USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 834 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 97 ASN : amide:sc= -4.25! C(o=-4.3!,f=-5.2!) USER MOD Set 1.2: A 99 GLN : amide:sc= -0.0348 K(o=-4.3,f=-5.2) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 72:sc= 1.12 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -1.98! C(o=-2!,f=-2.1!) USER MOD Single : A 18 THR OG1 : rot -79:sc= -0.864 USER MOD Single : A 19 THR OG1 : rot 97:sc= 1.18 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 MET CE :methyl -132:sc= -2.31 (180deg=-7.62!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= -4.95! C(o=-4.9!,f=-1.8!) USER MOD Single : A 33 HIS : no HD1:sc= -0.0836 X(o=-0.084,f=-0.084) USER MOD Single : A 35 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0247) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 30:sc= -0.778 USER MOD Single : A 39 ASN : amide:sc= -0.281 X(o=-0.28,f=-0.099) USER MOD Single : A 40 CYS SG : rot -136:sc= -1.25 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -2.26! K(o=-2.3!,f=-0.5) USER MOD Single : A 57 ASN : amide:sc= 0.222 K(o=0.22,f=-8.5!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -1.97 K(o=-2,f=-2.7!) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 68 GLN : amide:sc= -0.0838 X(o=-0.084,f=-0.084) USER MOD Single : A 69 THR OG1 : rot -130:sc= -0.0757 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 159:sc= -0.0597 (180deg=-0.435) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= 0.065 X(o=0.065,f=0) USER MOD Single : A 80 HIS : no HD1:sc= -1.38 K(o=-1.4,f=-0.87) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 89:sc= 0.021 USER MOD Single : A 93 ASN : amide:sc= -0.141 K(o=-0.14,f=-2.4!) USER MOD Single : A 98 ASN : amide:sc= -0.425 X(o=-0.43,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.530 -10.949 -0.637 1.00 0.00 N ATOM 2 CA GLY A 1 20.500 -10.200 -1.880 1.00 0.00 C ATOM 3 C GLY A 1 20.188 -8.732 -1.665 1.00 0.00 C ATOM 4 O GLY A 1 19.071 -8.377 -1.290 1.00 0.00 O ATOM 0 H1 GLY A 1 20.747 -11.946 -0.838 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.261 -10.554 -0.012 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.603 -10.884 -0.170 1.00 0.00 H new ATOM 0 HA2 GLY A 1 21.464 -10.294 -2.381 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.752 -10.634 -2.544 1.00 0.00 H new ATOM 8 N SER A 2 21.178 -7.878 -1.903 1.00 0.00 N ATOM 9 CA SER A 2 21.006 -6.441 -1.728 1.00 0.00 C ATOM 10 C SER A 2 20.480 -5.797 -3.007 1.00 0.00 C ATOM 11 O SER A 2 20.452 -6.425 -4.065 1.00 0.00 O ATOM 12 CB SER A 2 22.331 -5.792 -1.325 1.00 0.00 C ATOM 13 OG SER A 2 23.223 -5.727 -2.424 1.00 0.00 O ATOM 0 H SER A 2 22.108 -8.156 -2.218 1.00 0.00 H new ATOM 0 HA SER A 2 20.276 -6.282 -0.935 1.00 0.00 H new ATOM 0 HB2 SER A 2 22.146 -4.788 -0.943 1.00 0.00 H new ATOM 0 HB3 SER A 2 22.787 -6.362 -0.516 1.00 0.00 H new ATOM 0 HG SER A 2 24.062 -5.307 -2.140 1.00 0.00 H new ATOM 19 N SER A 3 20.064 -4.539 -2.902 1.00 0.00 N ATOM 20 CA SER A 3 19.535 -3.810 -4.049 1.00 0.00 C ATOM 21 C SER A 3 20.035 -2.369 -4.054 1.00 0.00 C ATOM 22 O SER A 3 20.636 -1.905 -3.086 1.00 0.00 O ATOM 23 CB SER A 3 18.005 -3.831 -4.032 1.00 0.00 C ATOM 24 OG SER A 3 17.492 -2.874 -3.121 1.00 0.00 O ATOM 0 H SER A 3 20.083 -4.003 -2.034 1.00 0.00 H new ATOM 0 HA SER A 3 19.888 -4.302 -4.955 1.00 0.00 H new ATOM 0 HB2 SER A 3 17.624 -3.626 -5.033 1.00 0.00 H new ATOM 0 HB3 SER A 3 17.655 -4.825 -3.755 1.00 0.00 H new ATOM 0 HG SER A 3 16.513 -2.906 -3.130 1.00 0.00 H new ATOM 30 N GLY A 4 19.781 -1.664 -5.153 1.00 0.00 N ATOM 31 CA GLY A 4 20.212 -0.283 -5.265 1.00 0.00 C ATOM 32 C GLY A 4 21.681 -0.105 -4.936 1.00 0.00 C ATOM 33 O GLY A 4 22.050 0.042 -3.771 1.00 0.00 O ATOM 0 H GLY A 4 19.284 -2.025 -5.967 1.00 0.00 H new ATOM 0 HA2 GLY A 4 20.024 0.072 -6.278 1.00 0.00 H new ATOM 0 HA3 GLY A 4 19.615 0.336 -4.595 1.00 0.00 H new ATOM 37 N SER A 5 22.523 -0.121 -5.965 1.00 0.00 N ATOM 38 CA SER A 5 23.960 0.034 -5.778 1.00 0.00 C ATOM 39 C SER A 5 24.282 1.371 -5.118 1.00 0.00 C ATOM 40 O SER A 5 24.930 1.420 -4.073 1.00 0.00 O ATOM 41 CB SER A 5 24.684 -0.072 -7.122 1.00 0.00 C ATOM 42 OG SER A 5 26.018 -0.520 -6.949 1.00 0.00 O ATOM 0 H SER A 5 22.234 -0.240 -6.936 1.00 0.00 H new ATOM 0 HA SER A 5 24.305 -0.766 -5.123 1.00 0.00 H new ATOM 0 HB2 SER A 5 24.147 -0.761 -7.774 1.00 0.00 H new ATOM 0 HB3 SER A 5 24.685 0.900 -7.616 1.00 0.00 H new ATOM 0 HG SER A 5 26.458 -0.581 -7.822 1.00 0.00 H new ATOM 48 N SER A 6 23.822 2.455 -5.737 1.00 0.00 N ATOM 49 CA SER A 6 24.063 3.794 -5.213 1.00 0.00 C ATOM 50 C SER A 6 22.906 4.247 -4.327 1.00 0.00 C ATOM 51 O SER A 6 21.908 3.543 -4.183 1.00 0.00 O ATOM 52 CB SER A 6 24.261 4.786 -6.360 1.00 0.00 C ATOM 53 OG SER A 6 23.127 4.817 -7.209 1.00 0.00 O ATOM 0 H SER A 6 23.281 2.431 -6.601 1.00 0.00 H new ATOM 0 HA SER A 6 24.970 3.763 -4.609 1.00 0.00 H new ATOM 0 HB2 SER A 6 24.444 5.782 -5.956 1.00 0.00 H new ATOM 0 HB3 SER A 6 25.143 4.509 -6.937 1.00 0.00 H new ATOM 0 HG SER A 6 23.278 5.460 -7.933 1.00 0.00 H new ATOM 59 N GLY A 7 23.049 5.430 -3.737 1.00 0.00 N ATOM 60 CA GLY A 7 22.010 5.958 -2.873 1.00 0.00 C ATOM 61 C GLY A 7 21.487 4.924 -1.895 1.00 0.00 C ATOM 62 O GLY A 7 20.276 4.769 -1.732 1.00 0.00 O ATOM 0 H GLY A 7 23.866 6.032 -3.842 1.00 0.00 H new ATOM 0 HA2 GLY A 7 22.401 6.812 -2.320 1.00 0.00 H new ATOM 0 HA3 GLY A 7 21.185 6.325 -3.484 1.00 0.00 H new ATOM 66 N TYR A 8 22.401 4.212 -1.244 1.00 0.00 N ATOM 67 CA TYR A 8 22.026 3.184 -0.281 1.00 0.00 C ATOM 68 C TYR A 8 21.258 3.790 0.890 1.00 0.00 C ATOM 69 O TYR A 8 20.241 3.249 1.326 1.00 0.00 O ATOM 70 CB TYR A 8 23.270 2.457 0.231 1.00 0.00 C ATOM 71 CG TYR A 8 23.097 1.857 1.608 1.00 0.00 C ATOM 72 CD1 TYR A 8 22.604 0.567 1.768 1.00 0.00 C ATOM 73 CD2 TYR A 8 23.424 2.579 2.749 1.00 0.00 C ATOM 74 CE1 TYR A 8 22.444 0.015 3.024 1.00 0.00 C ATOM 75 CE2 TYR A 8 23.268 2.034 4.009 1.00 0.00 C ATOM 76 CZ TYR A 8 22.777 0.752 4.141 1.00 0.00 C ATOM 77 OH TYR A 8 22.619 0.206 5.395 1.00 0.00 O ATOM 0 H TYR A 8 23.407 4.328 -1.366 1.00 0.00 H new ATOM 0 HA TYR A 8 21.378 2.468 -0.786 1.00 0.00 H new ATOM 0 HB2 TYR A 8 23.532 1.665 -0.471 1.00 0.00 H new ATOM 0 HB3 TYR A 8 24.106 3.156 0.251 1.00 0.00 H new ATOM 0 HD1 TYR A 8 22.342 -0.013 0.896 1.00 0.00 H new ATOM 0 HD2 TYR A 8 23.807 3.584 2.649 1.00 0.00 H new ATOM 0 HE1 TYR A 8 22.060 -0.989 3.131 1.00 0.00 H new ATOM 0 HE2 TYR A 8 23.529 2.609 4.885 1.00 0.00 H new ATOM 0 HH TYR A 8 22.901 0.856 6.073 1.00 0.00 H new ATOM 87 N ARG A 9 21.753 4.915 1.395 1.00 0.00 N ATOM 88 CA ARG A 9 21.115 5.595 2.516 1.00 0.00 C ATOM 89 C ARG A 9 19.607 5.693 2.306 1.00 0.00 C ATOM 90 O ARG A 9 18.824 5.280 3.161 1.00 0.00 O ATOM 91 CB ARG A 9 21.708 6.994 2.696 1.00 0.00 C ATOM 92 CG ARG A 9 22.909 7.032 3.626 1.00 0.00 C ATOM 93 CD ARG A 9 22.486 6.962 5.085 1.00 0.00 C ATOM 94 NE ARG A 9 22.246 5.588 5.519 1.00 0.00 N ATOM 95 CZ ARG A 9 21.455 5.267 6.537 1.00 0.00 C ATOM 96 NH1 ARG A 9 20.831 6.216 7.221 1.00 0.00 N ATOM 97 NH2 ARG A 9 21.287 3.994 6.872 1.00 0.00 N ATOM 0 H ARG A 9 22.594 5.375 1.046 1.00 0.00 H new ATOM 0 HA ARG A 9 21.301 5.010 3.417 1.00 0.00 H new ATOM 0 HB2 ARG A 9 22.002 7.383 1.721 1.00 0.00 H new ATOM 0 HB3 ARG A 9 20.937 7.659 3.085 1.00 0.00 H new ATOM 0 HG2 ARG A 9 23.573 6.198 3.398 1.00 0.00 H new ATOM 0 HG3 ARG A 9 23.475 7.947 3.454 1.00 0.00 H new ATOM 0 HD2 ARG A 9 23.260 7.409 5.709 1.00 0.00 H new ATOM 0 HD3 ARG A 9 21.580 7.551 5.229 1.00 0.00 H new ATOM 0 HE ARG A 9 22.711 4.834 5.013 1.00 0.00 H new ATOM 0 HH11 ARG A 9 20.958 7.195 6.966 1.00 0.00 H new ATOM 0 HH12 ARG A 9 20.224 5.967 8.002 1.00 0.00 H new ATOM 0 HH21 ARG A 9 21.765 3.261 6.348 1.00 0.00 H new ATOM 0 HH22 ARG A 9 20.680 3.748 7.654 1.00 0.00 H new ATOM 111 N ALA A 10 19.208 6.242 1.164 1.00 0.00 N ATOM 112 CA ALA A 10 17.795 6.393 0.841 1.00 0.00 C ATOM 113 C ALA A 10 17.123 5.034 0.672 1.00 0.00 C ATOM 114 O ALA A 10 16.070 4.773 1.255 1.00 0.00 O ATOM 115 CB ALA A 10 17.627 7.227 -0.420 1.00 0.00 C ATOM 0 H ALA A 10 19.844 6.590 0.446 1.00 0.00 H new ATOM 0 HA ALA A 10 17.311 6.909 1.671 1.00 0.00 H new ATOM 0 HB1 ALA A 10 16.566 7.331 -0.649 1.00 0.00 H new ATOM 0 HB2 ALA A 10 18.063 8.214 -0.264 1.00 0.00 H new ATOM 0 HB3 ALA A 10 18.131 6.735 -1.252 1.00 0.00 H new ATOM 121 N THR A 11 17.737 4.171 -0.131 1.00 0.00 N ATOM 122 CA THR A 11 17.197 2.840 -0.378 1.00 0.00 C ATOM 123 C THR A 11 16.572 2.257 0.884 1.00 0.00 C ATOM 124 O THR A 11 15.437 1.781 0.864 1.00 0.00 O ATOM 125 CB THR A 11 18.286 1.878 -0.890 1.00 0.00 C ATOM 126 OG1 THR A 11 18.890 2.407 -2.075 1.00 0.00 O ATOM 127 CG2 THR A 11 17.701 0.505 -1.182 1.00 0.00 C ATOM 0 H THR A 11 18.609 4.370 -0.622 1.00 0.00 H new ATOM 0 HA THR A 11 16.429 2.948 -1.144 1.00 0.00 H new ATOM 0 HB THR A 11 19.043 1.775 -0.113 1.00 0.00 H new ATOM 0 HG1 THR A 11 19.460 3.169 -1.840 1.00 0.00 H new ATOM 0 HG21 THR A 11 18.489 -0.157 -1.542 1.00 0.00 H new ATOM 0 HG22 THR A 11 17.269 0.092 -0.270 1.00 0.00 H new ATOM 0 HG23 THR A 11 16.926 0.594 -1.943 1.00 0.00 H new ATOM 135 N LYS A 12 17.320 2.297 1.982 1.00 0.00 N ATOM 136 CA LYS A 12 16.839 1.774 3.255 1.00 0.00 C ATOM 137 C LYS A 12 15.397 2.203 3.509 1.00 0.00 C ATOM 138 O LYS A 12 14.551 1.386 3.877 1.00 0.00 O ATOM 139 CB LYS A 12 17.734 2.255 4.399 1.00 0.00 C ATOM 140 CG LYS A 12 17.359 1.675 5.751 1.00 0.00 C ATOM 141 CD LYS A 12 18.526 1.726 6.723 1.00 0.00 C ATOM 142 CE LYS A 12 18.305 0.797 7.907 1.00 0.00 C ATOM 143 NZ LYS A 12 18.755 -0.592 7.614 1.00 0.00 N ATOM 0 H LYS A 12 18.262 2.686 2.015 1.00 0.00 H new ATOM 0 HA LYS A 12 16.873 0.686 3.208 1.00 0.00 H new ATOM 0 HB2 LYS A 12 18.768 1.993 4.175 1.00 0.00 H new ATOM 0 HB3 LYS A 12 17.686 3.343 4.454 1.00 0.00 H new ATOM 0 HG2 LYS A 12 16.516 2.229 6.164 1.00 0.00 H new ATOM 0 HG3 LYS A 12 17.032 0.642 5.627 1.00 0.00 H new ATOM 0 HD2 LYS A 12 19.444 1.447 6.206 1.00 0.00 H new ATOM 0 HD3 LYS A 12 18.659 2.747 7.080 1.00 0.00 H new ATOM 0 HE2 LYS A 12 18.845 1.178 8.774 1.00 0.00 H new ATOM 0 HE3 LYS A 12 17.247 0.788 8.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 18.587 -1.194 8.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 18.222 -0.966 6.