 CB ALA A 21 -0.217 -14.161 -1.709 1.00 0.00 C ATOM 0 H ALA A 21 -2.224 -14.178 0.393 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.091 -12.207 -1.463 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.053 -14.031 -2.779 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.695 -13.906 -1.169 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.481 -15.199 -1.506 1.00 0.00 H new ATOM 339 N ILE A 22 -2.621 -13.428 -3.332 1.00 0.00 N ATOM 340 CA ILE A 22 -3.681 -13.849 -4.243 1.00 0.00 C ATOM 341 C ILE A 22 -2.999 -14.653 -5.348 1.00 0.00 C ATOM 342 O ILE A 22 -1.902 -14.286 -5.772 1.00 0.00 O ATOM 343 CB ILE A 22 -4.451 -12.647 -4.864 1.00 0.00 C ATOM 344 CG1 ILE A 22 -4.358 -11.334 -4.043 1.00 0.00 C ATOM 345 CG2 ILE A 22 -5.913 -13.068 -5.105 1.00 0.00 C ATOM 346 CD1 ILE A 22 -5.175 -10.162 -4.604 1.00 0.00 C ATOM 0 H ILE A 22 -1.823 -13.017 -3.817 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.423 -14.433 -3.698 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.967 -12.403 -5.810 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.690 -11.535 -3.025 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.312 -11.033 -3.983 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.465 -12.235 -5.540 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.939 -13.917 -5.788 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.371 -13.351 -4.157 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.047 -9.290 -3.963 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.830 -9.927 -5.611 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.229 -10.436 -4.637 1.00 0.00 H new ATOM 358 N ASN A 23 -3.629 -15.724 -5.834 1.00 0.00 N ATOM 359 CA ASN A 23 -3.176 -16.398 -7.047 1.00 0.00 C ATOM 360 C ASN A 23 -3.977 -15.823 -8.196 1.00 0.00 C ATOM 361 O ASN A 23 -5.210 -15.841 -8.169 1.00 0.00 O ATOM 362 CB ASN A 23 -3.321 -17.922 -6.985 1.00 0.00 C ATOM 363 CG ASN A 23 -2.984 -18.537 -8.348 1.00 0.00 C ATOM 364 OD1 ASN A 23 -3.850 -18.671 -9.205 1.00 0.00 O ATOM 365 ND2 ASN A 23 -1.736 -18.891 -8.601 1.00 0.00 N ATOM 0 H ASN A 23 -4.454 -16.142 -5.404 1.00 0.00 H new ATOM 0 HA ASN A 23 -2.108 -16.223 -7.176 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -2.659 -18.328 -6.220 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -4.339 -18.187 -6.699 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -1.490 -19.277 -9.512 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -1.019 -18.778 -7.885 1.00 0.00 H new ATOM 372 N ILE A 24 -3.265 -15.301 -9.187 1.00 0.00 N ATOM 373 CA ILE A 24 -3.832 -14.793 -10.419 1.00 0.00 C ATOM 374 C ILE A 24 -2.789 -15.196 -11.465 1.00 0.00 C ATOM 375 O ILE A 24 -1.739 -14.554 -11.511 1.00 0.00 O ATOM 376 CB ILE A 24 -4.070 -13.259 -10.370 1.00 0.00 C ATOM 377 CG1 ILE A 24 -4.715 -12.738 -9.066 1.00 0.00 C ATOM 378 CG2 ILE A 24 -4.887 -12.879 -11.607 1.00 0.00 C ATOM 379 CD1 ILE A 24 -4.955 -11.222 -9.009 1.00 0.00 C ATOM 0 H ILE A 24 -2.249 -15.219 -9.150 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.822 -15.195 -10.633 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.097 -12.768 -10.375 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.669 -13.245 -8.925 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.078 -13.019 -8.228 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.073 -11.805 -11.604 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.333 -13.149 -12.506 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -5.838 -13.412 -11.593 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.410 -10.961 -8.054 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.004 -10.699 -9.112 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.621 -10.928 -9.820 1.00 0.00 H new ATOM 391 N PRO A 25 -2.995 -16.278 -12.240 1.00 0.00 N ATOM 392 CA PRO A 25 -1.960 -16.794 -13.126 1.00 0.00 C ATOM 393 C PRO A 25 -1.614 -15.728 -14.169 1.00 0.00 C ATOM 394 O PRO A 25 -2.471 -14.922 -14.528 1.00 0.00 O ATOM 395 CB PRO A 25 -2.530 -18.088 -13.715 1.00 0.00 C ATOM 396 CG PRO A 25 -4.043 -17.890 -13.643 1.00 0.00 C ATOM 397 CD PRO A 25 -4.229 -17.034 -12.390 1.00 0.00 C ATOM 0 HA PRO A 25 -1.019 -17.020 -12.623 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -2.196 -18.241 -14.741 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.214 -18.960 -13.143 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -4.425 -17.389 -14.532 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -4.569 -18.841 -13.562 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -5.085 -16.368 -12.495 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -4.415 -17.657 -11.515 1.00 0.00 H new ATOM 405 N LEU A 26 -0.373 -15.715 -14.662 1.00 0.00 N ATOM 406 CA LEU A 26 0.182 -14.622 -15.471 1.00 0.00 C ATOM 407 C LEU A 26 -0.737 -14.167 -16.615 1.00 0.00 C ATOM 408 O LEU A 26 -0.971 -12.970 -16.786 1.00 0.00 O ATOM 409 CB LEU A 26 1.581 -15.042 -15.959 1.00 0.00 C ATOM 410 CG LEU A 26 2.418 -13.900 -16.576 1.00 0.00 C ATOM 411 CD1 LEU A 26 3.907 -14.229 -16.417 1.00 0.00 C ATOM 412 CD2 LEU A 26 2.138 -13.690 -18.071 1.00 0.00 C ATOM 0 H LEU A 26 0.288 -16.477 -14.508 1.00 0.00 H new ATOM 0 HA LEU A 26 0.265 -13.735 -14.843 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.132 -15.465 -15.119 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.470 -15.834 -16.699 1.00 0.00 H new ATOM 0 HG LEU A 26 2.142 -12.986 -16.050 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.505 -13.427 -16.850 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.147 -14.329 -15.358 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.130 -15.165 -16.929 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.756 -12.874 -18.446 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.373 -14.604 -18.617 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.086 -13.442 -18.213 1.00 0.00 H new ATOM 424 N LYS A 27 -1.301 -15.110 -17.373 1.00 0.00 N ATOM 425 CA LYS A 27 -2.210 -14.812 -18.482 1.00 0.00 C ATOM 426 C LYS A 27 -3.454 -14.041 -18.032 1.00 0.00 C ATOM 427 O LYS A 27 -3.967 -13.226 -18.799 1.00 0.00 O ATOM 428 CB LYS A 27 -2.575 -16.101 -19.242 1.00 0.00 C ATOM 429 CG LYS A 27 -3.358 -17.135 -18.411 1.00 0.00 C ATOM 430 CD LYS A 27 -3.640 -18.400 -19.233 1.00 0.00 C ATOM 431 CE LYS A 27 -4.433 -19.413 -18.395 1.00 0.00 C ATOM 432 NZ LYS A 27 -4.744 -20.649 -19.156 1.00 0.00 N ATOM 0 H LYS A 27 -1.139 -16.107 -17.234 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.682 -14.151 -19.169 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.166 -15.835 -20.118 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.658 -16.565 -19.605 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.789 -17.396 -17.519 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.298 -16.699 -18.073 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.202 -18.141 -20.131 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.701 -18.845 -19.562 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.861 -19.671 -17.504 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.362 -18.954 -18.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.280 -21.304 -18.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.312 -20.408 -19.