USER MOD reduce.3.24.130724 H: found=0, std=0, add=1041, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1037 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 116 TYR OH : rot 165:sc= -0.504 USER MOD Set 1.2: A 117 GLN : amide:sc= -3.03 K(o=-3.5,f=-4.4!) USER MOD Set 2.1: A 110 GLN :FLIP amide:sc= -0.658 F(o=-4.9!,f=-3.6) USER MOD Set 2.2: A 113 GLN : amide:sc= -2.95! C(o=-3.6!,f=-7.6!) USER MOD Set 3.1: A 46 THR OG1 : rot 71:sc= 0.791 USER MOD Set 3.2: A 47 HIS :FLIP no HD1:sc= -2.45! C(o=-4.3!,f=-1.7!) USER MOD Set 4.1: A 8 CYS SG : rot 144:sc= 0.572 USER MOD Set 4.2: A 34 CYS SG : rot 128:sc= -1.19 USER MOD Single : A 1 MET CE :methyl -141:sc= -0.216 (180deg=-1.33!) USER MOD Single : A 1 MET N :NH3+ -161:sc= -0.0464 (180deg=-0.527) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= 0.0026 X(o=0.0026,f=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0475 USER MOD Single : A 18 GLN : amide:sc= -0.553 K(o=-0.55,f=-2.4!) USER MOD Single : A 20 CYS SG : rot 82:sc= -2.2! USER MOD Single : A 21 GLN : amide:sc= -10.5! C(o=-11!,f=-14!) USER MOD Single : A 25 SER OG : rot 132:sc= 1.02 USER MOD Single : A 29 TYR OH : rot 180:sc= -0.718 USER MOD Single : A 30 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 32 GLN : amide:sc= -0.688 X(o=-0.69,f=-0.32) USER MOD Single : A 36 SER OG : rot 77:sc= 0.556 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 180:sc= -2.23! USER MOD Single : A 45 GLN : amide:sc= -1.74 K(o=-1.7,f=-3.3!) USER MOD Single : A 50 GLN : amide:sc= -0.203 X(o=-0.2,f=-0.62) USER MOD Single : A 53 CYS SG : rot 66:sc= -6.11! USER MOD Single : A 60 ASN : amide:sc= 0.283 X(o=0.28,f=-0.14) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.839 X(o=-0.84,f=-0.95) USER MOD Single : A 69 GLN : amide:sc= -0.535 X(o=-0.53,f=-0.51) USER MOD Single : A 71 CYS SG : rot 39:sc= -6.85! USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.208) USER MOD Single : A 97 GLN : amide:sc= -0.109 X(o=-0.11,f=-0.51) USER MOD Single : A 99 TYR OH : rot -11:sc= -0.759 USER MOD Single : A 100 HIS : no HD1:sc= -16.6! C(o=-17!,f=-24!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 105 HIS :FLIP no HD1:sc= -1.81 F(o=-2.6,f=-1.8) USER MOD Single : A 109 HIS :FLIP no HD1:sc= -0.854 F(o=-1.4,f=-0.85) USER MOD Single : A 133 THR OG1 : rot 180:sc= 0.0987 USER MOD Single : A 134 MET CE :methyl 148:sc= -0.367 (180deg=-2.01!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.284 12.979 17.215 1.00 0.00 N ATOM 2 CA MET A 1 1.083 12.391 17.287 1.00 0.00 C ATOM 3 C MET A 1 1.021 10.884 17.048 1.00 0.00 C ATOM 4 O MET A 1 0.764 10.117 17.952 1.00 0.00 O ATOM 5 CB MET A 1 1.583 12.670 18.707 1.00 0.00 C ATOM 6 CG MET A 1 1.741 14.176 18.922 1.00 0.00 C ATOM 7 SD MET A 1 2.451 14.468 20.559 1.00 0.00 S ATOM 8 CE MET A 1 1.026 13.888 21.512 1.00 0.00 C ATOM 0 H1 MET A 1 -0.213 14.004 17.056 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.809 12.542 16.430 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.786 12.801 18.108 1.00 0.00 H new ATOM 0 HA MET A 1 1.743 12.819 16.532 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.881 12.263 19.435 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.537 12.169 18.870 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.385 14.600 18.152 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.774 14.672 18.838 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.884 14.530 22.382 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.133 13.920 20.888 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.201 12.864 21.842 1.00 0.00 H new ATOM 20 N LEU A 2 1.265 10.452 15.846 1.00 0.00 N ATOM 21 CA LEU A 2 1.228 8.991 15.571 1.00 0.00 C ATOM 22 C LEU A 2 2.398 8.303 16.274 1.00 0.00 C ATOM 23 O LEU A 2 3.514 8.779 16.242 1.00 0.00 O ATOM 24 CB LEU A 2 1.373 8.868 14.056 1.00 0.00 C ATOM 25 CG LEU A 2 1.560 7.396 13.688 1.00 0.00 C ATOM 26 CD1 LEU A 2 0.198 6.709 13.649 1.00 0.00 C ATOM 27 CD2 LEU A 2 2.229 7.299 12.317 1.00 0.00 C ATOM 0 H LEU A 2 1.487 11.043 15.045 1.00 0.00 H new ATOM 0 HA LEU A 2 0.311 8.523 15.931 1.00 0.00 H new ATOM 0 HB2 LEU A 2 0.490 9.270 13.560 1.00 0.00 H new ATOM 0 HB3 LEU A 2 2.226 9.453 13.711 1.00 0.00 H new ATOM 0 HG LEU A 2 2.189 6.906 14.431 1.00 0.00 H new ATOM 0 HD11 LEU A 2 0.328 5.659 13.387 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -0.275 6.783 14.628 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -0.433 7.194 12.904 1.00 0.00 H new ATOM 0 HD21 LEU A 2 2.364 6.251 12.051 1.00 0.00 H new ATOM 0 HD22 LEU A 2 1.601 7.785 11.570 1.00 0.00 H new ATOM 0 HD23 LEU A 2 3.200 7.793 12.350 1.00 0.00 H new ATOM 39 N SER A 3 2.154 7.184 16.897 1.00 0.00 N ATOM 40 CA SER A 3 3.266 6.467 17.581 1.00 0.00 C ATOM 41 C SER A 3 4.152 5.812 16.531 1.00 0.00 C ATOM 42 O SER A 3 5.353 5.983 16.512 1.00 0.00 O ATOM 43 CB SER A 3 2.595 5.410 18.450 1.00 0.00 C ATOM 44 OG SER A 3 1.958 6.043 19.552 1.00 0.00 O ATOM 0 H SER A 3 1.239 6.737 16.962 1.00 0.00 H new ATOM 0 HA SER A 3 3.891 7.131 18.179 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.864 4.852 17.865 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.334 4.692 18.806 1.00 0.00 H new ATOM 0 HG SER A 3 1.524 5.366 20.112 1.00 0.00 H new ATOM 50 N GLN A 4 3.552 5.075 15.643 1.00 0.00 N ATOM 51 CA GLN A 4 4.336 4.414 14.571 1.00 0.00 C ATOM 52 C GLN A 4 3.455 4.168 13.351 1.00 0.00 C ATOM 53 O GLN A 4 2.244 4.096 13.441 1.00 0.00 O ATOM 54 CB GLN A 4 4.835 3.102 15.177 1.00 0.00 C ATOM 55 CG GLN A 4 5.812 3.430 16.308 1.00 0.00 C ATOM 56 CD GLN A 4 6.703 2.222 16.608 1.00 0.00 C ATOM 57 OE1 GLN A 4 6.225 1.115 16.758 1.00 0.00 O ATOM 58 NE2 GLN A 4 7.994 2.393 16.703 1.00 0.00 N ATOM 0 H GLN A 4 2.547 4.902 15.614 1.00 0.00 H new ATOM 0 HA GLN A 4 5.170 5.028 14.230 1.00 0.00 H new ATOM 0 HB2 GLN A 4 3.997 2.518 15.558 1.00 0.00 H new ATOM 0 HB3 GLN A 4 5.326 2.496 14.416 1.00 0.00 H new ATOM 0 HG2 GLN A 4 6.428 4.285 16.029 1.00 0.00 H new ATOM 0 HG3 GLN A 4 5.260 3.714 17.204 1.00 0.00 H new ATOM 0 HE21 GLN A 4 8.396 3.322 16.577 1.00 0.00 H new ATOM 0 HE22 GLN A 4 8.600 1.598 16.903 1.00 0.00 H new ATOM 67 N ILE A 5 4.061 4.050 12.211 1.00 0.00 N ATOM 68 CA ILE A 5 3.292 3.824 10.963 1.00 0.00 C ATOM 69 C ILE A 5 3.255 2.338 10.626 1.00 0.00 C ATOM 70 O ILE A 5 4.237 1.636 10.754 1.00 0.00 O ATOM 71 CB ILE A 5 4.074 4.601 9.909 1.00 0.00 C ATOM 72 CG1 ILE A 5 4.036 6.085 10.264 1.00 0.00 C ATOM 73 CG2 ILE A 5 3.447 4.381 8.536 1.00 0.00 C ATOM 74 CD1 ILE A 5 4.719 6.899 9.170 1.00 0.00 C ATOM 0 H ILE A 5 5.072 4.101 12.088 1.00 0.00 H new ATOM 0 HA ILE A 5 2.254 4.147 11.036 1.00 0.00 H new ATOM 0 HB ILE A 5 5.107 4.254 9.883 1.00 0.00 H new ATOM 0 HG12 ILE A 5 3.003 6.413 10.382 1.00 0.00 H new ATOM 0 HG13 ILE A 5 4.535 6.252 11.219 1.00 0.00 H new ATOM 0 HG21 ILE A 5 4.009 4.938 7.786 1.00 0.00 H new ATOM 0 HG22 ILE A 5 3.470 3.319 8.292 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.414 4.729 8.548 1.00 0.00 H new ATOM 0 HD11 ILE A 5 4.688 7.957 9.431 1.00 0.00 H new ATOM 0 HD12 ILE A 5 5.757 6.580 9.073 1.00 0.00 H new ATOM 0 HD13 ILE A 5 4.201 6.743 8.224 1.00 0.00 H new ATOM 86 N ALA A 6 2.125 1.849 10.197 1.00 0.00 N ATOM 87 CA ALA A 6 2.031 0.415 9.850 1.00 0.00 C ATOM 88 C ALA A 6 2.094 0.257 8.332 1.00 0.00 C ATOM 89 O ALA A 6 1.173 0.591 7.615 1.00 0.00 O ATOM 90 CB ALA A 6 0.680 -0.020 10.402 1.00 0.00 C ATOM 0 H ALA A 6 1.266 2.385 10.074 1.00 0.00 H new ATOM 0 HA ALA A 6 2.842 -0.187 10.261 1.00 0.00 H new ATOM 0 HB1 ALA A 6 0.524 -1.078 10.189 1.00 0.00 H new ATOM 0 HB2 ALA A 6 0.659 0.140 11.480 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -0.111 0.565 9.932 1.00 0.00 H new ATOM 96 N ILE A 7 3.191 -0.236 7.840 1.00 0.00 N ATOM 97 CA ILE A 7 3.345 -0.403 6.368 1.00 0.00 C ATOM 98 C ILE A 7 3.463 -1.880 6.008 1.00 0.00 C ATOM 99 O ILE A 7 4.082 -2.658 6.701 1.00 0.00 O ATOM 100 CB ILE A 7 4.635 0.346 6.012 1.00 0.00 C ATOM 101 CG1 ILE A 7 4.463 1.824 6.367 1.00 0.00 C ATOM 102 CG2 ILE A 7 4.934 0.212 4.513 1.00 0.00 C ATOM 103 CD1 ILE A 7 5.613 2.642 5.777 1.00 0.00 C ATOM 0 H ILE A 7 3.994 -0.533 8.395 1.00 0.00 H new ATOM 0 HA ILE A 7 2.486 -0.015 5.820 1.00 0.00 H new ATOM 0 HB ILE A 7 5.466 -0.082 6.573 1.00 0.00 H new ATOM 0 HG12 ILE A 7 3.511 2.190 5.983 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.438 1.946 7.450 1.00 0.00 H new ATOM 0 HG21 ILE A 7 5.852 0.749 4.276 1.00 0.00 H new ATOM 0 HG22 ILE A 7 5.053 -0.841 4.258 1.00 0.00 H new ATOM 0 HG23 ILE A 7 4.109 0.633 3.938 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.482 3.693 6.035 1.00 0.00 H new ATOM 0 HD12 ILE A 7 6.559 2.284 6.182 1.00 0.00 H new ATOM 0 HD13 ILE A 7 5.618 2.533 4.693 1.00 0.00 H new ATOM 115 N CYS A 8 2.878 -2.275 4.926 1.00 0.00 N ATOM 116 CA CYS A 8 2.974 -3.698 4.518 1.00 0.00 C ATOM 117 C CYS A 8 3.552 -3.765 3.112 1.00 0.00 C ATOM 118 O CYS A 8 2.938 -3.317 2.164 1.00 0.00 O ATOM 119 CB CYS A 8 1.542 -4.223 4.542 1.00 0.00 C ATOM 120 SG CYS A 8 1.571 -6.028 4.477 1.00 0.00 S ATOM 0 H CYS A 8 2.336 -1.677 4.302 1.00 0.00 H new ATOM 0 HA CYS A 8 3.617 -4.287 5.171 1.00 0.00 H new ATOM 0 HB2 CYS A 8 1.034 -3.888 5.446 1.00 0.00 H new ATOM 0 HB3 CYS A 8 0.982 -3.825 3.696 1.00 0.00 H new ATOM 0 HG CYS A 8 0.614 -6.504 5.217 1.00 0.00 H new ATOM 126 N ILE A 9 4.726 -4.298 2.955 1.00 0.00 N ATOM 127 CA ILE A 9 5.305 -4.354 1.591 1.00 0.00 C ATOM 128 C ILE A 9 5.214 -5.760 1.022 1.00 0.00 C ATOM 129 O ILE A 9 5.318 -6.744 1.728 1.00 0.00 O ATOM 130 CB ILE A 9 6.767 -3.936 1.749 1.00 0.00 C ATOM 131 CG1 ILE A 9 7.465 -3.984 0.387 1.00 0.00 C ATOM 132 CG2 ILE A 9 7.483 -4.896 2.700 1.00 0.00 C ATOM 133 CD1 ILE A 9 8.826 -3.295 0.502 1.00 0.00 C ATOM 0 H ILE A 9 5.302 -4.692 3.699 1.00 0.00 H new ATOM 0 HA ILE A 9 4.768 -3.702 0.902 1.00 0.00 H new ATOM 0 HB ILE A 9 6.802 -2.924 2.152 1.00 0.00 H new ATOM 0 HG12 ILE A 9 7.592 -5.018 0.065 1.00 0.00 H new ATOM 0 HG13 ILE A 9 6.854 -3.488 -0.367 1.00 0.00 H new ATOM 0 HG21 ILE A 9 8.524 -4.592 2.808 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.996 -4.874 3.675 1.00 0.00 H new ATOM 0 HG23 ILE A 9 7.440 -5.908 2.296 1.00 0.00 H new ATOM 0 HD11 ILE A 9 9.331 -3.324 -0.463 1.00 0.00 H new ATOM 0 HD12 ILE A 9 8.684 -2.258 0.806 1.00 0.00 H new ATOM 0 HD13 ILE A 9 9.434 -3.811 1.245 1.00 0.00 H new ATOM 145 N TRP A 10 5.049 -5.857 -0.264 1.00 0.00 N ATOM 146 CA TRP A 10 4.987 -7.198 -0.907 1.00 0.00 C ATOM 147 C TRP A 10 6.071 -7.274 -1.979 1.00 0.00 C ATOM 148 O TRP A 10 5.896 -6.805 -3.087 1.00 0.00 O ATOM 149 CB TRP A 10 3.603 -7.324 -1.539 1.00 0.00 C ATOM 150 CG TRP A 10 3.628 -8.504 -2.456 1.00 0.00 C ATOM 151 CD1 TRP A 10 4.417 -9.595 -2.292 1.00 0.00 C ATOM 152 CD2 TRP A 10 2.873 -8.725 -3.674 1.00 0.00 C ATOM 153 NE1 TRP A 10 4.207 -10.465 -3.346 1.00 0.00 N ATOM 154 CE2 TRP A 10 3.251 -9.978 -4.220 1.00 0.00 C ATOM 155 CE3 TRP A 10 1.903 -7.969 -4.351 1.00 0.00 C ATOM 156 CZ2 TRP A 10 2.687 -10.455 -5.404 1.00 0.00 C ATOM 157 CZ3 TRP A 10 1.331 -8.449 -5.539 1.00 0.00 C ATOM 158 CH2 TRP A 10 1.723 -9.690 -6.063 1.00 0.00 C ATOM 0 H TRP A 10 4.954 -5.065 -0.900 1.00 0.00 H new ATOM 0 HA TRP A 10 5.149 -8.003 -0.190 1.00 0.00 H new ATOM 0 HB2 TRP A 10 2.842 -7.453 -0.770 1.00 0.00 H new ATOM 0 HB3 TRP A 10 3.350 -6.418 -2.089 1.00 0.00 H new ATOM 0 HD1 TRP A 10 5.099 -9.758 -1.471 1.00 0.00 H new ATOM 0 HE1 TRP A 10 4.695 -11.353 -3.464 1.00 0.00 H new ATOM 0 HE3 TRP A 10 1.595 -7.012 -3.955 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 2.994 -11.409 -5.807 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 0.585 -7.860 -6.053 1.00 0.00 H new ATOM 0 HH2 TRP A 10 1.278 -10.054 -6.977 1.00 0.00 H new ATOM 169 N VAL A 11 7.193 -7.839 -1.652 1.00 0.00 N ATOM 170 CA VAL A 11 8.299 -7.921 -2.642 1.00 0.00 C ATOM 171 C VAL A 11 8.977 -9.293 -2.566 1.00 0.00 C ATOM 172 O VAL A 11 9.152 -9.853 -1.501 1.00 0.00 O ATOM 173 CB VAL A 11 9.240 -6.799 -2.213 1.00 0.00 C ATOM 174 CG1 VAL A 11 9.488 -6.907 -0.710 1.00 0.00 C ATOM 175 CG2 VAL A 11 10.563 -6.910 -2.965 1.00 0.00 C ATOM 0 H VAL A 11 7.395 -8.249 -0.740 1.00 0.00 H new ATOM 0 HA VAL A 11 7.972 -7.812 -3.676 1.00 0.00 H new ATOM 0 HB VAL A 11 8.787 -5.835 -2.444 1.00 0.00 H new ATOM 0 HG11 VAL A 11 10.160 -6.109 -0.394 1.00 0.00 H new ATOM 0 HG12 VAL A 11 8.541 -6.817 -0.178 1.00 0.00 H new ATOM 0 HG13 VAL A 11 9.940 -7.873 -0.484 1.00 0.00 H new ATOM 0 HG21 VAL A 11 11.228 -6.105 -2.652 1.00 0.00 H new ATOM 0 HG22 VAL A 11 11.028 -7.871 -2.744 1.00 0.00 H new ATOM 0 HG23 VAL A 11 10.380 -6.833 -4.037 1.00 0.00 H new ATOM 185 N GLU A 12 9.344 -9.848 -3.690 1.00 0.00 N ATOM 186 CA GLU A 12 9.991 -11.196 -3.687 1.00 0.00 C ATOM 187 C GLU A 12 11.519 -11.080 -3.755 1.00 0.00 C ATOM 188 O GLU A 12 12.231 -12.045 -3.555 1.00 0.00 O ATOM 189 CB GLU A 12 9.440 -11.893 -4.929 1.00 0.00 C ATOM 190 CG GLU A 12 8.130 -12.599 -4.578 1.00 0.00 C ATOM 191 CD GLU A 12 7.377 -12.940 -5.866 1.00 0.00 C ATOM 192 OE1 GLU A 12 7.533 -12.210 -6.831 1.00 0.00 O ATOM 193 OE2 GLU A 12 6.654 -13.922 -5.863 1.00 0.00 O ATOM 0 H GLU A 12 9.224 -9.427 -4.612 1.00 0.00 H new ATOM 0 HA GLU A 12 9.776 -11.750 -2.773 1.00 0.00 H new ATOM 0 HB2 GLU A 12 9.272 -11.165 -5.723 1.00 0.00 H new ATOM 0 HB3 GLU A 12 10.165 -12.615 -5.306 1.00 0.00 H new ATOM 0 HG2 GLU A 12 8.334 -13.507 -4.011 1.00 0.00 H new ATOM 0 HG3 GLU A 12 7.517 -11.958 -3.944 1.00 0.00 H new ATOM 200 N SER A 13 12.030 -9.912 -4.019 1.00 0.00 N ATOM 201 CA SER A 13 13.511 -9.748 -4.078 1.00 0.00 C ATOM 202 C SER A 13 13.989 -9.143 -2.763 1.00 0.00 C ATOM 203 O SER A 13 13.649 -8.025 -2.434 1.00 0.00 O ATOM 204 CB SER A 13 13.760 -8.773 -5.227 1.00 0.00 C ATOM 205 OG SER A 13 15.089 -8.938 -5.704 1.00 0.00 O ATOM 0 H SER A 13 11.490 -9.065 -4.196 1.00 0.00 H new ATOM 0 HA SER A 13 14.037 -10.690 -4.231 1.00 0.00 H new ATOM 0 HB2 SER A 13 13.048 -8.952 -6.032 1.00 0.00 H new ATOM 0 HB3 SER A 13 13.607 -7.748 -4.889 1.00 0.00 H new ATOM 0 HG SER A 13 15.251 -8.315 -6.443 1.00 0.00 H new ATOM 211 N THR A 14 14.756 -9.857 -1.993 1.00 0.00 N ATOM 212 CA THR A 14 15.203 -9.270 -0.707 1.00 0.00 C ATOM 213 C THR A 14 15.883 -7.922 -0.971 1.00 0.00 C ATOM 214 O THR A 14 15.734 -6.988 -0.210 1.00 0.00 O ATOM 215 CB THR A 14 16.165 -10.286 -0.092 1.00 0.00 C ATOM 216 OG1 THR A 14 15.626 -11.594 -0.234 1.00 0.00 O ATOM 217 CG2 THR A 14 16.337 -9.969 1.395 1.00 0.00 C ATOM 0 H THR A 14 15.086 -10.801 -2.193 1.00 0.00 H new ATOM 0 HA THR A 14 14.376 -9.076 -0.024 1.00 0.00 H new ATOM 0 HB THR A 14 17.129 -10.234 -0.597 1.00 0.00 H new ATOM 0 HG1 THR A 14 16.243 -12.246 0.159 1.00 0.00 H new ATOM 0 HG21 THR A 14 17.022 -10.689 1.844 1.00 0.00 H new ATOM 0 HG22 THR A 14 16.742 -8.963 1.508 1.00 0.00 H new ATOM 0 HG23 THR A 14 15.370 -10.029 1.894 1.00 0.00 H new ATOM 225 N ALA A 15 16.606 -7.800 -2.058 1.00 0.00 N ATOM 226 CA ALA A 15 17.262 -6.492 -2.370 1.00 0.00 C ATOM 227 C ALA A 15 16.195 -5.403 -2.450 1.00 0.00 C ATOM 228 O ALA A 15 16.307 -4.354 -1.846 1.00 0.00 O ATOM 229 CB ALA A 15 17.932 -6.683 -3.734 1.00 0.00 C ATOM 0 H ALA A 15 16.769 -8.543 -2.737 1.00 0.00 H new ATOM 0 HA ALA A 15 17.986 -6.197 -1.610 1.00 0.00 H new ATOM 0 HB1 ALA A 15 18.434 -5.760 -4.025 1.00 0.00 H new ATOM 0 HB2 ALA A 15 18.663 -7.489 -3.671 1.00 0.00 H new ATOM 0 HB3 ALA A 15 17.177 -6.936 -4.478 1.00 0.00 H new ATOM 235 N ILE A 16 15.140 -5.660 -3.175 1.00 0.00 N ATOM 236 CA ILE A 16 14.041 -4.664 -3.274 1.00 0.00 C ATOM 237 C ILE A 16 13.422 -4.487 -1.889 1.00 0.00 C ATOM 