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 19.770 -0.588 7.389 1.00 0.00 H new ATOM 157 N LEU A 13 15.123 3.487 3.311 1.00 0.00 N ATOM 158 CA LEU A 13 13.782 4.025 3.517 1.00 0.00 C ATOM 159 C LEU A 13 12.759 3.274 2.671 1.00 0.00 C ATOM 160 O LEU A 13 11.814 2.687 3.199 1.00 0.00 O ATOM 161 CB LEU A 13 13.750 5.515 3.173 1.00 0.00 C ATOM 162 CG LEU A 13 12.364 6.129 2.979 1.00 0.00 C ATOM 163 CD1 LEU A 13 11.593 6.133 4.291 1.00 0.00 C ATOM 164 CD2 LEU A 13 12.479 7.541 2.422 1.00 0.00 C ATOM 0 H LEU A 13 15.811 4.176 3.008 1.00 0.00 H new ATOM 0 HA LEU A 13 13.523 3.896 4.568 1.00 0.00 H new ATOM 0 HB2 LEU A 13 14.260 6.062 3.966 1.00 0.00 H new ATOM 0 HB3 LEU A 13 14.325 5.669 2.260 1.00 0.00 H new ATOM 0 HG LEU A 13 11.815 5.520 2.261 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.609 6.574 4.133 1.00 0.00 H new ATOM 0 HD12 LEU A 13 11.479 5.110 4.649 1.00 0.00 H new ATOM 0 HD13 LEU A 13 12.138 6.718 5.032 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.482 7.962 2.290 1.00 0.00 H new ATOM 0 HD22 LEU A 13 13.046 8.161 3.116 1.00 0.00 H new ATOM 0 HD23 LEU A 13 12.991 7.512 1.460 1.00 0.00 H new ATOM 176 N TRP A 14 12.954 3.296 1.358 1.00 0.00 N ATOM 177 CA TRP A 14 12.049 2.615 0.439 1.00 0.00 C ATOM 178 C TRP A 14 11.865 1.155 0.838 1.00 0.00 C ATOM 179 O TRP A 14 10.745 0.648 0.874 1.00 0.00 O ATOM 180 CB TRP A 14 12.581 2.703 -0.992 1.00 0.00 C ATOM 181 CG TRP A 14 11.898 1.762 -1.938 1.00 0.00 C ATOM 182 CD1 TRP A 14 12.158 0.432 -2.103 1.00 0.00 C ATOM 183 CD2 TRP A 14 10.842 2.082 -2.852 1.00 0.00 C ATOM 184 NE1 TRP A 14 11.329 -0.094 -3.063 1.00 0.00 N ATOM 185 CE2 TRP A 14 10.511 0.897 -3.537 1.00 0.00 C ATOM 186 CE3 TRP A 14 10.143 3.254 -3.155 1.00 0.00 C ATOM 187 CZ2 TRP A 14 9.513 0.853 -4.507 1.00 0.00 C ATOM 188 CZ3 TRP A 14 9.154 3.208 -4.118 1.00 0.00 C ATOM 189 CH2 TRP A 14 8.845 2.015 -4.785 1.00 0.00 C ATOM 0 H TRP A 14 13.731 3.778 0.905 1.00 0.00 H new ATOM 0 HA TRP A 14 11.079 3.110 0.489 1.00 0.00 H new ATOM 0 HB2 TRP A 14 12.460 3.724 -1.355 1.00 0.00 H new ATOM 0 HB3 TRP A 14 13.650 2.491 -0.988 1.00 0.00 H new ATOM 0 HD1 TRP A 14 12.906 -0.125 -1.558 1.00 0.00 H new ATOM 0 HE1 TRP A 14 11.323 -1.066 -3.373 1.00 0.00 H new ATOM 0 HE3 TRP A 14 10.372 4.178 -2.646 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 9.274 -0.066 -5.022 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 8.609 4.108 -4.361 1.00 0.00 H new ATOM 0 HH2 TRP A 14 8.065 2.012 -5.532 1.00 0.00 H new ATOM 200 N ASN A 15 12.973 0.484 1.137 1.00 0.00 N ATOM 201 CA ASN A 15 12.933 -0.919 1.533 1.00 0.00 C ATOM 202 C ASN A 15 12.120 -1.101 2.812 1.00 0.00 C ATOM 203 O ASN A 15 11.374 -2.069 2.951 1.00 0.00 O ATOM 204 CB ASN A 15 14.352 -1.454 1.737 1.00 0.00 C ATOM 205 CG ASN A 15 14.943 -2.026 0.464 1.00 0.00 C ATOM 206 OD1 ASN A 15 14.236 -2.626 -0.347 1.00 0.00 O ATOM 207 ND2 ASN A 15 16.246 -1.843 0.281 1.00 0.00 N ATOM 0 H ASN A 15 13.909 0.889 1.113 1.00 0.00 H new ATOM 0 HA ASN A 15 12.451 -1.482 0.734 1.00 0.00 H new ATOM 0 HB2 ASN A 15 14.991 -0.650 2.102 1.00 0.00 H new ATOM 0 HB3 ASN A 15 14.339 -2.225 2.507 1.00 0.00 H new ATOM 0 HD21 ASN A 15 16.699 -2.206 -0.558 1.00 0.00 H new ATOM 0 HD22 ASN A 15 16.793 -1.340 0.979 1.00 0.00 H new ATOM 214 N GLU A 16 12.272 -0.162 3.741 1.00 0.00 N ATOM 215 CA GLU A 16 11.552 -0.219 5.008 1.00 0.00 C ATOM 216 C GLU A 16 10.050 -0.066 4.787 1.00 0.00 C ATOM 217 O GLU A 16 9.260 -0.910 5.210 1.00 0.00 O ATOM 218 CB GLU A 16 12.054 0.873 5.955 1.00 0.00 C ATOM 219 CG GLU A 16 11.938 0.505 7.424 1.00 0.00 C ATOM 220 CD GLU A 16 12.149 1.694 8.342 1.00 0.00 C ATOM 221 OE1 GLU A 16 13.316 1.988 8.673 1.00 0.00 O ATOM 222 OE2 GLU A 16 11.146 2.330 8.728 1.00 0.00 O ATOM 0 H GLU A 16 12.886 0.646 3.640 1.00 0.00 H new ATOM 0 HA GLU A 16 11.738 -1.194 5.459 1.00 0.00 H new ATOM 0 HB2 GLU A 16 13.097 1.090 5.725 1.00 0.00 H new ATOM 0 HB3 GLU A 16 11.490 1.788 5.773 1.00 0.00 H new ATOM 0 HG2 GLU A 16 10.953 0.077 7.611 1.00 0.00 H new ATOM 0 HG3 GLU A 16 12.671 -0.266 7.660 1.00 0.00 H new ATOM 229 N VAL A 17 9.663 1.018 4.123 1.00 0.00 N ATOM 230 CA VAL A 17 8.256 1.283 3.845 1.00 0.00 C ATOM 231 C VAL A 17 7.653 0.188 2.973 1.00 0.00 C ATOM 232 O VAL A 17 6.530 -0.261 3.208 1.00 0.00 O ATOM 233 CB VAL A 17 8.068 2.643 3.147 1.00 0.00 C ATOM 234 CG1 VAL A 17 8.870 2.695 1.855 1.00 0.00 C ATOM 235 CG2 VAL A 17 6.594 2.905 2.880 1.00 0.00 C ATOM 0 H VAL A 17 10.304 1.727 3.767 1.00 0.00 H new ATOM 0 HA VAL A 17 7.742 1.303 4.806 1.00 0.00 H new ATOM 0 HB VAL A 17 8.439 3.426 3.808 1.00 0.00 H new ATOM 0 HG11 VAL A 17 8.725 3.663 1.375 1.00 0.00 H new ATOM 0 HG12 VAL A 17 9.928 2.555 2.078 1.00 0.00 H new ATOM 0 HG13 VAL A 17 8.532 1.904 1.185 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.480 3.870 2.386 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.195 2.120 2.238 1.00 0.00 H new ATOM 0 HG23 VAL A 17 6.049 2.913 3.824 1.00 0.00 H new ATOM 245 N THR A 18 8.405 -0.238 1.963 1.00 0.00 N ATOM 246 CA THR A 18 7.945 -1.280 1.054 1.00 0.00 C ATOM 247 C THR A 18 7.731 -2.598 1.791 1.00 0.00 C ATOM 248 O THR A 18 6.708 -3.261 1.616 1.00 0.00 O ATOM 249 CB THR A 18 8.945 -1.505 -0.096 1.00 0.00 C ATOM 250 OG1 THR A 18 10.238 -1.819 0.433 1.00 0.00 O ATOM 251 CG2 THR A 18 9.039 -0.270 -0.979 1.00 0.00 C ATOM 0 H THR A 18 9.336 0.123 1.754 1.00 0.00 H new ATOM 0 HA THR A 18 6.996 -0.940 0.639 1.00 0.00 H new ATOM 0 HB THR A 18 8.589 -2.339 -0.701 1.00 0.00 H new ATOM 0 HG1 THR A 18 10.678 -0.996 0.731 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.751 -0.452 -1.784 1.00 0.00 H new ATOM 0 HG22 THR A 18 8.059 -0.051 -1.403 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.374 0.579 -0.383 1.00 0.00 H new ATOM 259 N THR A 19 8.703 -2.973 2.617 1.00 0.00 N ATOM 260 CA THR A 19 8.622 -4.212 3.380 1.00 0.00 C ATOM 261 C THR A 19 7.400 -4.217 4.291 1.00 0.00 C ATOM 262 O THR A 19 6.619 -5.168 4.293 1.00 0.00 O ATOM 263 CB THR A 19 9.885 -4.430 4.233 1.00 0.00 C ATOM 264 OG1 THR A 19 11.043 -4.475 3.391 1.00 0.00 O ATOM 265 CG2 THR A 19 9.783 -5.721 5.031 1.00 0.00 C ATOM 0 H THR A 19 9.556 -2.436 2.774 1.00 0.00 H new ATOM 0 HA THR A 19 8.537 -5.023 2.657 1.00 0.00 H new ATOM 0 HB THR A 19 9.974 -3.596 4.930 1.00 0.00 H new ATOM 0 HG1 THR A 19 11.471 -3.594 3.377 1.00 0.00 H new ATOM 0 HG21 THR A 19 10.687 -5.853 5.626 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.918 -5.673 5.692 1.00 0.00 H new ATOM 0 HG23 THR A 19 9.672 -6.563 4.348 1.00 0.00 H new ATOM 273 N SER A 20 7.240 -3.148 5.065 1.00 0.00 N ATOM 274 CA SER A 20 6.114 -3.030 5.984 1.00 0.00 C ATOM 275 C SER A 20 4.795 -2.958 5.221 1.00 0.00 C ATOM 276 O SER A 20 3.905 -3.786 5.417 1.00 0.00 O ATOM 277 CB SER A 20 6.275 -1.790 6.865 1.00 0.00 C ATOM 278 OG SER A 20 7.170 -2.037 7.936 1.00 0.00 O ATOM 0 H SER A 20 7.876 -2.351 5.074 1.00 0.00 H new ATOM 0 HA SER A 20 6.099 -3.917 6.617 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.643 -0.959 6.264 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.304 -1.492 7.260 1.00 0.00 H new ATOM 0 HG SER A 20 7.257 -1.228 8.483 1.00 0.00 H new ATOM 284 N PHE A 21 4.677 -1.962 4.349 1.00 0.00 N ATOM 285 CA PHE A 21 3.467 -1.780 3.556 1.00 0.00 C ATOM 286 C PHE A 21 2.981 -3.112 2.991 1.00 0.00 C ATOM 287 O PHE A 21 1.803 -3.453 3.100 1.00 0.00 O ATOM 288 CB PHE A 21 3.723 -0.793 2.416 1.00 0.00 C ATOM 289 CG PHE A 21 2.646 -0.794 1.368 1.00 0.00 C ATOM 290 CD1 PHE A 21 1.522 0.004 1.510 1.00 0.00 C ATOM 291 CD2 PHE A 21 2.758 -1.594 0.242 1.00 0.00 C ATOM 292 CE1 PHE A 21 0.530 0.004 0.548 1.00 0.00 C ATOM 293 CE2 PHE A 21 1.768 -1.598 -0.723 1.00 0.00 C ATOM 294 CZ PHE A 21 0.654 -0.797 -0.571 1.00 0.00 C ATOM 0 H PHE A 21 5.404 -1.269 4.174 1.00 0.00 H new ATOM 0 HA PHE A 21 2.692 -1.378 4.209 1.00 0.00 H new ATOM 0 HB2 PHE A 21 3.815 0.211 2.830 1.00 0.00 H new ATOM 0 HB3 PHE A 21 4.677 -1.033 1.946 1.00 0.00 H new ATOM 0 HD1 PHE A 21 1.420 0.633 2.382 1.00 0.00 H new ATOM 0 HD2 PHE A 21 3.628 -2.221 0.117 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -0.342 0.630 0.671 1.00 0.00 H new ATOM 0 HE2 PHE A 21 1.866 -2.227 -1.595 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.119 -0.796 -1.325 1.00 0.00 H new ATOM 304 N ARG A 22 3.898 -3.861 2.386 1.00 0.00 N ATOM 305 CA ARG A 22 3.564 -5.154 1.802 1.00 0.00 C ATOM 306 C ARG A 22 2.704 -5.976 2.757 1.00 0.00 C ATOM 307 O ARG A 22 1.545 -6.272 2.467 1.00 0.00 O ATOM 308 CB ARG A 22 4.838 -5.925 1.454 1.00 0.00 C ATOM 309 CG ARG A 22 4.629 -7.009 0.409 1.00 0.00 C ATOM 310 CD ARG A 22 4.206 -8.323 1.047 1.00 0.00 C ATOM 311 NE ARG A 22 2.755 -8.433 1.163 1.00 0.00 N ATOM 312 CZ ARG A 22 2.110 -9.592 1.240 1.00 0.00 C ATOM 313 NH1 ARG A 22 2.784 -10.733 1.213 1.00 0.00 N ATOM 314 NH2 ARG A 22 0.787 -9.611 1.344 1.00 0.00 N ATOM 0 H ARG A 22 4.878 -3.594 2.288 1.00 0.00 H new ATOM 0 HA ARG A 22 2.995 -4.976 0.890 1.00 0.00 H new ATOM 0 HB2 ARG A 22 5.589 -5.223 1.092 1.00 0.00 H new ATOM 0 HB3 ARG A 22 5.237 -6.379 2.361 1.00 0.00 H new ATOM 0 HG2 ARG A 22 3.869 -6.688 -0.303 1.00 0.00 H new ATOM 0 HG3 ARG A 22 5.551 -7.156 -0.153 1.00 0.00 H new ATOM 0 HD2 ARG A 22 4.586 -9.154 0.452 1.00 0.00 H new ATOM 0 HD3 ARG A 22 4.656 -8.407 2.036 1.00 0.00 H new ATOM 0 HE ARG A 22 2.206 -7.573 1.186 1.00 0.00 H new ATOM 0 HH11 ARG A 22 3.801 -10.723 1.133 1.00 0.00 H new ATOM 0 HH12 ARG A 22 2.286 -11.621 1.272 1.00 0.00 H new ATOM 0 HH21 ARG A 22 0.264 -8.735 1.365 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.293 -10.501 1.403 1.00 0.00 H new ATOM 328 N ALA A 23 3.281 -6.343 3.898 1.00 0.00 N ATOM 329 CA ALA A 23 2.567 -7.129 4.896 1.00 0.00 C ATOM 330 C ALA A 23 1.455 -6.313 5.545 1.00 0.00 C ATOM 331 O ALA A 23 0.275 -6.637 5.412 1.00 0.00 O ATOM 332 CB ALA A 23 3.534 -7.642 5.953 1.00 0.00 C ATOM 0 H ALA A 23 4.240 -6.108 4.153 1.00 0.00 H new ATOM 0 HA ALA A 23 2.110 -7.981 4.393 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.988 -8.228 6.692 1.00 0.00 H new ATOM 0 HB2 ALA A 23 4.290 -8.269 5.481 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.018 -6.798 6.444 1.00 0.00 H new ATOM 338 N GLY A 24 1.838 -5.253 6.250 1.00 0.00 N ATOM 339 CA GLY A 24 0.861 -4.408 6.910 1.00 0.00 C ATOM 340 C GLY A 24 -0.339 -5.189 7.409 1.00 0.00 C ATOM 341 O GLY A 24 -0.188 -6.205 8.086 1.00 0.00 O ATOM 0 H GLY A 24 2.808 -4.965 6.376 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.334 -3.899 7.750 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.526 -3.636 6.217 1.00 0.00 H new ATOM 345 N MET A 25 -1.534 -4.713 7.074 1.00 0.00 N ATOM 346 CA MET A 25 -2.764 -5.374 7.493 1.00 0.00 C ATOM 347 C MET A 25 -3.036 -6.608 6.638 1.00 0.00 C ATOM 348 O MET A 25 -2.627 -6.693 5.480 1.00 0.00 O ATOM 349 CB MET A 25 -3.945 -4.406 7.401 1.00 0.00 C ATOM 350 CG MET A 25 -4.364 -4.091 5.975 1.00 0.00 C ATOM 351 SD MET A 25 -6.012 -3.365 5.879 1.00 0.00 S ATOM 352 CE MET A 25 -5.756 -2.110 4.626 1.00 0.00 C ATOM 0 H MET A 25 -1.676 -3.872 6.514 1.00 0.00 H new ATOM 0 HA MET A 25 -2.642 -5.690 8.529 1.00 0.00 H new ATOM 0 HB2 MET A 25 -4.795 -4.831 7.935 1.00 0.00 H new ATOM 0 HB3 MET A 25 -3.683 -3.477 7.907 1.00 0.00 H new ATOM 0 HG2 MET A 25 -3.643 -3.405 5.532 1.00 0.00 H new ATOM 0 HG3 MET A 25 -4.339 -5.006 5.383 1.00 0.00 H new ATOM 0 HE1 MET A 25 -6.173 -1.163 4.969 1.00 0.00 H new ATOM 0 HE2 MET A 25 -4.688 -1.991 4.443 1.00 0.00 H new ATOM 0 HE3 MET A 25 -6.251 -2.411 3.703 1.00 0.00 H new ATOM 362 N PRO A 26 -3.743 -7.588 7.220 1.00 0.00 N ATOM 363 CA PRO A 26 -4.086 -8.835 6.529 1.00 0.00 C ATOM 364 C PRO A 26 -5.110 -8.621 5.420 1.00 0.00 C ATOM 365 O PRO A 26 -6.030 -7.813 5.558 1.00 0.00 O ATOM 366 CB PRO A 26 -4.675 -9.706 7.641 1.00 0.00 C ATOM 367 CG PRO A 26 -5.190 -8.737 8.649 1.00 0.00 C ATOM 368 CD PRO A 26 -4.264 -7.554 8.597 1.00 0.00 C ATOM 0 HA PRO A 26 -3.222 -9.278 6.035 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -5.473 -10.345 7.263 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -3.919 -10.362 8.073 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -6.214 -8.442 8.419 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -5.202 -9.180 9.645 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -4.790 -6.622 8.804 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -3.463 -7.638 9.332 1.00 0.00 H new ATOM 376 N LEU A 27 -4.946 -9.348 4.321 1.00 0.00 N ATOM 377 CA LEU A 27 -5.858 -9.238 3.188 1.00 0.00 C ATOM 378 C LEU A 27 -7.245 -9.759 3.552 1.00 0.00 C ATOM 379 O LEU A 27 -7.388 -10.875 4.050 1.00 0.00 O ATOM 380 CB