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.858 -21.103 -19.458 1.00 0.00 H new ATOM 446 N GLU A 28 -3.937 -14.275 -16.809 1.00 0.00 N ATOM 447 CA GLU A 28 -5.016 -13.502 -16.215 1.00 0.00 C ATOM 448 C GLU A 28 -4.473 -12.195 -15.657 1.00 0.00 C ATOM 449 O GLU A 28 -5.081 -11.153 -15.884 1.00 0.00 O ATOM 450 CB GLU A 28 -5.704 -14.292 -15.082 1.00 0.00 C ATOM 451 CG GLU A 28 -7.126 -14.712 -15.467 1.00 0.00 C ATOM 452 CD GLU A 28 -7.826 -15.462 -14.321 1.00 0.00 C ATOM 453 OE1 GLU A 28 -8.056 -14.853 -13.251 1.00 0.00 O ATOM 454 OE2 GLU A 28 -8.175 -16.652 -14.494 1.00 0.00 O ATOM 0 H GLU A 28 -3.583 -15.015 -16.203 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.750 -13.295 -16.994 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.114 -15.178 -14.846 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.737 -13.681 -14.180 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.707 -13.829 -15.733 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.091 -15.349 -16.351 1.00 0.00 H new ATOM 461 N VAL A 29 -3.347 -12.232 -14.938 1.00 0.00 N ATOM 462 CA VAL A 29 -2.864 -11.102 -14.145 1.00 0.00 C ATOM 463 C VAL A 29 -2.707 -9.853 -14.992 1.00 0.00 C ATOM 464 O VAL A 29 -3.076 -8.771 -14.549 1.00 0.00 O ATOM 465 CB VAL A 29 -1.580 -11.465 -13.361 1.00 0.00 C ATOM 466 CG1 VAL A 29 -0.235 -11.106 -14.019 1.00 0.00 C ATOM 467 CG2 VAL A 29 -1.592 -10.777 -11.991 1.00 0.00 C ATOM 0 H VAL A 29 -2.743 -13.052 -14.891 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.623 -10.870 -13.398 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.623 -12.553 -13.313 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.583 -11.413 -13.367 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.149 -11.621 -14.976 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.185 -10.029 -14.181 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.685 -11.037 -11.445 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.636 -9.696 -12.127 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.463 -11.107 -11.426 1.00 0.00 H new ATOM 477 N LYS A 30 -2.225 -9.999 -16.225 1.00 0.00 N ATOM 478 CA LYS A 30 -1.985 -8.858 -17.097 1.00 0.00 C ATOM 479 C LYS A 30 -3.259 -8.051 -17.367 1.00 0.00 C ATOM 480 O LYS A 30 -3.165 -6.853 -17.618 1.00 0.00 O ATOM 481 CB LYS A 30 -1.303 -9.354 -18.381 1.00 0.00 C ATOM 482 CG LYS A 30 -0.720 -8.171 -19.171 1.00 0.00 C ATOM 483 CD LYS A 30 0.076 -8.610 -20.409 1.00 0.00 C ATOM 484 CE LYS A 30 -0.747 -9.360 -21.472 1.00 0.00 C ATOM 485 NZ LYS A 30 -1.762 -8.502 -22.137 1.00 0.00 N ATOM 0 H LYS A 30 -1.993 -10.901 -16.641 1.00 0.00 H new ATOM 0 HA LYS A 30 -1.317 -8.157 -16.597 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.510 -10.058 -18.130 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -2.023 -9.892 -18.998 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -1.532 -7.514 -19.482 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -0.071 -7.589 -18.517 1.00 0.00 H new ATOM 0 HD2 LYS A 30 0.521 -7.728 -20.870 1.00 0.00 H new ATOM 0 HD3 LYS A 30 0.898 -9.250 -20.087 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -0.072 -9.765 -22.226 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -1.247 -10.208 -21.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -2.283 -9.063 -22.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -2.426 -8.135 -21.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -1.288 -7.706 -22.610 1.00 0.00 H new ATOM 499 N GLU A 31 -4.441 -8.662 -17.277 1.00 0.00 N ATOM 500 CA GLU A 31 -5.701 -7.943 -17.352 1.00 0.00 C ATOM 501 C GLU A 31 -6.245 -7.711 -15.938 1.00 0.00 C ATOM 502 O GLU A 31 -6.559 -6.585 -15.556 1.00 0.00 O ATOM 503 CB GLU A 31 -6.666 -8.759 -18.227 1.00 0.00 C ATOM 504 CG GLU A 31 -8.020 -8.060 -18.388 1.00 0.00 C ATOM 505 CD GLU A 31 -8.935 -8.813 -19.370 1.00 0.00 C ATOM 506 OE1 GLU A 31 -9.702 -9.704 -18.938 1.00 0.00 O ATOM 507 OE2 GLU A 31 -8.916 -8.509 -20.585 1.00 0.00 O ATOM 0 H GLU A 31 -4.545 -9.669 -17.150 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.571 -6.961 -17.807 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.220 -8.918 -19.209 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -6.816 -9.743 -17.782 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -8.510 -7.987 -17.417 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.864 -7.042 -18.744 1.00 0.00 H new ATOM 514 N ARG A 32 -6.327 -8.774 -15.138 1.00 0.00 N ATOM 515 CA ARG A 32 -7.021 -8.797 -13.853 1.00 0.00 C ATOM 516 C ARG A 32 -6.362 -7.914 -12.798 1.00 0.00 C ATOM 517 O ARG A 32 -7.062 -7.439 -11.901 1.00 0.00 O ATOM 518 CB ARG A 32 -7.173 -10.261 -13.404 1.00 0.00 C ATOM 519 CG ARG A 32 -7.933 -10.403 -12.077 1.00 0.00 C ATOM 520 CD ARG A 32 -8.405 -11.848 -11.868 1.00 0.00 C ATOM 521 NE ARG A 32 -8.656 -12.134 -10.444 1.00 0.00 N ATOM 522 CZ ARG A 32 -8.528 -13.326 -9.843 1.00 0.00 C ATOM 523 NH1 ARG A 32 -8.238 -14.426 -10.534 1.00 0.00 N ATOM 524 NH2 ARG A 32 -8.690 -13.412 -8.526 1.00 0.00 N ATOM 0 H ARG A 32 -5.899 -9.669 -15.374 1.00 0.00 H new ATOM 0 HA ARG A 32 -8.011 -8.360 -13.980 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -7.697 -10.821 -14.179 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.185 -10.709 -13.301 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.289 -10.104 -11.250 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.791 -9.731 -12.071 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.316 -12.021 -12.441 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -7.652 -12.537 -12.251 1.00 0.00 H new ATOM 0 HE ARG A 32 -8.955 -11.352 -9.861 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.108 -14.374 -11.544 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -8.146 -15.321 -10.053 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -8.909 -12.577 -7.984 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -8.595 -14.313 -8.058 1.00 0.00 H new ATOM 538 N ILE A 33 -5.062 -7.631 -12.896 1.00 0.00 N ATOM 539 CA ILE A 33 -4.404 -6.707 -11.973 1.00 0.00 C ATOM 540 C ILE A 33 -5.107 -5.346 -12.013 1.00 0.00 C ATOM 541 O ILE A 33 -5.248 -4.711 -10.974 1.00 0.00 O ATOM 542 CB ILE A 33 -2.886 -6.595 -12.254 1.00 0.00 C ATOM 543 CG1 ILE A 33 -2.124 -5.968 -11.062 1.00 0.00 C ATOM 544 CG2 ILE A 33 -2.601 -5.822 -13.555 1.00 0.00 C ATOM 545 CD1 ILE A 33 -1.926 -6.955 -9.906 1.00 0.00 C ATOM 0 H ILE A 33 -4.445 -8.028 -13.605 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.491 -7.103 -10.961 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.517 -7.612 -12.384 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.151 -5.613 -11.403 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.672 -5.097 -10.702 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.524 -5.765 -13.716 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.067 -6.338 -14.394 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.010 -4.814 -13.477 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.386 -6.464 -9.096 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -2.898 -7.290 -9.543 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.353 -7.814 -10.255 1.00 0.00 H new ATOM 557 N ALA A 34 -5.640 -4.937 -13.171 1.00 0.00 N ATOM 558 CA ALA A 34 -6.358 -3.676 -13.313 1.00 0.00 C ATOM 559 C ALA A 34 -7.671 -3.618 -12.515 1.00 0.00 C ATOM 560 O ALA A 34 -8.282 -2.552 -12.445 1.00 0.00 O ATOM 561 CB ALA A 34 -6.621 -3.406 -14.798 1.00 0.00 C ATOM 0 H ALA A 34 -5.582 -5.477 -14.035 1.00 0.00 H new ATOM 0 HA ALA A 34 -5.721 -2.898 -12.891 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -7.158 -2.464 -14.907 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -5.672 -3.347 -15.331 