238 O ILE A 16 13.210 -3.385 -1.420 1.00 0.00 O ATOM 239 CB ILE A 16 13.043 -5.288 -4.246 1.00 0.00 C ATOM 240 CG1 ILE A 16 13.637 -5.277 -5.659 1.00 0.00 C ATOM 241 CG2 ILE A 16 11.738 -4.492 -4.226 1.00 0.00 C ATOM 242 CD1 ILE A 16 12.780 -6.143 -6.583 1.00 0.00 C ATOM 0 H ILE A 16 14.994 -6.520 -3.704 1.00 0.00 H new ATOM 0 HA ILE A 16 14.367 -3.682 -3.617 1.00 0.00 H new ATOM 0 HB ILE A 16 12.837 -6.316 -3.948 1.00 0.00 H new ATOM 0 HG12 ILE A 16 13.681 -4.256 -6.038 1.00 0.00 H new ATOM 0 HG13 ILE A 16 14.660 -5.653 -5.637 1.00 0.00 H new ATOM 0 HG21 ILE A 16 11.028 -4.940 -4.921 1.00 0.00 H new ATOM 0 HG22 ILE A 16 11.319 -4.506 -3.220 1.00 0.00 H new ATOM 0 HG23 ILE A 16 11.935 -3.462 -4.523 1.00 0.00 H new ATOM 0 HD11 ILE A 16 13.204 -6.134 -7.587 1.00 0.00 H new ATOM 0 HD12 ILE A 16 12.759 -7.166 -6.207 1.00 0.00 H new ATOM 0 HD13 ILE A 16 11.765 -5.747 -6.614 1.00 0.00 H new ATOM 254 N LEU A 17 13.158 -5.579 -1.220 1.00 0.00 N ATOM 255 CA LEU A 17 12.586 -5.500 0.152 1.00 0.00 C ATOM 256 C LEU A 17 13.546 -4.703 1.026 1.00 0.00 C ATOM 257 O LEU A 17 13.152 -3.801 1.744 1.00 0.00 O ATOM 258 CB LEU A 17 12.483 -6.964 0.612 1.00 0.00 C ATOM 259 CG LEU A 17 12.457 -7.080 2.146 1.00 0.00 C ATOM 260 CD1 LEU A 17 13.888 -7.149 2.674 1.00 0.00 C ATOM 261 CD2 LEU A 17 11.739 -5.883 2.778 1.00 0.00 C ATOM 0 H LEU A 17 13.315 -6.525 -1.568 1.00 0.00 H new ATOM 0 HA LEU A 17 11.615 -5.006 0.202 1.00 0.00 H new ATOM 0 HB2 LEU A 17 11.580 -7.412 0.198 1.00 0.00 H new ATOM 0 HB3 LEU A 17 13.328 -7.529 0.219 1.00 0.00 H new ATOM 0 HG LEU A 17 11.914 -7.987 2.413 1.00 0.00 H new ATOM 0 HD11 LEU A 17 13.871 -7.231 3.761 1.00 0.00 H new ATOM 0 HD12 LEU A 17 14.390 -8.020 2.252 1.00 0.00 H new ATOM 0 HD13 LEU A 17 14.426 -6.245 2.387 1.00 0.00 H new ATOM 0 HD21 LEU A 17 11.736 -5.992 3.863 1.00 0.00 H new ATOM 0 HD22 LEU A 17 12.257 -4.963 2.507 1.00 0.00 H new ATOM 0 HD23 LEU A 17 10.712 -5.841 2.415 1.00 0.00 H new ATOM 273 N GLN A 18 14.813 -5.008 0.949 1.00 0.00 N ATOM 274 CA GLN A 18 15.808 -4.251 1.753 1.00 0.00 C ATOM 275 C GLN A 18 15.853 -2.798 1.279 1.00 0.00 C ATOM 276 O GLN A 18 15.801 -1.873 2.067 1.00 0.00 O ATOM 277 CB GLN A 18 17.147 -4.943 1.481 1.00 0.00 C ATOM 278 CG GLN A 18 17.192 -6.300 2.191 1.00 0.00 C ATOM 279 CD GLN A 18 18.490 -7.019 1.819 1.00 0.00 C ATOM 280 OE1 GLN A 18 18.626 -7.518 0.721 1.00 0.00 O ATOM 281 NE2 GLN A 18 19.458 -7.089 2.693 1.00 0.00 N ATOM 0 H GLN A 18 15.200 -5.749 0.364 1.00 0.00 H new ATOM 0 HA GLN A 18 15.566 -4.240 2.816 1.00 0.00 H new ATOM 0 HB2 GLN A 18 17.283 -5.080 0.408 1.00 0.00 H new ATOM 0 HB3 GLN A 18 17.967 -4.315 1.828 1.00 0.00 H new ATOM 0 HG2 GLN A 18 17.136 -6.161 3.271 1.00 0.00 H new ATOM 0 HG3 GLN A 18 16.332 -6.904 1.902 1.00 0.00 H new ATOM 0 HE21 GLN A 18 19.343 -6.670 3.616 1.00 0.00 H new ATOM 0 HE22 GLN A 18 20.329 -7.563 2.453 1.00 0.00 H new ATOM 290 N ASP A 19 15.940 -2.588 -0.006 1.00 0.00 N ATOM 291 CA ASP A 19 15.972 -1.194 -0.524 1.00 0.00 C ATOM 292 C ASP A 19 14.661 -0.482 -0.171 1.00 0.00 C ATOM 293 O ASP A 19 14.655 0.664 0.252 1.00 0.00 O ATOM 294 CB ASP A 19 16.117 -1.328 -2.044 1.00 0.00 C ATOM 295 CG ASP A 19 17.518 -1.835 -2.400 1.00 0.00 C ATOM 296 OD1 ASP A 19 18.383 -1.791 -1.541 1.00 0.00 O ATOM 297 OD2 ASP A 19 17.700 -2.253 -3.532 1.00 0.00 O ATOM 0 H ASP A 19 15.990 -3.319 -0.716 1.00 0.00 H new ATOM 0 HA ASP A 19 16.786 -0.611 -0.094 1.00 0.00 H new ATOM 0 HB2 ASP A 19 15.365 -2.016 -2.429 1.00 0.00 H new ATOM 0 HB3 ASP A 19 15.940 -0.364 -2.520 1.00 0.00 H new ATOM 302 N CYS A 20 13.546 -1.151 -0.333 1.00 0.00 N ATOM 303 CA CYS A 20 12.241 -0.506 -0.006 1.00 0.00 C ATOM 304 C CYS A 20 12.129 -0.261 1.500 1.00 0.00 C ATOM 305 O CYS A 20 11.748 0.812 1.926 1.00 0.00 O ATOM 306 CB CYS A 20 11.159 -1.483 -0.477 1.00 0.00 C ATOM 307 SG CYS A 20 11.155 -1.562 -2.290 1.00 0.00 S ATOM 0 H CYS A 20 13.485 -2.110 -0.675 1.00 0.00 H new ATOM 0 HA CYS A 20 12.140 0.463 -0.494 1.00 0.00 H new ATOM 0 HB2 CYS A 20 11.343 -2.473 -0.060 1.00 0.00 H new ATOM 0 HB3 CYS A 20 10.182 -1.162 -0.115 1.00 0.00 H new ATOM 0 HG CYS A 20 12.092 -2.369 -2.691 1.00 0.00 H new ATOM 313 N GLN A 21 12.465 -1.224 2.322 1.00 0.00 N ATOM 314 CA GLN A 21 12.372 -0.981 3.786 1.00 0.00 C ATOM 315 C GLN A 21 13.506 -0.056 4.215 1.00 0.00 C ATOM 316 O GLN A 21 13.388 0.688 5.166 1.00 0.00 O ATOM 317 CB GLN A 21 12.502 -2.351 4.453 1.00 0.00 C ATOM 318 CG GLN A 21 11.272 -3.195 4.113 1.00 0.00 C ATOM 319 CD GLN A 21 11.160 -4.362 5.096 1.00 0.00 C ATOM 320 OE1 GLN A 21 10.075 -4.811 5.405 1.00 0.00 O ATOM 321 NE2 GLN A 21 12.247 -4.872 5.606 1.00 0.00 N ATOM 0 H GLN A 21 12.793 -2.149 2.046 1.00 0.00 H new ATOM 0 HA GLN A 21 11.433 -0.504 4.067 1.00 0.00 H new ATOM 0 HB2 GLN A 21 13.407 -2.851 4.110 1.00 0.00 H new ATOM 0 HB3 GLN A 21 12.592 -2.236 5.533 1.00 0.00 H new ATOM 0 HG2 GLN A 21 10.373 -2.580 4.159 1.00 0.00 H new ATOM 0 HG3 GLN A 21 11.348 -3.572 3.093 1.00 0.00 H new ATOM 0 HE21 GLN A 21 13.158 -4.494 5.346 1.00 0.00 H new ATOM 0 HE22 GLN A 21 12.186 -5.648 6.265 1.00 0.00 H new ATOM 330 N ARG A 22 14.609 -0.082 3.516 1.00 0.00 N ATOM 331 CA ARG A 22 15.727 0.818 3.901 1.00 0.00 C ATOM 332 C ARG A 22 15.225 2.258 3.936 1.00 0.00 C ATOM 333 O ARG A 22 15.353 2.944 4.930 1.00 0.00 O ATOM 334 CB ARG A 22 16.783 0.637 2.817 1.00 0.00 C ATOM 335 CG ARG A 22 17.823 -0.371 3.303 1.00 0.00 C ATOM 336 CD ARG A 22 18.335 -1.193 2.123 1.00 0.00 C ATOM 337 NE ARG A 22 19.809 -1.268 2.309 1.00 0.00 N ATOM 338 CZ ARG A 22 20.324 -2.101 3.172 1.00 0.00 C ATOM 339 NH1 ARG A 22 19.547 -2.842 3.918 1.00 0.00 N ATOM 340 NH2 ARG A 22 21.620 -2.191 3.290 1.00 0.00 N ATOM 0 H ARG A 22 14.781 -0.679 2.707 1.00 0.00 H new ATOM 0 HA ARG A 22 16.131 0.589 4.887 1.00 0.00 H new ATOM 0 HB2 ARG A 22 16.320 0.286 1.895 1.00 0.00 H new ATOM 0 HB3 ARG A 22 17.259 1.591 2.592 1.00 0.00 H new ATOM 0 HG2 ARG A 22 18.652 0.150 3.782 1.00 0.00 H new ATOM 0 HG3 ARG A 22 17.383 -1.029 4.053 1.00 0.00 H new ATOM 0 HD2 ARG A 22 17.888 -2.187 2.113 1.00 0.00 H new ATOM 0 HD3 ARG A 22 18.082 -0.720 1.174 1.00 0.00 H new ATOM 0 HE ARG A 22 20.421 -0.665 1.759 1.00 0.00 H new ATOM 0 HH11 ARG A 22 18.534 -2.771 3.827 1.00 0.00 H new ATOM 0 HH12 ARG A 22 19.954 -3.491 4.591 1.00 0.00 H new ATOM 0 HH21 ARG A 22 22.226 -1.612 2.709 1.00 0.00 H new ATOM 0 HH22 ARG A 22 22.027 -2.840 3.963 1.00 0.00 H new ATOM 354 N ALA A 23 14.623 2.716 2.872 1.00 0.00 N ATOM 355 CA ALA A 23 14.091 4.107 2.877 1.00 0.00 C ATOM 356 C ALA A 23 13.067 4.237 4.007 1.00 0.00 C ATOM 357 O ALA A 23 13.134 5.132 4.826 1.00 0.00 O ATOM 358 CB ALA A 23 13.417 4.276 1.517 1.00 0.00 C ATOM 0 H ALA A 23 14.478 2.193 2.008 1.00 0.00 H new ATOM 0 HA ALA A 23 14.861 4.862 3.036 1.00 0.00 H new ATOM 0 HB1 ALA A 23 12.998 5.279 1.441 1.00 0.00 H new ATOM 0 HB2 ALA A 23 14.152 4.129 0.726 1.00 0.00 H new ATOM 0 HB3 ALA A 23 12.619 3.540 1.412 1.00 0.00 H new ATOM 364 N LEU A 24 12.134 3.324 4.065 1.00 0.00 N ATOM 365 CA LEU A 24 11.120 3.354 5.146 1.00 0.00 C ATOM 366 C LEU A 24 11.713 2.717 6.405 1.00 0.00 C ATOM 367 O LEU A 24 11.259 1.693 6.873 1.00 0.00 O ATOM 368 CB LEU A 24 9.962 2.523 4.602 1.00 0.00 C ATOM 369 CG LEU A 24 9.425 3.182 3.331 1.00 0.00 C ATOM 370 CD1 LEU A 24 8.297 2.337 2.752 1.00 0.00 C ATOM 371 CD2 LEU A 24 8.882 4.565 3.669 1.00 0.00 C ATOM 0 H LEU A 24 12.035 2.555 3.402 1.00 0.00 H new ATOM 0 HA LEU A 24 10.800 4.360 5.416 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.296 1.508 4.387 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.171 2.446 5.348 1.00 0.00 H new ATOM 0 HG LEU A 24 10.232 3.266 2.603 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.917 2.809 1.846 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.674 1.343 2.512 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.493 2.254 3.483 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.499 5.037 2.764 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.077 4.472 4.398 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.681 5.178 4.087 1.00 0.00 H new ATOM 383 N SER A 25 12.733 3.327 6.946 1.00 0.00 N ATOM 384 CA SER A 25 13.385 2.785 8.172 1.00 0.00 C ATOM 385 C SER A 25 13.044 3.670 9.374 1.00 0.00 C ATOM 386 O SER A 25 13.378 3.365 10.501 1.00 0.00 O ATOM 387 CB SER A 25 14.883 2.841 7.873 1.00 0.00 C ATOM 388 OG SER A 25 15.251 1.706 7.096 1.00 0.00 O ATOM 0 H SER A 25 13.146 4.187 6.586 1.00 0.00 H new ATOM 0 HA SER A 25 13.055 1.775 8.413 1.00 0.00 H new ATOM 0 HB2 SER A 25 15.124 3.758 7.335 1.00 0.00 H new ATOM 0 HB3 SER A 25 15.451 2.859 8.803 1.00 0.00 H new ATOM 0 HG SER A 25 15.795 1.994 6.333 1.00 0.00 H new ATOM 394 N ALA A 26 12.384 4.766 9.128 1.00 0.00 N ATOM 395 CA ALA A 26 12.005 5.698 10.229 1.00 0.00 C ATOM 396 C ALA A 26 11.620 4.924 11.493 1.00 0.00 C ATOM 397 O ALA A 26 10.852 3.984 11.453 1.00 0.00 O ATOM 398 CB ALA A 26 10.797 6.459 9.688 1.00 0.00 C ATOM 0 H ALA A 26 12.086 5.061 8.198 1.00 0.00 H new ATOM 0 HA ALA A 26 12.827 6.357 10.508 1.00 0.00 H new ATOM 0 HB1 ALA A 26 10.450 7.171 10.437 1.00 0.00 H new ATOM 0 HB2 ALA A 26 11.080 6.995 8.782 1.00 0.00 H new ATOM 0 HB3 ALA A 26 9.997 5.755 9.458 1.00 0.00 H new ATOM 404 N ASP A 27 12.154 5.326 12.612 1.00 0.00 N ATOM 405 CA ASP A 27 11.839 4.633 13.888 1.00 0.00 C ATOM 406 C ASP A 27 10.334 4.387 14.021 1.00 0.00 C ATOM 407 O ASP A 27 9.906 3.522 14.759 1.00 0.00 O ATOM 408 CB ASP A 27 12.321 5.593 14.985 1.00 0.00 C ATOM 409 CG ASP A 27 12.556 4.821 16.284 1.00 0.00 C ATOM 410 OD1 ASP A 27 12.714 3.614 16.213 1.00 0.00 O ATOM 411 OD2 ASP A 27 12.579 5.452 17.329 1.00 0.00 O ATOM 0 H ASP A 27 12.800 6.111 12.696 1.00 0.00 H new ATOM 0 HA ASP A 27 12.319 3.656 13.948 1.00 0.00 H new ATOM 0 HB2 ASP A 27 13.242 6.084 14.672 1.00 0.00 H new ATOM 0 HB3 ASP A 27 11.581 6.377 15.146 1.00 0.00 H new ATOM 416 N ARG A 28 9.522 5.139 13.327 1.00 0.00 N ATOM 417 CA ARG A 28 8.053 4.928 13.446 1.00 0.00 C ATOM 418 C ARG A 28 7.519 4.112 12.272 1.00 0.00 C ATOM 419 O ARG A 28 6.390 4.272 11.867 1.00 0.00 O ATOM 420 CB ARG A 28 7.433 6.326 13.443 1.00 0.00 C ATOM 421 CG ARG A 28 7.714 7.005 12.107 1.00 0.00 C ATOM 422 CD ARG A 28 6.952 8.328 12.044 1.00 0.00 C ATOM 423 NE ARG A 28 7.614 9.094 10.950 1.00 0.00 N ATOM 424 CZ ARG A 28 7.519 10.397 10.903 1.00 0.00 C ATOM 425 NH1 ARG A 28 6.850 11.044 11.822 1.00 0.00 N ATOM 426 NH2 ARG A 28 8.098 11.058 9.937 1.00 0.00 N ATOM 0 H ARG A 28 9.809 5.882 12.690 1.00 0.00 H new ATOM 0 HA ARG A 28 7.807 4.373 14.352 1.00 0.00 H new ATOM 0 HB2 ARG A 28 6.358 6.259 13.610 1.00 0.00 H new ATOM 0 HB3 ARG A 28 7.845 6.920 14.259 1.00 0.00 H new ATOM 0 HG2 ARG A 28 8.784 7.182 11.994 1.00 0.00 H new ATOM 0 HG3 ARG A 28 7.409 6.357 11.285 1.00 0.00 H new ATOM 0 HD2 ARG A 28 5.895 8.167 11.831 1.00 0.00 H new ATOM 0 HD3 ARG A 28 7.008 8.863 12.992 1.00 0.00 H new ATOM 0 HE ARG A 28 8.144 8.598 10.234 1.00 0.00 H new ATOM 0 HH11 ARG A 28 6.399 10.532 12.580 1.00 0.00 H new ATOM 0 HH12 ARG A 28 6.779 12.061 11.780 1.00 0.00 H new ATOM 0 HH21 ARG A 28 8.624 10.558 9.220 1.00 0.00 H new ATOM 0 HH22 ARG A 28 8.025 12.075 9.899 1.00 0.00 H new ATOM 440 N TYR A 29 8.304 3.230 11.719 1.00 0.00 N ATOM 441 CA TYR A 29 7.783 2.412 10.585 1.00 0.00 C ATOM 442 C TYR A 29 7.634 0.955 11.004 1.00 0.00 C ATOM 443 O TYR A 29 8.530 0.354 11.562 1.00 0.00 O ATOM 444 CB TYR A 29 8.793 2.534 9.443 1.00 0.00 C ATOM 445 CG TYR A 29 8.410 3.697 8.561 1.00 0.00 C ATOM 446 CD1 TYR A 29 7.067 3.931 8.239 1.00 0.00 C ATOM 447 CD2 TYR A 29 9.399 4.552 8.081 1.00 0.00 C ATOM 448 CE1 TYR A 29 6.722 5.024 7.438 1.00 0.00 C ATOM 449 CE2 TYR A 29 9.056 5.645 7.283 1.00 0.00 C ATOM 450 CZ TYR A 29 7.715 5.884 6.960 1.00 0.00 C ATOM 451 OH TYR A 29 7.374 6.971 6.180 1.00 0.00 O ATOM 0 H TYR A 29 9.267 3.041 11.996 1.00 0.00 H new ATOM 0 HA TYR A 29 6.800 2.766 10.274 1.00 0.00 H new ATOM 0 HB2 TYR A 29 9.796 2.681 9.843 1.00 0.00 H new ATOM 0 HB3 TYR A 29 8.814 1.613 8.861 1.00 0.00 H new ATOM 0 HD1 TYR A 29 6.299 3.268 8.609 1.00 0.00 H new ATOM 0 HD2 TYR A 29 10.435 4.369 8.327 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.687 5.204 7.188 1.00 0.00 H new ATOM 0 HE2 TYR A 29 9.826 6.307 6.915 1.00 0.00 H new ATOM 0 HH TYR A 29 8.184 7.464 5.934 1.00 0.00 H new ATOM 461 N GLN A 30 6.502 0.386 10.712 1.00 0.00 N ATOM 462 CA GLN A 30 6.261 -1.042 11.052 1.00 0.00 C ATOM 463 C GLN A 30 5.965 -1.779 9.754 1.00 0.00 C ATOM 464 O GLN A 30 4.834 -2.093 9.444 1.00 0.00 O ATOM 465 CB GLN A 30 5.037 -1.033 11.969 1.00 0.00 C ATOM 466 CG GLN A 30 4.841 -2.413 12.601 1.00 0.00 C ATOM 467 CD GLN A 30 3.529 -2.426 13.397 1.00 0.00 C ATOM 468 OE1 GLN A 30 2.963 -1.294 13.725 1.00 0.00 O flip ATOM 469 NE2 GLN A 30 3.016 -3.477 13.724 1.00 0.00 N flip ATOM 0 H GLN A 30 5.724 0.854 10.247 1.00 0.00 H new ATOM 0 HA GLN A 30 7.105 -1.530 11.540 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.163 -0.282 12.749 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.149 -0.756 11.400 1.00 0.00 H new ATOM 0 HG2 GLN A 30 4.817 -3.180 11.827 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.680 -2.648 13.257 1.00 0.00 H new ATOM 0 HE21 GLN A 30 3.457 -4.361 13.469 1.00 0.00 H new ATOM 0 HE22 GLN A 30 2.144 -3.476 14.254 1.00 0.00 H new ATOM 478 N LEU A 31 6.976 -2.017 8.972 1.00 0.00 N ATOM 479 CA LEU A 31 6.767 -2.689 7.666 1.00 0.00 C ATOM 480 C LEU A 31 6.517 -4.182 7.844 1.00 0.00 C ATOM 481 O LEU A 31 7.293 -4.875 8.466 1.00 0.00 O ATOM 482 CB LEU A 31 8.068 -2.475 6.911 1.00 0.00 C ATOM 483 CG LEU A 31 8.480 -1.011 7.036 1.00 0.00 C ATOM 484 CD1 LEU A 31 9.722 -0.912 7.919 1.00 0.00 C ATOM 485 CD2 LEU A 31 8.782 -0.452 5.646 1.00 0.00 C ATOM 0 H LEU A 31 7.944 -1.773 9.183 1.00 0.00 H new ATOM 0 HA LEU A 31 5.898 -2.287 7.145 1.00 0.00 H new ATOM 0 HB2 LEU A 31 8.848 -3.121 7.314 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.943 -2.743 5.862 1.00 0.00 H new ATOM 0 HG LEU A 31 7.672 -0.434 7.487 1.00 0.00 H new ATOM 0 HD11 LEU A 31 10.020 0.132 8.011 1.00 0.00 H new ATOM 0 HD12 LEU A 31 9.499 -1.314 8.907 1.00 0.00 H new ATOM 0 HD13 LEU A 31 10.534 -1.483 7.470 1.00 0.00 H new ATOM 0 HD21 LEU A 31 9.077 0.594 5.731 1.00 0.00 H new ATOM 0 HD22 LEU A 31 9.593 -1.022 5.193 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.892 -0.529 5.022 1.00 0.00 H new ATOM 497 N GLN A 32 5.467 -4.696 7.269 1.00 0.00 N ATOM 498 CA GLN A 32 5.227 -6.155 7.380 1.00 0.00 C ATOM 499 C GLN A 32 5.633 -6.793 6.052 1.00 0.00 C ATOM 500 O GLN A 32 5.028 -6.548 5.025 1.00 0.00 O ATOM 501 CB GLN A 32 3.729 -6.328 7.646 1.00 0.00 C ATOM 502 CG GLN A 32 3.466 -7.766 8.112 1.00 0.00 C ATOM 503 CD GLN A 32 4.123 -8.002 9.476 1.00 0.00 C ATOM 504 OE1 GLN A 32 3.572 -7.646 10.499 1.00 0.00 O ATOM 505 NE2 GLN A 32 5.290 -8.589 9.533 1.00 0.00 N ATOM 0 H GLN A 32 4.773 -4.174 6.733 1.00 0.00 H new ATOM 0 HA GLN A 32 5.799 -6.626 8.180 1.00 0.00 H new ATOM 0 HB2 GLN A 32 3.397 -5.620 8.405 1.00 0.00 H new ATOM 0 HB3 GLN A 32 3.159 -6.115 6.741 1.00 0.00 H new ATOM 0 HG2 GLN A 32 2.393 -7.945 8.180 1.00 0.00 H new ATOM 0 HG3 GLN A 32 3.861 -8.472 7.382 1.00 0.00 H new ATOM 0 HE21 GLN A 32 5.753 -8.888 8.675 1.00 0.00 H new ATOM 0 HE22 GLN A 32 5.737 -8.748 10.436 1.00 0.00 H new ATOM 514 N VAL A 33 6.673 -7.577 6.052 1.00 0.00 N ATOM 515 CA VAL A 33 7.141 -8.191 4.776 1.00 0.00 C ATOM 516 C VAL A 33 6.341 -9.438 4.431 1.00 0.00 C ATOM 517 O VAL A 33 6.242 -10.365 5.209 1.00 0.00 O ATOM 518 CB VAL A 33 8.597 -8.571 5.027 1.00 0.00 C ATOM 