LEU A 27 -5.308 -10.014 1.989 1.00 0.00 C ATOM 381 CG LEU A 27 -5.684 -9.471 0.610 1.00 0.00 C ATOM 382 CD1 LEU A 27 -4.600 -9.799 -0.406 1.00 0.00 C ATOM 383 CD2 LEU A 27 -7.025 -10.035 0.162 1.00 0.00 C ATOM 0 H LEU A 27 -4.190 -10.020 4.190 1.00 0.00 H new ATOM 0 HA LEU A 27 -5.944 -8.184 2.923 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.221 -10.038 2.064 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.655 -11.045 2.059 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.773 -8.387 0.679 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.885 -9.405 -1.382 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.659 -9.347 -0.093 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.479 -10.880 -0.473 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.277 -9.638 -0.821 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.963 -11.122 0.109 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.797 -9.750 0.877 1.00 0.00 H new ATOM 395 N ARG A 28 -8.263 -8.943 3.298 1.00 0.00 N ATOM 396 CA ARG A 28 -9.638 -9.321 3.598 1.00 0.00 C ATOM 397 C ARG A 28 -10.502 -9.272 2.341 1.00 0.00 C ATOM 398 O ARG A 28 -10.030 -8.909 1.264 1.00 0.00 O ATOM 399 CB ARG A 28 -10.222 -8.396 4.667 1.00 0.00 C ATOM 400 CG ARG A 28 -9.769 -8.734 6.078 1.00 0.00 C ATOM 401 CD ARG A 28 -9.855 -7.524 6.996 1.00 0.00 C ATOM 402 NE ARG A 28 -9.286 -7.795 8.313 1.00 0.00 N ATOM 403 CZ ARG A 28 -9.933 -8.444 9.274 1.00 0.00 C ATOM 404 NH1 ARG A 28 -11.166 -8.887 9.065 1.00 0.00 N ATOM 405 NH2 ARG A 28 -9.348 -8.652 10.447 1.00 0.00 N ATOM 0 H ARG A 28 -8.161 -8.016 2.885 1.00 0.00 H new ATOM 0 HA ARG A 28 -9.633 -10.344 3.975 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -9.939 -7.368 4.440 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -11.310 -8.444 4.622 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -10.387 -9.539 6.476 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -8.743 -9.101 6.054 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -9.330 -6.685 6.540 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -10.898 -7.226 7.106 1.00 0.00 H new ATOM 0 HE ARG A 28 -8.339 -7.468 8.506 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -11.619 -8.729 8.165 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -11.661 -9.385 9.805 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -8.400 -8.313 10.611 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -9.846 -9.151 11.184 1.00 0.00 H new ATOM 419 N LYS A 29 -11.770 -9.641 2.486 1.00 0.00 N ATOM 420 CA LYS A 29 -12.701 -9.640 1.364 1.00 0.00 C ATOM 421 C LYS A 29 -13.820 -8.627 1.588 1.00 0.00 C ATOM 422 O LYS A 29 -14.119 -8.257 2.724 1.00 0.00 O ATOM 423 CB LYS A 29 -13.295 -11.036 1.166 1.00 0.00 C ATOM 424 CG LYS A 29 -14.331 -11.411 2.211 1.00 0.00 C ATOM 425 CD LYS A 29 -13.696 -12.114 3.399 1.00 0.00 C ATOM 426 CE LYS A 29 -14.747 -12.731 4.309 1.00 0.00 C ATOM 427 NZ LYS A 29 -15.564 -11.692 4.995 1.00 0.00 N ATOM 0 H LYS A 29 -12.177 -9.945 3.371 1.00 0.00 H new ATOM 0 HA LYS A 29 -12.151 -9.356 0.467 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -13.752 -11.090 0.178 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -12.490 -11.770 1.185 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -14.847 -10.513 2.552 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -15.083 -12.060 1.762 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.019 -12.891 3.044 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -13.095 -11.403 3.966 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -15.400 -13.378 3.723 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -14.259 -13.360 5.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -16.269 -12.152 5.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -14.945 -11.090 5.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -16.050 -11.108 4.285 1.00 0.00 H new ATOM 441 N HIS A 30 -14.437 -8.184 0.497 1.00 0.00 N ATOM 442 CA HIS A 30 -15.525 -7.215 0.574 1.00 0.00 C ATOM 443 C HIS A 30 -16.857 -7.864 0.211 1.00 0.00 C ATOM 444 O HIS A 30 -16.900 -9.017 -0.218 1.00 0.00 O ATOM 445 CB HIS A 30 -15.250 -6.032 -0.355 1.00 0.00 C ATOM 446 CG HIS A 30 -14.075 -5.203 0.062 1.00 0.00 C ATOM 447 ND1 HIS A 30 -14.159 -4.196 1.000 1.00 0.00 N ATOM 448 CD2 HIS A 30 -12.781 -5.238 -0.335 1.00 0.00 C ATOM 449 CE1 HIS A 30 -12.969 -3.646 1.160 1.00 0.00 C ATOM 450 NE2 HIS A 30 -12.115 -4.260 0.362 1.00 0.00 N ATOM 0 H HIS A 30 -14.202 -8.480 -0.450 1.00 0.00 H new ATOM 0 HA HIS A 30 -15.585 -6.854 1.601 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -15.080 -6.406 -1.365 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -16.136 -5.398 -0.394 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -12.352 -5.910 -1.064 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -12.734 -2.832 1.830 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -11.122 -4.043 0.277 1.00 0.00 H new ATOM 458 N ARG A 31 -17.941 -7.116 0.386 1.00 0.00 N ATOM 459 CA ARG A 31 -19.275 -7.620 0.078 1.00 0.00 C ATOM 460 C ARG A 31 -19.572 -7.494 -1.413 1.00 0.00 C ATOM 461 O ARG A 31 -19.730 -6.390 -1.933 1.00 0.00 O ATOM 462 CB ARG A 31 -20.329 -6.859 0.885 1.00 0.00 C ATOM 463 CG ARG A 31 -20.176 -5.349 0.817 1.00 0.00 C ATOM 464 CD ARG A 31 -21.372 -4.639 1.432 1.00 0.00 C ATOM 465 NE ARG A 31 -21.431 -4.820 2.880 1.00 0.00 N ATOM 466 CZ ARG A 31 -22.024 -3.964 3.704 1.00 0.00 C ATOM 467 NH1 ARG A 31 -22.606 -2.873 3.225 1.00 0.00 N ATOM 468 NH2 ARG A 31 -22.036 -4.198 5.010 1.00 0.00 N ATOM 0 H ARG A 31 -17.923 -6.159 0.739 1.00 0.00 H new ATOM 0 HA ARG A 31 -19.310 -8.675 0.350 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -21.320 -7.132 0.521 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -20.274 -7.175 1.927 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -19.267 -5.051 1.339 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -20.063 -5.040 -0.222 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -21.320 -3.575 1.202 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -22.289 -5.018 0.982 1.00 0.00 H new ATOM 0 HE ARG A 31 -20.993 -5.649 3.280 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -22.599 -2.690 2.222 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -23.061 -2.217 3.860 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -21.589 -5.036 5.382 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -22.492 -3.540 5.642 1.00 0.00 H new ATOM 482 N GLN A 32 -19.647 -8.633 -2.094 1.00 0.00 N ATOM 483 CA GLN A 32 -19.925 -8.650 -3.525 1.00 0.00 C ATOM 484 C GLN A 32 -20.919 -9.753 -3.874 1.00 0.00 C ATOM 485 O GLN A 32 -20.759 -10.901 -3.459 1.00 0.00 O ATOM 486 CB GLN A 32 -18.630 -8.846 -4.315 1.00 0.00 C ATOM 487 CG GLN A 32 -17.976 -10.199 -4.084 1.00 0.00 C ATOM 488 CD GLN A 32 -17.412 -10.344 -2.684 1.00 0.00 C ATOM 489 OE1 GLN A 32 -16.320 -9.859 -2.389 1.00 0.00 O ATOM 490 NE2 GLN A 32 -18.157 -11.014 -1.813 1.00 0.00 N ATOM 0 H GLN A 32 -19.519 -9.555 -1.678 1.00 0.00 H new ATOM 0 HA GLN A 32 -20.366 -7.690 -3.795 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -18.842 -8.731 -5.378 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -17.926 -8.060 -4.043 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -18.708 -10.987 -4.260 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -17.176 -10.340 -4.810 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -19.056 -11.399 -2.101 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -17.830 -11.144 -0.856 1.00 0.00 H new ATOM 499 N HIS A 33 -21.946 -9.397 -4.639 1.00 0.00 N ATOM 500 CA HIS A 33 -22.967 -10.357 -5.044 1.00 0.00 C ATOM 501 C HIS A 33 -22.355 -11.486 -5.867 1.00 0.00 C ATOM 502 O HIS A 33 -22.313 -12.636 -5.429 1.00 0.00 O ATOM 503 CB HIS A 33 -24.063 -9.658 -5.850 1.00 0.00 C ATOM 504 CG HIS A 33 -24.593 -8.421 -5.193 1.00 0.00 C ATOM 505 ND1 HIS A 33 -25.175 -8.423 -3.943 1.00 0.00 N ATOM 506 CD2 HIS A 33 -24.625 -7.137 -5.620 1.00 0.00 C ATOM 507 CE1 HIS A 33 -25.544 -7.194 -3.630 1.00 0.00 C ATOM 508 NE2 HIS A 33 -25.221 -6.394 -4.630 1.00 0.00 N ATOM 0 H HIS A 33 -22.093 -8.451 -4.991 1.00 0.00 H new ATOM 0 HA HIS A 33 -23.406 -10.785 -4.143 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -23.670 -9.398 -6.833 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -24.885 -10.355 -6.010 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -24.252 -6.766 -6.563 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -26.028 -6.894 -2.712 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -25.387 -5.388 -4.662 1.00 0.00 H new ATOM 516 N PHE A 34 -21.881 -11.150 -7.063 1.00 0.00 N ATOM 517 CA PHE A 34 -21.273 -12.136 -7.948 1.00 0.00 C ATOM 518 C PHE A 34 -19.751 -12.099 -7.840 1.00 0.00 C ATOM 519 O PHE A 34 -19.150 -11.028 -7.751 1.00 0.00 O ATOM 520 CB PHE A 34 -21.699 -11.885 -9.396 1.00 0.00 C ATOM 521 CG PHE A 34 -20.866 -12.625 -10.404 1.00 0.00 C ATOM 522 CD1 PHE A 34 -20.822 -14.010 -10.403 1.00 0.00 C ATOM 523 CD2 PHE A 34 -20.127 -11.935 -11.352 1.00 0.00 C ATOM 524 CE1 PHE A 34 -20.056 -14.693 -11.328 1.00 0.00 C ATOM 525 CE2 PHE A 34 -19.359 -12.613 -12.280 1.00 0.00 C ATOM 526 CZ PHE A 34 -19.325 -13.994 -12.268 1.00 0.00 C ATOM 0 H PHE A 34 -21.907 -10.203 -7.441 1.00 0.00 H new ATOM 0 HA PHE A 34 -21.618 -13.124 -7.641 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -22.743 -12.177 -9.515 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -21.641 -10.816 -9.603 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -21.393 -14.562 -9.671 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -20.151 -10.855 -11.366 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -20.029 -15.773 -11.316 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -18.787 -12.064 -13.013 1.00 0.00 H new ATOM 0 HZ PHE A 34 -18.727 -14.526 -12.993 1.00 0.00 H new ATOM 536 N LYS A 35 -19.134 -13.276 -7.849 1.00 0.00 N ATOM 537 CA LYS A 35 -17.683 -13.380 -7.752 1.00 0.00 C ATOM 538 C LYS A 35 -17.004 -12.498 -8.795 1.00 0.00 C ATOM 539 O LYS A 35 -16.930 -12.853 -9.971 1.00 0.00 O ATOM 540 CB LYS A 35 -17.243 -14.834 -7.935 1.00 0.00 C ATOM 541 CG LYS A 35 -15.736 -15.021 -7.906 1.00 0.00 C ATOM 542 CD LYS A 35 -15.165 -14.740 -6.526 1.00 0.00 C ATOM 543 CE LYS A 35 -15.275 -15.956 -5.619 1.00 0.00 C ATOM 544 NZ LYS A 35 -14.246 -16.984 -5.942 1.00 0.00 N ATOM 0 H LYS A 35 -19.617 -14.172 -7.923 1.00 0.00 H new ATOM 0 HA LYS A 35 -17.384 -13.038 -6.761 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -17.691 -15.442 -7.149 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -17.629 -15.205 -8.885 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -15.489 -16.041 -8.202 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -15.272 -14.356 -8.635 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -14.119 -14.446 -6.617 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -15.694 -13.900 -6.076 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -15.164 -15.645 -4.580 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -16.269 -16.393 -5.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -14.265 -17.733 -5.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -14.449 -17.397 -6.