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -7.221 -4.215 -15.214 1.00 0.00 H new ATOM 567 N THR A 35 -8.106 -4.729 -11.914 1.00 0.00 N ATOM 568 CA THR A 35 -9.286 -4.805 -11.056 1.00 0.00 C ATOM 569 C THR A 35 -8.877 -5.198 -9.626 1.00 0.00 C ATOM 570 O THR A 35 -9.522 -4.773 -8.667 1.00 0.00 O ATOM 571 CB THR A 35 -10.294 -5.792 -11.684 1.00 0.00 C ATOM 572 OG1 THR A 35 -10.493 -5.502 -13.059 1.00 0.00 O ATOM 573 CG2 THR A 35 -11.669 -5.752 -11.009 1.00 0.00 C ATOM 0 H THR A 35 -7.631 -5.626 -12.016 1.00 0.00 H new ATOM 0 HA THR A 35 -9.772 -3.832 -10.982 1.00 0.00 H new ATOM 0 HB THR A 35 -9.856 -6.781 -11.546 1.00 0.00 H new ATOM 0 HG1 THR A 35 -11.133 -6.139 -13.438 1.00 0.00 H new ATOM 0 HG21 THR A 35 -12.333 -6.467 -11.494 1.00 0.00 H new ATOM 0 HG22 THR A 35 -11.565 -6.011 -9.955 1.00 0.00 H new ATOM 0 HG23 THR A 35 -12.088 -4.750 -11.097 1.00 0.00 H new ATOM 581 N ALA A 36 -7.783 -5.953 -9.463 1.00 0.00 N ATOM 582 CA ALA A 36 -7.257 -6.327 -8.151 1.00 0.00 C ATOM 583 C ALA A 36 -6.503 -5.164 -7.490 1.00 0.00 C ATOM 584 O ALA A 36 -6.545 -5.012 -6.270 1.00 0.00 O ATOM 585 CB ALA A 36 -6.334 -7.544 -8.300 1.00 0.00 C ATOM 0 H ALA A 36 -7.238 -6.321 -10.243 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.097 -6.579 -7.504 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.941 -7.824 -7.323 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.897 -8.379 -8.718 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.508 -7.295 -8.966 1.00 0.00 H new ATOM 591 N VAL A 37 -5.823 -4.348 -8.298 1.00 0.00 N ATOM 592 CA VAL A 37 -4.941 -3.255 -7.899 1.00 0.00 C ATOM 593 C VAL A 37 -5.144 -2.102 -8.908 1.00 0.00 C ATOM 594 O VAL A 37 -4.235 -1.773 -9.674 1.00 0.00 O ATOM 595 CB VAL A 37 -3.470 -3.743 -7.822 1.00 0.00 C ATOM 596 CG1 VAL A 37 -2.595 -2.698 -7.111 1.00 0.00 C ATOM 597 CG2 VAL A 37 -3.290 -5.095 -7.111 1.00 0.00 C ATOM 0 H VAL A 37 -5.879 -4.441 -9.312 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.183 -2.893 -6.900 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.160 -3.879 -8.858 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.566 -3.055 -7.065 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.629 -1.759 -7.663 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.969 -2.538 -6.100 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.233 -5.363 -7.101 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.655 -5.019 -6.087 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.854 -5.863 -7.641 1.00 0.00 H new ATOM 607 N PRO A 38 -6.344 -1.495 -8.976 1.00 0.00 N ATOM 608 CA PRO A 38 -6.656 -0.475 -9.975 1.00 0.00 C ATOM 609 C PRO A 38 -5.844 0.816 -9.784 1.00 0.00 C ATOM 610 O PRO A 38 -5.657 1.568 -10.741 1.00 0.00 O ATOM 611 CB PRO A 38 -8.161 -0.212 -9.828 1.00 0.00 C ATOM 612 CG PRO A 38 -8.461 -0.591 -8.379 1.00 0.00 C ATOM 613 CD PRO A 38 -7.495 -1.744 -8.122 1.00 0.00 C ATOM 0 HA PRO A 38 -6.392 -0.821 -10.974 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -8.405 0.832 -10.027 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -8.742 -0.814 -10.527 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -8.286 0.242 -7.699 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -9.499 -0.897 -8.248 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -7.202 -1.782 -7.073 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -7.958 -2.702 -8.359 1.00 0.00 H new ATOM 621 N ASP A 39 -5.374 1.092 -8.561 1.00 0.00 N ATOM 622 CA ASP A 39 -4.726 2.360 -8.209 1.00 0.00 C ATOM 623 C ASP A 39 -3.254 2.428 -8.647 1.00 0.00 C ATOM 624 O ASP A 39 -2.656 3.502 -8.618 1.00 0.00 O ATOM 625 CB ASP A 39 -4.849 2.582 -6.696 1.00 0.00 C ATOM 626 CG ASP A 39 -4.393 3.991 -6.276 1.00 0.00 C ATOM 627 OD1 ASP A 39 -5.012 4.988 -6.712 1.00 0.00 O ATOM 628 OD2 ASP A 39 -3.459 4.103 -5.453 1.00 0.00 O ATOM 0 H ASP A 39 -5.434 0.436 -7.782 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.238 3.154 -8.752 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.885 2.431 -6.391 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.251 1.837 -6.171 1.00 0.00 H new ATOM 633 N LYS A 40 -2.663 1.296 -9.060 1.00 0.00 N ATOM 634 CA LYS A 40 -1.278 1.121 -9.538 1.00 0.00 C ATOM 635 C LYS A 40 -0.145 1.496 -8.567 1.00 0.00 C ATOM 636 O LYS A 40 0.992 1.085 -8.810 1.00 0.00 O ATOM 637 CB LYS A 40 -1.078 1.792 -10.912 1.00 0.00 C ATOM 638 CG LYS A 40 -2.002 1.213 -11.995 1.00 0.00 C ATOM 639 CD LYS A 40 -1.519 1.577 -13.405 1.00 0.00 C ATOM 640 CE LYS A 40 -2.457 0.961 -14.451 1.00 0.00 C ATOM 641 NZ LYS A 40 -2.021 1.255 -15.838 1.00 0.00 N ATOM 0 H LYS A 40 -3.175 0.414 -9.070 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.180 0.039 -9.625 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.260 2.863 -10.819 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -0.040 1.671 -11.223 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.047 0.129 -11.894 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -3.015 1.589 -11.849 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -1.491 2.660 -13.521 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.502 1.214 -13.556 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -2.500 -0.119 -14.307 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -3.467 1.343 -14.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -2.720 0.878 -16.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -1.939 2.284 -15.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -1.098 0.810 -16.013 1.00 0.00 H new ATOM 655 N ASN A 41 -0.419 2.234 -7.489 1.00 0.00 N ATOM 656 CA ASN A 41 0.600 2.721 -6.561 1.00 0.00 C ATOM 657 C ASN A 41 1.095 1.643 -5.595 1.00 0.00 C ATOM 658 O ASN A 41 2.226 1.723 -5.120 1.00 0.00 O ATOM 659 CB ASN A 41 0.040 3.898 -5.753 1.00 0.00 C ATOM 660 CG ASN A 41 1.102 4.504 -4.839 1.00 0.00 C ATOM 661 OD1 ASN A 41 2.080 5.082 -5.305 1.00 0.00 O ATOM 662 ND2 ASN A 41 0.931 4.409 -3.529 1.00 0.00 N ATOM 0 H ASN A 41 -1.367 2.513 -7.234 1.00 0.00 H new ATOM 0 HA ASN A 41 1.452 3.033 -7.165 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -0.335 4.662 -6.434 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -0.807 3.560 -5.155 1.00 0.00 H new ATOM 0 HD21 ASN A 41 1.616 4.819 -2.894 1.00 0.00 H new ATOM 0 HD22 ASN A 41 0.114 3.926 -3.155 1.00 0.00 H new ATOM 669 N ASP A 42 0.255 0.659 -5.258 1.00 0.00 N ATOM 670 CA ASP A 42 0.626 -0.402 -4.319 1.00 0.00 C ATOM 671 C ASP A 42 1.719 -1.272 -4.939 1.00 0.00 C ATOM 672 O ASP A 42 1.625 -1.642 -6.109 1.00 0.00 O ATOM 673 CB ASP A 42 -0.584 -1.267 -3.940 1.00 0.00 C ATOM 674 CG ASP A 42 -1.408 -0.630 -2.813 1.00 0.00 C ATOM 675 OD1 ASP A 42 -0.992 -0.742 -1.639 1.00 0.00 O ATOM 676 OD2 ASP A 42 -2.446 0.010 -3.098 1.00 0.00 O ATOM 0 H ASP A 42 -0.693 0.576 -5.625 1.00 0.00 H new ATOM 0 HA ASP A 42 0.998 0.064 -3.407 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.216 -1.411 -4.816 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.242 -2.254 -3.628 1.00 0.00 H new ATOM 681 N THR A 43 2.737 -1.613 -4.147 1.00 0.00 N ATOM 682 CA THR A 43 3.853 -2.460 -4.545 1.00 0.00 C ATOM 683 C THR A 43 3.340 -3.868 -4.845 1.00 0.00 C ATOM 684 O THR A 43 3.089 -4.633 -3.914 1.00 0.00 O ATOM 685 CB THR A 43 4.914 -2.462 -3.424 1.00 0.00 C ATOM 686 OG1 THR A 43 5.270 -1.144 -3.055 1.00 0.00 O ATOM 687 CG2 THR A 43 6.174 -3.232 -3.810 1.00 0.00 C ATOM 0 H THR A 43 2.806 -1.295 -3.180 1.00 0.00 H new ATOM 0 HA THR A 43 4.321 -2.075 -5.451 1.00 0.00 H new ATOM 0 HB THR A 