519 CG1 VAL A 33 9.191 -9.158 3.746 1.00 0.00 C ATOM 520 CG2 VAL A 33 9.381 -7.329 5.438 1.00 0.00 C ATOM 0 H VAL A 33 7.220 -7.820 6.878 1.00 0.00 H new ATOM 0 HA VAL A 33 7.020 -7.500 3.942 1.00 0.00 H new ATOM 0 HB VAL A 33 8.654 -9.311 5.825 1.00 0.00 H new ATOM 0 HG11 VAL A 33 10.232 -9.431 3.920 1.00 0.00 H new ATOM 0 HG12 VAL A 33 8.627 -10.044 3.456 1.00 0.00 H new ATOM 0 HG13 VAL A 33 9.139 -8.417 2.948 1.00 0.00 H new ATOM 0 HG21 VAL A 33 10.422 -7.599 5.618 1.00 0.00 H new ATOM 0 HG22 VAL A 33 9.331 -6.587 4.641 1.00 0.00 H new ATOM 0 HG23 VAL A 33 8.951 -6.913 6.349 1.00 0.00 H new ATOM 530 N CYS A 34 5.794 -9.481 3.252 1.00 0.00 N ATOM 531 CA CYS A 34 5.032 -10.687 2.841 1.00 0.00 C ATOM 532 C CYS A 34 5.782 -11.399 1.715 1.00 0.00 C ATOM 533 O CYS A 34 5.995 -10.852 0.650 1.00 0.00 O ATOM 534 CB CYS A 34 3.679 -10.164 2.365 1.00 0.00 C ATOM 535 SG CYS A 34 2.954 -9.131 3.665 1.00 0.00 S ATOM 0 H CYS A 34 5.841 -8.736 2.557 1.00 0.00 H new ATOM 0 HA CYS A 34 4.909 -11.409 3.649 1.00 0.00 H new ATOM 0 HB2 CYS A 34 3.800 -9.586 1.449 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.015 -10.996 2.131 1.00 0.00 H new ATOM 0 HG CYS A 34 2.604 -7.984 3.163 1.00 0.00 H new ATOM 541 N GLU A 35 6.200 -12.610 1.950 1.00 0.00 N ATOM 542 CA GLU A 35 6.949 -13.360 0.906 1.00 0.00 C ATOM 543 C GLU A 35 6.101 -13.521 -0.355 1.00 0.00 C ATOM 544 O GLU A 35 6.608 -13.530 -1.458 1.00 0.00 O ATOM 545 CB GLU A 35 7.262 -14.714 1.540 1.00 0.00 C ATOM 546 CG GLU A 35 8.416 -14.549 2.532 1.00 0.00 C ATOM 547 CD GLU A 35 8.953 -15.926 2.937 1.00 0.00 C ATOM 548 OE1 GLU A 35 8.201 -16.687 3.525 1.00 0.00 O ATOM 549 OE2 GLU A 35 10.110 -16.194 2.656 1.00 0.00 O ATOM 0 H GLU A 35 6.054 -13.115 2.824 1.00 0.00 H new ATOM 0 HA GLU A 35 7.856 -12.842 0.596 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.381 -15.103 2.050 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.529 -15.437 0.769 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.212 -13.956 2.082 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.075 -14.008 3.414 1.00 0.00 H new ATOM 556 N SER A 36 4.814 -13.645 -0.204 1.00 0.00 N ATOM 557 CA SER A 36 3.941 -13.797 -1.397 1.00 0.00 C ATOM 558 C SER A 36 2.918 -12.657 -1.432 1.00 0.00 C ATOM 559 O SER A 36 2.997 -11.720 -0.664 1.00 0.00 O ATOM 560 CB SER A 36 3.251 -15.148 -1.209 1.00 0.00 C ATOM 561 OG SER A 36 4.012 -15.937 -0.302 1.00 0.00 O ATOM 0 H SER A 36 4.329 -13.648 0.694 1.00 0.00 H new ATOM 0 HA SER A 36 4.494 -13.758 -2.336 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.241 -15.004 -0.826 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.159 -15.660 -2.167 1.00 0.00 H new ATOM 0 HG SER A 36 3.851 -15.629 0.614 1.00 0.00 H new ATOM 567 N GLY A 37 1.948 -12.732 -2.299 1.00 0.00 N ATOM 568 CA GLY A 37 0.924 -11.656 -2.350 1.00 0.00 C ATOM 569 C GLY A 37 -0.269 -12.143 -1.554 1.00 0.00 C ATOM 570 O GLY A 37 -0.967 -11.389 -0.907 1.00 0.00 O ATOM 0 H GLY A 37 1.821 -13.489 -2.971 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.316 -10.730 -1.930 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.639 -11.443 -3.380 1.00 0.00 H new ATOM 574 N GLU A 38 -0.468 -13.429 -1.570 1.00 0.00 N ATOM 575 CA GLU A 38 -1.568 -14.035 -0.799 1.00 0.00 C ATOM 576 C GLU A 38 -1.288 -13.781 0.671 1.00 0.00 C ATOM 577 O GLU A 38 -2.165 -13.445 1.442 1.00 0.00 O ATOM 578 CB GLU A 38 -1.468 -15.518 -1.138 1.00 0.00 C ATOM 579 CG GLU A 38 -2.322 -15.817 -2.371 1.00 0.00 C ATOM 580 CD GLU A 38 -2.612 -17.318 -2.444 1.00 0.00 C ATOM 581 OE1 GLU A 38 -1.663 -18.081 -2.498 1.00 0.00 O ATOM 582 OE2 GLU A 38 -3.778 -17.676 -2.447 1.00 0.00 O ATOM 0 H GLU A 38 0.100 -14.092 -2.097 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.560 -13.642 -1.021 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.429 -15.790 -1.327 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.806 -16.119 -0.294 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.256 -15.258 -2.323 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.803 -15.493 -3.273 1.00 0.00 H new ATOM 589 N MET A 39 -0.046 -13.905 1.047 1.00 0.00 N ATOM 590 CA MET A 39 0.332 -13.630 2.450 1.00 0.00 C ATOM 591 C MET A 39 0.021 -12.163 2.760 1.00 0.00 C ATOM 592 O MET A 39 -0.441 -11.817 3.831 1.00 0.00 O ATOM 593 CB MET A 39 1.839 -13.895 2.520 1.00 0.00 C ATOM 594 CG MET A 39 2.112 -15.397 2.399 1.00 0.00 C ATOM 595 SD MET A 39 3.819 -15.736 2.897 1.00 0.00 S ATOM 596 CE MET A 39 3.621 -17.514 3.168 1.00 0.00 C ATOM 0 H MET A 39 0.722 -14.186 0.437 1.00 0.00 H new ATOM 0 HA MET A 39 -0.208 -14.245 3.170 1.00 0.00 H new ATOM 0 HB2 MET A 39 2.349 -13.359 1.720 1.00 0.00 H new ATOM 0 HB3 MET A 39 2.240 -13.519 3.461 1.00 0.00 H new ATOM 0 HG2 MET A 39 1.419 -15.956 3.028 1.00 0.00 H new ATOM 0 HG3 MET A 39 1.948 -15.727 1.373 1.00 0.00 H new ATOM 0 HE1 MET A 39 4.571 -17.941 3.488 1.00 0.00 H new ATOM 0 HE2 MET A 39 2.869 -17.683 3.939 1.00 0.00 H new ATOM 0 HE3 MET A 39 3.303 -17.990 2.240 1.00 0.00 H new ATOM 606 N LEU A 40 0.259 -11.302 1.802 1.00 0.00 N ATOM 607 CA LEU A 40 -0.028 -9.853 1.994 1.00 0.00 C ATOM 608 C LEU A 40 -1.524 -9.667 2.249 1.00 0.00 C ATOM 609 O LEU A 40 -1.927 -8.979 3.167 1.00 0.00 O ATOM 610 CB LEU A 40 0.416 -9.197 0.672 1.00 0.00 C ATOM 611 CG LEU A 40 -0.470 -7.988 0.318 1.00 0.00 C ATOM 612 CD1 LEU A 40 -0.500 -6.993 1.479 1.00 0.00 C ATOM 613 CD2 LEU A 40 0.102 -7.294 -0.923 1.00 0.00 C ATOM 0 H LEU A 40 0.643 -11.546 0.889 1.00 0.00 H new ATOM 0 HA LEU A 40 0.489 -9.411 2.846 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.455 -8.877 0.754 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.371 -9.931 -0.133 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.484 -8.336 0.122 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.130 -6.144 1.214 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.903 -7.481 2.366 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.512 -6.644 1.685 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.520 -6.437 -1.180 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.117 -6.956 -0.715 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.116 -7.995 -1.758 1.00 0.00 H new ATOM 625 N LEU A 41 -2.346 -10.279 1.446 1.00 0.00 N ATOM 626 CA LEU A 41 -3.813 -10.143 1.639 1.00 0.00 C ATOM 627 C LEU A 41 -4.197 -10.530 3.061 1.00 0.00 C ATOM 628 O LEU A 41 -5.028 -9.898 3.684 1.00 0.00 O ATOM 629 CB LEU A 41 -4.422 -11.115 0.634 1.00 0.00 C ATOM 630 CG LEU A 41 -4.143 -10.604 -0.774 1.00 0.00 C ATOM 631 CD1 LEU A 41 -4.547 -11.661 -1.803 1.00 0.00 C ATOM 632 CD2 LEU A 41 -4.954 -9.333 -1.002 1.00 0.00 C ATOM 0 H LEU A 41 -2.064 -10.869 0.663 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.162 -9.121 1.488 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.997 -12.110 0.766 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.496 -11.203 0.798 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.079 -10.394 -0.885 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.344 -11.288 -2.807 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.974 -12.573 -1.632 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.611 -11.877 -1.704 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.764 -8.956 -2.007 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.016 -9.554 -0.892 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.663 -8.579 -0.270 1.00 0.00 H new ATOM 644 N GLU A 42 -3.596 -11.557 3.587 1.00 0.00 N ATOM 645 CA GLU A 42 -3.935 -11.973 4.976 1.00 0.00 C ATOM 646 C GLU A 42 -3.636 -10.825 5.938 1.00 0.00 C ATOM 647 O GLU A 42 -4.443 -10.480 6.777 1.00 0.00 O ATOM 648 CB GLU A 42 -3.030 -13.165 5.272 1.00 0.00 C ATOM 649 CG GLU A 42 -3.613 -13.969 6.435 1.00 0.00 C ATOM 650 CD GLU A 42 -2.678 -15.129 6.775 1.00 0.00 C ATOM 651 OE1 GLU A 42 -1.694 -15.295 6.072 1.00 0.00 O ATOM 652 OE2 GLU A 42 -2.963 -15.831 7.731 1.00 0.00 O ATOM 0 H GLU A 42 -2.889 -12.124 3.120 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.988 -12.232 5.089 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.941 -13.796 4.388 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.026 -12.821 5.521 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.743 -13.326 7.306 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.599 -14.349 6.169 1.00 0.00 H new ATOM 659 N TYR A 43 -2.491 -10.214 5.812 1.00 0.00 N ATOM 660 CA TYR A 43 -2.175 -9.079 6.721 1.00 0.00 C ATOM 661 C TYR A 43 -3.222 -7.981 6.541 1.00 0.00 C ATOM 662 O TYR A 43 -3.715 -7.414 7.493 1.00 0.00 O ATOM 663 CB TYR A 43 -0.795 -8.573 6.298 1.00 0.00 C ATOM 664 CG TYR A 43 -0.540 -7.234 6.947 1.00 0.00 C ATOM 665 CD1 TYR A 43 -0.941 -6.054 6.304 1.00 0.00 C ATOM 666 CD2 TYR A 43 0.092 -7.172 8.193 1.00 0.00 C ATOM 667 CE1 TYR A 43 -0.704 -4.812 6.909 1.00 0.00 C ATOM 668 CE2 TYR A 43 0.328 -5.934 8.796 1.00 0.00 C ATOM 669 CZ TYR A 43 -0.070 -4.753 8.158 1.00 0.00 C ATOM 670 OH TYR A 43 0.168 -3.534 8.759 1.00 0.00 O ATOM 0 H TYR A 43 -1.770 -10.447 5.129 1.00 0.00 H new ATOM 0 HA TYR A 43 -2.180 -9.378 7.769 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.026 -9.287 6.593 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -0.744 -8.481 5.213 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -1.432 -6.102 5.343 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.398 -8.081 8.689 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -1.009 -3.902 6.414 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.819 -5.888 9.757 1.00 0.00 H new ATOM 0 HH TYR A 43 0.614 -3.675 9.620 1.00 0.00 H new ATOM 680 N ALA A 44 -3.564 -7.681 5.319 1.00 0.00 N ATOM 681 CA ALA A 44 -4.580 -6.625 5.067 1.00 0.00 C ATOM 682 C ALA A 44 -5.994 -7.170 5.319 1.00 0.00 C ATOM 683 O ALA A 44 -6.947 -6.422 5.428 1.00 0.00 O ATOM 684 CB ALA A 44 -4.391 -6.247 3.598 1.00 0.00 C ATOM 0 H ALA A 44 -3.182 -8.123 4.483 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.461 -5.765 5.727 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.105 -5.469 3.328 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.377 -5.878 3.445 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.556 -7.124 2.972 1.00 0.00 H new ATOM 690 N GLN A 45 -6.139 -8.466 5.421 1.00 0.00 N ATOM 691 CA GLN A 45 -7.489 -9.054 5.678 1.00 0.00 C ATOM 692 C GLN A 45 -7.863 -8.893 7.148 1.00 0.00 C ATOM 693 O GLN A 45 -8.993 -9.117 7.543 1.00 0.00 O ATOM 694 CB GLN A 45 -7.350 -10.537 5.336 1.00 0.00 C ATOM 695 CG GLN A 45 -7.659 -10.741 3.861 1.00 0.00 C ATOM 696 CD GLN A 45 -7.209 -12.135 3.422 1.00 0.00 C ATOM 697 OE1 GLN A 45 -6.939 -12.984 4.251 1.00 0.00 O ATOM 698 NE2 GLN A 45 -7.110 -12.410 2.147 1.00 0.00 N ATOM 0 H GLN A 45 -5.381 -9.143 5.337 1.00 0.00 H new ATOM 0 HA GLN A 45 -8.265 -8.565 5.089 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -6.340 -10.881 5.559 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -8.031 -11.129 5.948 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -8.728 -10.622 3.685 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -7.152 -9.982 3.266 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -7.336 -11.698 1.453 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -6.806 -13.336 1.847 1.00 0.00 H new ATOM 707 N THR A 46 -6.925 -8.511 7.965 1.00 0.00 N ATOM 708 CA THR A 46 -7.228 -8.341 9.411 1.00 0.00 C ATOM 709 C THR A 46 -6.775 -6.949 9.855 1.00 0.00 C ATOM 710 O THR A 46 -6.886 -6.576 11.005 1.00 0.00 O ATOM 711 CB THR A 46 -6.432 -9.449 10.116 1.00 0.00 C ATOM 712 OG1 THR A 46 -5.090 -9.022 10.300 1.00 0.00 O ATOM 713 CG2 THR A 46 -6.462 -10.723 9.256 1.00 0.00 C ATOM 0 H THR A 46 -5.962 -8.309 7.695 1.00 0.00 H new ATOM 0 HA THR A 46 -8.290 -8.418 9.644 1.00 0.00 H new ATOM 0 HB THR A 46 -6.877 -9.661 11.088 1.00 0.00 H new ATOM 0 HG1 THR A 46 -5.060 -8.322 10.986 1.00 0.00 H new ATOM 0 HG21 THR A 46 -5.898 -11.511 9.754 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.494 -11.046 9.120 1.00 0.00 H new ATOM 0 HG23 THR A 46 -6.015 -10.516 8.283 1.00 0.00 H new ATOM 721 N HIS A 47 -6.277 -6.175 8.930 1.00 0.00 N ATOM 722 CA HIS A 47 -5.823 -4.796 9.251 1.00 0.00 C ATOM 723 C HIS A 47 -5.840 -3.967 7.968 1.00 0.00 C ATOM 724 O HIS A 47 -4.854 -3.877 7.274 1.00 0.00 O ATOM 725 CB HIS A 47 -4.398 -4.962 9.783 1.00 0.00 C ATOM 726 CG HIS A 47 -4.463 -5.553 11.162 1.00 0.00 C ATOM 727 ND1 HIS A 47 -4.032 -6.749 11.672 1.00 0.00 N flip ATOM 728 CD2 HIS A 47 -5.061 -4.884 12.217 1.00 0.00 C flip ATOM 729 CE1 HIS A 47 -4.359 -6.828 13.023 1.00 0.00 C flip ATOM 730 NE2 HIS A 47 -4.978 -5.677 13.299 1.00 0.00 N flip ATOM 0 H HIS A 47 -6.165 -6.445 7.953 1.00 0.00 H new ATOM 0 HA HIS A 47 -6.455 -4.289 9.979 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -3.821 -5.609 9.122 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -3.890 -3.998 9.809 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -5.512 -3.903 12.177 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -4.156 -7.644 13.701 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -5.343 -5.430 14.219 1.00 0.00 H new ATOM 738 N ARG A 48 -6.966 -3.398 7.622 1.00 0.00 N ATOM 739 CA ARG A 48 -7.034 -2.611 6.351 1.00 0.00 C ATOM 740 C ARG A 48 -6.810 -1.128 6.629 1.00 0.00 C ATOM 741 O ARG A 48 -5.917 -0.505 6.090 1.00 0.00 O ATOM 742 CB ARG A 48 -8.460 -2.810 5.816 1.00 0.00 C ATOM 743 CG ARG A 48 -9.025 -4.158 6.280 1.00 0.00 C ATOM 744 CD ARG A 48 -10.183 -4.575 5.370 1.00 0.00 C ATOM 745 NE ARG A 48 -11.267 -5.015 6.297 1.00 0.00 N ATOM 746 CZ ARG A 48 -11.309 -6.246 6.746 1.00 0.00 C ATOM 747 NH1 ARG A 48 -10.381 -7.107 6.419 1.00 0.00 N ATOM 748 NH2 ARG A 48 -12.286 -6.614 7.532 1.00 0.00 N ATOM 0 H ARG A 48 -7.833 -3.442 8.157 1.00 0.00 H new ATOM 0 HA ARG A 48 -6.272 -2.939 5.644 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -9.102 -2.001 6.165 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -8.455 -2.767 4.727 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -8.243 -4.917 6.260 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -9.370 -4.083 7.311 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -10.512 -3.745 4.745 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -9.887 -5.381 4.699 1.00 0.00 H new ATOM 0 HE ARG A 48 -11.984 -4.349 6.585 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -9.614 -6.823 5.809 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -10.424 -8.062 6.774 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -13.010 -5.945 7.793 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -12.324 -7.570 7.885 1.00 0.00 H new ATOM 762 N ASP A 49 -7.624 -0.567 7.468 1.00 0.00 N ATOM 763 CA ASP A 49 -7.490 0.880 7.799 1.00 0.00 C ATOM 764 C ASP A 49 -6.315 1.099 8.757 1.00 0.00 C ATOM 765 O ASP A 49 -5.645 2.112 8.714 1.00 0.00 O ATOM 766 CB ASP A 49 -8.821 1.242 8.452 1.00 0.00 C ATOM 767 CG ASP A 49 -9.849 1.536 7.357 1.00 0.00 C ATOM 768 OD1 ASP A 49 -9.458 2.070 6.333 1.00 0.00 O ATOM 769 OD2 ASP A 49 -11.009 1.219 7.560 1.00 0.00 O ATOM 0 H ASP A 49 -8.385 -1.049 7.946 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.285 1.500 6.926 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -9.166 0.423 9.082 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -8.699 2.112 9.098 1.00 0.00 H new ATOM 774 N GLN A 50 -6.053 0.146 9.607 1.00 0.00 N ATOM 775 CA GLN A 50 -4.914 0.281 10.560 1.00 0.00 C ATOM 776 C GLN A 50 -3.598 0.428 9.789 1.00 0.00 C ATOM 777 O GLN A 50 -2.632 0.969 10.294 1.00 0.00 O ATOM 778 CB GLN A 50 -4.924 -1.011 11.378 1.00 0.00 C ATOM 