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -13.305 -16.541 -5.956 1.00 0.00 H new ATOM 558 N LYS A 36 -16.507 -11.346 -8.356 1.00 0.00 N ATOM 559 CA LYS A 36 -15.831 -10.414 -9.249 1.00 0.00 C ATOM 560 C LYS A 36 -14.378 -10.214 -8.829 1.00 0.00 C ATOM 561 O LYS A 36 -13.488 -10.100 -9.673 1.00 0.00 O ATOM 562 CB LYS A 36 -16.559 -9.068 -9.261 1.00 0.00 C ATOM 563 CG LYS A 36 -17.752 -9.030 -10.201 1.00 0.00 C ATOM 564 CD LYS A 36 -17.350 -8.572 -11.593 1.00 0.00 C ATOM 565 CE LYS A 36 -18.480 -8.767 -12.592 1.00 0.00 C ATOM 566 NZ LYS A 36 -19.596 -7.807 -12.362 1.00 0.00 N ATOM 0 H LYS A 36 -16.560 -11.036 -7.386 1.00 0.00 H new ATOM 0 HA LYS A 36 -15.846 -10.837 -10.253 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -16.896 -8.838 -8.250 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -15.856 -8.287 -9.548 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -18.203 -10.021 -10.259 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -18.511 -8.358 -9.801 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -17.067 -7.520 -11.563 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -16.473 -9.129 -11.921 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -18.096 -8.641 -13.604 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -18.857 -9.787 -12.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -20.346 -7.972 -13.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -19.980 -7.944 -11.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -19.242 -6.834 -12.457 1.00 0.00 H new ATOM 580 N TYR A 37 -14.145 -10.175 -7.522 1.00 0.00 N ATOM 581 CA TYR A 37 -12.800 -9.988 -6.991 1.00 0.00 C ATOM 582 C TYR A 37 -12.531 -10.951 -5.839 1.00 0.00 C ATOM 583 O TYR A 37 -13.449 -11.360 -5.129 1.00 0.00 O ATOM 584 CB TYR A 37 -12.612 -8.545 -6.519 1.00 0.00 C ATOM 585 CG TYR A 37 -13.894 -7.883 -6.067 1.00 0.00 C ATOM 586 CD1 TYR A 37 -14.726 -7.243 -6.977 1.00 0.00 C ATOM 587 CD2 TYR A 37 -14.272 -7.897 -4.731 1.00 0.00 C ATOM 588 CE1 TYR A 37 -15.898 -6.637 -6.569 1.00 0.00 C ATOM 589 CE2 TYR A 37 -15.443 -7.294 -4.314 1.00 0.00 C ATOM 590 CZ TYR A 37 -16.253 -6.665 -5.237 1.00 0.00 C ATOM 591 OH TYR A 37 -17.419 -6.062 -4.825 1.00 0.00 O ATOM 0 H TYR A 37 -14.870 -10.270 -6.811 1.00 0.00 H new ATOM 0 HA TYR A 37 -12.088 -10.198 -7.790 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -11.896 -8.531 -5.697 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -12.177 -7.960 -7.330 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -14.452 -7.219 -8.021 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -13.640 -8.388 -4.006 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -16.533 -6.144 -7.290 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -15.723 -7.315 -3.271 1.00 0.00 H new ATOM 0 HH TYR A 37 -18.077 -6.092 -5.551 1.00 0.00 H new ATOM 601 N GLY A 38 -11.263 -11.310 -5.660 1.00 0.00 N ATOM 602 CA GLY A 38 -10.894 -12.222 -4.593 1.00 0.00 C ATOM 603 C GLY A 38 -9.977 -11.578 -3.572 1.00 0.00 C ATOM 604 O GLY A 38 -10.441 -10.941 -2.627 1.00 0.00 O ATOM 0 H GLY A 38 -10.485 -10.986 -6.235 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -11.796 -12.577 -4.094 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -10.401 -13.095 -5.020 1.00 0.00 H new ATOM 608 N ASN A 39 -8.673 -11.746 -3.761 1.00 0.00 N ATOM 609 CA ASN A 39 -7.689 -11.178 -2.846 1.00 0.00 C ATOM 610 C ASN A 39 -7.399 -9.721 -3.194 1.00 0.00 C ATOM 611 O ASN A 39 -6.389 -9.160 -2.770 1.00 0.00 O ATOM 612 CB ASN A 39 -6.393 -11.991 -2.889 1.00 0.00 C ATOM 613 CG ASN A 39 -6.518 -13.316 -2.163 1.00 0.00 C ATOM 614 OD1 ASN A 39 -7.281 -14.192 -2.572 1.00 0.00 O ATOM 615 ND2 ASN A 39 -5.767 -13.470 -1.078 1.00 0.00 N ATOM 0 H ASN A 39 -8.273 -12.270 -4.539 1.00 0.00 H new ATOM 0 HA ASN A 39 -8.102 -11.217 -1.838 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -6.116 -12.173 -3.927 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -5.587 -11.409 -2.442 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -5.809 -14.341 -0.548 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -5.149 -12.718 -0.775 1.00 0.00 H new ATOM 622 N CYS A 40 -8.293 -9.115 -3.968 1.00 0.00 N ATOM 623 CA CYS A 40 -8.134 -7.723 -4.374 1.00 0.00 C ATOM 624 C CYS A 40 -8.709 -6.781 -3.321 1.00 0.00 C ATOM 625 O CYS A 40 -9.702 -7.097 -2.667 1.00 0.00 O ATOM 626 CB CYS A 40 -8.819 -7.482 -5.720 1.00 0.00 C ATOM 627 SG CYS A 40 -8.376 -8.681 -6.999 1.00 0.00 S ATOM 0 H CYS A 40 -9.135 -9.566 -4.327 1.00 0.00 H new ATOM 0 HA CYS A 40 -7.068 -7.519 -4.475 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -9.899 -7.504 -5.575 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -8.565 -6.482 -6.071 1.00 0.00 H new ATOM 0 HG CYS A 40 -8.153 -8.059 -8.118 1.00 0.00 H new ATOM 633 N PHE A 41 -8.075 -5.624 -3.162 1.00 0.00 N ATOM 634 CA PHE A 41 -8.522 -4.636 -2.187 1.00 0.00 C ATOM 635 C PHE A 41 -8.532 -3.237 -2.795 1.00 0.00 C ATOM 636 O PHE A 41 -7.601 -2.846 -3.500 1.00 0.00 O ATOM 637 CB PHE A 41 -7.617 -4.661 -0.953 1.00 0.00 C ATOM 638 CG PHE A 41 -6.153 -4.715 -1.285 1.00 0.00 C ATOM 639 CD1 PHE A 41 -5.485 -3.581 -1.715 1.00 0.00 C ATOM 640 CD2 PHE A 41 -5.445 -5.900 -1.166 1.00 0.00 C ATOM 641 CE1 PHE A 41 -4.137 -3.626 -2.021 1.00 0.00 C ATOM 642 CE2 PHE A 41 -4.098 -5.952 -1.469 1.00 0.00 C ATOM 643 CZ PHE A 41 -3.443 -4.814 -1.899 1.00 0.00 C ATOM 0 H PHE A 41 -7.251 -5.348 -3.695 1.00 0.00 H new ATOM 0 HA PHE A 41 -9.539 -4.891 -1.889 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -7.812 -3.774 -0.351 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -7.875 -5.525 -0.341 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -6.023 -2.650 -1.813 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -5.952 -6.793 -0.833 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -3.628 -2.734 -2.355 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -3.557 -6.882 -1.370 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.391 -4.853 -2.139 1.00 0.00 H new ATOM 653 N THR A 42 -9.593 -2.485 -2.517 1.00 0.00 N ATOM 654 CA THR A 42 -9.727 -1.130 -3.038 1.00 0.00 C ATOM 655 C THR A 42 -8.544 -0.263 -2.623 1.00 0.00 C ATOM 656 O THR A 42 -8.001 -0.418 -1.530 1.00 0.00 O ATOM 657 CB THR A 42 -11.030 -0.468 -2.551 1.00 0.00 C ATOM 658 OG1 THR A 42 -11.160 -0.626 -1.134 1.00 0.00 O ATOM 659 CG2 THR A 42 -12.238 -1.075 -3.248 1.00 0.00 C ATOM 0 H THR A 42 -10.372 -2.792 -1.934 1.00 0.00 H new ATOM 0 HA THR A 42 -9.753 -1.209 -4.125 1.00 0.00 H new ATOM 0 HB THR A 42 -10.986 0.594 -2.794 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.990 -0.201 -0.832 1.00 0.00 H new ATOM 0 HG21 THR A 42 -13.146 -0.592 -2.888 1.00 0.00 H new ATOM 0 HG22 THR A 42 -12.150 -0.926 -4.324 1.00 0.00 H new ATOM 0 HG23 THR A 42 -12.285 -2.142 -3.032 1.00 0.00 H new ATOM 667 N ALA A 43 -8.149 0.652 -3.504 1.00 0.00 N ATOM 668 CA ALA A 43 -7.032 1.546 -3.228 1.00 0.00 C ATOM 669 C ALA A 43 -7.302 2.397 -1.992 1.00 0.00 C ATOM 670 O ALA A 43 -6.467 2.488 -1.094 1.00 0.00 O ATOM 671 CB ALA A 43 -6.756 2.434 -4.432 1.00 0.00 C ATOM 0 H ALA A 43 -8.587 0.793 -4.415 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.151 0.935 -3.031 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.919 3.097 -4.211 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.510 1.813 -5.293 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.641 3.030 -4.655 1.00 0.00 H new ATOM 677 N GLY A 44 -8.476 3.020 -1.953 1.00 0.00 N ATOM 678 CA GLY A 44 -8.835 3.857 -0.823 1.00 0.00 C ATOM 679 C GLY A 44 -8.394 3.264 0.501 1.00 0.00 C ATOM 680 O GLY A 44 -7.776 3.946 1.317 1.00 0.00 O ATOM 0 H GLY A 44 -9.185 2.960 -2.684 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.383 4.841 -0.946 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -9.915 4.002 -0.811 1.00 0.00 H new ATOM 684 N GLU A 45 -8.714 1.991 0.713 1.00 0.00 N ATOM 685 CA GLU A 45 -8.349 1.308 1.949 1.00 0.00 C ATOM 686 C GLU A 45 -6.835 1.306 2.141 1.00 0.00 C ATOM 687 O GLU A 45 -6.339 1.542 3.242 1.00 0.00 O ATOM 688 CB GLU A 45 -8.875 -0.128 1.938 1.00 0.00 C ATOM 689 CG GLU A 45 -8.435 -0.946 3.141 1.00 0.00 C ATOM 690 CD GLU A 45 -9.201 -0.591 4.400 1.00 0.00 C ATOM 691 OE1 GLU A 45 -8.851 0.421 5.043 1.00 0.00 O ATOM 692 OE2 GLU A 45 -10.151 -1.326 4.743 1.00 0.00 O ATOM 0 H GLU A 45 -9.225 1.413 0.046 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.803 1.847 2.781 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.964 -0.107 1.902 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.536 -0.623 1.028 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.571 -2.006 2.924 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.370 -0.790 3.312 1.00 0.00 H new ATOM 699 N ALA A 46 -6.107 1.037 1.062 1.00 0.00 N ATOM 700 CA ALA A 46 -4.651 1.005 1.111 1.00 0.00 C ATOM 701 C ALA A 46 -4.084 2.369 1.492 1.00 0.00 C ATOM 702 O ALA A 46 -3.146 2.464 2.284 1.00 0.00 O ATOM 703 CB ALA A 46 -4.088 0.552 -0.228 1.00 0.00 C ATOM 0 H ALA A 46 -6.502 0.838 0.143 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.353 0.290 1.878 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.999 0.533 -0.177 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.458 -0.447 -0.459 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.403 1.245 -1.008 1.00 0.00 H new ATOM 709 N VAL A 47 -4.660 3.423 0.923 1.00 0.00 N ATOM 710 CA VAL A 47 -4.212 4.782 1.203 1.00 0.00 C ATOM 711 C VAL A 47 -4.059 5.012 2.702 1.00 0.00 C ATOM 712 O VAL A 47 -3.092 5.630 3.150 1.00 0.00 O ATOM 713 CB VAL A 47 -5.192 5.825 0.632 1.00 0.00 C ATOM 714 CG1 VAL A 47 -4.748 7.232 1.000 1.00 0.00 C ATOM 715 CG2 VAL A 47 -5.312 5.672 -0.876 1.00 0.00 C ATOM 0 H VAL A 47 -5.438 3.362 0.266 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.243 4.902 0.719 1.00 0.00 H new ATOM 0 HB VAL A 47 -6.175 5.654 1.071 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -5.452 7.955 0.588 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.718 7.332 2.085 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.755 7.419 0.591 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -6.008 6.416 -1.263 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -4.334 5.816 -1.335 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.680 4.674 -1.112 1.00 0.00 H new ATOM 725 N ASP A 48 -5.017 4.511 3.473 1.00 0.00 N ATOM 726 CA ASP A 48 -4.989 4.660 4.923 1.00 0.00 C ATOM 727 C ASP A 48 -3.848 3.849 5.530 1.00 0.00 C ATOM 728 O ASP A 48 -2.996 4.389 6.236 1.00 0.00 O ATOM 729 CB ASP A 48 -6.323 4.221 5.529 1.00 0.00 C ATOM 730 CG ASP A 48 -6.417 4.534 7.009 1.00 0.00 C ATOM 731 OD1 ASP A 48 -6.021 5.650 7.407 1.00 0.00 O ATOM 732 OD2 ASP A 48 -6.888 3.664 7.771 1.00 0.00 O ATOM 0 H ASP A 48 -5.824 3.998 3.118 1.00 0.00 H new ATOM 0 HA ASP A 48 -4.825 5.713 5.152 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -7.139 4.717 5.003 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -6.452 3.149 5.378 1.00 0.00 H new ATOM 737 N TRP A 49 -3.840 2.550 5.252 1.00 0.00 N ATOM 738 CA TRP A 49 -2.805 1.664 5.772 1.00 0.00 C ATOM 739 C TRP A 49 -1.426 2.300 5.639 1.00 0.00 C ATOM 740 O TRP A 49 -0.688 2.418 6.618 1.00 0.00 O ATOM 741 CB TRP A 49 -2.836 0.323 5.036 1.00 0.00 C ATOM 742 CG TRP A 49 -1.508 -0.372 5.013 1.00 0.00 C ATOM 743 CD1 TRP A 49 -0.940 -1.018 3.952 1.00 0.00 C ATOM 744 CD2 TRP A 49 -0.584 -0.491 6.100 1.00 0.00 C ATOM 745 NE1 TRP A 49 0.282 -1.532 4.314 1.00 0.00 N ATOM 746 CE2 TRP A 49 0.524 -1.222 5.627 1.00 0.00 C ATOM 747 CE3 TRP A 49 -0.583 -0.050 7.426 1.00 0.00 C ATOM 748 CZ2 TRP A 49 1.618 -1.521 6.434 