43 4.454 -2.968 -2.576 1.00 0.00 H new ATOM 0 HG1 THR A 43 4.638 -0.810 -2.385 1.00 0.00 H new ATOM 0 HG21 THR A 43 6.886 -3.201 -2.985 1.00 0.00 H new ATOM 0 HG22 THR A 43 5.915 -4.268 -4.027 1.00 0.00 H new ATOM 0 HG23 THR A 43 6.622 -2.777 -4.694 1.00 0.00 H new ATOM 695 N VAL A 44 3.175 -4.230 -6.118 1.00 0.00 N ATOM 696 CA VAL A 44 2.808 -5.593 -6.480 1.00 0.00 C ATOM 697 C VAL A 44 4.073 -6.447 -6.394 1.00 0.00 C ATOM 698 O VAL A 44 5.006 -6.251 -7.174 1.00 0.00 O ATOM 699 CB VAL A 44 2.158 -5.648 -7.879 1.00 0.00 C ATOM 700 CG1 VAL A 44 1.615 -7.062 -8.126 1.00 0.00 C ATOM 701 CG2 VAL A 44 0.993 -4.654 -8.018 1.00 0.00 C ATOM 0 H VAL A 44 3.290 -3.598 -6.911 1.00 0.00 H new ATOM 0 HA VAL A 44 2.057 -5.982 -5.793 1.00 0.00 H new ATOM 0 HB VAL A 44 2.925 -5.382 -8.607 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.154 -7.108 -9.113 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.433 -7.780 -8.074 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.871 -7.304 -7.367 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.568 -4.729 -9.019 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.226 -4.887 -7.279 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.358 -3.640 -7.854 1.00 0.00 H new ATOM 711 N LYS A 45 4.121 -7.385 -5.447 1.00 0.00 N ATOM 712 CA LYS A 45 5.230 -8.318 -5.290 1.00 0.00 C ATOM 713 C LYS A 45 4.862 -9.594 -6.027 1.00 0.00 C ATOM 714 O LYS A 45 4.036 -10.371 -5.541 1.00 0.00 O ATOM 715 CB LYS A 45 5.542 -8.549 -3.802 1.00 0.00 C ATOM 716 CG LYS A 45 5.859 -7.205 -3.130 1.00 0.00 C ATOM 717 CD LYS A 45 6.584 -7.348 -1.787 1.00 0.00 C ATOM 718 CE LYS A 45 7.243 -6.006 -1.435 1.00 0.00 C ATOM 719 NZ LYS A 45 7.880 -6.015 -0.099 1.00 0.00 N ATOM 0 H LYS A 45 3.379 -7.517 -4.760 1.00 0.00 H new ATOM 0 HA LYS A 45 6.148 -7.916 -5.720 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.692 -9.022 -3.310 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.388 -9.228 -3.698 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.473 -6.607 -3.803 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.929 -6.657 -2.975 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.880 -7.639 -1.007 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.337 -8.134 -1.846 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.993 -5.765 -2.189 1.00 0.00 H new ATOM 0 HE3 LYS A 45 6.492 -5.217 -1.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.649 -5.315 -0.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.172 -5.776 0.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.267 -6.961 0.095 1.00 0.00 H new ATOM 733 N VAL A 46 5.404 -9.783 -7.226 1.00 0.00 N ATOM 734 CA VAL A 46 5.108 -10.968 -8.019 1.00 0.00 C ATOM 735 C VAL A 46 5.992 -12.127 -7.549 1.00 0.00 C ATOM 736 O VAL A 46 7.176 -11.932 -7.252 1.00 0.00 O ATOM 737 CB VAL A 46 5.236 -10.677 -9.528 1.00 0.00 C ATOM 738 CG1 VAL A 46 4.109 -9.739 -9.988 1.00 0.00 C ATOM 739 CG2 VAL A 46 6.579 -10.058 -9.937 1.00 0.00 C ATOM 0 H VAL A 46 6.050 -9.130 -7.669 1.00 0.00 H new ATOM 0 HA VAL A 46 4.070 -11.263 -7.866 1.00 0.00 H new ATOM 0 HB VAL A 46 5.166 -11.650 -10.015 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.212 -9.542 -11.055 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.144 -10.209 -9.797 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.170 -8.800 -9.438 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.587 -9.885 -11.013 1.00 0.00 H new ATOM 0 HG22 VAL A 46 6.717 -9.111 -9.416 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.389 -10.738 -9.673 1.00 0.00 H new ATOM 749 N TYR A 47 5.438 -13.341 -7.517 1.00 0.00 N ATOM 750 CA TYR A 47 6.183 -14.578 -7.294 1.00 0.00 C ATOM 751 C TYR A 47 5.530 -15.716 -8.086 1.00 0.00 C ATOM 752 O TYR A 47 4.417 -15.556 -8.591 1.00 0.00 O ATOM 753 CB TYR A 47 6.300 -14.881 -5.792 1.00 0.00 C ATOM 754 CG TYR A 47 5.056 -15.392 -5.090 1.00 0.00 C ATOM 755 CD1 TYR A 47 4.819 -16.777 -4.992 1.00 0.00 C ATOM 756 CD2 TYR A 47 4.181 -14.485 -4.462 1.00 0.00 C ATOM 757 CE1 TYR A 47 3.730 -17.254 -4.245 1.00 0.00 C ATOM 758 CE2 TYR A 47 3.103 -14.959 -3.694 1.00 0.00 C ATOM 759 CZ TYR A 47 2.886 -16.350 -3.567 1.00 0.00 C ATOM 760 OH TYR A 47 1.841 -16.830 -2.834 1.00 0.00 O ATOM 0 H TYR A 47 4.438 -13.493 -7.648 1.00 0.00 H new ATOM 0 HA TYR A 47 7.204 -14.467 -7.660 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.091 -15.618 -5.657 1.00 0.00 H new ATOM 0 HB3 TYR A 47 6.623 -13.970 -5.288 1.00 0.00 H new ATOM 0 HD1 TYR A 47 5.476 -17.473 -5.492 1.00 0.00 H new ATOM 0 HD2 TYR A 47 4.338 -13.422 -4.571 1.00 0.00 H new ATOM 0 HE1 TYR A 47 3.538 -18.315 -4.189 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.442 -14.261 -3.202 1.00 0.00 H new ATOM 0 HH TYR A 47 1.220 -17.306 -3.423 1.00 0.00 H new ATOM 770 N CYS A 48 6.231 -16.839 -8.257 1.00 0.00 N ATOM 771 CA CYS A 48 5.775 -17.996 -9.013 1.00 0.00 C ATOM 772 C CYS A 48 6.353 -19.271 -8.382 1.00 0.00 C ATOM 773 O CYS A 48 6.522 -19.323 -7.164 1.00 0.00 O ATOM 774 CB CYS A 48 6.109 -17.802 -10.504 1.00 0.00 C ATOM 775 SG CYS A 48 7.901 -17.774 -10.808 1.00 0.00 S ATOM 0 H CYS A 48 7.161 -16.967 -7.858 1.00 0.00 H new ATOM 0 HA CYS A 48 4.691 -18.104 -8.968 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.656 -18.606 -11.084 1.00 0.00 H new ATOM 0 HB3 CYS A 48 5.668 -16.869 -10.855 1.00 0.00 H new ATOM 0 HG CYS A 48 8.381 -16.615 -10.466 1.00 0.00 H new ATOM 781 N ASN A 49 6.652 -20.307 -9.176 1.00 0.00 N ATOM 782 CA ASN A 49 7.286 -21.528 -8.669 1.00 0.00 C ATOM 783 C ASN A 49 8.700 -21.247 -8.150 1.00 0.00 C ATOM 784 O ASN A 49 9.030 -21.662 -7.039 1.00 0.00 O ATOM 785 CB ASN A 49 7.320 -22.605 -9.765 1.00 0.00 C ATOM 786 CG ASN A 49 7.897 -23.915 -9.236 1.00 0.00 C ATOM 787 OD1 ASN A 49 9.109 -24.107 -9.187 1.00 0.00 O ATOM 788 ND2 ASN A 49 7.050 -24.846 -8.832 1.00 0.00 N ATOM 0 H ASN A 49 6.463 -20.322 -10.178 1.00 0.00 H new ATOM 0 HA ASN A 49 6.691 -21.894 -7.833 1.00 0.00 H new ATOM 0 HB2 ASN A 49 6.312 -22.775 -10.142 1.00 0.00 H new ATOM 0 HB3 ASN A 49 7.919 -22.254 -10.605 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.401 -25.735 -8.475 1.00 0.00 H new ATOM 0 HD22 ASN A 49 6.045 -24.676 -8.877 1.00 0.00 H new ATOM 795 N ALA A 50 9.515 -20.512 -8.923 1.00 0.00 N ATOM 796 CA ALA A 50 10.932 -20.300 -8.612 1.00 0.00 C ATOM 797 C ALA A 50 11.469 -18.929 -9.051 1.00 0.00 C ATOM 798 O ALA A 50 12.298 -18.365 -8.336 1.00 0.00 O ATOM 799 CB ALA A 50 11.759 -21.413 -9.269 1.00 0.00 C ATOM 0 H ALA A 50 9.208 -20.050 -9.779 1.00 0.00 H new ATOM 0 HA ALA A 50 11.023 -20.326 -7.526 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.815 -21.263 -9.043 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.439 -22.381 -8.883 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.612 -21.387 -10.349 1.00 0.00 H new ATOM 805 N GLY A 51 11.016 -18.375 -10.183 1.00 0.00 N ATOM 806 CA GLY A 51 11.414 -17.029 -10.605 1.00 0.00 C ATOM 807 C GLY A 51 11.146 -16.707 -12.075 1.00 0.00 C ATOM 808 O GLY A 51 10.934 -15.541 -12.405 1.00 0.00 O ATOM 0 H GLY A 51 10.372 -18.840 -10.823 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.888 -16.301 -9.987 1.00 0.00 H new ATOM 0 HA3 GLY A 51 12.479 -16.903 -10.409 1.00 0.00 H new ATOM 812 N ARG A 52 11.138 -17.702 -12.975 1.00 0.00 N ATOM 813 CA ARG A 52 11.017 -17.438 -14.418 1.00 0.00 C ATOM 814 C ARG A 52 9.752 -16.645 -14.766 1.00 0.00 C ATOM 815 O ARG A 52 9.818 -15.673 -15.521 1.00 0.00 O ATOM 816 CB ARG A 52 11.134 -18.738 -15.247 1.00 0.00 C ATOM 817 CG ARG A 52 10.139 -19.856 -14.877 1.00 0.00 C ATOM 818 CD ARG A 52 10.087 -20.970 -15.934 1.00 0.00 C ATOM 819 NE ARG A 52 9.008 -21.933 -15.638 1.00 0.00 N ATOM 820 CZ ARG A 52 7.693 -21.733 -15.817 1.00 0.00 C ATOM 821 NH1 ARG A 52 7.243 -20.631 -16.414 1.00 0.00 N ATOM 822 NH2 ARG A 52 6.820 -22.636 -15.382 1.00 0.00 N ATOM 0 H ARG A 52 11.213 -18.690 -12.732 1.00 0.00 H new ATOM 0 HA ARG A 52 11.860 -16.803 -14.692 1.00 0.00 H new ATOM 0 HB2 ARG A 52 10.999 -18.490 -16.300 1.00 0.00 H new ATOM 0 HB3 ARG A 52 12.146 -19.127 -15.139 1.00 0.00 H new ATOM 0 HG2 ARG A 52 10.420 -20.285 -13.915 1.00 0.00 H new ATOM 0 HG3 ARG A 52 9.144 -19.427 -14.756 1.00 0.00 H new ATOM 0 HD2 ARG A 52 9.928 -20.533 -16.920 1.00 0.00 H new ATOM 0 HD3 ARG A 52 11.044 -21.490 -15.966 1.00 0.00 H new ATOM 0 HE ARG A 52 9.289 -22.838 -15.261 1.00 0.00 H new ATOM 0 HH11 ARG A 52 7.901 -19.924 -16.743 1.00 0.00 H new ATOM 0 HH12 ARG A 52 6.240 -20.494 -16.543 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.150 -23.480 -14.913 1.00 0.00 H new ATOM 0 HH22 ARG A 52 5.820 -22.485 -15.517 1.00 0.00 H new ATOM 836 N GLN A 53 8.603 -17.042 -14.212 1.00 0.00 N ATOM 837 CA GLN A 53 7.311 -16.497 -14.613 1.00 0.00 C ATOM 838 C GLN A 53 7.079 -15.162 -13.907 1.00 0.00 C ATOM 839 O GLN A 53 6.566 -14.226 -14.515 1.00 0.00 O ATOM 840 CB GLN A 53 6.217 -17.546 -14.322 1.00 0.00 C ATOM 841 CG GLN A 53 4.936 -17.376 -15.151 1.00 0.00 C ATOM 842 CD GLN A 53 4.169 -18.694 -15.301 1.00 0.00 C ATOM 843 OE1 GLN A 53 4.640 -19.624 -15.953 1.00 0.00 O ATOM 844 NE2 GLN A 53 2.987 -18.826 -14.719 1.00 0.00 N ATOM 0 H GLN A 53 8.546 -17.747 -13.477 1.00 0.00 H new ATOM 0 HA GLN A 53 7.282 -16.289 -15.683 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.625 -18.539 -14.507 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.959 -17.500 -13.264 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.293 -16.635 -14.677 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.192 -16.991 -16.138 1.00 0.00 H new ATOM 0 HE21 GLN A 53 2.596 -18.055 -14.178 1.00 0.00 H new ATOM 0 HE22 GLN A 53 2.468 -19.699 -14.812 1.00 0.00 H new ATOM 853 N SER A 54 7.510 -15.027 -12.650 1.00 0.00 N ATOM 854 CA SER A 54 7.407 -13.770 -11.927 1.00 0.00 C ATOM 855 C SER A 54 8.365 -12.726 -12.502 1.00 0.00 C ATOM 856 O SER A 54 8.055 -11.539 -12.452 1.00 0.00 O ATOM 857 CB SER A 54 7.645 -14.031 -10.442 1.00 0.00 C ATOM 858 OG SER A 54 8.901 -14.654 -10.251 1.00 0.00 O ATOM 0 H SER A 54 7.936 -15.783 -12.114 1.00 0.00 H new ATOM 0 HA SER A 54 6.406 -13.356 -12.044 1.00 0.00 H new ATOM 0 HB2 SER A 54 7.609 -13.092 -9.890 1.00 0.00 H new ATOM 0 HB3 SER A 54 6.852 -14.665 -10.045 1.00 0.00 H new ATOM 0 HG SER A 54 9.002 -14.904 -9.309 1.00 0.00 H new ATOM 864 N GLY A 55 9.512 -13.131 -13.055 1.00 0.00 N ATOM 865 CA GLY A 55 10.429 -12.224 -13.731 1.00 0.00 C ATOM 866 C GLY A 55 9.726 -11.569 -14.915 1.00 0.00 C ATOM 867 O GLY A 55 9.670 -10.342 -15.001 1.00 0.00 O ATOM 0 H GLY A 55 9.827 -14.101 -13.044 1.00 0.00 H new ATOM 0 HA2 GLY A 55 10.779 -11.461 -13.036 1.00 0.00 H new ATOM 0 HA3 GLY A 55 11.308 -12.770 -14.074 1.00 0.00 H new ATOM 871 N GLN A 56 9.098 -12.381 -15.771 1.00 0.00 N ATOM 872 CA GLN A 56 8.293 -11.879 -16.878 1.00 0.00 C ATOM 873 C GLN A 56 7.144 -11.015 -16.359 1.00 0.00 C ATOM 874 O GLN A 56 6.918 -9.934 -16.900 1.00 0.00 O ATOM 875 CB GLN A 56 7.788 -13.051 -17.732 1.00 0.00 C ATOM 876 CG GLN A 56 8.895 -13.622 -18.635 1.00 0.00 C ATOM 877 CD GLN A 56 8.996 -12.877 -19.971 1.00 0.00 C ATOM 878 OE1 GLN A 56 8.419 -13.302 -20.970 1.00 0.00 O ATOM 879 NE2 GLN A 56 9.704 -11.761 -20.048 1.00 0.00 N ATOM 0 H GLN A 56 9.136 -13.399 -15.713 1.00 0.00 H new ATOM 0 HA GLN A 56 8.911 -11.245 -17.513 1.00 0.00 H new ATOM 0 HB2 GLN A 56 7.409 -13.838 -17.080 1.00 0.00 H new ATOM 0 HB3 GLN A 56 6.953 -12.718 -18.348 1.00 0.00 H new ATOM 0 HG2 GLN A 56 9.851 -13.563 -18.115 1.00 0.00 H new ATOM 0 HG3 GLN A 56 8.699 -14.677 -18.824 1.00 0.00 H new ATOM 0 HE21 GLN A 56 10.185 -11.404 -19.222 1.00 0.00 H new ATOM 0 HE22 GLN A 56 9.769 -11.258 -20.933 1.00 0.00 H new ATOM 888 N ALA A 57 6.453 -11.428 -15.291 1.00 0.00 N ATOM 889 CA ALA A 57 5.385 -10.622 -14.717 1.00 0.00 C ATOM 890 C ALA A 57 5.894 -9.264 -14.221 1.00 0.00 C ATOM 891 O ALA A 57 5.196 -8.272 -14.408 1.00 0.00 O ATOM 892 CB ALA A 57 4.670 -11.378 -13.600 1.00 0.00 C ATOM 0 H ALA A 57 6.618 -12.313 -14.812 1.00 0.00 H new ATOM 0 HA ALA A 57 4.666 -10.426 -15.513 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.877 -10.754 -13.188 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.239 -12.296 -14.000 1.00 0.00 H new ATOM 0 HB3 ALA A 57 5.383 -11.625 -12.813 1.00 0.00 H new ATOM 898 N LYS A 58 7.094 -9.177 -13.632 1.00 0.00 N ATOM 899 CA LYS A 58 7.643 -7.892 -13.197 1.00 0.00 C ATOM 900 C LYS A 58 7.811 -6.970 -14.406 1.00 0.00 C ATOM 901 O LYS A 58 7.458 -5.792 -14.331 1.00 0.00 O ATOM 902 CB LYS A 58 8.956 -8.054 -12.407 1.00 0.00 C ATOM 903 CG LYS A 58 9.611 -6.683 -12.138 1.00 0.00 C ATOM 904 CD LYS A 58 10.683 -6.718 -11.043 1.00 0.00 C ATOM 905 CE LYS A 58 11.424 -5.371 -11.018 1.00 0.00 C ATOM 906 NZ LYS A 58 12.579 -5.368 -10.084 1.00 0.00 N ATOM 0 H LYS A 58 7.698 -9.978 -13.448 1.00 0.00 H new ATOM 0 HA LYS A 58 6.936 -7.434 -12.505 1.00 0.00 H new ATOM 0 HB2 LYS A 58 8.756 -8.558 -11.461 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.645 -8.687 -12.966 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.059 -6.317 -13.062 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.837 -5.970 -11.854 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.224 -6.912 -10.074 1.00 0.00 H new ATOM 0 HD3 LYS A 58 11.386 -7.530 -11.231 1.00 0.00 H new ATOM 0 HE2 LYS A 58 11.774 -5.135 -12.023 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.728 -4.583 -10.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 13.042 -4.437 -10.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 12.246 -5.565 -9.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 13.260 -6.100 -10.371 1.00 0.00 H new ATOM 920 N GLU A 59 8.336 -7.495 -15.515 1.00 0.00 N ATOM 921 CA GLU A 59 8.591 -6.709 -16.717 1.00 0.00 C ATOM 922 C GLU A 59 7.251 -6.224 -17.274 1.00 0.00 C ATOM 923 O GLU A 59 7.070 -5.035 -17.535 1.00 0.00 O ATOM 924 CB GLU A 59 9.344 -7.556 -17.760 1.00 0.00 C ATOM 925 CG GLU A 59 10.768 -7.930 -17.322 1.00 0.00 C ATOM 926 CD GLU A 59 11.430 -8.903 -18.316 1.00 0.00 C ATOM 927 OE1 GLU A 59 11.133 -10.120 -18.280 1.00 0.00 O ATOM 928 OE2 GLU A 59 12.266 -8.457 -19.136 1.00 0.00 O ATOM 0 H GLU A 59 8.595 -8.478 -15.602 1.00 0.00 H new ATOM 0 HA GLU A 59 9.216 -5.850 -16.475 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.779 -8.468 -17.954 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.393 -7.005 -18.699 1.00 0.00 H new ATOM 0 HG2 GLU A 59 11.373 -7.027 -17.239 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.737 -8.385 -16.332 1.00 0.00 H new ATOM 935 N ILE A 60 6.291 -7.142 -17.379 1.00 0.00 N ATOM 936 CA ILE A 60 4.947 -6.892 -17.871 1.00 0.00 C ATOM 937 C ILE A 60 4.270 -5.804 -17.034 1.00 0.00 C ATOM 938 O ILE A 60 3.735 -4.852 -17.599 1.00 0.00 O ATOM 939 CB ILE A 60 4.192 -8.243 -17.897 1.00 0.00 C ATOM 940 CG1 ILE A 60 4.672 -9.071 -19.113 1.00 0.00 C ATOM 941 CG2 ILE A 60 2.668 -8.079 -17.911 1.00 0.00 C ATOM 942 CD1 ILE A 60 4.226 -10.538 -19.085 1.00 0.00 C ATOM 0 H ILE A 60 6.439 -8.115 -17.112 1.00 0.00 H new ATOM 0 HA ILE A 60 4.953 -6.501 -18.888 1.00 0.00 H new ATOM 0 HB ILE A 60 4.425 -8.771 -16.973 1.00 0.00 H new ATOM 0 HG12 ILE A 60 4.299 -8.606 -20.026 1.00 0.00 H new ATOM 0 HG13 ILE A 60 5.760 -9.034 -19.158 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.196 -9.062 -17.929 1.00 0.00 H new ATOM 0 HG22 ILE A 60 2.352 -7.541 -17.017 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.371 -7.517 -18.797 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.602 -11.050 -19.971 1.00 0.00 H new ATOM 0 HD12 ILE A 60 4.621 -11.021 -18.191 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.137 -10.587 -19.073 1.00 0.00 H new ATOM 954 N LEU A 61 4.292 -5.902 -15.702 1.00 0.00 N ATOM 955 CA LEU A 61 3.604 -4.932 -14.857 1.00 0.00 C ATOM 956 C LEU A 61 4.306 -3.573 -14.886 1.00 0.00 C ATOM 957 O LEU A 61 3.639 -2.542 -14.781 1.00 0.00 O ATOM 958 CB LEU A 61 3.450 -5.449 -13.422 1.00 0.00 C ATOM 959 CG LEU A 61 2.478 -6.640 -13.288 1.00 0.00 C ATOM 960 CD1 LEU A 61 2.306 -6.974 -11.802 1.00 0.00 C ATOM 961 CD2 LEU A 61 1.099 -6.399 -13.918 1.00 0.00 C ATOM 0 H LEU A 61 4.777 -6.640 -15.191 1.00 0.00 H new ATOM 0 HA LEU A 61 2.602 -4.795 -15.265 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.429 -5.747 -13.047 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.100 -4.634 -12.788 1.00 0.00 H new ATOM 0 HG LEU A 61 2.922 -7.469 -13.839 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.621 -7.815 -11.695 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.273 -7.238 -11.374 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.902 -6.108 -11.279 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.477 -7.283 -13.781 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.624 -5.543 -13.438 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.215 -6.199 -14.983 1.00 0.00 H new ATOM 973 N SER A 62 5.627 -3.551 -15.079 1.00 0.00 N ATOM 974 CA SER A 62 6.358 -2.310 -15.287 1.00 0.00 C ATOM 975 C SER A 62 5.900 -1.644 -16.594 1.00 0.00 C ATOM 976 O SER A 62 5.639 -0.441 -16.602 1.00 0.00 O ATOM 977 CB SER A 62 7.869 -2.578 -15.279 1.00 0.00 C ATOM 978 OG SER A 62 8.263 -3.236 -14.086 1.00 0.00 O ATOM 0 H SER A 62 6.211 -4.387 -15.095 1.00 0.00 H new ATOM 0 HA SER A 62 6.144 -1.620 -14.471 1.00 0.00 H new ATOM 0 HB2 SER A 62 8.138 -3.189 -16.141 1.00 0.00 H new ATOM 0 HB3 SER A 62 8.409 -1.636 -15.374 1.00 0.00 H new ATOM 0 HG SER A 62 8.165 -4.205 -14.199 1.00 0.00 H new ATOM 984 N GLU A 63 5.723 -2.408 -17.679 1.00 0.00 N ATOM 985 CA GLU A 63 5.207 -1.891 -18.946 1.00 0.00 C ATOM 986 C GLU A 63 3.742 -1.442 -18.817 1.00 0.00 C ATOM 987 O GLU A 63 3.346 -0.454 -19.437 1.00 0.00 O ATOM 988 CB GLU A 63 5.362 -2.934 -20.066 1.00 0.00 C ATOM 989 CG GLU A 63 6.825 -3.105 -20.499 1.00 0.00 C ATOM 990 CD GLU A 63 6.951 -4.078 -21.686 1.00 0.00 C ATOM 991 OE1 GLU A 63 7.087 -5.304 -21.473 1.00 0.00 O ATOM 992 OE2 GLU A 63 6.936 -3.622 -22.853 1.00 0.00 O ATOM 0 H GLU A 63 5.935 -3.405 -17.700 1.00 0.00 H new ATOM 0 HA GLU A 63 5.799 -1.014 -19.209 1.00 0.00 H new ATOM 0 HB2 GLU A 63 4.971 -3.893 -19.724 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.763 -2.634 -20.926 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.239 -2.136 -20.776 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.413 -3.475 -19.659 1.00 0.00 H new ATOM 999 N MET A 64 2.949 -2.116 -17.974 1.00 0.00 N ATOM 1000 CA MET A 64 1.587 -1.711 -17.613 1.00 0.00 C ATOM 1001 C MET A 64 1.565 -0.429 -16.763 1.00 0.00 C ATOM 1002 O MET A 64 0.485 0.102 -16.491 1.00 0.00 O ATOM 1003 CB MET A 64 0.878 -2.850 -16.863 1.00 0.00 C ATOM 1004 CG MET A 64 0.551 -4.059 -17.749 1.00 0.00 C ATOM 1005 SD MET A 64 -0.880 -3.857 -18.846 1.00 0.00 S ATOM 1006 CE MET A 64 -2.207 -3.812 -17.608 1.00 0.00 C ATOM 0 H MET A 64 3.245 -2.977 -17.514 1.00 0.00 H new ATOM 0 HA MET A 64 1.057 -1.496 -18.541 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.508 -3.176 -16.036 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.046 -2.468 -16.429 1.00 0.00 H new ATOM 0 HG2 MET A 64 1.425 -4.288 -18.359 1.00 0.00 H new ATOM 0 HG3 MET A 64 0.376 -4.922 -17.106 1.00 0.00 H new ATOM 0 HE1 MET A 64 -3.163 -4.012 -18.092 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.020 -4.569 -16.846 1.00 0.00 H new ATOM 0 HE3 MET A 64 -2.236 -2.827 -17.141 1.00 0.00 H new ATOM 1016 N GLY A 65 2.722 0.087 -16.339 1.00 0.00 N ATOM 1017 CA GLY A 65 2.828 1.367 -15.657 1.00 0.00 C ATOM 1018 C GLY A 65 2.526 1.274 -14.164 1.00 0.00 C ATOM 1019 O GLY A 65 2.175 2.291 -13.564 1.00 0.00 O ATOM 0 H GLY A 65 3.619 -0.383 -16.464 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.834 1.764 -15.795 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.140 2.076 -16.118 1.00 0.00 H new ATOM 1023 N TYR A 66 2.626 0.088 -13.552 1.00 0.00 N ATOM 1024 CA TYR A 66 2.573 -0.028 -12.097 1.00 0.00 C ATOM 1025 C TYR A 66 3.808 0.672 -11.541 1.00 0.00 C ATOM 1026 O TYR A 66 4.938 0.319 -11.886 1.00 0.00 O ATOM 1027 CB TYR A 66 2.463 -1.494 -11.658 1.00 0.00 C ATOM 1028 CG TYR A 66 1.036 -1.997 -11.749 1.00 0.00 C ATOM 1029 CD1 TYR A 66 0.452 -2.271 -13.001 1.00 0.00 C ATOM 1030 CD2 TYR A 66 0.254 -2.062 -10.583 1.00 0.00 C ATOM 1031 CE1 TYR A 66 -0.926 -2.538 -13.097 1.00 0.00 C ATOM 1032 CE2 TYR A 66 -1.120 -2.336 -10.671 1.00 0.00 C ATOM 1033 CZ TYR A 66 -1.726 -2.533 -11.931 1.00 0.00 C ATOM 1034 OH TYR A 66 -3.078 -2.646 -12.030 1.00 0.00 O ATOM 0 H TYR A 66 2.743 -0.799 -14.042 1.00 0.00 H new ATOM 0 HA TYR A 66 1.680 0.453 -11.699 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.108 -2.111 -12.284 1.00 0.00 H new ATOM 0 HB3 TYR A 66 2.821 -1.596 -10.633 1.00 0.00 H new ATOM 0 HD1 TYR A 66 1.064 -2.276 -13.891 1.00 0.00 H new ATOM 0 HD2 TYR A 66 0.711 -1.901 -9.618 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -1.372 -2.746 -14.059 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -1.715 -2.396 -9.772 1.00 0.00 H new ATOM 0 HH TYR A 66 -3.494 -2.336 -11.198 1.00 0.00 H new ATOM 1044 N THR A 67 3.594 1.705 -10.727 1.00 0.00 N ATOM 1045 CA THR A 67 4.650 2.611 -10.295 1.00 0.00 C ATOM 1046 C THR A 67 5.510 1.991 -9.187 1.00 0.00 C ATOM 1047 O THR A 67 6.627 2.454 -8.948 1.00 0.00 O ATOM 1048 CB THR A 67 4.011 3.948 -9.882 1.00 0.00 C ATOM 1049 OG1 THR A 67 2.957 3.729 -8.967 1.00 0.00 O ATOM 1050 CG2 THR A 67 3.412 4.661 -11.101 1.00 0.00 C ATOM 0 H THR A 67 2.676 1.936 -10.348 1.00 0.00 H new ATOM 0 HA THR A 67 5.338 2.797 -11.120 1.00 0.00 H new ATOM 0 HB THR A 67 4.795 4.556 -9.430 1.00 0.00 H new ATOM 0 HG1 THR A 67 2.561 4.589 -8.712 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.965 5.604 -10.787 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.198 4.857 -11.831 1.00 0.00 H new ATOM 0 HG23 THR A 67 2.647 4.029 -11.552 1.00 0.00 H new ATOM 1058 N HIS A 68 5.030 0.912 -8.556 1.00 0.00 N ATOM 1059 CA HIS A 68 5.777 0.107 -7.608 1.00 0.00 C ATOM 1060 C HIS A 68 5.503 -1.358 -7.941 1.00 0.00 C ATOM 1061 O HIS A 68 4.354 -1.804 -7.946 1.00 0.00 O ATOM 1062 CB HIS A 68 5.353 0.432 -6.168 1.00 0.00 C ATOM 1063 CG HIS A 68 5.706 1.822 -5.694 1.00 0.00 C ATOM 1064 ND1 HIS A 68 6.732 2.151 -4.836 1.00 0.00 N ATOM 1065 CD2 HIS A 68 5.033 2.982 -5.978 1.00 0.00 C ATOM 1066 CE1 HIS A 68 6.682 3.474 -4.613 1.00 0.00 C ATOM 1067 NE2 HIS A 68 5.664 4.032 -5.296 1.00 0.00 N ATOM 0 H HIS A 68 4.079 0.572 -8.703 1.00 0.00 H new ATOM 0 HA HIS A 68 6.844 0.319 -7.681 1.00 0.00 H new ATOM 0 HB2 HIS A 68 4.274 