779 CG GLN A 50 -6.246 -1.123 12.145 1.00 0.00 C ATOM 780 CD GLN A 50 -6.426 0.110 13.035 1.00 0.00 C ATOM 781 OE1 GLN A 50 -5.486 0.562 13.660 1.00 0.00 O ATOM 782 NE2 GLN A 50 -7.602 0.674 13.121 1.00 0.00 N ATOM 0 H GLN A 50 -6.580 -0.724 9.684 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.007 1.161 11.197 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -4.800 -1.871 10.720 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -4.086 -1.019 12.075 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -7.078 -1.205 11.446 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.250 -2.028 12.753 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -8.390 0.294 12.596 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -7.732 1.494 13.713 1.00 0.00 H new ATOM 791 N ILE A 51 -3.552 -0.040 8.572 1.00 0.00 N ATOM 792 CA ILE A 51 -2.295 0.087 7.781 1.00 0.00 C ATOM 793 C ILE A 51 -2.036 1.559 7.460 1.00 0.00 C ATOM 794 O ILE A 51 -2.951 2.322 7.215 1.00 0.00 O ATOM 795 CB ILE A 51 -2.544 -0.691 6.490 1.00 0.00 C ATOM 796 CG1 ILE A 51 -3.153 -2.057 6.806 1.00 0.00 C ATOM 797 CG2 ILE A 51 -1.223 -0.885 5.744 1.00 0.00 C ATOM 798 CD1 ILE A 51 -2.461 -2.684 8.021 1.00 0.00 C ATOM 0 H ILE A 51 -4.325 -0.502 8.093 1.00 0.00 H new ATOM 0 HA ILE A 51 -1.430 -0.294 8.323 1.00 0.00 H new ATOM 0 HB ILE A 51 -3.238 -0.126 5.867 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -4.220 -1.950 7.003 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -3.053 -2.715 5.943 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.403 -1.440 4.823 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -0.795 0.088 5.503 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.528 -1.441 6.373 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.907 -3.656 8.232 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -1.399 -2.810 7.810 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -2.584 -2.033 8.886 1.00 0.00 H new ATOM 810 N ASP A 52 -0.805 1.967 7.458 1.00 0.00 N ATOM 811 CA ASP A 52 -0.500 3.388 7.156 1.00 0.00 C ATOM 812 C ASP A 52 0.148 3.520 5.778 1.00 0.00 C ATOM 813 O ASP A 52 0.257 4.605 5.241 1.00 0.00 O ATOM 814 CB ASP A 52 0.466 3.805 8.252 1.00 0.00 C ATOM 815 CG ASP A 52 -0.311 3.984 9.555 1.00 0.00 C ATOM 816 OD1 ASP A 52 -0.596 2.985 10.193 1.00 0.00 O ATOM 817 OD2 ASP A 52 -0.619 5.116 9.887 1.00 0.00 O ATOM 0 H ASP A 52 0.005 1.379 7.652 1.00 0.00 H new ATOM 0 HA ASP A 52 -1.394 4.012 7.132 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.243 3.051 8.377 1.00 0.00 H new ATOM 0 HB3 ASP A 52 0.966 4.735 7.980 1.00 0.00 H new ATOM 822 N CYS A 53 0.574 2.435 5.192 1.00 0.00 N ATOM 823 CA CYS A 53 1.197 2.538 3.846 1.00 0.00 C ATOM 824 C CYS A 53 1.586 1.155 3.311 1.00 0.00 C ATOM 825 O CYS A 53 2.485 0.520 3.819 1.00 0.00 O ATOM 826 CB CYS A 53 2.439 3.406 4.058 1.00 0.00 C ATOM 827 SG CYS A 53 2.301 4.908 3.057 1.00 0.00 S ATOM 0 H CYS A 53 0.518 1.494 5.582 1.00 0.00 H new ATOM 0 HA CYS A 53 0.514 2.965 3.112 1.00 0.00 H new ATOM 0 HB2 CYS A 53 2.539 3.666 5.112 1.00 0.00 H new ATOM 0 HB3 CYS A 53 3.335 2.852 3.780 1.00 0.00 H new ATOM 0 HG CYS A 53 1.310 5.629 3.491 1.00 0.00 H new ATOM 833 N LEU A 54 0.934 0.681 2.282 1.00 0.00 N ATOM 834 CA LEU A 54 1.312 -0.655 1.737 1.00 0.00 C ATOM 835 C LEU A 54 2.267 -0.474 0.563 1.00 0.00 C ATOM 836 O LEU A 54 2.091 0.407 -0.255 1.00 0.00 O ATOM 837 CB LEU A 54 0.008 -1.284 1.263 1.00 0.00 C ATOM 838 CG LEU A 54 0.232 -2.768 0.972 1.00 0.00 C ATOM 839 CD1 LEU A 54 -1.115 -3.488 0.918 1.00 0.00 C ATOM 840 CD2 LEU A 54 0.943 -2.914 -0.372 1.00 0.00 C ATOM 0 H LEU A 54 0.168 1.153 1.802 1.00 0.00 H new ATOM 0 HA LEU A 54 1.812 -1.278 2.479 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.763 -1.164 2.024 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.348 -0.777 0.366 1.00 0.00 H new ATOM 0 HG LEU A 54 0.844 -3.207 1.760 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.954 -4.546 0.710 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.624 -3.379 1.876 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.729 -3.053 0.129 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.105 -3.971 -0.585 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.328 -2.476 -1.158 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.903 -2.400 -0.333 1.00 0.00 H new ATOM 852 N ILE A 55 3.279 -1.290 0.459 1.00 0.00 N ATOM 853 CA ILE A 55 4.219 -1.128 -0.681 1.00 0.00 C ATOM 854 C ILE A 55 3.968 -2.204 -1.727 1.00 0.00 C ATOM 855 O ILE A 55 3.675 -3.342 -1.412 1.00 0.00 O ATOM 856 CB ILE A 55 5.615 -1.271 -0.105 1.00 0.00 C ATOM 857 CG1 ILE A 55 5.837 -0.227 0.985 1.00 0.00 C ATOM 858 CG2 ILE A 55 6.619 -1.057 -1.234 1.00 0.00 C ATOM 859 CD1 ILE A 55 7.123 -0.568 1.733 1.00 0.00 C ATOM 0 H ILE A 55 3.493 -2.051 1.104 1.00 0.00 H new ATOM 0 HA ILE A 55 4.089 -0.162 -1.168 1.00 0.00 H new ATOM 0 HB ILE A 55 5.741 -2.262 0.332 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.907 0.768 0.546 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.992 -0.213 1.673 1.00 0.00 H new ATOM 0 HG21 ILE A 55 7.632 -1.155 -0.844 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.456 -1.803 -2.012 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.487 -0.060 -1.654 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.295 0.170 2.516 1.00 0.00 H new ATOM 0 HD12 ILE A 55 7.032 -1.558 2.181 1.00 0.00 H new ATOM 0 HD13 ILE A 55 7.962 -0.561 1.037 1.00 0.00 H new ATOM 871 N LEU A 56 4.072 -1.854 -2.974 1.00 0.00 N ATOM 872 CA LEU A 56 3.830 -2.856 -4.041 1.00 0.00 C ATOM 873 C LEU A 56 4.809 -2.682 -5.191 1.00 0.00 C ATOM 874 O LEU A 56 5.305 -1.604 -5.452 1.00 0.00 O ATOM 875 CB LEU A 56 2.419 -2.571 -4.516 1.00 0.00 C ATOM 876 CG LEU A 56 1.431 -3.034 -3.454 1.00 0.00 C ATOM 877 CD1 LEU A 56 0.011 -2.735 -3.925 1.00 0.00 C ATOM 878 CD2 LEU A 56 1.599 -4.538 -3.219 1.00 0.00 C ATOM 0 H LEU A 56 4.314 -0.918 -3.300 1.00 0.00 H new ATOM 0 HA LEU A 56 3.959 -3.875 -3.676 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.295 -1.505 -4.706 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.228 -3.087 -5.457 1.00 0.00 H new ATOM 0 HG LEU A 56 1.620 -2.506 -2.519 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.700 -3.065 -3.168 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.101 -1.663 -4.086 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.182 -3.264 -4.859 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.891 -4.869 -2.459 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.410 -5.075 -4.149 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.615 -4.742 -2.882 1.00 0.00 H new ATOM 890 N VAL A 57 5.075 -3.742 -5.888 1.00 0.00 N ATOM 891 CA VAL A 57 6.011 -3.663 -7.035 1.00 0.00 C ATOM 892 C VAL A 57 5.273 -4.038 -8.329 1.00 0.00 C ATOM 893 O VAL A 57 4.739 -5.123 -8.448 1.00 0.00 O ATOM 894 CB VAL A 57 7.096 -4.681 -6.702 1.00 0.00 C ATOM 895 CG1 VAL A 57 8.184 -4.637 -7.772 1.00 0.00 C ATOM 896 CG2 VAL A 57 7.705 -4.347 -5.334 1.00 0.00 C ATOM 0 H VAL A 57 4.682 -4.667 -5.712 1.00 0.00 H new ATOM 0 HA VAL A 57 6.424 -2.666 -7.190 1.00 0.00 H new ATOM 0 HB VAL A 57 6.661 -5.680 -6.672 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.959 -5.365 -7.533 1.00 0.00 H new ATOM 0 HG12 VAL A 57 7.749 -4.875 -8.743 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.621 -3.639 -7.805 1.00 0.00 H new ATOM 0 HG21 VAL A 57 8.481 -5.074 -5.094 1.00 0.00 H new ATOM 0 HG22 VAL A 57 8.140 -3.348 -5.364 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.927 -4.382 -4.571 1.00 0.00 H new ATOM 906 N ALA A 58 5.233 -3.158 -9.295 1.00 0.00 N ATOM 907 CA ALA A 58 4.520 -3.486 -10.569 1.00 0.00 C ATOM 908 C ALA A 58 5.328 -4.502 -11.376 1.00 0.00 C ATOM 909 O ALA A 58 4.809 -5.169 -12.249 1.00 0.00 O ATOM 910 CB ALA A 58 4.407 -2.168 -11.334 1.00 0.00 C ATOM 0 H ALA A 58 5.659 -2.232 -9.260 1.00 0.00 H new ATOM 0 HA ALA A 58 3.540 -3.925 -10.383 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.893 -2.339 -12.280 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.843 -1.449 -10.739 1.00 0.00 H new ATOM 0 HB3 ALA A 58 5.404 -1.774 -11.529 1.00 0.00 H new ATOM 916 N ALA A 59 6.593 -4.630 -11.085 1.00 0.00 N ATOM 917 CA ALA A 59 7.430 -5.608 -11.833 1.00 0.00 C ATOM 918 C ALA A 59 6.837 -7.017 -11.696 1.00 0.00 C ATOM 919 O ALA A 59 7.218 -7.928 -12.402 1.00 0.00 O ATOM 920 CB ALA A 59 8.814 -5.530 -11.184 1.00 0.00 C ATOM 0 H ALA A 59 7.082 -4.101 -10.363 1.00 0.00 H new ATOM 0 HA ALA A 59 7.477 -5.387 -12.899 1.00 0.00 H new ATOM 0 HB1 ALA A 59 9.489 -6.225 -11.683 1.00 0.00 H new ATOM 0 HB2 ALA A 59 9.203 -4.516 -11.277 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.737 -5.793 -10.129 1.00 0.00 H new ATOM 926 N ASN A 60 5.899 -7.202 -10.797 1.00 0.00 N ATOM 927 CA ASN A 60 5.279 -8.551 -10.633 1.00 0.00 C ATOM 928 C ASN A 60 4.131 -8.728 -11.634 1.00 0.00 C ATOM 929 O ASN A 60 3.426 -7.788 -11.941 1.00 0.00 O ATOM 930 CB ASN A 60 4.758 -8.573 -9.197 1.00 0.00 C ATOM 931 CG ASN A 60 5.843 -9.127 -8.276 1.00 0.00 C ATOM 932 OD1 ASN A 60 6.292 -8.453 -7.369 1.00 0.00 O ATOM 933 ND2 ASN A 60 6.288 -10.338 -8.472 1.00 0.00 N ATOM 0 H ASN A 60 5.539 -6.479 -10.174 1.00 0.00 H new ATOM 0 HA ASN A 60 5.985 -9.360 -10.819 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.478 -7.567 -8.884 1.00 0.00 H new ATOM 0 HB3 ASN A 60 3.861 -9.189 -9.133 1.00 0.00 H new ATOM 0 HD21 ASN A 60 7.013 -10.720 -7.864 1.00 0.00 H new ATOM 0 HD22 ASN A 60 5.911 -10.903 -9.233 1.00 0.00 H new ATOM 940 N PRO A 61 3.990 -9.932 -12.121 1.00 0.00 N ATOM 941 CA PRO A 61 2.928 -10.232 -13.113 1.00 0.00 C ATOM 942 C PRO A 61 1.539 -10.265 -12.459 1.00 0.00 C ATOM 943 O PRO A 61 0.682 -9.459 -12.769 1.00 0.00 O ATOM 944 CB PRO A 61 3.327 -11.601 -13.658 1.00 0.00 C ATOM 945 CG PRO A 61 4.155 -12.230 -12.580 1.00 0.00 C ATOM 946 CD PRO A 61 4.798 -11.113 -11.796 1.00 0.00 C ATOM 0 HA PRO A 61 2.851 -9.475 -13.893 1.00 0.00 H new ATOM 0 HB2 PRO A 61 2.449 -12.206 -13.883 1.00 0.00 H new ATOM 0 HB3 PRO A 61 3.894 -11.506 -14.584 1.00 0.00 H new ATOM 0 HG2 PRO A 61 3.535 -12.847 -11.930 1.00 0.00 H new ATOM 0 HG3 PRO A 61 4.914 -12.883 -13.011 1.00 0.00 H new ATOM 0 HD2 PRO A 61 4.787 -11.320 -10.726 1.00 0.00 H new ATOM 0 HD3 PRO A 61 5.840 -10.974 -12.083 1.00 0.00 H new ATOM 954 N SER A 62 1.303 -11.182 -11.565 1.00 0.00 N ATOM 955 CA SER A 62 -0.039 -11.251 -10.909 1.00 0.00 C ATOM 956 C SER A 62 -0.216 -10.100 -9.913 1.00 0.00 C ATOM 957 O SER A 62 -1.236 -9.986 -9.263 1.00 0.00 O ATOM 958 CB SER A 62 -0.070 -12.593 -10.176 1.00 0.00 C ATOM 959 OG SER A 62 0.199 -13.641 -11.095 1.00 0.00 O ATOM 0 H SER A 62 1.975 -11.885 -11.258 1.00 0.00 H new ATOM 0 HA SER A 62 -0.844 -11.166 -11.639 1.00 0.00 H new ATOM 0 HB2 SER A 62 0.669 -12.599 -9.375 1.00 0.00 H new ATOM 0 HB3 SER A 62 -1.045 -12.743 -9.712 1.00 0.00 H new ATOM 0 HG SER A 62 0.181 -14.501 -10.625 1.00 0.00 H new ATOM 965 N PHE A 63 0.766 -9.249 -9.783 1.00 0.00 N ATOM 966 CA PHE A 63 0.648 -8.117 -8.820 1.00 0.00 C ATOM 967 C PHE A 63 -0.725 -7.449 -8.954 1.00 0.00 C ATOM 968 O PHE A 63 -1.442 -7.286 -7.985 1.00 0.00 O ATOM 969 CB PHE A 63 1.772 -7.161 -9.218 1.00 0.00 C ATOM 970 CG PHE A 63 1.448 -5.764 -8.751 1.00 0.00 C ATOM 971 CD1 PHE A 63 1.218 -5.503 -7.396 1.00 0.00 C ATOM 972 CD2 PHE A 63 1.371 -4.732 -9.682 1.00 0.00 C ATOM 973 CE1 PHE A 63 0.910 -4.206 -6.982 1.00 0.00 C ATOM 974 CE2 PHE A 63 1.064 -3.437 -9.270 1.00 0.00 C ATOM 975 CZ PHE A 63 0.833 -3.171 -7.918 1.00 0.00 C ATOM 0 H PHE A 63 1.644 -9.289 -10.301 1.00 0.00 H new ATOM 0 HA PHE A 63 0.733 -8.433 -7.780 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.714 -7.491 -8.780 1.00 0.00 H new ATOM 0 HB3 PHE A 63 1.903 -7.171 -10.300 1.00 0.00 H new ATOM 0 HD1 PHE A 63 1.279 -6.303 -6.672 1.00 0.00 H new ATOM 0 HD2 PHE A 63 1.550 -4.936 -10.727 1.00 0.00 H new ATOM 0 HE1 PHE A 63 0.731 -4.002 -5.937 1.00 0.00 H new ATOM 0 HE2 PHE A 63 1.005 -2.639 -9.995 1.00 0.00 H new ATOM 0 HZ PHE A 63 0.595 -2.168 -7.597 1.00 0.00 H new ATOM 985 N ARG A 64 -1.106 -7.074 -10.138 1.00 0.00 N ATOM 986 CA ARG A 64 -2.441 -6.440 -10.303 1.00 0.00 C ATOM 987 C ARG A 64 -3.498 -7.391 -9.738 1.00 0.00 C ATOM 988 O ARG A 64 -4.437 -6.986 -9.080 1.00 0.00 O ATOM 989 CB ARG A 64 -2.608 -6.235 -11.809 1.00 0.00 C ATOM 990 CG ARG A 64 -2.022 -4.873 -12.198 1.00 0.00 C ATOM 991 CD ARG A 64 -0.513 -4.996 -12.428 1.00 0.00 C ATOM 992 NE ARG A 64 -0.311 -4.621 -13.857 1.00 0.00 N ATOM 993 CZ ARG A 64 -0.391 -5.517 -14.810 1.00 0.00 C ATOM 994 NH1 ARG A 64 -0.617 -6.776 -14.535 1.00 0.00 N ATOM 995 NH2 ARG A 64 -0.233 -5.147 -16.051 1.00 0.00 N ATOM 0 H ARG A 64 -0.558 -7.177 -10.992 1.00 0.00 H new ATOM 0 HA ARG A 64 -2.543 -5.490 -9.778 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -2.103 -7.032 -12.355 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -3.663 -6.282 -12.080 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -2.507 -4.505 -13.102 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -2.220 -4.145 -11.411 1.00 0.00 H new ATOM 0 HD2 ARG A 64 0.043 -4.335 -11.764 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -0.165 -6.010 -12.233 1.00 0.00 H new ATOM 0 HE ARG A 64 -0.107 -3.651 -14.097 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -0.734 -7.073 -13.566 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -0.676 -7.460 -15.289 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -0.049 -4.168 -16.272 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -0.293 -5.836 -16.800 1.00 0.00 H new ATOM 1009 N ALA A 65 -3.329 -8.664 -9.969 1.00 0.00 N ATOM 1010 CA ALA A 65 -4.291 -9.662 -9.423 1.00 0.00 C ATOM 1011 C ALA A 65 -4.301 -9.573 -7.898 1.00 0.00 C ATOM 1012 O ALA A 65 -5.338 -9.560 -7.263 1.00 0.00 O ATOM 1013 CB ALA A 65 -3.737 -11.013 -9.879 1.00 0.00 C ATOM 0 H ALA A 65 -2.562 -9.057 -10.515 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.314 -9.504 -9.764 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.386 -11.812 -9.520 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.696 -11.041 -10.968 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.734 -11.150 -9.474 1.00 0.00 H new ATOM 1019 N VAL A 66 -3.146 -9.502 -7.306 1.00 0.00 N ATOM 1020 CA VAL A 66 -3.069 -9.397 -5.826 1.00 0.00 C ATOM 1021 C VAL A 66 -3.640 -8.047 -5.375 1.00 0.00 C ATOM 1022 O VAL A 66 -4.339 -7.955 -4.383 1.00 0.00 O ATOM 1023 CB VAL A 66 -1.576 -9.498 -5.515 1.00 0.00 C ATOM 1024 CG1 VAL A 66 -1.330 -9.182 -4.044 1.00 0.00 C ATOM 1025 CG2 VAL A 66 -1.085 -10.916 -5.823 1.00 0.00 C ATOM 0 H VAL A 66 -2.246 -9.512 -7.786 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.642 -10.167 -5.309 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.032 -8.781 -6.131 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.264 -9.256 -3.829 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.675 -8.171 -3.826 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.875 -9.893 -3.423 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.020 -10.989 -5.601 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.633 -11.632 -5.210 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.252 -11.138 -6.877 1.00 0.00 H new ATOM 1035 N VAL A 67 -3.355 -6.997 -6.100 1.00 0.00 N ATOM 1036 CA VAL A 67 -3.893 -5.665 -5.705 1.00 0.00 C ATOM 1037 C VAL A 67 -5.416 -5.670 -5.806 1.00 0.00 C ATOM 1038 O VAL A 67 -6.099 -5.100 -4.982 1.00 0.00 O ATOM 1039 CB VAL A 67 -3.305 -4.662 -6.686 1.00 0.00 C ATOM 1040 CG1 VAL A 67 -3.744 -3.256 -6.271 1.00 0.00 C ATOM 1041 CG2 VAL A 67 -1.780 -4.758 -6.652 1.00 0.00 C ATOM 0 H VAL A 67 -2.778 -7.005 -6.941 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.630 -5.414 -4.677 1.00 0.00 H new ATOM 0 HB VAL A 67 -3.654 -4.874 -7.697 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.330 -2.526 -6.966 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -4.832 -3.195 -6.287 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.383 -3.044 -5.264 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.355 -4.041 -7.354 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -1.424 -4.536 -5.646 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.473 -5.766 -6.932 1.00 0.00 H new ATOM 1051 N GLN A 68 -5.959 -6.312 -6.809 1.00 0.00 N ATOM 1052 CA GLN A 68 -7.439 -6.339 -6.926 1.00 0.00 C ATOM 1053 C GLN A 68 -8.017 -7.039 -5.692 1.00 0.00 C ATOM 1054 O GLN A 68 -9.050 -6.659 -5.181 1.00 0.00 O ATOM 1055 CB GLN A 68 -7.735 -7.102 -8.230 1.00 0.00 C ATOM 1056 CG GLN A 68 -8.008 -8.582 -7.944 1.00 0.00 C ATOM 1057 CD GLN A 68 -7.901 -9.392 -9.241 1.00 0.00 C ATOM 1058 OE1 GLN A 68 -7.491 -10.534 -9.219 1.00 0.00 O ATOM 1059 NE2 GLN A 68 -8.260 -8.850 -10.373 1.00 0.00 N ATOM 0 H GLN A 68 -5.448 -6.809 -7.538 1.00 0.00 H new ATOM 0 HA GLN A 68 -7.892 -5.348 -6.966 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.597 -6.658 -8.729 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -6.889 -7.009 -8.911 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -7.294 -8.957 -7.211 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.002 -8.701 -7.512 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -8.605 -7.890 -10.392 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -8.196 -9.386 -11.238 1.00 0.00 H new ATOM 1068 N GLN A 69 -7.345 -8.050 -5.192 1.00 0.00 N ATOM 1069 CA GLN A 69 -7.861 -8.739 -3.977 1.00 0.00 C ATOM 1070 C GLN A 69 -7.978 -7.727 -2.842 1.00 0.00 C ATOM 1071 O GLN A 69 -9.009 -7.606 -2.208 1.00 0.00 O ATOM 1072 CB GLN A 69 -6.826 -9.806 -3.627 1.00 0.00 C ATOM 1073 CG GLN A 69 -7.491 -10.880 -2.764 1.00 0.00 C ATOM 1074 CD GLN A 69 -8.643 -11.511 -3.546 1.00 0.00 C ATOM 1075 OE1 GLN A 69 -8.429 -12.117 -4.576 1.00 0.00 O ATOM 1076 NE2 GLN A 69 -9.863 -11.391 -3.100 1.00 0.00 N ATOM 0 H GLN A 69 -6.473 -8.420 -5.570 1.00 0.00 H new ATOM 0 HA GLN A 69 -8.843 -9.182 -4.140 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -6.421 -10.251 -4.536 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -5.989 -9.358 -3.092 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -6.763 -11.643 -2.487 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -7.862 -10.441 -1.838 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -10.042 -10.882 -2.235 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -10.638 -11.807 -3.617 1.00 0.00 H new ATOM 1085 N LEU A 70 -6.938 -6.973 -2.594 1.00 0.00 N ATOM 1086 CA LEU A 70 -7.031 -5.957 -1.514 1.00 0.00 C ATOM 1087 C LEU A 70 -8.300 -5.143 -1.737 1.00 0.00 C ATOM 1088 O LEU A 70 -9.173 -5.092 -0.895 1.00 0.00 O ATOM 1089 CB LEU A 70 -5.789 -5.076 -1.667 1.00 0.00 C ATOM 1090 CG LEU A 70 -4.650 -5.643 -0.819 1.00 0.00 C ATOM 1091 CD1 LEU A 70 -3.391 -5.767 -1.676 1.00 0.00 C ATOM 1092 CD2 LEU A 70 -4.378 -4.702 0.358 1.00 0.00 C ATOM 0 H LEU A 70 -6.045 -7.018 -3.085 1.00 0.00 H new ATOM 0 HA LEU A 70 -7.074 -6.394 -0.516 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.489 -5.032 -2.714 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -6.014 -4.056 -1.356 1.00 0.00 H new ATOM 0 HG LEU A 70 -4.929 -6.627 -0.442 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -2.578 -6.171 -1.072 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -3.586 -6.435 -2.515 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.109 -4.784 -2.053 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -3.566 -5.103 0.965 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.097 -3.719 -0.020 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.277 -4.613 0.968 1.00 0.00 H new ATOM 1104 N CYS A 71 -8.421 -4.526 -2.882 1.00 0.00 N ATOM 1105 CA CYS A 71 -9.648 -3.735 -3.170 1.00 0.00 C ATOM 1106 C CYS A 71 -10.875 -4.649 -3.147 1.00 0.00 C ATOM 1107 O CYS A 71 -11.938 -4.262 -2.705 1.00 0.00 O ATOM 1108 CB CYS A 71 -9.449 -3.161 -4.572 1.00 0.00 C ATOM 1109 SG CYS A 71 -7.981 -2.109 -4.606 1.00 0.00 S ATOM 0 H CYS A 71 -7.724 -4.536 -3.627 1.00 0.00 H new ATOM 0 HA CYS A 71 -9.807 -2.950 -2.431 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -9.343 -3.971 -5.294 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -10.326 -2.585 -4.866 1.00 0.00 H new ATOM 0 HG CYS A 71 -7.048 -2.643 -3.875 1.00 0.00 H new ATOM 1115 N PHE A 72 -10.743 -5.859 -3.624 1.00 0.00 N ATOM 1116 CA PHE A 72 -11.914 -6.780 -3.624 1.00 0.00 C ATOM 1117 C PHE A 72 -12.380 -7.017 -2.188 1.00 0.00 C ATOM 1118 O PHE A 72 -13.559 -7.008 -1.893 1.00 0.00 O ATOM 1119 CB PHE A 72 -11.418 -8.080 -4.255 1.00 0.00 C ATOM 1120 CG PHE A 72 -12.561 -9.063 -4.303 1.00 0.00 C ATOM 1121 CD1 PHE A 72 -13.049 -9.621 -3.116 1.00 0.00 C ATOM 1122 CD2 PHE A 72 -13.139 -9.409 -5.528 1.00 0.00 C ATOM 1123 CE1 PHE A 72 -14.117 -10.526 -3.156 1.00 0.00 C ATOM 1124 CE2 PHE A 72 -14.207 -10.314 -5.568 1.00 0.00 C ATOM 1125 CZ PHE A 72 -14.696 -10.872 -4.382 1.00 0.00 C ATOM 0 H PHE A 72 -9.882 -6.246 -4.010 1.00 0.00 H new ATOM 0 HA PHE A 72 -12.760 -6.373 -4.177 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -11.040 -7.892 -5.260 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -10.591 -8.490 -3.675 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -12.602 -9.354 -2.170 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -12.762 -8.978 -6.444 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -14.494 -10.957 -2.240 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -14.653 -10.581 -6.515 1.00 0.00 H new ATOM 0 HZ PHE A 72 -15.520 -11.569 -4.413 1.00 0.00 H new ATOM 1135 N GLU A 73 -11.455 -7.219 -1.295 1.00 0.00 N ATOM 1136 CA GLU A 73 -11.818 -7.447 0.131 1.00 0.00 C ATOM 1137 C GLU A 73 -12.176 -6.112 0.793 1.00 0.00 C ATOM 1138 O GLU A 73 -12.585 -6.061 1.936 1.00 0.00 O ATOM 1139 CB GLU A 73 -10.558 -8.040 0.758 1.00 0.00 C ATOM 1140 CG GLU A 73 -10.175 -9.327 0.024 1.00 0.00 C ATOM 1141 CD GLU A 73 -11.254 -10.390 0.244 1.00 0.00 C ATOM 1142 OE1 GLU A 73 -11.325 -10.916 1.342 1.00 0.00 O ATOM 1143 OE2 GLU A 73 -11.987 -10.666 -0.690 1.00 0.00 O ATOM 0 H GLU A 73 -10.454 -7.236 -1.492 1.00 0.00 H new ATOM 0 HA GLU A 73 -12.680 -8.103 0.250 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -9.740 -7.322 0.704 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -10.729 -8.249 1.814 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -10.059 -9.128 -1.041 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -9.214 -9.691 0.387 1.00 0.00 H new ATOM 1150 N GLY A 74 -12.022 -5.028 0.075 1.00 0.00 N ATOM 1151 CA GLY A 74 -12.349 -3.692 0.645 1.00 0.00 C ATOM 1152 C GLY A 74 -11.127 -3.117 1.369 1.00 0.00 C ATOM 1153 O GLY A 74 -11.239 -2.187 2.143 1.00 0.00 O ATOM 0 H GLY A 74 -11.682 -5.014 -0.886 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -12.663 -3.015 -0.150 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -13.185 -3.778 1.339 1.00 0.00 H new ATOM 1157 N VAL A 75 -9.961 -3.655 1.125 1.00 0.00 N ATOM 1158 CA VAL A 75 -8.751 -3.119 1.805 1.00 0.00 C ATOM 1159 C VAL A 75 -8.112 -2.024 0.950 1.00 0.00 C ATOM 1160 O VAL A 75 -7.392 -2.301 0.012 1.00 0.00 O ATOM 1161 CB VAL A 75 -7.801 -4.313 1.935 1.00 0.00 C ATOM 1162 CG1 VAL A 75 -6.538 -3.881 2.680 1.00 0.00 C ATOM 1163 CG2 VAL A 75 -8.485 -5.436 2.718 1.00 0.00 C ATOM 0 H VAL A 75 -9.797 -4.436 0.489 1.00 0.00 H new ATOM 0 HA VAL A 75 -8.985 -2.678 2.774 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.538 -4.671 0.939 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.862 -4.731 2.773 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -6.044 -3.083 2.126 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -6.807 -3.521 3.673 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.805 -6.283 2.808 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -8.751 -5.077 3.712 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -9.387 -5.749 2.192 1.00 0.00 H new ATOM 1173 N VAL A 76 -8.353 -0.782 1.273 1.00 0.00 N ATOM 1174 CA VAL A 76 -7.740 0.326 0.486 1.00 0.00 C ATOM 1175 C VAL A 76 -6.830 1.134 1.407 1.00 0.00 C ATOM 1176 O VAL A 76 -7.278 1.774 2.338 1.00 0.00 O ATOM 1177 CB VAL A 76 -8.911 1.173 -0.019 1.00 0.00 C ATOM 1178 CG1 VAL A 76 -8.450 2.082 -1.168 1.00 0.00 C ATOM 1179 CG2 VAL A 76 -10.018 0.245 -0.526 1.00 0.00 C ATOM 0 H VAL A 76 -8.948 -0.487 2.047 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.136 -0.028 -0.349 1.00 0.00 H new ATOM 0 HB VAL A 76 -9.284 1.791 0.798 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -9.291 2.680 -1.519 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -7.658 2.742 -0.814 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -8.073 1.470 -1.987 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -10.856 0.841 -0.887 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -9.633 -0.370 -1.339 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -10.355 -0.398 0.287 1.00 0.00 H new ATOM 1189 N VAL A 77 -5.554 1.086 1.168 1.00 0.00 N ATOM 1190 CA VAL A 77 -4.603 1.825 2.042 1.00 0.00 C ATOM 1191 C VAL A 77 -3.694 2.716 1.216 1.00 0.00 C ATOM 1192 O VAL A 77 -3.575 2.546 0.025 1.00 0.00 O ATOM 1193 CB VAL A 77 -3.762 0.739 2.712 1.00 0.00 C ATOM 1194 CG1 VAL A 77 -4.556 0.105 3.851 1.00 0.00 C ATOM 1195 CG2 VAL A 77 -3.397 -0.330 1.673 1.00 0.00 C ATOM 0 H VAL A 77 -5.125 0.566 0.403 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.127 2.462 2.754 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.850 1.178 3.116 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -3.954 -0.669 4.327 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.812 0.869 4.585 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.470 -0.338 3.455 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -2.797 -1.107 2.146 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.308 -0.771 1.269 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.826 0.128 0.865 1.00 0.00 H new ATOM 1205 N PRO A 78 -3.042 3.609 1.894 1.00 0.00 N ATOM 1206 CA PRO A 78 -2.083 4.517 1.224 1.00 0.00 C ATOM 1207 C PRO A 78 -0.978 3.650 0.628 1.00 0.00 C ATOM 1208 O PRO A 78 -0.071 3.231 1.304 1.00 0.00 O ATOM 1209 CB PRO A 78 -1.588 5.403 2.370 1.00 0.00 C ATOM 1210 CG PRO A 78 -1.835 4.588 3.599 1.00 0.00 C ATOM 1211 CD PRO A 78 -3.110 3.845 3.336 1.00 0.00 C ATOM 0 HA PRO A 78 -2.484 5.122 0.411 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -0.531 5.644 2.258 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -2.129 6.349 2.404 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -1.011 3.900 3.786 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -1.925 5.223 4.480 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -3.161 2.913 3.899 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -3.987 4.432 3.611 1.00 0.00 H new ATOM 1219 N ALA A 79 -1.084 3.316 -0.624 1.00 0.00 N ATOM 1220 CA ALA A 79 -0.080 2.403 -1.227 1.00 0.00 C ATOM 1221 C ALA A 79 0.829 3.100 -2.245 1.00 0.00 C ATOM 1222 O ALA A 79 0.416 3.965 -2.987 1.00 0.00 O ATOM 1223 CB ALA A 79 -0.944 1.346 -1.914 1.00 0.00 C ATOM 0 H ALA A 79 -1.820 3.634 -1.254 1.00 0.00 H new ATOM 0 HA ALA A 79 0.605 2.004 -0.479 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.302 0.610 -2.399 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.569 0.849 -1.172 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.578 1.824 -2.661 1.00 0.00 H new ATOM 1229 N ILE A 80 2.070 2.688 -2.291 1.00 0.00 N ATOM 1230 CA ILE A 80 3.032 3.270 -3.269 1.00 0.00 C ATOM 1231 C ILE A 80 3.377 2.184 -4.297 1.00 0.00 C ATOM 1232 O ILE A 80 3.675 1.061 -3.936 1.00 0.00 O ATOM 1233 CB ILE A 80 4.264 3.648 -2.438 1.00 0.00 C ATOM 1234 CG1 ILE A 80 3.824 4.522 -1.257 1.00 0.00 C ATOM 1235 CG2 ILE A 80 5.253 4.433 -3.305 1.00 0.00 C ATOM 1236 CD1 ILE A 80 4.842 4.405 -0.119 1.00 0.00 C ATOM 0 H ILE A 80 2.460 1.966 -1.686 1.00 0.00 H new ATOM 0 HA ILE A 80 2.643 4.135 -3.806 1.00 0.00 H new ATOM 0 HB ILE A 80 4.746 2.742 -2.072 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.737 5.561 -1.574 1.00 0.00 H new ATOM 0 HG13 ILE A 80 2.839 4.211 -0.910 1.00 0.00 H new ATOM 0 HG21 ILE A 80 6.127 4.699 -2.710 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.563 3.819 -4.150 1.00 0.00 H new ATOM 0 HG23 ILE A 80 4.774 5.341 -3.673 1.00 0.00 H new ATOM 0 HD11 ILE A 80 4.525 5.028 0.718 1.00 0.00 H new ATOM 0 HD12 ILE A 80 4.907 3.366 0.206 1.00 0.00 H new ATOM 0 HD13 ILE A 80 5.819 4.738 -0.469 1.00 0.00 H new ATOM 1248 N VAL A 81 3.320 2.483 -5.567 1.00 0.00 N ATOM 1249 CA VAL A 81 3.630 1.433 -6.580 1.00 0.00 C ATOM 1250 C VAL A 81 4.983 1.708 -7.239 1.00 0.00 C ATOM 1251 O VAL A 81 5.345 2.839 -7.494 1.00 0.00 O ATOM 1252 CB VAL A 81 2.506 1.511 -7.610 1.00 0.00 C ATOM 1253 CG1 VAL A 81 2.748 0.456 -8.689 1.00 0.00 C ATOM 1254 CG2 VAL A 81 1.159 1.244 -6.926 1.00 0.00 C ATOM 0 H VAL A 81 3.075 3.398 -5.944 1.00 0.00 H new ATOM 0 HA VAL A 81 3.693 0.443 -6.128 1.00 0.00 H new ATOM 0 HB VAL A 81 2.488 2.504 -8.060 1.00 0.00 H new ATOM 0 HG11 VAL A 81 1.950 0.504 -9.430 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.706 0.645 -9.174 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.761 -0.534 -8.233 1.00 0.00 H new ATOM 0 HG21 VAL A 81 0.359 1.300 -7.664 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.169 0.251 -6.477 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.990 1.991 -6.150 1.00 0.00 H new ATOM 1264 N VAL A 82 5.743 0.679 -7.499 1.00 0.00 N ATOM 1265 CA VAL A 82 7.086 0.875 -8.119 1.00 0.00 C ATOM 1266 C VAL A 82 7.148 0.238 -9.524 1.00 0.00 C ATOM 1267 O VAL A 82 6.335 -0.591 -9.876 1.00 0.00 O ATOM 1268 CB VAL A 82 8.051 0.167 -7.162 1.00 0.00 C ATOM 1269 CG1 VAL A 82 9.477 0.659 -7.408 1.00 0.00 C ATOM 1270 CG2 VAL A 82 7.658 0.473 -5.709 1.00 0.00 C ATOM 0 H VAL A 82 5.492 -0.291 -7.309 1.00 0.00 H new ATOM 0 HA VAL A 82 7.327 1.929 -8.255 1.00 0.00 H new ATOM 0 HB VAL A 82 7.999 -0.908 -7.337 1.00 0.00 H new ATOM 0 HG11 VAL A 82 10.159 0.153 -6.725 1.00 0.00 H new ATOM 0 HG12 VAL A 82 9.765 0.441 -8.436 1.00 0.00 H new ATOM 0 HG13 VAL A 82 9.525 1.735 -7.238 1.00 0.00 H new ATOM 0 HG21 VAL A 82 8.347 -0.032 -5.032 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.705 1.549 -5.538 1.00 0.00 H new ATOM 0 HG23 VAL A 82 6.643 0.120 -5.525 1.00 0.00 H new ATOM 1280 N GLY A 83 8.118 0.621 -10.321 1.00 0.00 N ATOM 1281 CA GLY A 83 8.252 0.035 -11.693 1.00 0.00 C ATOM 1282 C GLY A 83 7.505 0.891 -12.723 1.00 0.00 C ATOM 1283 O GLY A 83 7.362 0.507 -13.868 1.00 0.00 O ATOM 0 H GLY A 83 8.824 1.316 -10.079 1.00 0.00 H new ATOM 0 HA2 GLY A 83 9.306 -0.032 -11.964 1.00 0.00 H new ATOM 0 HA3 GLY A 83 7.856 -0.980 -11.701 1.00 0.00 H new ATOM 1287 N ASP A 84 7.031 2.041 -12.336 1.00 0.00 N ATOM 1288 CA ASP A 84 6.300 2.906 -13.309 1.00 0.00 C ATOM 1289 C ASP A 84 7.225 4.001 -13.850 1.00 0.00 C ATOM 1290 O ASP A 84 8.009 4.579 -13.125 1.00 0.00 O ATOM 1291 CB ASP A 84 5.155 3.519 -12.505 1.00 0.00 C ATOM 1292 CG ASP A 84 4.027 2.496 -12.346 1.00 0.00 C ATOM 1293 OD1 ASP A 84 4.164 1.403 -12.872 1.00 0.00 O ATOM 1294 OD2 ASP A 84 3.044 2.824 -11.701 1.00 0.00 O ATOM 0 H ASP A 84 7.116 2.420 -11.393 1.00 0.00 