1.00 0.00 C ATOM 749 CZ3 TRP A 49 0.503 -0.349 8.226 1.00 0.00 C ATOM 750 CH2 TRP A 49 1.592 -1.077 7.728 1.00 0.00 C ATOM 0 H TRP A 49 -4.538 2.087 4.670 1.00 0.00 H new ATOM 0 HA TRP A 49 -3.005 1.494 6.830 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -3.570 -0.327 5.511 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -3.170 0.486 4.012 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -1.386 -1.111 2.973 1.00 0.00 H new ATOM 0 HE1 TRP A 49 0.908 -2.059 3.704 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -1.416 0.514 7.818 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 2.457 -2.083 6.052 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 0.513 -0.016 9.253 1.00 0.00 H new ATOM 0 HH2 TRP A 49 2.427 -1.292 8.378 1.00 0.00 H new ATOM 761 N LEU A 50 -1.084 2.709 4.422 1.00 0.00 N ATOM 762 CA LEU A 50 0.208 3.334 4.161 1.00 0.00 C ATOM 763 C LEU A 50 0.312 4.684 4.864 1.00 0.00 C ATOM 764 O LEU A 50 1.180 4.887 5.714 1.00 0.00 O ATOM 765 CB LEU A 50 0.415 3.513 2.656 1.00 0.00 C ATOM 766 CG LEU A 50 1.791 4.023 2.223 1.00 0.00 C ATOM 767 CD1 LEU A 50 2.861 2.981 2.512 1.00 0.00 C ATOM 768 CD2 LEU A 50 1.784 4.388 0.746 1.00 0.00 C ATOM 0 H LEU A 50 -1.683 2.619 3.601 1.00 0.00 H new ATOM 0 HA LEU A 50 0.986 2.680 4.554 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.235 2.555 2.168 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.340 4.206 2.286 1.00 0.00 H new ATOM 0 HG LEU A 50 2.022 4.920 2.797 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.833 3.361 2.198 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.883 2.769 3.581 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.635 2.066 1.965 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.771 4.749 0.456 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.531 3.508 0.155 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.045 5.169 0.568 1.00 0.00 H new ATOM 780 N TYR A 51 -0.578 5.602 4.506 1.00 0.00 N ATOM 781 CA TYR A 51 -0.587 6.932 5.102 1.00 0.00 C ATOM 782 C TYR A 51 -0.218 6.869 6.581 1.00 0.00 C ATOM 783 O TYR A 51 0.620 7.635 7.057 1.00 0.00 O ATOM 784 CB TYR A 51 -1.963 7.580 4.936 1.00 0.00 C ATOM 785 CG TYR A 51 -2.093 8.913 5.637 1.00 0.00 C ATOM 786 CD1 TYR A 51 -2.374 8.982 6.996 1.00 0.00 C ATOM 787 CD2 TYR A 51 -1.935 10.105 4.940 1.00 0.00 C ATOM 788 CE1 TYR A 51 -2.494 10.198 7.640 1.00 0.00 C ATOM 789 CE2 TYR A 51 -2.052 11.325 5.576 1.00 0.00 C ATOM 790 CZ TYR A 51 -2.333 11.367 6.926 1.00 0.00 C ATOM 791 OH TYR A 51 -2.451 12.580 7.564 1.00 0.00 O ATOM 0 H TYR A 51 -1.303 5.449 3.805 1.00 0.00 H new ATOM 0 HA TYR A 51 0.157 7.538 4.585 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.165 7.716 3.874 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -2.724 6.901 5.321 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -2.501 8.069 7.559 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -1.717 10.077 3.883 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -2.713 10.233 8.697 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -1.924 12.242 5.019 1.00 0.00 H new ATOM 0 HH TYR A 51 -2.308 13.304 6.919 1.00 0.00 H new ATOM 801 N ASP A 52 -0.848 5.949 7.302 1.00 0.00 N ATOM 802 CA ASP A 52 -0.586 5.782 8.727 1.00 0.00 C ATOM 803 C ASP A 52 0.888 5.481 8.977 1.00 0.00 C ATOM 804 O ASP A 52 1.521 6.095 9.837 1.00 0.00 O ATOM 805 CB ASP A 52 -1.453 4.659 9.299 1.00 0.00 C ATOM 806 CG ASP A 52 -1.171 4.401 10.766 1.00 0.00 C ATOM 807 OD1 ASP A 52 0.010 4.195 11.116 1.00 0.00 O ATOM 808 OD2 ASP A 52 -2.132 4.403 11.565 1.00 0.00 O ATOM 0 H ASP A 52 -1.544 5.307 6.923 1.00 0.00 H new ATOM 0 HA ASP A 52 -0.838 6.716 9.229 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.505 4.916 9.174 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -1.279 3.745 8.732 1.00 0.00 H new ATOM 813 N LEU A 53 1.430 4.533 8.220 1.00 0.00 N ATOM 814 CA LEU A 53 2.830 4.149 8.359 1.00 0.00 C ATOM 815 C LEU A 53 3.751 5.317 8.022 1.00 0.00 C ATOM 816 O LEU A 53 4.741 5.561 8.713 1.00 0.00 O ATOM 817 CB LEU A 53 3.146 2.958 7.453 1.00 0.00 C ATOM 818 CG LEU A 53 4.372 2.129 7.837 1.00 0.00 C ATOM 819 CD1 LEU A 53 3.983 1.011 8.791 1.00 0.00 C ATOM 820 CD2 LEU A 53 5.043 1.563 6.594 1.00 0.00 C ATOM 0 H LEU A 53 0.921 4.016 7.503 1.00 0.00 H new ATOM 0 HA LEU A 53 3.001 3.863 9.397 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.278 2.299 7.436 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.286 3.327 6.437 1.00 0.00 H new ATOM 0 HG LEU A 53 5.083 2.781 8.345 1.00 0.00 H new ATOM 0 HD11 LEU A 53 4.868 0.432 9.053 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.548 1.438 9.695 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.253 0.360 8.310 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.914 0.976 6.886 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.339 0.926 6.058 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.358 2.381 5.946 1.00 0.00 H new ATOM 832 N LEU A 54 3.418 6.038 6.957 1.00 0.00 N ATOM 833 CA LEU A 54 4.213 7.184 6.529 1.00 0.00 C ATOM 834 C LEU A 54 4.252 8.256 7.613 1.00 0.00 C ATOM 835 O LEU A 54 5.323 8.645 8.077 1.00 0.00 O ATOM 836 CB LEU A 54 3.644 7.770 5.235 1.00 0.00 C ATOM 837 CG LEU A 54 3.528 6.804 4.055 1.00 0.00 C ATOM 838 CD1 LEU A 54 2.820 7.473 2.887 1.00 0.00 C ATOM 839 CD2 LEU A 54 4.903 6.308 3.635 1.00 0.00 C ATOM 0 H LEU A 54 2.603 5.849 6.374 1.00 0.00 H new ATOM 0 HA LEU A 54 5.232 6.841 6.348 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.654 8.174 5.447 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.272 8.608 4.932 1.00 0.00 H new ATOM 0 HG LEU A 54 2.935 5.945 4.369 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.746 6.771 2.056 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.820 7.778 3.194 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.386 8.350 2.572 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.801 5.622 2.794 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.521 7.156 3.339 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.374 5.790 4.471 1.00 0.00 H new ATOM 851 N ARG A 55 3.076 8.729 8.012 1.00 0.00 N ATOM 852 CA ARG A 55 2.975 9.755 9.042 1.00 0.00 C ATOM 853 C ARG A 55 3.733 9.340 10.300 1.00 0.00 C ATOM 854 O ARG A 55 4.394 10.159 10.937 1.00 0.00 O ATOM 855 CB ARG A 55 1.508 10.024 9.384 1.00 0.00 C ATOM 856 CG ARG A 55 0.797 8.829 9.998 1.00 0.00 C ATOM 857 CD ARG A 55 -0.582 9.207 10.515 1.00 0.00 C ATOM 858 NE ARG A 55 -1.094 8.230 11.473 1.00 0.00 N ATOM 859 CZ ARG A 55 -2.215 8.397 12.166 1.00 0.00 C ATOM 860 NH1 ARG A 55 -2.937 9.497 12.007 1.00 0.00 N ATOM 861 NH2 ARG A 55 -2.615 7.463 13.018 1.00 0.00 N ATOM 0 H ARG A 55 2.180 8.418 7.637 1.00 0.00 H new ATOM 0 HA ARG A 55 3.424 10.669 8.653 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.453 10.864 10.077 1.00 0.00 H new ATOM 0 HB3 ARG A 55 0.981 10.323 8.478 1.00 0.00 H new ATOM 0 HG2 ARG A 55 0.704 8.038 9.254 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.396 8.428 10.816 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -0.536 10.188 10.988 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -1.274 9.289 9.676 1.00 0.00 H new ATOM 0 HE ARG A 55 -0.561 7.372 11.618 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -2.632 10.217 11.352 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -3.797 9.624 12.540 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -2.062 6.615 13.142 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -3.476 7.592 13.549 1.00 0.00 H new ATOM 875 N ASN A 56 3.631 8.062 10.651 1.00 0.00 N ATOM 876 CA ASN A 56 4.306 7.538 11.833 1.00 0.00 C ATOM 877 C ASN A 56 5.813 7.761 11.743 1.00 0.00 C ATOM 878 O ASN A 56 6.425 8.308 12.659 1.00 0.00 O ATOM 879 CB ASN A 56 4.009 6.046 11.996 1.00 0.00 C ATOM 880 CG ASN A 56 4.817 5.414 13.113 1.00 0.00 C ATOM 881 OD1 ASN A 56 4.290 5.120 14.186 1.00 0.00 O ATOM 882 ND2 ASN A 56 6.105 5.203 12.864 1.00 0.00 N ATOM 0 H ASN A 56 3.088 7.371 10.134 1.00 0.00 H new ATOM 0 HA ASN A 56 3.929 8.074 12.704 1.00 0.00 H new ATOM 0 HB2 ASN A 56 2.947 5.910 12.198 1.00 0.00 H new ATOM 0 HB3 ASN A 56 4.224 5.531 11.060 1.00 0.00 H new ATOM 0 HD21 ASN A 56 6.700 4.781 13.577 1.00 0.00 H new ATOM 0 HD22 ASN A 56 6.499 5.463 11.960 1.00 0.00 H new ATOM 889 N ASN A 57 6.403 7.333 10.631 1.00 0.00 N ATOM 890 CA ASN A 57 7.838 7.486 10.421 1.00 0.00 C ATOM 891 C ASN A 57 8.242 8.957 10.474 1.00 0.00 C ATOM 892 O ASN A 57 7.400 9.847 10.358 1.00 0.00 O ATOM 893 CB ASN A 57 8.245 6.882 9.075 1.00 0.00 C ATOM 894 CG ASN A 57 9.689 6.420 9.061 1.00 0.00 C ATOM 895 OD1 ASN A 57 10.528 6.947 9.793 1.00 0.00 O ATOM 896 ND2 ASN A 57 9.986 5.432 8.226 1.00 0.00 N ATOM 0 H ASN A 57 5.910 6.878 9.863 1.00 0.00 H new ATOM 0 HA ASN A 57 8.355 6.956 11.221 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.594 6.038 8.847 1.00 0.00 H new ATOM 0 HB3 ASN A 57 8.095 7.621 8.288 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.942 5.080 8.172 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.259 5.025 7.638 1.00 0.00 H new ATOM 903 N SER A 58 9.536 9.203 10.648 1.00 0.00 N ATOM 904 CA SER A 58 10.052 10.565 10.720 1.00 0.00 C ATOM 905 C SER A 58 10.275 11.136 9.322 1.00 0.00 C ATOM 906 O SER A 58 9.956 12.293 9.055 1.00 0.00 O ATOM 907 CB SER A 58 11.362 10.596 11.510 1.00 0.00 C ATOM 908 OG SER A 58 11.539 11.845 12.155 1.00 0.00 O ATOM 0 H SER A 58 10.247 8.477 10.742 1.00 0.00 H new ATOM 0 HA SER A 58 9.312 11.181 11.232 1.00 0.00 H new ATOM 0 HB2 SER A 58 11.362 9.797 12.251 1.00 0.00 H new ATOM 0 HB3 SER A 58 12.200 10.408 10.839 1.00 0.00 H new ATOM 0 HG SER A 58 12.382 11.839 12.654 1.00 0.00 H new ATOM 914 N ASN A 59 10.824 10.313 8.435 1.00 0.00 N ATOM 915 CA ASN A 59 11.090 10.735 7.064 1.00 0.00 C ATOM 916 C ASN A 59 9.960 11.614 6.536 1.00 0.00 C ATOM 917 O ASN A 59 10.163 12.792 6.239 1.00 0.00 O ATOM 918 CB ASN A 59 11.267 9.515 6.158 1.00 0.00 C ATOM 919 CG ASN A 59 12.539 8.747 6.464 1.00 0.00 C ATOM 920 OD1 ASN A 59 12.494 7.631 6.981 1.00 0.00 O ATOM 921 ND2 ASN A 59 13.681 9.344 6.145 1.00 0.00 N ATOM 0 H ASN A 59 11.093 9.351 8.640 1.00 0.00 H new ATOM 0 HA ASN A 59 12.011 11.318 7.062 1.00 0.00 H new ATOM 0 HB2 ASN A 59 10.409 8.853 6.274 1.00 0.00 H new ATOM 0 HB3 ASN A 59 11.282 9.838 5.117 1.00 0.00 H new ATOM 0 HD21 ASN A 59 14.569 8.877 6.327 1.00 0.00 H new ATOM 0 HD22 ASN A 59 13.670 10.270 5.718 1.00 0.00 H new ATOM 928 N PHE A 60 8.770 11.034 6.423 1.00 0.00 N ATOM 929 CA PHE A 60 7.608 11.764 5.931 1.00 0.00 C ATOM 930 C PHE A 60 6.999 12.625 7.034 1.00 0.00 C ATOM 931 O PHE A 60 6.687 13.796 6.822 1.00 0.00 O ATOM 932 CB PHE A 60 6.558 10.791 5.391 1.00 0.00 C ATOM 933 CG PHE A 60 7.068 9.914 4.283 1.00 0.00 C ATOM 934 CD1 PHE A 60 7.740 8.736 4.567 1.00 0.00 C ATOM 935 CD2 PHE A 60 6.874 10.268 2.957 1.00 0.00 C ATOM 936 CE1 PHE A 60 8.210 7.929 3.549 1.00 0.00 C ATOM 937 CE2 PHE A 60 7.342 9.464 1.935 1.00 0.00 C ATOM 938 CZ PHE A 60 8.010 8.292 2.231 1.00 0.00 C ATOM 0 H PHE A 60 8.585 10.061 6.665 1.00 0.00 H new ATOM 0 HA PHE A 60 7.937 12.418 5.123 1.00 0.00 H new ATOM 0 HB2 PHE A 60 6.203 10.162 6.207 1.00 0.00 H new ATOM 0 HB3 PHE A 60 5.700 11.358 5.029 1.00 0.00 H new ATOM 0 HD1 PHE A 60 7.898 8.446 5.595 1.00 0.00 H new ATOM 0 HD2 PHE A 60 6.351 11.183 2.720 1.00 0.00 H new ATOM 0 HE1 PHE A 60 8.734 7.014 3.783 1.00 0.00 H new ATOM 0 HE2 PHE A 60 7.186 9.752 0.906 