0.300 -6.085 1.00 0.00 H new ATOM 0 HB3 HIS A 68 5.816 -0.292 -5.497 1.00 0.00 H new ATOM 0 HD2 HIS A 68 4.167 3.072 -6.617 1.00 0.00 H new ATOM 0 HE1 HIS A 68 7.364 4.016 -3.974 1.00 0.00 H new ATOM 0 HE2 HIS A 68 5.405 5.018 -5.314 1.00 0.00 H new ATOM 1075 N VAL A 69 6.566 -2.111 -8.203 1.00 0.00 N ATOM 1076 CA VAL A 69 6.548 -3.548 -8.436 1.00 0.00 C ATOM 1077 C VAL A 69 7.803 -4.074 -7.737 1.00 0.00 C ATOM 1078 O VAL A 69 8.818 -3.373 -7.670 1.00 0.00 O ATOM 1079 CB VAL A 69 6.549 -3.862 -9.956 1.00 0.00 C ATOM 1080 CG1 VAL A 69 6.509 -5.372 -10.247 1.00 0.00 C ATOM 1081 CG2 VAL A 69 5.359 -3.227 -10.695 1.00 0.00 C ATOM 0 H VAL A 69 7.505 -1.717 -8.261 1.00 0.00 H new ATOM 0 HA VAL A 69 5.649 -4.024 -8.045 1.00 0.00 H new ATOM 0 HB VAL A 69 7.484 -3.434 -10.318 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.511 -5.535 -11.325 1.00 0.00 H new ATOM 0 HG12 VAL A 69 7.383 -5.851 -9.806 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.604 -5.802 -9.817 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.411 -3.480 -11.754 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.427 -3.607 -10.277 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.394 -2.144 -10.579 1.00 0.00 H new ATOM 1091 N GLU A 70 7.754 -5.303 -7.236 1.00 0.00 N ATOM 1092 CA GLU A 70 8.916 -6.020 -6.741 1.00 0.00 C ATOM 1093 C GLU A 70 8.784 -7.464 -7.218 1.00 0.00 C ATOM 1094 O GLU A 70 7.693 -7.907 -7.584 1.00 0.00 O ATOM 1095 CB GLU A 70 9.001 -5.923 -5.206 1.00 0.00 C ATOM 1096 CG GLU A 70 10.456 -5.906 -4.723 1.00 0.00 C ATOM 1097 CD GLU A 70 10.543 -5.819 -3.189 1.00 0.00 C ATOM 1098 OE1 GLU A 70 10.537 -6.873 -2.516 1.00 0.00 O ATOM 1099 OE2 GLU A 70 10.630 -4.695 -2.644 1.00 0.00 O ATOM 0 H GLU A 70 6.888 -5.836 -7.163 1.00 0.00 H new ATOM 0 HA GLU A 70 9.841 -5.587 -7.123 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.494 -5.019 -4.869 1.00 0.00 H new ATOM 0 HB3 GLU A 70 8.478 -6.768 -4.758 1.00 0.00 H new ATOM 0 HG2 GLU A 70 10.964 -6.807 -5.066 1.00 0.00 H new ATOM 0 HG3 GLU A 70 10.977 -5.057 -5.166 1.00 0.00 H new ATOM 1106 N ASN A 71 9.881 -8.213 -7.197 1.00 0.00 N ATOM 1107 CA ASN A 71 9.899 -9.615 -7.579 1.00 0.00 C ATOM 1108 C ASN A 71 10.482 -10.391 -6.410 1.00 0.00 C ATOM 1109 O ASN A 71 11.527 -10.004 -5.881 1.00 0.00 O ATOM 1110 CB ASN A 71 10.740 -9.805 -8.846 1.00 0.00 C ATOM 1111 CG ASN A 71 10.798 -11.278 -9.213 1.00 0.00 C ATOM 1112 OD1 ASN A 71 11.578 -12.041 -8.657 1.00 0.00 O ATOM 1113 ND2 ASN A 71 9.940 -11.723 -10.107 1.00 0.00 N ATOM 0 H ASN A 71 10.793 -7.856 -6.910 1.00 0.00 H new ATOM 0 HA ASN A 71 8.895 -9.975 -7.803 1.00 0.00 H new ATOM 0 HB2 ASN A 71 10.309 -9.233 -9.668 1.00 0.00 H new ATOM 0 HB3 ASN A 71 11.748 -9.422 -8.685 1.00 0.00 H new ATOM 0 HD21 ASN A 71 9.919 -12.715 -10.344 1.00 0.00 H new ATOM 0 HD22 ASN A 71 9.296 -11.076 -10.562 1.00 0.00 H new ATOM 1120 N ALA A 72 9.811 -11.475 -6.018 1.00 0.00 N ATOM 1121 CA ALA A 72 10.195 -12.291 -4.874 1.00 0.00 C ATOM 1122 C ALA A 72 10.561 -13.721 -5.300 1.00 0.00 C ATOM 1123 O ALA A 72 10.571 -14.631 -4.471 1.00 0.00 O ATOM 1124 CB ALA A 72 9.080 -12.238 -3.823 1.00 0.00 C ATOM 0 H ALA A 72 8.975 -11.812 -6.495 1.00 0.00 H new ATOM 0 HA ALA A 72 11.100 -11.887 -4.421 1.00 0.00 H new ATOM 0 HB1 ALA A 72 9.361 -12.847 -2.964 1.00 0.00 H new ATOM 0 HB2 ALA A 72 8.930 -11.207 -3.504 1.00 0.00 H new ATOM 0 HB3 ALA A 72 8.156 -12.623 -4.254 1.00 0.00 H new ATOM 1130 N GLY A 73 10.868 -13.925 -6.585 1.00 0.00 N ATOM 1131 CA GLY A 73 11.284 -15.204 -7.131 1.00 0.00 C ATOM 1132 C GLY A 73 10.110 -16.165 -7.123 1.00 0.00 C ATOM 1133 O GLY A 73 9.204 -16.042 -7.956 1.00 0.00 O ATOM 0 H GLY A 73 10.831 -13.183 -7.284 1.00 0.00 H new ATOM 0 HA2 GLY A 73 11.654 -15.074 -8.148 1.00 0.00 H new ATOM 0 HA3 GLY A 73 12.106 -15.612 -6.543 1.00 0.00 H new ATOM 1137 N GLY A 74 10.087 -17.100 -6.178 1.00 0.00 N ATOM 1138 CA GLY A 74 9.039 -18.090 -6.113 1.00 0.00 C ATOM 1139 C GLY A 74 8.869 -18.674 -4.728 1.00 0.00 C ATOM 1140 O GLY A 74 9.689 -18.475 -3.829 1.00 0.00 O ATOM 0 H GLY A 74 10.792 -17.185 -5.446 1.00 0.00 H new ATOM 0 HA2 GLY A 74 8.099 -17.638 -6.430 1.00 0.00 H new ATOM 0 HA3 GLY A 74 9.260 -18.893 -6.816 1.00 0.00 H new ATOM 1144 N LEU A 75 7.771 -19.407 -4.568 1.00 0.00 N ATOM 1145 CA LEU A 75 7.272 -19.863 -3.282 1.00 0.00 C ATOM 1146 C LEU A 75 8.222 -20.818 -2.557 1.00 0.00 C ATOM 1147 O LEU A 75 8.147 -20.944 -1.334 1.00 0.00 O ATOM 1148 CB LEU A 75 5.893 -20.494 -3.513 1.00 0.00 C ATOM 1149 CG LEU A 75 5.074 -20.696 -2.229 1.00 0.00 C ATOM 1150 CD1 LEU A 75 4.949 -19.419 -1.393 1.00 0.00 C ATOM 1151 CD2 LEU A 75 3.674 -21.145 -2.633 1.00 0.00 C ATOM 0 H LEU A 75 7.191 -19.706 -5.352 1.00 0.00 H new ATOM 0 HA LEU A 75 7.194 -19.005 -2.614 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.326 -19.863 -4.197 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.024 -21.459 -4.003 1.00 0.00 H new ATOM 0 HG LEU A 75 5.589 -21.436 -1.617 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.360 -19.625 -0.499 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.942 -19.076 -1.102 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.456 -18.645 -1.982 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.068 -21.297 -1.739 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.213 -20.380 -3.258 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.738 -22.079 -3.190 1.00 0.00 H new ATOM 1163 N LYS A 76 9.127 -21.468 -3.295 1.00 0.00 N ATOM 1164 CA LYS A 76 10.182 -22.295 -2.718 1.00 0.00 C ATOM 1165 C LYS A 76 11.165 -21.451 -1.909 1.00 0.00 C ATOM 1166 O LYS A 76 11.628 -21.898 -0.859 1.00 0.00 O ATOM 1167 CB LYS A 76 10.935 -23.027 -3.842 1.00 0.00 C ATOM 1168 CG LYS A 76 10.086 -24.097 -4.545 1.00 0.00 C ATOM 1169 CD LYS A 76 10.797 -24.598 -5.809 1.00 0.00 C ATOM 1170 CE LYS A 76 10.034 -25.778 -6.422 1.00 0.00 C ATOM 1171 NZ LYS A 76 10.540 -26.122 -7.774 1.00 0.00 N ATOM 0 H LYS A 76 9.145 -21.433 -4.314 1.00 0.00 H new ATOM 0 HA LYS A 76 9.720 -23.019 -2.047 1.00 0.00 H new ATOM 0 HB2 LYS A 76 11.272 -22.298 -4.579 1.00 0.00 H new ATOM 0 HB3 LYS A 76 11.827 -23.496 -3.427 1.00 0.00 H new ATOM 0 HG2 LYS A 76 9.906 -24.931 -3.867 1.00 0.00 H new ATOM 0 HG3 LYS A 76 9.112 -23.683 -4.807 1.00 0.00 H new ATOM 0 HD2 LYS A 76 10.872 -23.789 -6.536 1.00 0.00 H new ATOM 0 HD3 LYS A 76 11.815 -24.903 -5.564 1.00 0.00 H new ATOM 0 HE2 LYS A 76 10.123 -26.646 -5.769 1.00 0.00 H new ATOM 0 HE3 LYS A 76 8.974 -25.532 -6.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 10.272 -27.100 -8.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 10.127 -25.474 -8.