H new ATOM 0 HA ASP A 84 5.941 2.345 -14.172 1.00 0.00 H new ATOM 0 HB2 ASP A 84 5.514 3.833 -11.525 1.00 0.00 H new ATOM 0 HB3 ASP A 84 4.781 4.411 -13.009 1.00 0.00 H new ATOM 1299 N ARG A 85 7.142 4.295 -15.121 1.00 0.00 N ATOM 1300 CA ARG A 85 8.020 5.357 -15.694 1.00 0.00 C ATOM 1301 C ARG A 85 7.180 6.509 -16.247 1.00 0.00 C ATOM 1302 O ARG A 85 5.970 6.422 -16.347 1.00 0.00 O ATOM 1303 CB ARG A 85 8.793 4.690 -16.837 1.00 0.00 C ATOM 1304 CG ARG A 85 9.658 3.552 -16.301 1.00 0.00 C ATOM 1305 CD ARG A 85 10.392 2.894 -17.473 1.00 0.00 C ATOM 1306 NE ARG A 85 11.182 1.787 -16.865 1.00 0.00 N ATOM 1307 CZ ARG A 85 12.252 2.057 -16.171 1.00 0.00 C ATOM 1308 NH1 ARG A 85 12.655 3.294 -16.042 1.00 0.00 N ATOM 1309 NH2 ARG A 85 12.929 1.090 -15.613 1.00 0.00 N ATOM 0 H ARG A 85 6.508 3.849 -15.784 1.00 0.00 H new ATOM 0 HA ARG A 85 8.684 5.770 -14.935 1.00 0.00 H new ATOM 0 HB2 ARG A 85 8.095 4.306 -17.581 1.00 0.00 H new ATOM 0 HB3 ARG A 85 9.420 5.427 -17.339 1.00 0.00 H new ATOM 0 HG2 ARG A 85 10.375 3.933 -15.574 1.00 0.00 H new ATOM 0 HG3 ARG A 85 9.039 2.819 -15.784 1.00 0.00 H new ATOM 0 HD2 ARG A 85 9.689 2.515 -18.215 1.00 0.00 H new ATOM 0 HD3 ARG A 85 11.040 3.607 -17.982 1.00 0.00 H new ATOM 0 HE ARG A 85 10.886 0.819 -16.992 1.00 0.00 H new ATOM 0 HH11 ARG A 85 12.132 4.050 -16.485 1.00 0.00 H new ATOM 0 HH12 ARG A 85 13.492 3.504 -15.499 1.00 0.00 H new ATOM 0 HH21 ARG A 85 12.621 0.124 -15.720 1.00 0.00 H new ATOM 0 HH22 ARG A 85 13.766 1.301 -15.070 1.00 0.00 H new ATOM 1323 N ASP A 86 7.823 7.584 -16.620 1.00 0.00 N ATOM 1324 CA ASP A 86 7.086 8.753 -17.183 1.00 0.00 C ATOM 1325 C ASP A 86 7.089 8.672 -18.714 1.00 0.00 C ATOM 1326 O ASP A 86 6.706 9.603 -19.395 1.00 0.00 O ATOM 1327 CB ASP A 86 7.878 9.984 -16.732 1.00 0.00 C ATOM 1328 CG ASP A 86 8.089 9.951 -15.218 1.00 0.00 C ATOM 1329 OD1 ASP A 86 8.510 8.919 -14.719 1.00 0.00 O ATOM 1330 OD2 ASP A 86 7.834 10.961 -14.583 1.00 0.00 O ATOM 0 H ASP A 86 8.834 7.703 -16.558 1.00 0.00 H new ATOM 0 HA ASP A 86 6.049 8.786 -16.848 1.00 0.00 H new ATOM 0 HB2 ASP A 86 8.842 10.012 -17.240 1.00 0.00 H new ATOM 0 HB3 ASP A 86 7.344 10.892 -17.012 1.00 0.00 H new ATOM 1335 N SER A 87 7.536 7.574 -19.260 1.00 0.00 N ATOM 1336 CA SER A 87 7.582 7.442 -20.744 1.00 0.00 C ATOM 1337 C SER A 87 6.176 7.325 -21.329 1.00 0.00 C ATOM 1338 O SER A 87 5.998 7.296 -22.527 1.00 0.00 O ATOM 1339 CB SER A 87 8.373 6.162 -21.014 1.00 0.00 C ATOM 1340 OG SER A 87 9.705 6.315 -20.537 1.00 0.00 O ATOM 0 H SER A 87 7.872 6.762 -18.742 1.00 0.00 H new ATOM 0 HA SER A 87 8.042 8.316 -21.206 1.00 0.00 H new ATOM 0 HB2 SER A 87 7.894 5.316 -20.521 1.00 0.00 H new ATOM 0 HB3 SER A 87 8.381 5.946 -22.082 1.00 0.00 H new ATOM 0 HG SER A 87 10.211 5.493 -20.709 1.00 0.00 H new ATOM 1346 N GLU A 88 5.176 7.248 -20.497 1.00 0.00 N ATOM 1347 CA GLU A 88 3.787 7.119 -21.017 1.00 0.00 C ATOM 1348 C GLU A 88 3.557 8.065 -22.195 1.00 0.00 C ATOM 1349 O GLU A 88 3.263 9.232 -22.026 1.00 0.00 O ATOM 1350 CB GLU A 88 2.891 7.512 -19.851 1.00 0.00 C ATOM 1351 CG GLU A 88 3.415 8.805 -19.230 1.00 0.00 C ATOM 1352 CD GLU A 88 2.324 9.432 -18.365 1.00 0.00 C ATOM 1353 OE1 GLU A 88 1.530 8.685 -17.818 1.00 0.00 O ATOM 1354 OE2 GLU A 88 2.298 10.646 -18.267 1.00 0.00 O ATOM 0 H GLU A 88 5.260 7.269 -19.481 1.00 0.00 H new ATOM 0 HA GLU A 88 3.584 6.111 -21.377 1.00 0.00 H new ATOM 0 HB2 GLU A 88 1.866 7.649 -20.195 1.00 0.00 H new ATOM 0 HB3 GLU A 88 2.874 6.717 -19.105 1.00 0.00 H new ATOM 0 HG2 GLU A 88 4.299 8.599 -18.627 1.00 0.00 H new ATOM 0 HG3 GLU A 88 3.718 9.500 -20.013 1.00 0.00 H new ATOM 1361 N ASP A 89 3.695 7.571 -23.386 1.00 0.00 N ATOM 1362 CA ASP A 89 3.490 8.444 -24.580 1.00 0.00 C ATOM 1363 C ASP A 89 2.372 7.923 -25.514 1.00 0.00 C ATOM 1364 O ASP A 89 1.551 8.702 -25.958 1.00 0.00 O ATOM 1365 CB ASP A 89 4.839 8.458 -25.296 1.00 0.00 C ATOM 1366 CG ASP A 89 5.420 9.875 -25.257 1.00 0.00 C ATOM 1367 OD1 ASP A 89 5.985 10.234 -24.237 1.00 0.00 O ATOM 1368 OD2 ASP A 89 5.289 10.578 -26.245 1.00 0.00 O ATOM 0 H ASP A 89 3.940 6.602 -23.591 1.00 0.00 H new ATOM 0 HA ASP A 89 3.165 9.441 -24.282 1.00 0.00 H new ATOM 0 HB2 ASP A 89 5.525 7.759 -24.818 1.00 0.00 H new ATOM 0 HB3 ASP A 89 4.719 8.131 -26.329 1.00 0.00 H new ATOM 1373 N PRO A 90 2.374 6.639 -25.807 1.00 0.00 N ATOM 1374 CA PRO A 90 1.347 6.078 -26.711 1.00 0.00 C ATOM 1375 C PRO A 90 0.105 5.635 -25.926 1.00 0.00 C ATOM 1376 O PRO A 90 -0.816 6.401 -25.722 1.00 0.00 O ATOM 1377 CB PRO A 90 2.058 4.876 -27.326 1.00 0.00 C ATOM 1378 CG PRO A 90 3.106 4.468 -26.331 1.00 0.00 C ATOM 1379 CD PRO A 90 3.301 5.603 -25.354 1.00 0.00 C ATOM 0 HA PRO A 90 0.987 6.794 -27.450 1.00 0.00 H new ATOM 0 HB2 PRO A 90 1.358 4.061 -27.513 1.00 0.00 H new ATOM 0 HB3 PRO A 90 2.508 5.136 -28.284 1.00 0.00 H new ATOM 0 HG2 PRO A 90 2.799 3.564 -25.806 1.00 0.00 H new ATOM 0 HG3 PRO A 90 4.043 4.239 -26.839 1.00 0.00 H new ATOM 0 HD2 PRO A 90 3.079 5.291 -24.333 1.00 0.00 H new ATOM 0 HD3 PRO A 90 4.331 5.961 -25.361 1.00 0.00 H new ATOM 1387 N ASP A 91 0.063 4.402 -25.494 1.00 0.00 N ATOM 1388 CA ASP A 91 -1.130 3.922 -24.739 1.00 0.00 C ATOM 1389 C ASP A 91 -0.719 3.351 -23.374 1.00 0.00 C ATOM 1390 O ASP A 91 -1.029 2.220 -23.049 1.00 0.00 O ATOM 1391 CB ASP A 91 -1.747 2.827 -25.617 1.00 0.00 C ATOM 1392 CG ASP A 91 -2.175 3.422 -26.959 1.00 0.00 C ATOM 1393 OD1 ASP A 91 -1.469 4.286 -27.455 1.00 0.00 O ATOM 1394 OD2 ASP A 91 -3.198 3.002 -27.472 1.00 0.00 O ATOM 0 H ASP A 91 0.800 3.710 -25.631 1.00 0.00 H new ATOM 0 HA ASP A 91 -1.833 4.730 -24.538 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -1.025 2.026 -25.777 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -2.607 2.385 -25.113 1.00 0.00 H new ATOM 1399 N GLU A 92 -0.042 4.126 -22.565 1.00 0.00 N ATOM 1400 CA GLU A 92 0.368 3.622 -21.214 1.00 0.00 C ATOM 1401 C GLU A 92 -0.304 4.442 -20.110 1.00 0.00 C ATOM 1402 O GLU A 92 0.341 5.202 -19.415 1.00 0.00 O ATOM 1403 CB GLU A 92 1.886 3.798 -21.165 1.00 0.00 C ATOM 1404 CG GLU A 92 2.522 2.813 -22.143 1.00 0.00 C ATOM 1405 CD GLU A 92 4.031 2.737 -21.904 1.00 0.00 C ATOM 1406 OE1 GLU A 92 4.426 2.588 -20.760 1.00 0.00 O ATOM 1407 OE2 GLU A 92 4.767 2.822 -22.874 1.00 0.00 O ATOM 0 H GLU A 92 0.245 5.082 -22.778 1.00 0.00 H new ATOM 0 HA GLU A 92 0.073 2.584 -21.059 1.00 0.00 H new ATOM 0 HB2 GLU A 92 2.157 4.821 -21.428 1.00 0.00 H new ATOM 0 HB3 GLU A 92 2.255 3.620 -20.155 1.00 0.00 H new ATOM 0 HG2 GLU A 92 2.076 1.826 -22.019 1.00 0.00 H new ATOM 0 HG3 GLU A 92 2.323 3.126 -23.168 1.00 0.00 H new ATOM 1414 N PRO A 93 -1.590 4.251 -19.986 1.00 0.00 N ATOM 1415 CA PRO A 93 -2.370 4.977 -18.962 1.00 0.00 C ATOM 1416 C PRO A 93 -2.174 4.330 -17.589 1.00 0.00 C ATOM 1417 O PRO A 93 -3.121 3.985 -16.910 1.00 0.00 O ATOM 1418 CB PRO A 93 -3.808 4.824 -19.439 1.00 0.00 C ATOM 1419 CG PRO A 93 -3.823 3.579 -20.274 1.00 0.00 C ATOM 1420 CD PRO A 93 -2.426 3.349 -20.785 1.00 0.00 C ATOM 0 HA PRO A 93 -2.073 6.020 -18.850 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -4.494 4.740 -18.596 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -4.123 5.690 -20.021 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -4.158 2.727 -19.683 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -4.521 3.685 -21.105 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -2.123 2.310 -20.658 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -2.350 3.575 -21.849 1.00 0.00 H new ATOM 1428 N ALA A 94 -0.947 4.170 -17.177 1.00 0.00 N ATOM 1429 CA ALA A 94 -0.674 3.550 -15.850 1.00 0.00 C ATOM 1430 C ALA A 94 -0.899 4.569 -14.730 1.00 0.00 C ATOM 1431 O ALA A 94 -0.043 5.378 -14.425 1.00 0.00 O ATOM 1432 CB ALA A 94 0.794 3.131 -15.908 1.00 0.00 C ATOM 0 H ALA A 94 -0.118 4.443 -17.705 1.00 0.00 H new ATOM 0 HA ALA A 94 -1.333 2.706 -15.644 1.00 0.00 H new ATOM 0 HB1 ALA A 94 1.077 2.664 -14.965 1.00 0.00 H new ATOM 0 HB2 ALA A 94 0.938 2.421 -16.722 1.00 0.00 H new ATOM 0 HB3 ALA A 94 1.417 4.009 -16.079 1.00 0.00 H new ATOM 1438 N LYS A 95 -2.044 4.525 -14.110 1.00 0.00 N ATOM 1439 CA LYS A 95 -2.340 5.473 -13.001 1.00 0.00 C ATOM 1440 C LYS A 95 -3.087 4.735 -11.884 1.00 0.00 C ATOM 1441 O LYS A 95 -2.482 4.187 -10.984 1.00 0.00 O ATOM 1442 CB LYS A 95 -3.212 6.561 -13.634 1.00 0.00 C ATOM 1443 CG LYS A 95 -2.350 7.417 -14.571 1.00 0.00 C ATOM 1444 CD LYS A 95 -3.021 8.777 -14.791 1.00 0.00 C ATOM 1445 CE LYS A 95 -2.520 9.396 -16.101 1.00 0.00 C ATOM 1446 NZ LYS A 95 -1.080 9.704 -15.865 1.00 0.00 N ATOM 0 H LYS A 95 -2.793 3.868 -14.326 1.00 0.00 H new ATOM 0 HA LYS A 95 -1.443 5.899 -12.552 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -4.034 6.108 -14.189 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -3.657 7.185 -12.858 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -1.357 7.555 -14.143 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -2.217 6.908 -15.525 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -4.104 8.657 -14.825 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -2.800 9.442 -13.956 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -2.643 8.705 -16.935 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -3.080 10.298 -16.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -0.751 10.389 -16.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -0.963 10.108 -14.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -0.521 8.830 -15.941 1.00 0.00 H new ATOM 1460 N GLU A 96 -4.394 4.703 -11.934 1.00 0.00 N ATOM 1461 CA GLU A 96 -5.161 3.989 -10.868 1.00 0.00 C ATOM 1462 C GLU A 96 -5.482 2.547 -11.290 1.00 0.00 C ATOM 1463 O GLU A 96 -6.181 1.838 -10.597 1.00 0.00 O ATOM 1464 CB GLU A 96 -6.461 4.781 -10.712 1.00 0.00 C ATOM 1465 CG GLU A 96 -7.396 4.476 -11.889 1.00 0.00 C ATOM 1466 CD GLU A 96 -8.357 5.646 -12.105 1.00 0.00 C ATOM 1467 OE1 GLU A 96 -7.995 6.558 -12.829 1.00 0.00 O ATOM 1468 OE2 GLU A 96 -9.440 5.608 -11.546 1.00 0.00 O ATOM 0 H GLU A 96 -4.961 5.137 -12.662 1.00 0.00 H new ATOM 0 HA GLU A 96 -4.590 3.930 -9.941 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -6.947 4.520 -9.772 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -6.245 5.849 -10.673 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -6.812 4.301 -12.793 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -7.958 3.563 -11.691 1.00 0.00 H new ATOM 1475 N GLN A 97 -5.006 2.110 -12.424 1.00 0.00 N ATOM 1476 CA GLN A 97 -5.333 0.720 -12.865 1.00 0.00 C ATOM 1477 C GLN A 97 -4.704 -0.335 -11.946 1.00 0.00 C ATOM 1478 O GLN A 97 -5.202 -1.436 -11.837 1.00 0.00 O ATOM 1479 CB GLN A 97 -4.768 0.593 -14.282 1.00 0.00 C ATOM 1480 CG GLN A 97 -3.242 0.562 -14.227 1.00 0.00 C ATOM 1481 CD GLN A 97 -2.685 0.291 -15.627 1.00 0.00 C ATOM 1482 OE1 GLN A 97 -3.187 0.810 -16.604 1.00 0.00 O ATOM 1483 NE2 GLN A 97 -1.660 -0.506 -15.763 1.00 0.00 N ATOM 0 H GLN A 97 -4.413 2.645 -13.058 1.00 0.00 H new ATOM 0 HA GLN A 97 -6.409 0.548 -12.831 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -5.143 -0.315 -14.753 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -5.103 1.431 -14.894 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -2.862 1.512 -13.851 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -2.908 -0.212 -13.535 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -1.240 -0.941 -14.942 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -1.279 -0.694 -16.691 1.00 0.00 H new ATOM 1492 N LEU A 98 -3.620 -0.026 -11.292 1.00 0.00 N ATOM 1493 CA LEU A 98 -2.989 -1.040 -10.402 1.00 0.00 C ATOM 1494 C LEU A 98 -3.725 -1.121 -9.074 1.00 0.00 C ATOM 1495 O LEU A 98 -4.135 -2.176 -8.653 1.00 0.00 O ATOM 1496 CB LEU A 98 -1.563 -0.547 -10.177 1.00 0.00 C ATOM 1497 CG LEU A 98 -0.853 -0.464 -11.521 1.00 0.00 C ATOM 1498 CD1 LEU A 98 0.541 0.130 -11.330 1.00 0.00 C ATOM 1499 CD2 LEU A 98 -0.737 -1.868 -12.106 1.00 0.00 C ATOM 0 H LEU A 98 -3.147 0.877 -11.334 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.017 -2.035 -10.845 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.574 0.431 -9.695 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -1.030 -1.225 -9.510 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.421 0.173 -12.200 1.00 0.00 H new ATOM 0 HD11 LEU A 98 1.047 0.188 -12.294 1.00 0.00 H new ATOM 0 HD12 LEU A 98 0.455 1.130 -10.904 1.00 0.00 H new ATOM 0 HD13 LEU A 98 1.117 -0.503 -10.655 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.230 -1.820 -13.069 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -0.165 -2.499 -11.426 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.733 -2.289 -12.241 1.00 0.00 H new ATOM 1511 N TYR A 99 -3.872 -0.013 -8.408 1.00 0.00 N ATOM 1512 CA TYR A 99 -4.555 -0.025 -7.089 1.00 0.00 C ATOM 1513 C TYR A 99 -5.601 1.099 -7.027 1.00 0.00 C ATOM 1514 O TYR A 99 -6.170 1.484 -8.028 1.00 0.00 O ATOM 1515 CB TYR A 99 -3.409 0.223 -6.098 1.00 0.00 C ATOM 1516 CG TYR A 99 -3.742 -0.295 -4.714 1.00 0.00 C ATOM 1517 CD1 TYR A 99 -5.015 -0.800 -4.424 1.00 0.00 C ATOM 1518 CD2 TYR A 99 -2.767 -0.251 -3.707 1.00 0.00 C ATOM 1519 CE1 TYR A 99 -5.308 -1.257 -3.131 1.00 0.00 C ATOM 1520 CE2 TYR A 99 -3.065 -0.712 -2.421 1.00 0.00 C ATOM 1521 CZ TYR A 99 -4.334 -1.213 -2.135 1.00 0.00 C ATOM 1522 OH TYR A 99 -4.629 -1.664 -0.866 1.00 0.00 O ATOM 0 H TYR A 99 -3.548 0.902 -8.721 1.00 0.00 H new ATOM 0 HA TYR A 99 -5.094 -0.949 -6.882 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -2.503 -0.263 -6.460 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -3.198 1.291 -6.046 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -5.770 -0.838 -5.195 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -1.784 0.140 -3.925 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -6.291 -1.644 -2.906 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -2.311 -0.680 -1.648 1.00 0.00 H new ATOM 0 HH TYR A 99 -5.595 -1.811 -0.787 1.00 0.00 H new ATOM 1532 N HIS A 100 -5.861 1.619 -5.860 1.00 0.00 N ATOM 1533 CA HIS A 100 -6.865 2.711 -5.724 1.00 0.00 C ATOM 1534 C HIS A 100 -6.344 3.993 -6.372 1.00 0.00 C ATOM 1535 O HIS A 100 -5.242 4.046 -6.869 1.00 0.00 O ATOM 1536 CB HIS A 100 -7.070 2.893 -4.213 1.00 0.00 C ATOM 1537 CG HIS A 100 -5.752 3.111 -3.513 1.00 0.00 C ATOM 1538 ND1 HIS A 100 -4.524 2.884 -4.133 1.00 0.00 N ATOM 1539 CD2 HIS A 100 -5.451 3.477 -2.222 1.00 0.00 C ATOM 1540 CE1 HIS A 100 -3.554 3.099 -3.224 1.00 0.00 C ATOM 1541 NE2 HIS A 100 -4.081 3.452 -2.072 1.00 0.00 N ATOM 0 H HIS A 100 -5.417 1.332 -4.988 1.00 0.00 H new ATOM 0 HA HIS A 100 -7.804 2.472 -6.223 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -7.728 3.743 -4.031 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -7.564 2.013 -3.801 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -6.166 3.739 -1.456 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -2.496 2.996 -3.414 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -3.567 3.669 -1.218 1.00 0.00 H new ATOM 1549 N SER A 101 -7.141 5.020 -6.392 1.00 0.00 N ATOM 1550 CA SER A 101 -6.698 6.289 -7.032 1.00 0.00 C ATOM 1551 C SER A 101 -5.758 7.078 -6.108 1.00 0.00 C ATOM 1552 O SER A 101 -5.234 8.109 -6.480 1.00 0.00 O ATOM 1553 CB SER A 101 -7.993 7.053 -7.296 1.00 0.00 C ATOM 1554 OG SER A 101 -8.828 6.266 -8.139 1.00 0.00 O ATOM 0 H SER A 101 -8.080 5.038 -5.994 1.00 0.00 H new ATOM 0 HA SER A 101 -6.130 6.117 -7.946 1.00 0.00 H new ATOM 0 HB2 SER A 101 -8.502 7.269 -6.356 1.00 0.00 H new ATOM 0 HB3 SER A 101 -7.776 8.011 -7.768 1.00 0.00 H new ATOM 0 HG SER A 101 -9.664 