1.00 0.00 H new ATOM 0 HZ PHE A 60 8.375 7.661 1.434 1.00 0.00 H new ATOM 948 N GLY A 61 6.833 12.034 8.214 1.00 0.00 N ATOM 949 CA GLY A 61 6.262 12.761 9.333 1.00 0.00 C ATOM 950 C GLY A 61 4.765 12.957 9.194 1.00 0.00 C ATOM 951 O GLY A 61 4.177 12.690 8.145 1.00 0.00 O ATOM 0 H GLY A 61 7.084 11.066 8.415 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.470 12.222 10.257 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.747 13.734 9.416 1.00 0.00 H new ATOM 955 N PRO A 62 4.124 13.434 10.271 1.00 0.00 N ATOM 956 CA PRO A 62 2.678 13.676 10.289 1.00 0.00 C ATOM 957 C PRO A 62 2.277 14.854 9.407 1.00 0.00 C ATOM 958 O PRO A 62 1.094 15.171 9.281 1.00 0.00 O ATOM 959 CB PRO A 62 2.389 13.987 11.760 1.00 0.00 C ATOM 960 CG PRO A 62 3.678 14.505 12.298 1.00 0.00 C ATOM 961 CD PRO A 62 4.761 13.775 11.554 1.00 0.00 C ATOM 0 HA PRO A 62 2.117 12.826 9.901 1.00 0.00 H new ATOM 0 HB2 PRO A 62 1.593 14.725 11.860 1.00 0.00 H new ATOM 0 HB3 PRO A 62 2.066 13.095 12.297 1.00 0.00 H new ATOM 0 HG2 PRO A 62 3.759 15.582 12.148 1.00 0.00 H new ATOM 0 HG3 PRO A 62 3.753 14.326 13.371 1.00 0.00 H new ATOM 0 HD2 PRO A 62 5.642 14.401 11.411 1.00 0.00 H new ATOM 0 HD3 PRO A 62 5.086 12.884 12.090 1.00 0.00 H new ATOM 969 N GLU A 63 3.268 15.497 8.799 1.00 0.00 N ATOM 970 CA GLU A 63 3.016 16.640 7.929 1.00 0.00 C ATOM 971 C GLU A 63 2.706 16.183 6.506 1.00 0.00 C ATOM 972 O GLU A 63 2.788 16.965 5.559 1.00 0.00 O ATOM 973 CB GLU A 63 4.223 17.580 7.923 1.00 0.00 C ATOM 974 CG GLU A 63 4.533 18.182 9.283 1.00 0.00 C ATOM 975 CD GLU A 63 6.008 18.481 9.466 1.00 0.00 C ATOM 976 OE1 GLU A 63 6.839 17.747 8.893 1.00 0.00 O ATOM 977 OE2 GLU A 63 6.331 19.452 10.183 1.00 0.00 O ATOM 0 H GLU A 63 4.252 15.246 8.892 1.00 0.00 H new ATOM 0 HA GLU A 63 2.149 17.175 8.317 1.00 0.00 H new ATOM 0 HB2 GLU A 63 5.097 17.033 7.570 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.042 18.386 7.211 1.00 0.00 H new ATOM 0 HG2 GLU A 63 3.961 19.102 9.408 1.00 0.00 H new ATOM 0 HG3 GLU A 63 4.206 17.495 10.063 1.00 0.00 H new ATOM 984 N VAL A 64 2.351 14.910 6.364 1.00 0.00 N ATOM 985 CA VAL A 64 2.028 14.347 5.058 1.00 0.00 C ATOM 986 C VAL A 64 0.535 14.449 4.770 1.00 0.00 C ATOM 987 O VAL A 64 -0.295 14.295 5.667 1.00 0.00 O ATOM 988 CB VAL A 64 2.459 12.872 4.961 1.00 0.00 C ATOM 989 CG1 VAL A 64 1.758 12.039 6.023 1.00 0.00 C ATOM 990 CG2 VAL A 64 2.175 12.325 3.570 1.00 0.00 C ATOM 0 H VAL A 64 2.280 14.249 7.137 1.00 0.00 H new ATOM 0 HA VAL A 64 2.578 14.928 4.318 1.00 0.00 H new ATOM 0 HB VAL A 64 3.533 12.813 5.138 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.075 11.000 5.938 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.016 12.418 7.012 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.679 12.102 5.881 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.486 11.281 3.519 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.107 12.396 3.362 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.728 12.905 2.831 1.00 0.00 H new ATOM 1000 N THR A 65 0.197 14.710 3.511 1.00 0.00 N ATOM 1001 CA THR A 65 -1.196 14.834 3.103 1.00 0.00 C ATOM 1002 C THR A 65 -1.570 13.759 2.089 1.00 0.00 C ATOM 1003 O THR A 65 -0.728 13.302 1.315 1.00 0.00 O ATOM 1004 CB THR A 65 -1.483 16.220 2.494 1.00 0.00 C ATOM 1005 OG1 THR A 65 -2.886 16.366 2.248 1.00 0.00 O ATOM 1006 CG2 THR A 65 -0.713 16.410 1.195 1.00 0.00 C ATOM 0 H THR A 65 0.870 14.840 2.756 1.00 0.00 H new ATOM 0 HA THR A 65 -1.800 14.708 4.002 1.00 0.00 H new ATOM 0 HB THR A 65 -1.158 16.979 3.205 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.060 17.250 1.863 1.00 0.00 H new ATOM 0 HG21 THR A 65 -0.931 17.395 0.783 1.00 0.00 H new ATOM 0 HG22 THR A 65 0.356 16.327 1.390 1.00 0.00 H new ATOM 0 HG23 THR A 65 -1.012 15.644 0.480 1.00 0.00 H new ATOM 1014 N ARG A 66 -2.837 13.358 2.098 1.00 0.00 N ATOM 1015 CA ARG A 66 -3.322 12.336 1.178 1.00 0.00 C ATOM 1016 C ARG A 66 -2.620 12.442 -0.173 1.00 0.00 C ATOM 1017 O ARG A 66 -2.217 11.435 -0.754 1.00 0.00 O ATOM 1018 CB ARG A 66 -4.835 12.464 0.991 1.00 0.00 C ATOM 1019 CG ARG A 66 -5.643 11.770 2.075 1.00 0.00 C ATOM 1020 CD ARG A 66 -7.077 12.277 2.110 1.00 0.00 C ATOM 1021 NE ARG A 66 -7.150 13.685 2.490 1.00 0.00 N ATOM 1022 CZ ARG A 66 -8.218 14.240 3.053 1.00 0.00 C ATOM 1023 NH1 ARG A 66 -9.297 13.509 3.299 1.00 0.00 N ATOM 1024 NH2 ARG A 66 -8.209 15.528 3.370 1.00 0.00 N ATOM 0 H ARG A 66 -3.546 13.725 2.732 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.098 11.360 1.608 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -5.102 13.521 0.971 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -5.109 12.047 0.022 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -5.640 10.694 1.900 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.173 11.937 3.044 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.533 12.142 1.129 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.655 11.681 2.816 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.337 14.275 2.314 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -9.308 12.518 3.056 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -10.116 13.937 3.731 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -7.381 16.094 3.182 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -9.030 15.953 3.802 1.00 0.00 H new ATOM 1038 N GLN A 67 -2.479 13.669 -0.665 1.00 0.00 N ATOM 1039 CA GLN A 67 -1.827 13.906 -1.948 1.00 0.00 C ATOM 1040 C GLN A 67 -0.465 13.223 -2.001 1.00 0.00 C ATOM 1041 O GLN A 67 -0.198 12.419 -2.893 1.00 0.00 O ATOM 1042 CB GLN A 67 -1.669 15.408 -2.193 1.00 0.00 C ATOM 1043 CG GLN A 67 -1.506 15.771 -3.660 1.00 0.00 C ATOM 1044 CD GLN A 67 -1.259 17.252 -3.871 1.00 0.00 C ATOM 1045 OE1 GLN A 67 -0.683 17.924 -3.016 1.00 0.00 O ATOM 1046 NE2 GLN A 67 -1.694 17.768 -5.014 1.00 0.00 N ATOM 0 H GLN A 67 -2.807 14.513 -0.196 1.00 0.00 H new ATOM 0 HA GLN A 67 -2.455 13.482 -2.731 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.541 15.927 -1.794 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.802 15.769 -1.639 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -0.675 15.204 -4.080 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -2.402 15.475 -4.205 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -2.167 17.173 -5.695 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -1.556 18.759 -5.212 1.00 0.00 H new ATOM 1055 N GLN A 68 0.393 13.550 -1.039 1.00 0.00 N ATOM 1056 CA GLN A 68 1.729 12.968 -0.978 1.00 0.00 C ATOM 1057 C GLN A 68 1.661 11.445 -1.008 1.00 0.00 C ATOM 1058 O GLN A 68 2.415 10.793 -1.732 1.00 0.00 O ATOM 1059 CB GLN A 68 2.453 13.433 0.287 1.00 0.00 C ATOM 1060 CG GLN A 68 2.685 14.935 0.338 1.00 0.00 C ATOM 1061 CD GLN A 68 3.610 15.420 -0.761 1.00 0.00 C ATOM 1062 OE1 GLN A 68 3.160 15.888 -1.806 1.00 0.00 O ATOM 1063 NE2 GLN A 68 4.913 15.310 -0.529 1.00 0.00 N ATOM 0 H GLN A 68 0.187 14.214 -0.292 1.00 0.00 H new ATOM 0 HA GLN A 68 2.286 13.306 -1.852 1.00 0.00 H new ATOM 0 HB2 GLN A 68 1.872 13.134 1.159 1.00 0.00 H new ATOM 0 HB3 GLN A 68 3.414 12.923 0.354 1.00 0.00 H new ATOM 0 HG2 GLN A 68 1.728 15.450 0.255 1.00 0.00 H new ATOM 0 HG3 GLN A 68 3.107 15.201 1.307 1.00 0.00 H new ATOM 0 HE21 GLN A 68 5.243 14.916 0.352 1.00 0.00 H new ATOM 0 HE22 GLN A 68 5.584 15.620 -1.232 1.00 0.00 H new ATOM 1072 N THR A 69 0.753 10.882 -0.217 1.00 0.00 N ATOM 1073 CA THR A 69 0.587 9.435 -0.152 1.00 0.00 C ATOM 1074 C THR A 69 0.298 8.852 -1.531 1.00 0.00 C ATOM 1075 O THR A 69 0.992 7.944 -1.989 1.00 0.00 O ATOM 1076 CB THR A 69 -0.551 9.043 0.808 1.00 0.00 C ATOM 1077 OG1 THR A 69 -0.340 9.644 2.090 1.00 0.00 O ATOM 1078 CG2 THR A 69 -0.635 7.531 0.958 1.00 0.00 C ATOM 0 H THR A 69 0.121 11.406 0.388 1.00 0.00 H new ATOM 0 HA THR A 69 1.525 9.026 0.223 1.00 0.00 H new ATOM 0 HB THR A 69 -1.490 9.404 0.389 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.424 8.962 2.789 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.446 7.278 1.641 1.00 0.00 H new ATOM 0 HG22 THR A 69 -0.825 7.079 -0.015 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.306 7.152 1.356 1.00 0.00 H new ATOM 1086 N ILE A 70 -0.729 9.380 -2.188 1.00 0.00 N ATOM 1087 CA ILE A 70 -1.108 8.913 -3.515 1.00 0.00 C ATOM 1088 C ILE A 70 0.078 8.959 -4.473 1.00 0.00 C ATOM 1089 O ILE A 70 0.278 8.045 -5.272 1.00 0.00 O ATOM 1090 CB ILE A 70 -2.259 9.752 -4.100 1.00 0.00 C ATOM 1091 CG1 ILE A 70 -3.458 9.747 -3.149 1.00 0.00 C ATOM 1092 CG2 ILE A 70 -2.659 9.221 -5.468 1.00 0.00 C ATOM 1093 CD1 ILE A 70 -4.489 10.806 -3.471 1.00 0.00 C ATOM 0 H ILE A 70 -1.314 10.132 -1.823 1.00 0.00 H new ATOM 0 HA ILE A 70 -1.442 7.882 -3.403 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.916 10.780 -4.217 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -3.933 8.767 -3.182 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -3.103 9.895 -2.129 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.474 9.824 -5.869 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.804 9.272 -6.142 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.986 8.185 -5.375 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -5.310 10.744 -2.757 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -4.029 11.792 -3.410 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -4.872 10.646 -4.479 1.00 0.00 H new ATOM 1105 N GLN A 71 0.861 10.029 -4.385 1.00 0.00 N ATOM 1106 CA GLN A 71 2.028 10.193 -5.244 1.00 0.00 C ATOM 1107 C GLN A 71 2.991 9.021 -5.084 1.00 0.00 C ATOM 1108 O GLN A 71 3.493 8.477 -6.069 1.00 0.00 O ATOM 1109 CB GLN A 71 2.745 11.505 -4.921 1.00 0.00 C ATOM 1110 CG GLN A 71 2.041 12.735 -5.472 1.00 0.00 C ATOM 1111 CD GLN A 71 2.972 13.921 -5.626 1.00 0.00 C ATOM 1112 OE1 GLN A 71 3.842 13.933 -6.498 1.00 0.00 O ATOM 1113 NE2 GLN A 71 2.795 14.927 -4.778 1.00 0.00 N ATOM 0 H GLN A 71 0.709 10.795 -3.728 1.00 0.00 H new ATOM 0 HA GLN A 71 1.685 10.219 -6.278 1.00 0.00 H new ATOM 0 HB2 GLN A 71 2.836 11.603 -3.839 1.00 0.00 H new ATOM 0 HB3 GLN A 71 3.757 11.465 -5.324 1.00 0.00 H new ATOM 0 HG2 GLN A 71 1.602 12.494 -6.440 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.220 13.006 -4.809 1.00 0.00 H new ATOM 0 HE21 GLN A 71 2.062 14.875 -4.071 1.00 0.00 H new ATOM 0 HE22 GLN A 71 3.392 15.752 -4.834 1.00 0.00 H new ATOM 1122 N LEU A 72 3.245 8.637 -3.838 1.00 0.00 N ATOM 1123 CA LEU A 72 4.149 7.529 -3.548 1.00 0.00 C ATOM 1124 C LEU A 72 3.596 6.218 -4.097 1.00 0.00 C ATOM 1125 O LEU A 72 4.299 5.474 -4.784 1.00 0.00 O ATOM 1126 CB LEU A 72 4.374 7.409 -2.040 1.00 0.00 C ATOM 1127 CG LEU A 72 5.137 6.170 -1.571 1.00 0.00 C ATOM 1128 CD1 LEU A 72 6.568 6.197 -2.086 1.00 0.00 C ATOM 1129 CD2 LEU A 72 5.116 6.073 -0.053 1.00 0.00 C ATOM 0 H LEU A 72 2.838 9.076 -3.012 1.00 0.00 H new ATOM 0 HA LEU A 72 5.102 7.733 -4.036 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.915 8.293 -1.702 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.402 7.421 -1.546 1.00 0.00 H new ATOM 0 HG LEU A 72 4.643 5.288 -1.978 1.00 0.00 H new ATOM 0 HD11 LEU A 72 7.095 5.307 -1.742 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.562 6.217 -3.176 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.073 7.086 -1.710 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.664 5.185 0.262 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.584 6.959 0.375 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.085 