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 11.576 -26.034 -7.790 1.00 0.00 H new ATOM 1185 N ASP A 77 11.504 -20.252 -2.392 1.00 0.00 N ATOM 1186 CA ASP A 77 12.456 -19.366 -1.723 1.00 0.00 C ATOM 1187 C ASP A 77 11.772 -18.579 -0.606 1.00 0.00 C ATOM 1188 O ASP A 77 12.382 -18.317 0.431 1.00 0.00 O ATOM 1189 CB ASP A 77 13.070 -18.390 -2.733 1.00 0.00 C ATOM 1190 CG ASP A 77 14.067 -17.443 -2.043 1.00 0.00 C ATOM 1191 OD1 ASP A 77 15.181 -17.890 -1.688 1.00 0.00 O ATOM 1192 OD2 ASP A 77 13.760 -16.241 -1.882 1.00 0.00 O ATOM 0 H ASP A 77 11.125 -19.870 -3.258 1.00 0.00 H new ATOM 0 HA ASP A 77 13.243 -19.982 -1.288 1.00 0.00 H new ATOM 0 HB2 ASP A 77 13.577 -18.947 -3.521 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.281 -17.809 -3.210 1.00 0.00 H new ATOM 1197 N ILE A 78 10.500 -18.220 -0.806 1.00 0.00 N ATOM 1198 CA ILE A 78 9.708 -17.469 0.163 1.00 0.00 C ATOM 1199 C ILE A 78 9.485 -18.364 1.390 1.00 0.00 C ATOM 1200 O ILE A 78 9.038 -19.507 1.262 1.00 0.00 O ATOM 1201 CB ILE A 78 8.388 -16.990 -0.493 1.00 0.00 C ATOM 1202 CG1 ILE A 78 8.686 -15.970 -1.620 1.00 0.00 C ATOM 1203 CG2 ILE A 78 7.432 -16.362 0.539 1.00 0.00 C ATOM 1204 CD1 ILE A 78 7.488 -15.680 -2.531 1.00 0.00 C ATOM 0 H ILE A 78 9.988 -18.448 -1.658 1.00 0.00 H new ATOM 0 HA ILE A 78 10.227 -16.568 0.492 1.00 0.00 H new ATOM 0 HB ILE A 78 7.898 -17.867 -0.916 1.00 0.00 H new ATOM 0 HG12 ILE A 78 9.022 -15.036 -1.171 1.00 0.00 H new ATOM 0 HG13 ILE A 78 9.509 -16.346 -2.228 1.00 0.00 H new ATOM 0 HG21 ILE A 78 6.519 -16.039 0.039 1.00 0.00 H new ATOM 0 HG22 ILE A 78 7.186 -17.099 1.303 1.00 0.00 H new ATOM 0 HG23 ILE A 78 7.914 -15.503 1.005 1.00 0.00 H new ATOM 0 HD11 ILE A 78 7.777 -14.957 -3.294 1.00 0.00 H new ATOM 0 HD12 ILE A 78 7.164 -16.603 -3.011 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.670 -15.273 -1.937 1.00 0.00 H new ATOM 1216 N ALA A 79 9.733 -17.814 2.584 1.00 0.00 N ATOM 1217 CA ALA A 79 9.597 -18.509 3.865 1.00 0.00 C ATOM 1218 C ALA A 79 8.613 -17.789 4.797 1.00 0.00 C ATOM 1219 O ALA A 79 8.689 -17.902 6.022 1.00 0.00 O ATOM 1220 CB ALA A 79 10.986 -18.715 4.484 1.00 0.00 C ATOM 0 H ALA A 79 10.042 -16.847 2.687 1.00 0.00 H new ATOM 0 HA ALA A 79 9.162 -19.495 3.700 1.00 0.00 H new ATOM 0 HB1 ALA A 79 10.886 -19.232 5.438 1.00 0.00 H new ATOM 0 HB2 ALA A 79 11.600 -19.312 3.810 1.00 0.00 H new ATOM 0 HB3 ALA A 79 11.460 -17.747 4.644 1.00 0.00 H new ATOM 1226 N MET A 80 7.693 -17.031 4.198 1.00 0.00 N ATOM 1227 CA MET A 80 6.532 -16.476 4.890 1.00 0.00 C ATOM 1228 C MET A 80 5.583 -17.632 5.259 1.00 0.00 C ATOM 1229 O MET A 80 5.664 -18.693 4.629 1.00 0.00 O ATOM 1230 CB MET A 80 5.817 -15.455 3.988 1.00 0.00 C ATOM 1231 CG MET A 80 6.622 -14.162 3.833 1.00 0.00 C ATOM 1232 SD MET A 80 5.807 -12.896 2.820 1.00 0.00 S ATOM 1233 CE MET A 80 4.407 -12.438 3.883 1.00 0.00 C ATOM 0 H MET A 80 7.735 -16.784 3.209 1.00 0.00 H new ATOM 0 HA MET A 80 6.848 -15.960 5.797 1.00 0.00 H new ATOM 0 HB2 MET A 80 5.647 -15.896 3.006 1.00 0.00 H new ATOM 0 HB3 MET A 80 4.838 -15.224 4.408 1.00 0.00 H new ATOM 0 HG2 MET A 80 6.819 -13.749 4.822 1.00 0.00 H new ATOM 0 HG3 MET A 80 7.589 -14.400 3.389 1.00 0.00 H new ATOM 0 HE1 MET A 80 3.929 -11.541 3.489 1.00 0.00 H new ATOM 0 HE2 MET A 80 3.685 -13.254 3.905 1.00 0.00 H new ATOM 0 HE3 MET A 80 4.766 -12.244 4.894 1.00 0.00 H new ATOM 1243 N PRO A 81 4.677 -17.452 6.241 1.00 0.00 N ATOM 1244 CA PRO A 81 3.647 -18.434 6.569 1.00 0.00 C ATOM 1245 C PRO A 81 2.889 -18.905 5.323 1.00 0.00 C ATOM 1246 O PRO A 81 2.583 -18.104 4.432 1.00 0.00 O ATOM 1247 CB PRO A 81 2.720 -17.742 7.574 1.00 0.00 C ATOM 1248 CG PRO A 81 3.625 -16.712 8.244 1.00 0.00 C ATOM 1249 CD PRO A 81 4.563 -16.292 7.115 1.00 0.00 C ATOM 0 HA PRO A 81 4.084 -19.339 6.992 1.00 0.00 H new ATOM 0 HB2 PRO A 81 1.872 -17.269 7.078 1.00 0.00 H new ATOM 0 HB3 PRO A 81 2.313 -18.449 8.297 1.00 0.00 H new ATOM 0 HG2 PRO A 81 3.056 -15.867 8.632 1.00 0.00 H new ATOM 0 HG3 PRO A 81 4.171 -17.141 9.084 1.00 0.00 H new ATOM 0 HD2 PRO A 81 4.165 -15.433 6.575 1.00 0.00 H new ATOM 0 HD3 PRO A 81 5.538 -15.999 7.505 1.00 0.00 H new ATOM 1257 N LYS A 82 2.558 -20.198 5.272 1.00 0.00 N ATOM 1258 CA LYS A 82 1.953 -20.829 4.101 1.00 0.00 C ATOM 1259 C LYS A 82 0.545 -21.322 4.421 1.00 0.00 C ATOM 1260 O LYS A 82 0.172 -21.492 5.584 1.00 0.00 O ATOM 1261 CB LYS A 82 2.805 -22.024 3.614 1.00 0.00 C ATOM 1262 CG LYS A 82 4.283 -21.759 3.279 1.00 0.00 C ATOM 1263 CD LYS A 82 4.491 -20.739 2.146 1.00 0.00 C ATOM 1264 CE LYS A 82 5.969 -20.398 1.867 1.00 0.00 C ATOM 1265 NZ LYS A 82 6.788 -21.535 1.377 1.00 0.00 N ATOM 0 H LYS A 82 2.705 -20.840 6.051 1.00 0.00 H new ATOM 0 HA LYS A 82 1.905 -20.077 3.313 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.768 -22.797 4.382 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.328 -22.436 2.724 1.00 0.00 H new ATOM 0 HG2 LYS A 82 4.790 -21.401 4.175 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.757 -22.700 2.999 1.00 0.00 H new ATOM 0 HD2 LYS A 82 4.041 -21.130 1.233 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.959 -19.821 2.396 1.00 0.00 H new ATOM 0 HE2 LYS A 82 6.009 -19.595 1.131 1.00 0.00 H new ATOM 0 HE3 LYS A 82 6.418 -20.013 2.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 7.439 -21.842 2.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 6.164 -22.325 1.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 7.335 -21.235 0.545 1.00 0.00 H new ATOM 1279 N VAL A 83 -0.195 -21.624 3.363 1.00 0.00 N ATOM 1280 CA VAL A 83 -1.460 -22.342 3.346 1.00 0.00 C ATOM 1281 C VAL A 83 -1.229 -23.442 2.308 1.00 0.00 C ATOM 1282 O VAL A 83 -0.499 -23.216 1.339 1.00 0.00 O ATOM 1283 CB VAL A 83 -2.618 -21.392 2.962 1.00 0.00 C ATOM 1284 CG1 VAL A 83 -3.981 -22.094 3.057 1.00 0.00 C ATOM 1285 CG2 VAL A 83 -2.659 -20.145 3.857 1.00 0.00 C ATOM 0 H VAL A 83 0.096 -21.352 2.424 1.00 0.00 H new ATOM 0 HA VAL A 83 -1.747 -22.753 4.314 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.427 -21.093 1.931 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -4.770 -21.395 2.780 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.998 -22.948 2.380 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -4.143 -22.438 4.079 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.487 -19.505 3.552 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.796 -20.447 4.895 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.722 -19.596 3.760 1.00 0.00 H new ATOM 1295 N LYS A 84 -1.787 -24.636 2.507 1.00 0.00 N ATOM 1296 CA LYS A 84 -1.513 -25.808 1.673 1.00 0.00 C ATOM 1297 C LYS A 84 -2.801 -26.598 1.450 1.00 0.00 C ATOM 1298 O LYS A 84 -3.807 -26.356 2.125 1.00 0.00 O ATOM 1299 CB LYS A 84 -0.430 -26.688 2.333 1.00 0.00 C ATOM 1300 CG LYS A 84 0.949 -26.004 2.384 1.00 0.00 C ATOM 1301 CD LYS A 84 2.081 -26.932 2.850 1.00 0.00 C ATOM 1302 CE LYS A 84 2.360 -28.129 1.923 1.00 0.00 C ATOM 1303 NZ LYS A 84 2.701 -27.722 0.537 1.00 0.00 N ATOM 0 H LYS A 84 -2.450 -24.820 3.260 1.00 0.00 H new ATOM 0 HA LYS A 84 -1.138 -25.481 0.703 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.742 -26.941 3.346 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -0.345 -27.625 1.782 1.00 0.00 H new ATOM 0 HG2 LYS A 84 1.191 -25.619 1.393 1.00 0.00 H new ATOM 0 HG3 LYS A 84 0.895 -25.146 3.054 1.00 0.00 H new ATOM 0 HD2 LYS A 84 2.995 -26.346 2.948 1.00 0.00 H new ATOM 0 HD3 LYS A 84 1.837 -27.309 3.843 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.180 -28.717 2.335 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.483 -28.776 1.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 3.120 -28.528 0.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.839 -27.415 0.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.383 -26.937 0.563 1.00 0.00 H new ATOM 1317 N GLY A 85 -2.769 -27.552 0.522 1.00 0.00 N ATOM 1318 CA GLY A 85 -3.876 -28.439 0.203 1.00 0.00 C ATOM 1319 C GLY A 85 -3.352 -29.654 -0.555 1.00 0.00 C ATOM 1320 O GLY A 85 -4.180 -30.481 -0.988 1.00 0.00 O ATOM 1321 OXT GLY A 85 -2.117 -29.796 -0.687 1.00 0.00 O ATOM 0 H GLY A 85 -1.941 -27.732 -0.046 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -4.377 -28.756 1.118 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -4.616 -27.912 -0.400 1.00 0.00 H new TER 1325 GLY A 85