6.747 -8.313 1.00 0.00 H new ATOM 1560 N ALA A 102 -5.532 6.598 -4.914 1.00 0.00 N ATOM 1561 CA ALA A 102 -4.615 7.322 -3.982 1.00 0.00 C ATOM 1562 C ALA A 102 -3.216 6.711 -4.049 1.00 0.00 C ATOM 1563 O ALA A 102 -2.245 7.317 -3.640 1.00 0.00 O ATOM 1564 CB ALA A 102 -5.212 7.132 -2.589 1.00 0.00 C ATOM 0 H ALA A 102 -5.940 5.740 -4.544 1.00 0.00 H new ATOM 0 HA ALA A 102 -4.522 8.377 -4.238 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -4.588 7.639 -1.853 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -6.217 7.553 -2.564 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -5.258 6.068 -2.355 1.00 0.00 H new ATOM 1570 N GLU A 103 -3.105 5.514 -4.561 1.00 0.00 N ATOM 1571 CA GLU A 103 -1.765 4.871 -4.651 1.00 0.00 C ATOM 1572 C GLU A 103 -0.752 5.857 -5.231 1.00 0.00 C ATOM 1573 O GLU A 103 -1.070 6.648 -6.094 1.00 0.00 O ATOM 1574 CB GLU A 103 -1.950 3.665 -5.592 1.00 0.00 C ATOM 1575 CG GLU A 103 -1.821 4.102 -7.053 1.00 0.00 C ATOM 1576 CD GLU A 103 -2.515 3.076 -7.955 1.00 0.00 C ATOM 1577 OE1 GLU A 103 -3.596 2.640 -7.601 1.00 0.00 O ATOM 1578 OE2 GLU A 103 -1.953 2.742 -8.986 1.00 0.00 O ATOM 0 H GLU A 103 -3.881 4.957 -4.919 1.00 0.00 H new ATOM 0 HA GLU A 103 -1.390 4.562 -3.675 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -1.204 2.903 -5.367 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -2.928 3.213 -5.426 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -2.270 5.086 -7.191 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -0.769 4.190 -7.326 1.00 0.00 H new ATOM 1585 N LEU A 104 0.467 5.811 -4.778 1.00 0.00 N ATOM 1586 CA LEU A 104 1.490 6.740 -5.329 1.00 0.00 C ATOM 1587 C LEU A 104 2.517 5.948 -6.127 1.00 0.00 C ATOM 1588 O LEU A 104 2.804 4.815 -5.821 1.00 0.00 O ATOM 1589 CB LEU A 104 2.138 7.397 -4.122 1.00 0.00 C ATOM 1590 CG LEU A 104 1.454 8.737 -3.867 1.00 0.00 C ATOM 1591 CD1 LEU A 104 0.040 8.487 -3.333 1.00 0.00 C ATOM 1592 CD2 LEU A 104 2.265 9.537 -2.846 1.00 0.00 C ATOM 0 H LEU A 104 0.799 5.174 -4.054 1.00 0.00 H new ATOM 0 HA LEU A 104 1.058 7.484 -5.998 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.046 6.754 -3.247 1.00 0.00 H new ATOM 0 HB3 LEU A 104 3.203 7.544 -4.299 1.00 0.00 H new ATOM 0 HG LEU A 104 1.393 9.304 -4.796 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -0.453 9.441 -3.149 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -0.531 7.919 -4.067 1.00 0.00 H new ATOM 0 HD13 LEU A 104 0.097 7.923 -2.402 1.00 0.00 H new ATOM 0 HD21 LEU A 104 1.777 10.494 -2.663 1.00 0.00 H new ATOM 0 HD22 LEU A 104 2.328 8.978 -1.913 1.00 0.00 H new ATOM 0 HD23 LEU A 104 3.269 9.710 -3.234 1.00 0.00 H new ATOM 1604 N HIS A 105 3.065 6.524 -7.153 1.00 0.00 N ATOM 1605 CA HIS A 105 4.063 5.773 -7.968 1.00 0.00 C ATOM 1606 C HIS A 105 5.487 6.221 -7.635 1.00 0.00 C ATOM 1607 O HIS A 105 5.757 7.392 -7.451 1.00 0.00 O ATOM 1608 CB HIS A 105 3.741 6.105 -9.421 1.00 0.00 C ATOM 1609 CG HIS A 105 2.370 5.597 -9.783 1.00 0.00 C ATOM 1610 ND1 HIS A 105 1.271 5.284 -9.021 1.00 0.00 N flip ATOM 1611 CD2 HIS A 105 1.998 5.355 -11.095 1.00 0.00 C flip ATOM 1612 CE1 HIS A 105 0.235 4.855 -9.844 1.00 0.00 C flip ATOM 1613 NE2 HIS A 105 0.726 4.918 -11.083 1.00 0.00 N flip ATOM 0 H HIS A 105 2.870 7.475 -7.465 1.00 0.00 H new ATOM 0 HA HIS A 105 4.010 4.703 -7.769 1.00 0.00 H new ATOM 0 HB2 HIS A 105 3.789 7.183 -9.574 1.00 0.00 H new ATOM 0 HB3 HIS A 105 4.487 5.657 -10.077 1.00 0.00 H new ATOM 0 HD2 HIS A 105 2.617 5.492 -11.969 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -0.753 4.539 -9.545 1.00 0.00 H new ATOM 0 HE2 HIS A 105 0.200 4.665 -11.920 1.00 0.00 H new ATOM 1621 N LEU A 106 6.406 5.295 -7.566 1.00 0.00 N ATOM 1622 CA LEU A 106 7.819 5.664 -7.253 1.00 0.00 C ATOM 1623 C LEU A 106 8.782 5.047 -8.278 1.00 0.00 C ATOM 1624 O LEU A 106 8.545 3.978 -8.807 1.00 0.00 O ATOM 1625 CB LEU A 106 8.082 5.096 -5.858 1.00 0.00 C ATOM 1626 CG LEU A 106 9.537 5.367 -5.456 1.00 0.00 C ATOM 1627 CD1 LEU A 106 9.798 6.874 -5.395 1.00 0.00 C ATOM 1628 CD2 LEU A 106 9.799 4.758 -4.080 1.00 0.00 C ATOM 0 H LEU A 106 6.240 4.299 -7.713 1.00 0.00 H new ATOM 0 HA LEU A 106 7.974 6.742 -7.290 1.00 0.00 H new ATOM 0 HB2 LEU A 106 7.404 5.551 -5.136 1.00 0.00 H new ATOM 0 HB3 LEU A 106 7.885 4.024 -5.848 1.00 0.00 H new ATOM 0 HG LEU A 106 10.200 4.920 -6.197 1.00 0.00 H new ATOM 0 HD11 LEU A 106 10.834 7.052 -5.109 1.00 0.00 H new ATOM 0 HD12 LEU A 106 9.611 7.316 -6.374 1.00 0.00 H new ATOM 0 HD13 LEU A 106 9.135 7.329 -4.659 1.00 0.00 H new ATOM 0 HD21 LEU A 106 10.832 4.948 -3.789 1.00 0.00 H new ATOM 0 HD22 LEU A 106 9.128 5.208 -3.349 1.00 0.00 H new ATOM 0 HD23 LEU A 106 9.624 3.683 -4.119 1.00 0.00 H new ATOM 1640 N GLY A 107 9.861 5.726 -8.563 1.00 0.00 N ATOM 1641 CA GLY A 107 10.845 5.206 -9.560 1.00 0.00 C ATOM 1642 C GLY A 107 11.513 3.934 -9.036 1.00 0.00 C ATOM 1643 O GLY A 107 11.694 3.757 -7.847 1.00 0.00 O ATOM 0 H GLY A 107 10.105 6.624 -8.146 1.00 0.00 H new ATOM 0 HA2 GLY A 107 10.341 4.997 -10.503 1.00 0.00 H new ATOM 0 HA3 GLY A 107 11.601 5.964 -9.764 1.00 0.00 H new ATOM 1647 N ILE A 108 11.888 3.051 -9.923 1.00 0.00 N ATOM 1648 CA ILE A 108 12.546 1.798 -9.502 1.00 0.00 C ATOM 1649 C ILE A 108 13.843 2.101 -8.751 1.00 0.00 C ATOM 1650 O ILE A 108 14.163 1.466 -7.766 1.00 0.00 O ATOM 1651 CB ILE A 108 12.832 1.082 -10.812 1.00 0.00 C ATOM 1652 CG1 ILE A 108 11.517 0.679 -11.477 1.00 0.00 C ATOM 1653 CG2 ILE A 108 13.649 -0.157 -10.526 1.00 0.00 C ATOM 1654 CD1 ILE A 108 11.821 -0.172 -12.713 1.00 0.00 C ATOM 0 H ILE A 108 11.761 3.153 -10.930 1.00 0.00 H new ATOM 0 HA ILE A 108 11.935 1.203 -8.824 1.00 0.00 H new ATOM 0 HB ILE A 108 13.383 1.745 -11.479 1.00 0.00 H new ATOM 0 HG12 ILE A 108 10.898 0.118 -10.777 1.00 0.00 H new ATOM 0 HG13 ILE A 108 10.952 1.567 -11.761 1.00 0.00 H new ATOM 0 HG21 ILE A 108 13.859 -0.678 -11.460 1.00 0.00 H new ATOM 0 HG22 ILE A 108 14.587 0.128 -10.050 1.00 0.00 H new ATOM 0 HG23 ILE A 108 13.090 -0.816 -9.861 1.00 0.00 H new ATOM 0 HD11 ILE A 108 10.887 -0.463 -13.193 1.00 0.00 H new ATOM 0 HD12 ILE A 108 12.424 0.406 -13.413 1.00 0.00 H new ATOM 0 HD13 ILE A 108 12.369 -1.065 -12.414 1.00 0.00 H new ATOM 1666 N HIS A 109 14.591 3.070 -9.197 1.00 0.00 N ATOM 1667 CA HIS A 109 15.859 3.406 -8.485 1.00 0.00 C ATOM 1668 C HIS A 109 15.605 4.522 -7.467 1.00 0.00 C ATOM 1669 O HIS A 109 16.526 5.121 -6.944 1.00 0.00 O ATOM 1670 CB HIS A 109 16.843 3.861 -9.567 1.00 0.00 C ATOM 1671 CG HIS A 109 16.488 5.245 -10.036 1.00 0.00 C ATOM 1672 ND1 HIS A 109 16.739 6.488 -9.506 1.00 0.00 N flip ATOM 1673 CD2 HIS A 109 15.776 5.464 -11.202 1.00 0.00 C flip ATOM 1674 CE1 HIS A 109 16.192 7.464 -10.332 1.00 0.00 C flip ATOM 1675 NE2 HIS A 109 15.623 6.794 -11.338 1.00 0.00 N flip ATOM 0 H HIS A 109 14.384 3.641 -10.016 1.00 0.00 H new ATOM 0 HA HIS A 109 16.256 2.554 -7.933 1.00 0.00 H new ATOM 0 HB2 HIS A 109 17.859 3.851 -9.173 1.00 0.00 H new ATOM 0 HB3 HIS A 109 16.820 3.166 -10.407 1.00 0.00 H new ATOM 0 HD2 HIS A 109 15.410 4.706 -11.879 1.00 0.00 H new ATOM 0 HE1 HIS A 109 16.221 8.534 -10.190 1.00 0.00 H new ATOM 0 HE2 HIS A 109 15.132 7.237 -12.115 1.00 0.00 H new ATOM 1683 N GLN A 110 14.361 4.802 -7.170 1.00 0.00 N ATOM 1684 CA GLN A 110 14.061 5.874 -6.171 1.00 0.00 C ATOM 1685 C GLN A 110 13.442 5.259 -4.904 1.00 0.00 C ATOM 1686 O GLN A 110 12.748 5.919 -4.159 1.00 0.00 O ATOM 1687 CB GLN A 110 13.045 6.811 -6.838 1.00 0.00 C ATOM 1688 CG GLN A 110 13.443 7.125 -8.283 1.00 0.00 C ATOM 1689 CD GLN A 110 12.529 8.227 -8.838 1.00 0.00 C ATOM 1690 OE1 GLN A 110 11.528 8.673 -8.119 1.00 0.00 O flip ATOM 1691 NE2 GLN A 110 12.726 8.692 -9.946 1.00 0.00 N flip ATOM 0 H GLN A 110 13.546 4.339 -7.572 1.00 0.00 H new ATOM 0 HA GLN A 110 14.967 6.405 -5.878 1.00 0.00 H new ATOM 0 HB2 GLN A 110 12.057 6.350 -6.823 1.00 0.00 H new ATOM 0 HB3 GLN A 110 12.973 7.738 -6.269 1.00 0.00 H new ATOM 0 HG2 GLN A 110 14.484 7.447 -8.323 1.00 0.00 H new ATOM 0 HG3 GLN A 110 13.363 6.228 -8.897 1.00 0.00 H new ATOM 0 HE21 GLN A 110 13.503 8.350 -10.512 1.00 0.00 H new ATOM 0 HE22 GLN A 110 12.114 9.423 -10.308 1.00 0.00 H new ATOM 1700 N LEU A 111 13.677 3.999 -4.659 1.00 0.00 N ATOM 1701 CA LEU A 111 13.090 3.340 -3.450 1.00 0.00 C ATOM 1702 C LEU A 111 13.333 4.187 -2.205 1.00 0.00 C ATOM 1703 O LEU A 111 12.561 4.177 -1.265 1.00 0.00 O ATOM 1704 CB LEU A 111 13.825 2.009 -3.338 1.00 0.00 C ATOM 1705 CG LEU A 111 13.526 1.169 -4.574 1.00 0.00 C ATOM 1706 CD1 LEU A 111 14.266 -0.164 -4.469 1.00 0.00 C ATOM 1707 CD2 LEU A 111 12.018 0.923 -4.664 1.00 0.00 C ATOM 0 H LEU A 111 14.252 3.393 -5.244 1.00 0.00 H new ATOM 0 HA LEU A 111 12.011 3.212 -3.536 1.00 0.00 H new ATOM 0 HB2 LEU A 111 14.898 2.178 -3.249 1.00 0.00 H new ATOM 0 HB3 LEU A 111 13.510 1.480 -2.439 1.00 0.00 H new ATOM 0 HG LEU A 111 13.858 1.694 -5.469 1.00 0.00 H new ATOM 0 HD11 LEU A 111 14.055 -0.768 -5.351 1.00 0.00 H new ATOM 0 HD12 LEU A 111 15.338 0.019 -4.403 1.00 0.00 H new ATOM 0 HD13 LEU A 111 13.933 -0.696 -3.577 1.00 0.00 H new ATOM 0 HD21 LEU A 111 11.799 0.322 -5.547 1.00 0.00 H new ATOM 0 HD22 LEU A 111 11.682 0.393 -3.773 1.00 0.00 H new ATOM 0 HD23 LEU A 111 11.497 1.878 -4.737 1.00 0.00 H new ATOM 1719 N GLU A 112 14.401 4.918 -2.197 1.00 0.00 N ATOM 1720 CA GLU A 112 14.717 5.781 -1.028 1.00 0.00 C ATOM 1721 C GLU A 112 13.634 6.861 -0.870 1.00 0.00 C ATOM 1722 O GLU A 112 13.552 7.534 0.139 1.00 0.00 O ATOM 1723 CB GLU A 112 16.069 6.403 -1.383 1.00 0.00 C ATOM 1724 CG GLU A 112 15.852 7.588 -2.327 1.00 0.00 C ATOM 1725 CD GLU A 112 17.200 8.137 -2.794 1.00 0.00 C ATOM 1726 OE1 GLU A 112 18.206 7.497 -2.531 1.00 0.00 O ATOM 1727 OE2 GLU A 112 17.206 9.190 -3.413 1.00 0.00 O ATOM 0 H GLU A 112 15.080 4.958 -2.957 1.00 0.00 H new ATOM 0 HA GLU A 112 14.751 5.236 -0.085 1.00 0.00 H new ATOM 0 HB2 GLU A 112 16.578 6.734 -0.478 1.00 0.00 H new ATOM 0 HB3 GLU A 112 16.711 5.660 -1.856 1.00 0.00 H new ATOM 0 HG2 GLU A 112 15.260 7.275 -3.187 1.00 0.00 H new ATOM 0 HG3 GLU A 112 15.288 8.370 -1.819 1.00 0.00 H new ATOM 1734 N GLN A 113 12.811 7.027 -1.871 1.00 0.00 N ATOM 1735 CA GLN A 113 11.730 8.056 -1.807 1.00 0.00 C ATOM 1736 C GLN A 113 10.479 7.477 -1.138 1.00 0.00 C ATOM 1737 O GLN A 113 9.516 8.173 -0.883 1.00 0.00 O ATOM 1738 CB GLN A 113 11.439 8.405 -3.264 1.00 0.00 C ATOM 1739 CG GLN A 113 12.510 9.359 -3.798 1.00 0.00 C ATOM 1740 CD GLN A 113 12.131 9.795 -5.218 1.00 0.00 C ATOM 1741 OE1 GLN A 113 11.007 9.610 -5.639 1.00 0.00 O ATOM 1742 NE2 GLN A 113 13.024 10.358 -5.980 1.00 0.00 N ATOM 0 H GLN A 113 12.841 6.490 -2.738 1.00 0.00 H new ATOM 0 HA GLN A 113 12.025 8.928 -1.223 1.00 0.00 H new ATOM 0 HB2 GLN A 113 11.416 7.497 -3.866 1.00 0.00 H new ATOM 0 HB3 GLN A 113 10.455 8.867 -3.346 1.00 0.00 H new ATOM 0 HG2 GLN A 113 12.596 10.230 -3.148 1.00 0.00 H new ATOM 0 HG3 GLN A 113 13.483 8.867 -3.803 1.00 0.00 H new ATOM 0 HE21 GLN A 113 13.969 10.514 -5.629 1.00 0.00 H new ATOM 0 HE22 GLN A 113 12.779 10.643 -6.928 1.00 0.00 H new ATOM 1751 N LEU A 114 10.492 6.205 -0.855 1.00 0.00 N ATOM 1752 CA LEU A 114 9.317 5.565 -0.199 1.00 0.00 C ATOM 1753 C LEU A 114 8.878 6.332 1.059 1.00 0.00 C ATOM 1754 O LEU A 114 7.696 6.529 1.262 1.00 0.00 O ATOM 1755 CB LEU A 114 9.794 4.162 0.171 1.00 0.00 C ATOM 1756 CG LEU A 114 9.597 3.222 -1.014 1.00 0.00 C ATOM 1757 CD1 LEU A 114 10.733 2.202 -1.050 1.00 0.00 C ATOM 1758 CD2 LEU A 114 8.267 2.492 -0.852 1.00 0.00 C ATOM 0 H LEU A 114 11.271 5.577 -1.051 1.00 0.00 H new ATOM 0 HA LEU A 114 8.450 5.555 -0.859 1.00 0.00 H new ATOM 0 HB2 LEU A 114 10.846 4.188 0.455 1.00 0.00 H new ATOM 0 HB3 LEU A 114 9.239 3.795 1.035 1.00 0.00 H new ATOM 0 HG LEU A 114 9.596 3.794 -1.942 1.00 0.00 H new ATOM 0 HD11 LEU A 114 10.592 1.530 -1.897 1.00 0.00 H new ATOM 0 HD12 LEU A 114 11.685 2.722 -1.154 1.00 0.00 H new ATOM 0 HD13 LEU A 114 10.733 1.625 -0.125 1.00 0.00 H new ATOM 0 HD21 LEU A 114 8.117 1.817 -1.695 1.00 0.00 H new ATOM 0 HD22 LEU A 114 8.277 1.918 0.075 1.00 0.00 H new ATOM 0 HD23 LEU A 114 7.455 3.218 -0.820 1.00 0.00 H new ATOM 1770 N PRO A 115 9.823 6.733 1.879 1.00 0.00 N ATOM 1771 CA PRO A 115 9.465 7.466 3.120 1.00 0.00 C ATOM 1772 C PRO A 115 8.802 8.792 2.777 1.00 0.00 C ATOM 1773 O PRO A 115 7.858 9.205 3.418 1.00 0.00 O ATOM 1774 CB PRO A 115 10.800 7.653 3.833 1.00 0.00 C ATOM 1775 CG PRO A 115 11.819 7.561 2.748 1.00 0.00 C ATOM 1776 CD PRO A 115 11.276 6.569 1.750 1.00 0.00 C ATOM 0 HA PRO A 115 8.746 6.938 3.747 1.00 0.00 H new ATOM 0 HB2 PRO A 115 10.847 8.616 4.341 1.00 0.00 H new ATOM 0 HB3 PRO A 115 10.956 6.885 4.591 1.00 0.00 H new ATOM 0 HG2 PRO A 115 11.982 8.533 2.283 1.00 0.00 H new ATOM 0 HG3 PRO A 115 12.780 7.231 3.142 1.00 0.00 H new ATOM 0 HD2 PRO A 115 11.618 6.786 0.738 1.00 0.00 H new ATOM 0 HD3 PRO A 115 11.589 5.551 1.981 1.00 0.00 H new ATOM 1784 N TYR A 116 9.255 9.447 1.752 1.00 0.00 N ATOM 1785 CA TYR A 116 8.600 10.721 1.365 1.00 0.00 C ATOM 1786 C TYR A 116 7.341 10.375 0.571 1.00 0.00 C ATOM 1787 O TYR A 116 6.337 11.060 0.629 1.00 0.00 O ATOM 1788 CB TYR A 116 9.644 11.483 0.539 1.00 0.00 C ATOM 1789 CG TYR A 116 9.227 11.587 -0.906 1.00 0.00 C ATOM 1790 CD1 TYR A 116 8.098 12.336 -1.255 1.00 0.00 C ATOM 1791 CD2 TYR A 116 9.975 10.944 -1.892 1.00 0.00 C ATOM 1792 CE1 TYR A 116 7.719 12.444 -2.598 1.00 0.00 C ATOM 1793 CE2 TYR A 116 9.598 11.048 -3.234 1.00 0.00 C ATOM 1794 CZ TYR A 116 8.469 11.798 -3.588 1.00 0.00 C ATOM 1795 OH TYR A 116 8.104 11.906 -4.915 1.00 0.00 O ATOM 0 H TYR A 116 10.042 9.160 1.170 1.00 0.00 H new ATOM 0 HA TYR A 116 8.286 11.341 2.205 1.00 0.00 H new ATOM 0 HB2 TYR A 116 9.781 12.482 0.953 1.00 0.00 H new ATOM 0 HB3 TYR A 116 10.606 10.975 0.607 1.00 0.00 H new ATOM 0 HD1 TYR A 116 7.519 12.830 -0.489 1.00 0.00 H new ATOM 0 HD2 TYR A 116 10.845 10.366 -1.619 1.00 0.00 H new ATOM 0 HE1 TYR A 116 6.850 13.024 -2.870 1.00 0.00 H new ATOM 0 HE2 TYR A 116 10.177 10.550 -3.998 1.00 0.00 H new ATOM 0 HH TYR A 116 8.845 11.609 -5.483 1.00 0.00 H new ATOM 1805 N GLN A 117 7.381 9.287 -0.148 1.00 0.00 N ATOM 1806 CA GLN A 117 6.182 8.861 -0.911 1.00 0.00 C ATOM 1807 C GLN A 117 5.122 8.412 0.087 1.00 0.00 C ATOM 1808 O GLN A 117 3.947 8.671 -0.069 1.00 0.00 O ATOM 1809 CB GLN A 117 6.650 7.699 -1.789 1.00 0.00 C ATOM 1810 CG GLN A 117 7.335 8.247 -3.043 1.00 0.00 C ATOM 1811 CD GLN A 117 6.286 8.914 -3.940 1.00 0.00 C ATOM 1812 OE1 GLN A 117 5.110 8.626 -3.836 1.00 0.00 O ATOM 1813 NE2 GLN A 117 6.661 9.795 -4.824 1.00 0.00 N ATOM 0 H GLN A 117 8.194 8.677 -0.238 1.00 0.00 H new ATOM 0 HA GLN A 117 5.751 9.652 -1.525 1.00 0.00 H new ATOM 0 HB2 GLN A 117 7.340 7.065 -1.233 1.00 0.00 H new ATOM 0 HB3 GLN A 117 5.800 7.076 -2.069 1.00 0.00 H new ATOM 0 HG2 GLN A 117 8.105 8.967 -2.766 1.00 0.00 H new ATOM 0 HG3 GLN A 117 7.832 7.441 -3.582 1.00 0.00 H new ATOM 0 HE21 GLN A 117 7.647 10.039 -4.914 1.00 0.00 H new ATOM 0 HE22 GLN A 117 5.968 10.240 -5.426 1.00 0.00 H new ATOM 1822 N VAL A 118 5.550 7.761 1.134 1.00 0.00 N ATOM 1823 CA VAL A 118 4.596 7.311 2.180 1.00 0.00 C ATOM 1824 C VAL A 118 3.871 8.530 2.757 1.00 0.00 C ATOM 1825 O VAL A 118 2.666 8.626 2.687 1.00 0.00 O ATOM 1826 CB VAL A 118 5.475 6.626 3.232 1.00 0.00 C ATOM 1827 CG1 VAL A 118 4.782 6.632 4.599 1.00 0.00 C ATOM 1828 CG2 VAL A 118 5.722 5.180 2.805 1.00 0.00 C ATOM 0 H VAL A 118 6.526 7.521 1.308 1.00 0.00 H new ATOM 0 HA VAL A 118 3.826 6.635 1.808 1.00 0.00 H new ATOM 0 HB VAL A 118 6.418 7.167 3.313 1.00 0.00 H new ATOM 0 HG11 