6.005 0.293 1.00 0.00 H new ATOM 1141 N LEU A 73 2.333 5.941 -3.793 1.00 0.00 N ATOM 1142 CA LEU A 73 1.684 4.719 -4.258 1.00 0.00 C ATOM 1143 C LEU A 73 1.938 4.501 -5.746 1.00 0.00 C ATOM 1144 O LEU A 73 2.220 3.383 -6.180 1.00 0.00 O ATOM 1145 CB LEU A 73 0.180 4.784 -3.990 1.00 0.00 C ATOM 1146 CG LEU A 73 -0.555 3.443 -3.958 1.00 0.00 C ATOM 1147 CD1 LEU A 73 -0.423 2.795 -2.588 1.00 0.00 C ATOM 1148 CD2 LEU A 73 -2.020 3.629 -4.323 1.00 0.00 C ATOM 0 H LEU A 73 1.738 6.545 -3.227 1.00 0.00 H new ATOM 0 HA LEU A 73 2.109 3.879 -3.709 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.023 5.285 -3.035 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.279 5.409 -4.756 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.099 2.782 -4.695 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.952 1.842 -2.584 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.631 2.626 -2.365 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.853 3.452 -1.832 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.527 2.665 -4.295 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.489 4.307 -3.610 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.095 4.049 -5.326 1.00 0.00 H new ATOM 1160 N ARG A 74 1.839 5.575 -6.522 1.00 0.00 N ATOM 1161 CA ARG A 74 2.059 5.500 -7.961 1.00 0.00 C ATOM 1162 C ARG A 74 3.366 4.778 -8.275 1.00 0.00 C ATOM 1163 O ARG A 74 3.397 3.849 -9.082 1.00 0.00 O ATOM 1164 CB ARG A 74 2.080 6.904 -8.569 1.00 0.00 C ATOM 1165 CG ARG A 74 0.742 7.621 -8.492 1.00 0.00 C ATOM 1166 CD ARG A 74 0.795 8.974 -9.184 1.00 0.00 C ATOM 1167 NE ARG A 74 -0.535 9.460 -9.540 1.00 0.00 N ATOM 1168 CZ ARG A 74 -1.241 10.291 -8.781 1.00 0.00 C ATOM 1169 NH1 ARG A 74 -0.746 10.727 -7.631 1.00 0.00 N ATOM 1170 NH2 ARG A 74 -2.445 10.688 -9.173 1.00 0.00 N ATOM 0 H ARG A 74 1.608 6.507 -6.178 1.00 0.00 H new ATOM 0 HA ARG A 74 1.237 4.934 -8.400 1.00 0.00 H new ATOM 0 HB2 ARG A 74 2.833 7.502 -8.056 1.00 0.00 H new ATOM 0 HB3 ARG A 74 2.386 6.834 -9.613 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -0.029 7.005 -8.954 1.00 0.00 H new ATOM 0 HG3 ARG A 74 0.460 7.756 -7.448 1.00 0.00 H new ATOM 0 HD2 ARG A 74 1.282 9.697 -8.529 1.00 0.00 H new ATOM 0 HD3 ARG A 74 1.406 8.897 -10.084 1.00 0.00 H new ATOM 0 HE ARG A 74 -0.944 9.144 -10.419 1.00 0.00 H new ATOM 0 HH11 ARG A 74 0.179 10.425 -7.327 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -1.291 11.365 -7.051 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -2.829 10.355 -10.057 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -2.987 11.326 -8.590 1.00 0.00 H new ATOM 1184 N LYS A 75 4.445 5.213 -7.632 1.00 0.00 N ATOM 1185 CA LYS A 75 5.756 4.610 -7.841 1.00 0.00 C ATOM 1186 C LYS A 75 5.693 3.096 -7.658 1.00 0.00 C ATOM 1187 O LYS A 75 6.030 2.337 -8.567 1.00 0.00 O ATOM 1188 CB LYS A 75 6.776 5.209 -6.870 1.00 0.00 C ATOM 1189 CG LYS A 75 7.473 6.446 -7.409 1.00 0.00 C ATOM 1190 CD LYS A 75 8.225 7.184 -6.314 1.00 0.00 C ATOM 1191 CE LYS A 75 9.544 6.500 -5.986 1.00 0.00 C ATOM 1192 NZ LYS A 75 10.498 6.560 -7.127 1.00 0.00 N ATOM 0 H LYS A 75 4.437 5.982 -6.961 1.00 0.00 H new ATOM 0 HA LYS A 75 6.068 4.823 -8.863 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.272 5.463 -5.938 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.526 4.454 -6.632 1.00 0.00 H new ATOM 0 HG2 LYS A 75 8.168 6.159 -8.198 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.737 7.112 -7.859 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.414 8.210 -6.629 1.00 0.00 H new ATOM 0 HD3 LYS A 75 7.607 7.235 -5.417 1.00 0.00 H new ATOM 0 HE2 LYS A 75 9.992 6.974 -5.113 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.358 5.459 -5.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.467 6.420 -6.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.266 5.813 -7.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.428 7.489 -7.590 1.00 0.00 H new ATOM 1206 N PHE A 76 5.259 2.664 -6.479 1.00 0.00 N ATOM 1207 CA PHE A 76 5.151 1.242 -6.178 1.00 0.00 C ATOM 1208 C PHE A 76 4.542 0.482 -7.353 1.00 0.00 C ATOM 1209 O PHE A 76 5.130 -0.473 -7.862 1.00 0.00 O ATOM 1210 CB PHE A 76 4.304 1.027 -4.922 1.00 0.00 C ATOM 1211 CG PHE A 76 4.948 1.547 -3.669 1.00 0.00 C ATOM 1212 CD1 PHE A 76 6.298 1.344 -3.432 1.00 0.00 C ATOM 1213 CD2 PHE A 76 4.203 2.240 -2.728 1.00 0.00 C ATOM 1214 CE1 PHE A 76 6.892 1.821 -2.279 1.00 0.00 C ATOM 1215 CE2 PHE A 76 4.792 2.720 -1.574 1.00 0.00 C ATOM 1216 CZ PHE A 76 6.139 2.511 -1.349 1.00 0.00 C ATOM 0 H PHE A 76 4.976 3.279 -5.716 1.00 0.00 H new ATOM 0 HA PHE A 76 6.155 0.857 -6.000 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.340 1.517 -5.056 1.00 0.00 H new ATOM 0 HB3 PHE A 76 4.107 -0.039 -4.804 1.00 0.00 H new ATOM 0 HD1 PHE A 76 6.893 0.807 -4.156 1.00 0.00 H new ATOM 0 HD2 PHE A 76 3.150 2.407 -2.899 1.00 0.00 H new ATOM 0 HE1 PHE A 76 7.945 1.654 -2.105 1.00 0.00 H new ATOM 0 HE2 PHE A 76 4.200 3.258 -0.849 1.00 0.00 H new ATOM 0 HZ PHE A 76 6.602 2.886 -0.448 1.00 0.00 H new ATOM 1226 N LEU A 77 3.359 0.912 -7.778 1.00 0.00 N ATOM 1227 CA LEU A 77 2.668 0.273 -8.892 1.00 0.00 C ATOM 1228 C LEU A 77 3.544 0.258 -10.140 1.00 0.00 C ATOM 1229 O LEU A 77 3.517 -0.694 -10.920 1.00 0.00 O ATOM 1230 CB LEU A 77 1.354 0.999 -9.187 1.00 0.00 C ATOM 1231 CG LEU A 77 0.645 0.604 -10.483 1.00 0.00 C ATOM 1232 CD1 LEU A 77 -0.326 -0.540 -10.234 1.00 0.00 C ATOM 1233 CD2 LEU A 77 -0.081 1.802 -11.080 1.00 0.00 C ATOM 0 H LEU A 77 2.858 1.700 -7.368 1.00 0.00 H new ATOM 0 HA LEU A 77 2.452 -0.757 -8.610 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.671 0.825 -8.355 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.553 2.070 -9.217 1.00 0.00 H new ATOM 0 HG LEU A 77 1.396 0.266 -11.197 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.821 -0.807 -11.168 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.219 -1.403 -9.852 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.073 -0.231 -9.503 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.580 1.503 -12.002 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.821 2.170 -10.370 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.638 2.592 -11.297 1.00 0.00 H new ATOM 1245 N LYS A 78 4.324 1.319 -10.322 1.00 0.00 N ATOM 1246 CA LYS A 78 5.212 1.427 -11.473 1.00 0.00 C ATOM 1247 C LYS A 78 6.394 0.472 -11.341 1.00 0.00 C ATOM 1248 O LYS A 78 6.851 -0.105 -12.326 1.00 0.00 O ATOM 1249 CB LYS A 78 5.719 2.864 -11.619 1.00 0.00 C ATOM 1250 CG LYS A 78 6.859 3.010 -12.612 1.00 0.00 C ATOM 1251 CD LYS A 78 7.261 4.464 -12.790 1.00 0.00 C ATOM 1252 CE LYS A 78 7.946 5.010 -11.546 1.00 0.00 C ATOM 1253 NZ LYS A 78 8.672 6.279 -11.825 1.00 0.00 N ATOM 0 H LYS A 78 4.359 2.116 -9.687 1.00 0.00 H new ATOM 0 HA LYS A 78 4.645 1.155 -12.363 1.00 0.00 H new ATOM 0 HB2 LYS A 78 4.892 3.502 -11.932 1.00 0.00 H new ATOM 0 HB3 LYS A 78 6.049 3.225 -10.645 1.00 0.00 H new ATOM 0 HG2 LYS A 78 7.718 2.434 -12.268 1.00 0.00 H new ATOM 0 HG3 LYS A 78 6.560 2.594 -13.574 1.00 0.00 H new ATOM 0 HD2 LYS A 78 7.931 4.555 -13.645 1.00 0.00 H new ATOM 0 HD3 LYS A 78 6.377 5.062 -13.012 1.00 0.00 H new ATOM 0 HE2 LYS A 78 7.203 5.181 -10.767 1.00 0.00 H new ATOM 0 HE3 LYS A 78 8.646 4.268 -11.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 9.125 6.619 -10.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 9.399 6.111 -12.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 8.000 6.995 -12.168 1.00 0.00 H new ATOM 1267 N ASN A 79 6.883 0.308 -10.115 1.00 0.00 N ATOM 1268 CA ASN A 79 8.010 -0.578 -9.854 1.00 0.00 C ATOM 1269 C ASN A 79 7.548 -2.028 -9.739 1.00 0.00 C ATOM 1270 O ASN A 79 8.267 -2.881 -9.218 1.00 0.00 O ATOM 1271 CB ASN A 79 8.731 -0.158 -8.571 1.00 0.00 C ATOM 1272 CG ASN A 79 9.554 1.102 -8.757 1.00 0.00 C ATOM 1273 OD1 ASN A 79 10.684 1.053 -9.244 1.00 0.00 O ATOM 1274 ND2 ASN A 79 8.990 2.240 -8.370 1.00 0.00 N ATOM 0 H ASN A 79 6.515 0.778 -9.288 1.00 0.00 H new ATOM 0 HA ASN A 79 8.701 -0.501 -10.693 1.00 0.00 H new ATOM 0 HB2 ASN A 79 7.997 0.004 -7.781 1.00 0.00 H new ATOM 0 HB3 ASN A 79 9.381 -0.968 -8.241 1.00 0.00 H new ATOM 0 HD21 ASN A 79 9.496 3.120 -8.471 1.00 0.00 H new ATOM 0 HD22 ASN A 79 8.051 2.234 -7.971 1.00 0.00 H new ATOM 1281 N HIS A 80 6.342 -2.299 -10.229 1.00 0.00 N ATOM 1282 CA HIS A 80 5.783 -3.645 -10.182 1.00 0.00 C ATOM 1283 C HIS A 80 5.636 -4.123 -8.740 1.00 0.00 C ATOM 1284 O HIS A 80 5.759 -5.314 -8.454 1.00 0.00 O ATOM 1285 CB HIS A 80 6.669 -4.616 -10.964 1.00 0.00 C ATOM 1286 CG HIS A 80 6.117 -6.006 -11.035 1.00 0.00 C ATOM 1287 ND1 HIS A 80 6.884 -7.105 -11.360 1.00 0.00 N ATOM 1288 CD2 HIS A 80 4.865 -6.474 -10.820 1.00 0.00 C ATOM 1289 CE1 HIS A 80 6.128 -8.188 -11.343 1.00 0.00 C ATOM 1290 NE2 HIS A 80 4.898 -7.832 -11.017 1.00 0.00 N ATOM 0 H HIS A 80 5.734 -1.605 -10.663 1.00 0.00 H new ATOM 0 HA HIS A 80 4.794 -3.616 -10.640 1.00 0.00 H new ATOM 0 HB2 HIS A 80 6.805 -4.236 -11.976 1.00 0.00 H new ATOM 0 HB3 HIS A 80 7.655 -4.649 -10.501 1.00 0.00 H new ATOM 0 HD2 HIS A 80 4.001 -5.888 -10.545 1.00 0.00 H new ATOM 0 HE1 HIS A 80 6.459 -9.193 -11.559 1.00 0.00 H new ATOM 0 HE2 HIS A 80 4.102 -8.464 -10.926 1.00 0.00 H new ATOM 1298 N VAL A 81 5.372 -3.185 -7.835 1.00 0.00 N ATOM 1299 CA VAL A 81 5.208 -3.510 -6.423 1.00 0.00 C ATOM 1300 C VAL A 81 3.783 -3.962 -6.126 1.00 0.00 C ATOM 1301 O VAL A 81 3.557 -4.808 -5.260 1.00 0.00 O ATOM 1302 CB VAL A 81 5.550 -2.305 -5.527 1.00 0.00 C ATOM 1303 CG1 VAL A 81 5.120 -2.568 -4.092 1.00 0.00 C ATOM 1304 CG2 VAL A 81 7.037 -1.993 -5.598 1.00 0.00 C ATOM 0 H VAL A 81 5.267 -2.194 -8.055 1.00 0.00 H new ATOM 0 HA VAL A 81 5.898 -4.325 -6.203 1.00 0.00 H new ATOM 0 HB VAL A 81 5.002 -1.436 -5.892 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.370 -1.706 -3.474 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.044 -2.738 -4.060 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.638 -3.449 -3.713 1.00 0.00 H new ATOM 0 HG21 VAL A 81 7.260 -1.139 -4.959 1.00 0.00 H new ATOM 0 HG22 VAL A 81 7.607 -2.858 -5.260 1.00 0.00 H new ATOM 0 HG23 VAL A 81 7.311 -1.758 -6.627 1.00 0.00 H new ATOM 1314 N ILE A 82 2.824 -3.394 -6.850 1.00 0.00 N ATOM 1315 CA ILE A 82 1.421 -3.741 -6.665 1.00 0.00 C ATOM 1316 C ILE A 82 0.689 -3.806 -8.001 1.00 0.00 C ATOM 1317 O ILE A 82 0.584 -2.806 -8.711 1.00 0.00 O ATOM 1318 CB ILE A 82 0.707 -2.728 -5.751 1.00 0.00 C ATOM 1319 CG1 ILE A 82 1.048 -1.297 -6.173 1.00 0.00 C ATOM 1320 CG2 ILE A 82 1.091 -2.963 -4.297 1.00 0.00 C ATOM 1321 CD1 ILE A 82 0.064 -0.266 -5.666 1.00 0.00 C ATOM 0 H ILE A 82 2.994 -2.692 -7.570 1.00 0.00 H new ATOM 0 HA ILE A 82 1.399 -4.723 -6.193 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.369 -2.869 -5.850 1.00 0.00 H new ATOM 0 HG12 ILE A 82 2.044 -1.047 -5.808 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.086 -1.247 -7.261 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.578 -2.239 -3.664 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.802 -3.972 -4.003 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.169 -2.847 -4.182 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.369 0.725 -6.003 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -0.930 -0.491 -6.052 1.00 0.00 H new ATOM 0 HD13 ILE A 82 0.043 -0.288 -4.576 1.00 0.00 H new ATOM 1333 N GLU A 83 0.185 -4.989 -8.337 1.00 0.00 N ATOM 1334 CA GLU A 83 -0.538 -5.184 -9.588 1.00 