VAL A 118 5.421 6.141 5.333 1.00 0.00 H new ATOM 0 HG12 VAL A 118 4.597 7.661 4.909 1.00 0.00 H new ATOM 0 HG13 VAL A 118 3.834 6.098 4.529 1.00 0.00 H new ATOM 0 HG21 VAL A 118 6.347 4.683 3.547 1.00 0.00 H new ATOM 0 HG22 VAL A 118 4.769 4.657 2.724 1.00 0.00 H new ATOM 0 HG23 VAL A 118 6.226 5.167 1.839 1.00 0.00 H new ATOM 1838 N ASP A 119 4.598 9.476 3.300 1.00 0.00 N ATOM 1839 CA ASP A 119 3.934 10.692 3.856 1.00 0.00 C ATOM 1840 C ASP A 119 3.000 11.278 2.803 1.00 0.00 C ATOM 1841 O ASP A 119 1.872 11.641 3.083 1.00 0.00 O ATOM 1842 CB ASP A 119 5.072 11.662 4.161 1.00 0.00 C ATOM 1843 CG ASP A 119 6.013 11.039 5.191 1.00 0.00 C ATOM 1844 OD1 ASP A 119 5.667 10.000 5.728 1.00 0.00 O ATOM 1845 OD2 ASP A 119 7.066 11.611 5.420 1.00 0.00 O ATOM 0 H ASP A 119 5.615 9.458 3.381 1.00 0.00 H new ATOM 0 HA ASP A 119 3.339 10.481 4.745 1.00 0.00 H new ATOM 0 HB2 ASP A 119 5.619 11.895 3.248 1.00 0.00 H new ATOM 0 HB3 ASP A 119 4.671 12.601 4.541 1.00 0.00 H new ATOM 1850 N ALA A 120 3.448 11.348 1.584 1.00 0.00 N ATOM 1851 CA ALA A 120 2.569 11.880 0.514 1.00 0.00 C ATOM 1852 C ALA A 120 1.419 10.898 0.315 1.00 0.00 C ATOM 1853 O ALA A 120 0.284 11.277 0.113 1.00 0.00 O ATOM 1854 CB ALA A 120 3.452 11.963 -0.735 1.00 0.00 C ATOM 0 H ALA A 120 4.380 11.061 1.284 1.00 0.00 H new ATOM 0 HA ALA A 120 2.142 12.856 0.745 1.00 0.00 H new ATOM 0 HB1 ALA A 120 2.867 12.350 -1.569 1.00 0.00 H new ATOM 0 HB2 ALA A 120 4.293 12.629 -0.542 1.00 0.00 H new ATOM 0 HB3 ALA A 120 3.825 10.970 -0.983 1.00 0.00 H new ATOM 1860 N ALA A 121 1.713 9.628 0.395 1.00 0.00 N ATOM 1861 CA ALA A 121 0.652 8.603 0.233 1.00 0.00 C ATOM 1862 C ALA A 121 -0.410 8.759 1.327 1.00 0.00 C ATOM 1863 O ALA A 121 -1.576 8.497 1.107 1.00 0.00 O ATOM 1864 CB ALA A 121 1.382 7.264 0.355 1.00 0.00 C ATOM 0 H ALA A 121 2.648 9.259 0.567 1.00 0.00 H new ATOM 0 HA ALA A 121 0.126 8.690 -0.718 1.00 0.00 H new ATOM 0 HB1 ALA A 121 0.667 6.449 0.246 1.00 0.00 H new ATOM 0 HB2 ALA A 121 2.139 7.190 -0.426 1.00 0.00 H new ATOM 0 HB3 ALA A 121 1.861 7.199 1.332 1.00 0.00 H new ATOM 1870 N LEU A 122 -0.031 9.197 2.502 1.00 0.00 N ATOM 1871 CA LEU A 122 -1.054 9.371 3.574 1.00 0.00 C ATOM 1872 C LEU A 122 -1.985 10.514 3.201 1.00 0.00 C ATOM 1873 O LEU A 122 -3.189 10.382 3.226 1.00 0.00 O ATOM 1874 CB LEU A 122 -0.294 9.750 4.845 1.00 0.00 C ATOM 1875 CG LEU A 122 0.776 8.708 5.155 1.00 0.00 C ATOM 1876 CD1 LEU A 122 1.424 9.049 6.495 1.00 0.00 C ATOM 1877 CD2 LEU A 122 0.133 7.320 5.236 1.00 0.00 C ATOM 0 H LEU A 122 0.926 9.438 2.761 1.00 0.00 H new ATOM 0 HA LEU A 122 -1.641 8.463 3.710 1.00 0.00 H new ATOM 0 HB2 LEU A 122 0.168 10.729 4.722 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -0.988 9.828 5.682 1.00 0.00 H new ATOM 0 HG LEU A 122 1.530 8.708 4.368 1.00 0.00 H new ATOM 0 HD11 LEU A 122 2.191 8.310 6.727 1.00 0.00 H new ATOM 0 HD12 LEU A 122 1.878 10.038 6.438 1.00 0.00 H new ATOM 0 HD13 LEU A 122 0.666 9.043 7.278 1.00 0.00 H new ATOM 0 HD21 LEU A 122 0.899 6.577 5.458 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -0.619 7.313 6.025 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -0.339 7.082 4.283 1.00 0.00 H new ATOM 1889 N ALA A 123 -1.432 11.639 2.853 1.00 0.00 N ATOM 1890 CA ALA A 123 -2.290 12.790 2.482 1.00 0.00 C ATOM 1891 C ALA A 123 -3.133 12.427 1.265 1.00 0.00 C ATOM 1892 O ALA A 123 -4.322 12.674 1.224 1.00 0.00 O ATOM 1893 CB ALA A 123 -1.324 13.924 2.160 1.00 0.00 C ATOM 0 H ALA A 123 -0.427 11.810 2.810 1.00 0.00 H new ATOM 0 HA ALA A 123 -2.980 13.073 3.277 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -1.888 14.813 1.876 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -0.717 14.145 3.038 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -0.676 13.627 1.336 1.00 0.00 H new ATOM 1899 N GLU A 124 -2.535 11.827 0.272 1.00 0.00 N ATOM 1900 CA GLU A 124 -3.326 11.441 -0.926 1.00 0.00 C ATOM 1901 C GLU A 124 -4.431 10.472 -0.504 1.00 0.00 C ATOM 1902 O GLU A 124 -5.561 10.579 -0.932 1.00 0.00 O ATOM 1903 CB GLU A 124 -2.335 10.751 -1.860 1.00 0.00 C ATOM 1904 CG GLU A 124 -3.059 10.313 -3.136 1.00 0.00 C ATOM 1905 CD GLU A 124 -3.330 11.532 -4.026 1.00 0.00 C ATOM 1906 OE1 GLU A 124 -2.496 12.423 -4.047 1.00 0.00 O ATOM 1907 OE2 GLU A 124 -4.365 11.551 -4.672 1.00 0.00 O ATOM 0 H GLU A 124 -1.543 11.590 0.240 1.00 0.00 H new ATOM 0 HA GLU A 124 -3.800 12.294 -1.412 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -1.518 11.429 -2.107 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -1.893 9.887 -1.365 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -2.454 9.585 -3.676 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -3.998 9.822 -2.881 1.00 0.00 H new ATOM 1914 N PHE A 125 -4.105 9.526 0.342 1.00 0.00 N ATOM 1915 CA PHE A 125 -5.131 8.548 0.802 1.00 0.00 C ATOM 1916 C PHE A 125 -6.245 9.259 1.567 1.00 0.00 C ATOM 1917 O PHE A 125 -7.417 9.034 1.337 1.00 0.00 O ATOM 1918 CB PHE A 125 -4.394 7.596 1.746 1.00 0.00 C ATOM 1919 CG PHE A 125 -5.363 6.539 2.223 1.00 0.00 C ATOM 1920 CD1 PHE A 125 -5.814 5.559 1.332 1.00 0.00 C ATOM 1921 CD2 PHE A 125 -5.816 6.541 3.550 1.00 0.00 C ATOM 1922 CE1 PHE A 125 -6.720 4.582 1.763 1.00 0.00 C ATOM 1923 CE2 PHE A 125 -6.722 5.561 3.981 1.00 0.00 C ATOM 1924 CZ PHE A 125 -7.172 4.582 3.088 1.00 0.00 C ATOM 0 H PHE A 125 -3.172 9.391 0.732 1.00 0.00 H new ATOM 0 HA PHE A 125 -5.589 8.028 -0.040 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -3.552 7.132 1.233 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -3.987 8.146 2.595 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -5.463 5.556 0.311 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -5.468 7.296 4.239 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -7.070 3.828 1.073 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -7.073 5.562 5.003 1.00 0.00 H new ATOM 0 HZ PHE A 125 -7.868 3.826 3.421 1.00 0.00 H new ATOM 1934 N LEU A 126 -5.881 10.100 2.490 1.00 0.00 N ATOM 1935 CA LEU A 126 -6.910 10.814 3.294 1.00 0.00 C ATOM 1936 C LEU A 126 -7.779 11.693 2.407 1.00 0.00 C ATOM 1937 O LEU A 126 -8.991 11.663 2.478 1.00 0.00 O ATOM 1938 CB LEU A 126 -6.115 11.665 4.278 1.00 0.00 C ATOM 1939 CG LEU A 126 -5.273 10.748 5.162 1.00 0.00 C ATOM 1940 CD1 LEU A 126 -4.307 11.588 5.999 1.00 0.00 C ATOM 1941 CD2 LEU A 126 -6.201 9.953 6.082 1.00 0.00 C ATOM 0 H LEU A 126 -4.914 10.325 2.724 1.00 0.00 H new ATOM 0 HA LEU A 126 -7.586 10.123 3.797 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -5.473 12.362 3.740 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -6.791 12.262 4.891 1.00 0.00 H new ATOM 0 HG LEU A 126 -4.699 10.061 4.541 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -3.707 10.932 6.629 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -3.652 12.155 5.338 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -4.873 12.276 6.627 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -5.608 9.295 6.717 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -6.772 10.641 6.705 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -6.886 9.355 5.480 1.00 0.00 H new ATOM 1953 N ARG A 127 -7.176 12.483 1.577 1.00 0.00 N ATOM 1954 CA ARG A 127 -7.987 13.365 0.702 1.00 0.00 C ATOM 1955 C ARG A 127 -8.879 12.537 -0.225 1.00 0.00 C ATOM 1956 O ARG A 127 -10.006 12.898 -0.496 1.00 0.00 O ATOM 1957 CB ARG A 127 -6.976 14.173 -0.102 1.00 0.00 C ATOM 1958 CG ARG A 127 -7.722 15.248 -0.884 1.00 0.00 C ATOM 1959 CD ARG A 127 -6.715 16.155 -1.580 1.00 0.00 C ATOM 1960 NE ARG A 127 -7.540 17.187 -2.257 1.00 0.00 N ATOM 1961 CZ ARG A 127 -6.963 18.168 -2.894 1.00 0.00 C ATOM 1962 NH1 ARG A 127 -5.661 18.272 -2.895 1.00 0.00 N ATOM 1963 NH2 ARG A 127 -7.688 19.051 -3.522 1.00 0.00 N ATOM 0 H ARG A 127 -6.165 12.559 1.464 1.00 0.00 H new ATOM 0 HA ARG A 127 -8.652 14.007 1.279 1.00 0.00 H new ATOM 0 HB2 ARG A 127 -6.243 14.629 0.563 1.00 0.00 H new ATOM 0 HB3 ARG A 127 -6.428 13.522 -0.783 1.00 0.00 H new ATOM 0 HG2 ARG A 127 -8.382 14.787 -1.619 1.00 0.00 H new ATOM 0 HG3 ARG A 127 -8.351 15.832 -0.212 1.00 0.00 H new ATOM 0 HD2 ARG A 127 -6.027 16.605 -0.864 1.00 0.00 H new ATOM 0 HD3 ARG A 127 -6.111 15.599 -2.297 1.00 0.00 H new ATOM 0 HE ARG A 127 -8.558 17.129 -2.224 1.00 0.00 H new ATOM 0 HH11 ARG A 127 -5.094 17.585 -2.397 1.00 0.00 H new ATOM 0 HH12 ARG A 127 -5.211 19.040 -3.394 1.00 0.00 H new ATOM 0 HH21 ARG A 127 -8.705 18.974 -3.515 1.00 0.00 H new ATOM 0 HH22 ARG A 127 -7.238 19.819 -4.021 1.00 0.00 H new ATOM 1977 N LEU A 128 -8.384 11.440 -0.728 1.00 0.00 N ATOM 1978 CA LEU A 128 -9.210 10.610 -1.653 1.00 0.00 C ATOM 1979 C LEU A 128 -10.192 9.710 -0.889 1.00 0.00 C ATOM 1980 O LEU A 128 -11.105 9.159 -1.467 1.00 0.00 O ATOM 1981 CB LEU A 128 -8.199 9.776 -2.440 1.00 0.00 C ATOM 1982 CG LEU A 128 -7.870 10.501 -3.749 1.00 0.00 C ATOM 1983 CD1 LEU A 128 -7.131 11.804 -3.438 1.00 0.00 C ATOM 1984 CD2 LEU A 128 -6.984 9.610 -4.623 1.00 0.00 C ATOM 0 H LEU A 128 -7.447 11.082 -0.540 1.00 0.00 H new ATOM 0 HA LEU A 128 -9.829 11.229 -2.302 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -7.293 9.629 -1.852 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -8.607 8.787 -2.649 1.00 0.00 H new ATOM 0 HG LEU A 128 -8.795 10.723 -4.281 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -6.897 12.320 -4.369 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -7.762 12.441 -2.818 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -6.207 11.580 -2.905 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -6.752 10.128 -5.553 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -6.059 9.385 -4.093 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -7.510 8.682 -4.846 1.00 0.00 H new ATOM 1996 N ALA A 129 -10.025 9.549 0.398 1.00 0.00 N ATOM 1997 CA ALA A 129 -10.970 8.675 1.158 1.00 0.00 C ATOM 1998 C ALA A 129 -12.375 9.302 1.193 1.00 0.00 C ATOM 1999 O ALA A 129 -12.517 10.468 1.511 1.00 0.00 O ATOM 2000 CB ALA A 129 -10.400 8.590 2.570 1.00 0.00 C ATOM 0 H ALA A 129 -9.284 9.979 0.951 1.00 0.00 H new ATOM 0 HA ALA A 129 -11.068 7.693 0.696 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -11.044 7.962 3.185 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -9.400 8.158 2.533 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -10.347 9.589 3.002 1.00 0.00 H new ATOM 2006 N PRO A 130 -13.375 8.514 0.869 1.00 0.00 N ATOM 2007 CA PRO A 130 -13.158 7.096 0.486 1.00 0.00 C ATOM 2008 C PRO A 130 -12.545 7.032 -0.913 1.00 0.00 C ATOM 2009 O PRO A 130 -12.951 7.745 -1.811 1.00 0.00 O ATOM 2010 CB PRO A 130 -14.557 6.499 0.500 1.00 0.00 C ATOM 2011 CG PRO A 130 -15.472 7.655 0.270 1.00 0.00 C ATOM 2012 CD PRO A 130 -14.794 8.880 0.822 1.00 0.00 C ATOM 0 HA PRO A 130 -12.477 6.563 1.150 1.00 0.00 H new ATOM 0 HB2 PRO A 130 -14.672 5.744 -0.278 1.00 0.00 H new ATOM 0 HB3 PRO A 130 -14.769 6.011 1.452 1.00 0.00 H new ATOM 0 HG2 PRO A 130 -15.678 7.776 -0.793 1.00 0.00 H new ATOM 0 HG3 PRO A 130 -16.430 7.491 0.763 1.00 0.00 H new ATOM 0 HD2 PRO A 130 -14.961 9.749 0.185 1.00 0.00 H new ATOM 0 HD3 PRO A 130 -15.173 9.133 1.812 1.00 0.00 H new ATOM 2020 N VAL A 131 -11.562 6.201 -1.108 1.00 0.00 N ATOM 2021 CA VAL A 131 -10.923 6.121 -2.453 1.00 0.00 C ATOM 2022 C VAL A 131 -11.749 5.251 -3.396 1.00 0.00 C ATOM 2023 O VAL A 131 -12.589 4.478 -2.976 1.00 0.00 O ATOM 2024 CB VAL A 131 -9.551 5.495 -2.222 1.00 0.00 C ATOM 2025 CG1 VAL A 131 -8.666 5.780 -3.433 1.00 0.00 C ATOM 2026 CG2 VAL A 131 -8.918 6.094 -0.963 1.00 0.00 C ATOM 0 H VAL A 131 -11.174 5.577 -0.401 1.00 0.00 H new ATOM 0 HA VAL A 131 -10.848 7.105 -2.915 1.00 0.00 H new ATOM 0 HB VAL A 131 -9.653 4.418 -2.089 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -7.683 5.336 -3.277 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -9.121 5.350 -4.325 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -8.562 6.857 -3.562 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -7.938 5.645 -0.800 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -8.808 7.171 -1.088 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -9.557 5.892 -0.103 1.00 0.00 H new ATOM 2036 N GLU A 132 -11.517 5.380 -4.673 1.00 0.00 N ATOM 2037 CA GLU A 132 -12.283 4.574 -5.660 1.00 0.00 C ATOM 2038 C GLU A 132 -11.416 3.445 -6.230 1.00 0.00 C ATOM 2039 O GLU A 132 -10.592 3.665 -7.097 1.00 0.00 O ATOM 2040 CB GLU A 132 -12.651 5.573 -6.764 1.00 0.00 C ATOM 2041 CG GLU A 132 -13.284 6.818 -6.138 1.00 0.00 C ATOM 2042 CD GLU A 132 -14.014 7.620 -7.216 1.00 0.00 C ATOM 2043 OE1 GLU A 132 -13.376 8.454 -7.837 1.00 0.00 O ATOM 2044 OE2 GLU A 132 -15.197 7.386 -7.404 1.00 0.00 O ATOM 0 H GLU A 132 -10.826 6.013 -5.076 1.00 0.00 H new ATOM 0 HA GLU A 132 -13.157 4.099 -5.215 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -11.761 5.850 -7.329 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -13.346 5.114 -7.467 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -13.981 6.528 -5.352 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -12.515 7.433 -5.671 1.00 0.00 H new ATOM 2051 N THR A 133 -11.603 2.236 -5.767 1.00 0.00 N ATOM 2052 CA THR A 133 -10.800 1.098 -6.306 1.00 0.00 C ATOM 2053 C THR A 133 -11.597 0.420 -7.427 1.00 0.00 C ATOM 2054 O THR A 133 -12.737 0.045 -7.246 1.00 0.00 O ATOM 2055 CB THR A 133 -10.599 0.135 -5.133 1.00 0.00 C ATOM 2056 OG1 THR A 133 -11.746 0.164 -4.300 1.00 0.00 O ATOM 2057 CG2 THR A 133 -9.365 0.538 -4.322 1.00 0.00 C ATOM 0 H THR A 133 -12.275 1.988 -5.041 1.00 0.00 H new ATOM 0 HA THR A 133 -9.842 1.418 -6.716 1.00 0.00 H new ATOM 0 HB THR A 133 -10.451 -0.873 -5.521 1.00 0.00 H new ATOM 0 HG1 THR A 133 -11.621 -0.453 -3.549 1.00 0.00 H new ATOM 0 HG21 THR A 133 -9.234 -0.155 -3.491 1.00 0.00 H new ATOM 0 HG22 THR A 133 -8.483 0.508 -4.962 1.00 0.00 H new ATOM 0 HG23 THR A 133 -9.498 1.548 -3.935 1.00 0.00 H new ATOM 2065 N MET A 134 -11.021 0.278 -8.588 1.00 0.00 N ATOM 2066 CA MET A 134 -11.771 -0.352 -9.716 1.00 0.00 C ATOM 2067 C MET A 134 -11.369 -1.822 -9.911 1.00 0.00 C ATOM 2068 O MET A 134 -11.661 -2.424 -10.925 1.00 0.00 O ATOM 2069 CB MET A 134 -11.400 0.492 -10.930 1.00 0.00 C ATOM 2070 CG MET A 134 -11.912 1.920 -10.714 1.00 0.00 C ATOM 2071 SD MET A 134 -11.496 2.935 -12.149 1.00 0.00 S ATOM 2072 CE MET A 134 -12.436 1.978 -13.362 1.00 0.00 C ATOM 0 H MET A 134 -10.068 0.569 -8.806 1.00 0.00 H new ATOM 0 HA MET A 134 -12.846 -0.372 -9.536 1.00 0.00 H new ATOM 0 HB2 MET A 134 -10.319 0.496 -11.071 1.00 0.00 H new ATOM 0 HB3 MET A 134 -11.838 0.067 -11.833 1.00 0.00 H new ATOM 0 HG2 MET A 134 -12.991 1.911 -10.562 1.00 0.00 H new ATOM 0 HG3 MET A 134 -11.467 2.345 -9.814 1.00 0.00 H new ATOM 0 HE1 MET A 134 -12.807 2.643 -14.142 1.00 0.00 H new ATOM 0 HE2 MET A 134 -11.790 1.221 -13.808 1.00 0.00 H new ATOM 0 HE3 MET A 134 -13.278 1.492 -12.869 1.00 0.00 H new ATOM 2082 N ALA A 135 -10.719 -2.403 -8.945 1.00 0.00 N ATOM 2083 CA ALA A 135 -10.315 -3.833 -9.071 1.00 0.00 C ATOM 2084 C ALA A 135 -11.503 -4.674 -9.553 1.00 0.00 C ATOM 2085 O ALA A 135 -12.566 -4.554 -8.964 1.00 0.00 O ATOM 2086 CB ALA A 135 -9.902 -4.246 -7.659 1.00 0.00 C ATOM 2087 OXT ALA A 135 -11.330 -5.424 -10.497 1.00 0.00 O ATOM 0 H ALA A 135 -10.448 -1.951 -8.072 1.00 0.00 H new ATOM 0 HA ALA A 135 -9.510 -3.978 -9.792 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -9.589 -5.290 -7.662 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -9.075 -3.620 -7.324 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -10.747 -4.123 -6.982 1.00 0.00 H new TER 2093 ALA A 135