0.00 C ATOM 1335 C GLU A 83 -2.031 -4.928 -9.400 1.00 0.00 C ATOM 1336 O GLU A 83 -2.578 -5.149 -8.319 1.00 0.00 O ATOM 1337 CB GLU A 83 -0.316 -6.603 -10.116 1.00 0.00 C ATOM 1338 CG GLU A 83 -1.411 -7.082 -11.054 1.00 0.00 C ATOM 1339 CD GLU A 83 -1.127 -8.457 -11.627 1.00 0.00 C ATOM 1340 OE1 GLU A 83 0.062 -8.787 -11.816 1.00 0.00 O ATOM 1341 OE2 GLU A 83 -2.095 -9.203 -11.887 1.00 0.00 O ATOM 0 H GLU A 83 0.264 -5.827 -7.760 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.153 -4.469 -10.315 1.00 0.00 H new ATOM 0 HB2 GLU A 83 0.640 -6.642 -10.638 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -0.247 -7.289 -9.272 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -2.360 -7.105 -10.518 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -1.523 -6.368 -11.870 1.00 0.00 H new ATOM 1348 N ASP A 84 -2.683 -4.460 -10.458 1.00 0.00 N ATOM 1349 CA ASP A 84 -4.112 -4.174 -10.411 1.00 0.00 C ATOM 1350 C ASP A 84 -4.927 -5.426 -10.716 1.00 0.00 C ATOM 1351 O ASP A 84 -4.409 -6.397 -11.270 1.00 0.00 O ATOM 1352 CB ASP A 84 -4.465 -3.066 -11.405 1.00 0.00 C ATOM 1353 CG ASP A 84 -5.827 -2.459 -11.135 1.00 0.00 C ATOM 1354 OD1 ASP A 84 -6.012 -1.873 -10.047 1.00 0.00 O ATOM 1355 OD2 ASP A 84 -6.709 -2.568 -12.012 1.00 0.00 O ATOM 0 H ASP A 84 -2.245 -4.270 -11.359 1.00 0.00 H new ATOM 0 HA ASP A 84 -4.357 -3.839 -9.403 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -3.706 -2.285 -11.358 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -4.445 -3.470 -12.417 1.00 0.00 H new ATOM 1360 N ILE A 85 -6.204 -5.398 -10.351 1.00 0.00 N ATOM 1361 CA ILE A 85 -7.091 -6.531 -10.586 1.00 0.00 C ATOM 1362 C ILE A 85 -6.987 -7.021 -12.026 1.00 0.00 C ATOM 1363 O ILE A 85 -7.161 -8.208 -12.305 1.00 0.00 O ATOM 1364 CB ILE A 85 -8.557 -6.171 -10.283 1.00 0.00 C ATOM 1365 CG1 ILE A 85 -9.454 -7.397 -10.465 1.00 0.00 C ATOM 1366 CG2 ILE A 85 -9.019 -5.032 -11.179 1.00 0.00 C ATOM 1367 CD1 ILE A 85 -10.592 -7.467 -9.471 1.00 0.00 C ATOM 0 H ILE A 85 -6.648 -4.603 -9.891 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.774 -7.325 -9.910 1.00 0.00 H new ATOM 0 HB ILE A 85 -8.628 -5.843 -9.246 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -9.864 -7.390 -11.475 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.847 -8.298 -10.374 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -10.057 -4.789 -10.953 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -8.395 -4.156 -11.004 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -8.936 -5.334 -12.223 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -11.186 -8.361 -9.660 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -10.189 -7.506 -8.459 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -11.222 -6.584 -9.577 1.00 0.00 H new ATOM 1379 N LYS A 86 -6.700 -6.099 -12.940 1.00 0.00 N ATOM 1380 CA LYS A 86 -6.569 -6.436 -14.352 1.00 0.00 C ATOM 1381 C LYS A 86 -5.102 -6.473 -14.769 1.00 0.00 C ATOM 1382 O LYS A 86 -4.701 -7.294 -15.593 1.00 0.00 O ATOM 1383 CB LYS A 86 -7.329 -5.424 -15.212 1.00 0.00 C ATOM 1384 CG LYS A 86 -8.786 -5.791 -15.439 1.00 0.00 C ATOM 1385 CD LYS A 86 -8.951 -6.690 -16.653 1.00 0.00 C ATOM 1386 CE LYS A 86 -10.310 -7.373 -16.659 1.00 0.00 C ATOM 1387 NZ LYS A 86 -10.670 -7.880 -18.013 1.00 0.00 N ATOM 0 H LYS A 86 -6.554 -5.112 -12.727 1.00 0.00 H new ATOM 0 HA LYS A 86 -6.997 -7.427 -14.504 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -7.280 -4.445 -14.735 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.831 -5.334 -16.177 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -9.177 -6.295 -14.555 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -9.374 -4.883 -15.574 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -8.835 -6.100 -17.562 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -8.164 -7.444 -16.659 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -10.303 -8.202 -15.951 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -11.071 -6.670 -16.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -11.603 -8.339 -17.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -10.701 -7.086 -18.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -9.957 -8.570 -18.326 1.00 0.00 H new ATOM 1401 N GLY A 87 -4.305 -5.578 -14.193 1.00 0.00 N ATOM 1402 CA GLY A 87 -2.892 -5.527 -14.517 1.00 0.00 C ATOM 1403 C GLY A 87 -2.487 -4.206 -15.141 1.00 0.00 C ATOM 1404 O GLY A 87 -2.151 -4.147 -16.324 1.00 0.00 O ATOM 0 H GLY A 87 -4.613 -4.888 -13.508 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -2.309 -5.691 -13.611 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -2.650 -6.339 -15.203 1.00 0.00 H new ATOM 1408 N ARG A 88 -2.521 -3.142 -14.344 1.00 0.00 N ATOM 1409 CA ARG A 88 -2.158 -1.815 -14.826 1.00 0.00 C ATOM 1410 C ARG A 88 -0.819 -1.372 -14.242 1.00 0.00 C ATOM 1411 O ARG A 88 -0.488 -0.187 -14.254 1.00 0.00 O ATOM 1412 CB ARG A 88 -3.245 -0.802 -14.463 1.00 0.00 C ATOM 1413 CG ARG A 88 -4.631 -1.197 -14.945 1.00 0.00 C ATOM 1414 CD ARG A 88 -5.618 -0.049 -14.803 1.00 0.00 C ATOM 1415 NE ARG A 88 -5.733 0.407 -13.420 1.00 0.00 N ATOM 1416 CZ ARG A 88 -4.992 1.382 -12.905 1.00 0.00 C ATOM 1417 NH1 ARG A 88 -4.088 1.999 -13.653 1.00 0.00 N ATOM 1418 NH2 ARG A 88 -5.154 1.741 -11.638 1.00 0.00 N ATOM 0 H ARG A 88 -2.796 -3.174 -13.362 1.00 0.00 H new ATOM 0 HA ARG A 88 -2.064 -1.863 -15.911 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -3.268 -0.678 -13.380 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -2.984 0.167 -14.889 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -4.580 -1.507 -15.989 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -4.985 -2.055 -14.374 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -5.301 0.782 -15.433 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -6.597 -0.366 -15.163 1.00 0.00 H new ATOM 0 HE ARG A 88 -6.419 -0.048 -12.817 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -3.960 1.726 -14.627 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -3.521 2.747 -13.254 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -5.848 1.268 -11.059 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -4.585 2.490 -11.243 1.00 0.00 H new ATOM 1432 N TRP A 89 -0.056 -2.332 -13.732 1.00 0.00 N ATOM 1433 CA TRP A 89 1.246 -2.040 -13.144 1.00 0.00 C ATOM 1434 C TRP A 89 2.160 -1.355 -14.154 1.00 0.00 C ATOM 1435 O TRP A 89 2.684 -1.995 -15.065 1.00 0.00 O ATOM 1436 CB TRP A 89 1.899 -3.327 -12.637 1.00 0.00 C ATOM 1437 CG TRP A 89 1.870 -4.442 -13.638 1.00 0.00 C ATOM 1438 CD1 TRP A 89 0.812 -5.257 -13.926 1.00 0.00 C ATOM 1439 CD2 TRP A 89 2.946 -4.866 -14.481 1.00 0.00 C ATOM 1440 NE1 TRP A 89 1.166 -6.161 -14.898 1.00 0.00 N ATOM 1441 CE2 TRP A 89 2.470 -5.942 -15.256 1.00 0.00 C ATOM 1442 CE3 TRP A 89 4.265 -4.441 -14.659 1.00 0.00 C ATOM 1443 CZ2 TRP A 89 3.268 -6.597 -16.190 1.00 0.00 C ATOM 1444 CZ3 TRP A 89 5.056 -5.092 -15.586 1.00 0.00 C ATOM 1445 CH2 TRP A 89 4.556 -6.159 -16.343 1.00 0.00 C ATOM 0 H TRP A 89 -0.316 -3.318 -13.714 1.00 0.00 H new ATOM 0 HA TRP A 89 1.093 -1.362 -12.304 1.00 0.00 H new ATOM 0 HB2 TRP A 89 2.934 -3.118 -12.366 1.00 0.00 H new ATOM 0 HB3 TRP A 89 1.391 -3.650 -11.729 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -0.160 -5.199 -13.458 1.00 0.00 H new ATOM 0 HE1 TRP A 89 0.557 -6.879 -15.290 1.00 0.00 H new ATOM 0 HE3 TRP A 89 4.659 -3.618 -14.082 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 2.885 -7.421 -16.773 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 6.078 -4.773 -15.729 1.00 0.00 H new ATOM 0 HH2 TRP A 89 5.199 -6.646 -17.061 1.00 0.00 H new ATOM 1456 N GLY A 90 2.347 -0.050 -13.987 1.00 0.00 N ATOM 1457 CA GLY A 90 3.198 0.700 -14.893 1.00 0.00 C ATOM 1458 C GLY A 90 2.453 1.815 -15.599 1.00 0.00 C ATOM 1459 O GLY A 90 2.734 2.121 -16.758 1.00 0.00 O ATOM 0 H GLY A 90 1.925 0.502 -13.240 1.00 0.00 H new ATOM 0 HA2 GLY A 90 4.034 1.122 -14.335 1.00 0.00 H new ATOM 0 HA3 GLY A 90 3.620 0.022 -15.635 1.00 0.00 H new ATOM 1463 N SER A 91 1.499 2.422 -14.901 1.00 0.00 N ATOM 1464 CA SER A 91 0.707 3.506 -15.471 1.00 0.00 C ATOM 1465 C SER A 91 0.939 4.807 -14.708 1.00 0.00 C ATOM 1466 O SER A 91 0.615 5.890 -15.195 1.00 0.00 O ATOM 1467 CB SER A 91 -0.780 3.146 -15.449 1.00 0.00 C ATOM 1468 OG SER A 91 -1.077 2.150 -16.411 1.00 0.00 O ATOM 0 H SER A 91 1.256 2.182 -13.940 1.00 0.00 H new ATOM 0 HA SER A 91 1.023 3.650 -16.504 1.00 0.00 H new ATOM 0 HB2 SER A 91 -1.057 2.791 -14.456 1.00 0.00 H new ATOM 0 HB3 SER A 91 -1.376 4.037 -15.647 1.00 0.00 H new ATOM 0 HG SER A 91 -0.957 1.263 -16.012 1.00 0.00 H new ATOM 1474 N GLU A 92 1.501 4.691 -13.509 1.00 0.00 N ATOM 1475 CA GLU A 92 1.775 5.857 -12.679 1.00 0.00 C ATOM 1476 C GLU A 92 0.517 6.701 -12.494 1.00 0.00 C ATOM 1477 O GLU A 92 0.567 7.929 -12.551 1.00 0.00 O ATOM 1478 CB GLU A 92 2.885 6.706 -13.302 1.00 0.00 C ATOM 1479 CG GLU A 92 4.197 5.959 -13.478 1.00 0.00 C ATOM 1480 CD GLU A 92 4.264 5.198 -14.787 1.00 0.00 C ATOM 1481 OE1 GLU A 92 3.510 5.550 -15.718 1.00 0.00 O ATOM 1482 OE2 GLU A 92 5.072 4.250 -14.881 1.00 0.00 O ATOM 0 H GLU A 92 1.775 3.802 -13.091 1.00 0.00 H new ATOM 0 HA GLU A 92 2.103 5.505 -11.701 1.00 0.00 H new ATOM 0 HB2 GLU A 92 2.551 7.070 -14.274 1.00 0.00 H new ATOM 0 HB3 GLU A 92 3.056 7.581 -12.676 1.00 0.00 H new ATOM 0 HG2 GLU A 92 5.023 6.668 -13.432 1.00 0.00 H new ATOM 0 HG3 GLU A 92 4.328 5.262 -12.650 1.00 0.00 H new ATOM 1489 N ASN A 93 -0.610 6.033 -12.273 1.00 0.00 N ATOM 1490 CA ASN A 93 -1.882 6.720 -12.082 1.00 0.00 C ATOM 1491 C ASN A 93 -2.761 5.970 -11.085 1.00 0.00 C ATOM 1492 O ASN A 93 -3.374 4.957 -11.422 1.00 0.00 O ATOM 1493 CB ASN A 93 -2.614 6.865 -13.417 1.00 0.00 C ATOM 1494 CG ASN A 93 -3.488 8.103 -13.467 1.00 0.00 C ATOM 1495 OD1 ASN A 93 -3.382 8.985 -12.615 1.00 0.00 O ATOM 1496 ND2 ASN A 93 -4.357 8.173 -14.468 1.00 0.00 N ATOM 0 H ASN A 93 -0.668 5.016 -12.222 1.00 0.00 H new ATOM 0 HA ASN A 93 -1.674 7.712 -11.681 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -1.884 6.906 -14.226 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -3.230 5.982 -13.588 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -4.972 8.982 -14.554 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -4.410 7.418 -15.151 1.00 0.00 H new ATOM 1503 N VAL A 94 -2.818 6.476 -9.857 1.00 0.00 N ATOM 1504 CA VAL A 94 -3.623 5.855 -8.812 1.00 0.00 C ATOM 1505 C VAL A 94 -4.363 6.906 -7.992 1.00 0.00 C ATOM 1506 O VAL A 94 -3.861 8.010 -7.780 1.00 0.00 O ATOM 1507 CB VAL A 94 -2.756 5.001 -7.868 1.00 0.00 C ATOM 1508 CG1 VAL A 94 -2.121 3.845 -8.626 1.00 0.00 C ATOM 1509 CG2 VAL A 94 -1.692 5.859 -7.200 1.00 0.00 C ATOM 0 H VAL A 94 -2.317 7.314 -9.562 1.00 0.00 H new ATOM 0 HA VAL A 94 -4.347 5.210 -9.311 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.397 4.586 -7.090 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -1.512 3.253 -7.943 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -2.903 3.217 -9.053 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -1.492 4.236 -9.426 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -1.089 5.239 -6.537 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -1.052 6.304 -7.962 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -2.172 6.649 -6.622 1.00 0.00 H new ATOM 1519 N ASP A 95 -5.560 6.555 -7.534 1.00 0.00 N ATOM 1520 CA ASP A 95 -6.370 7.467 -6.736 1.00 0.00 C ATOM 1521 C ASP A 95 -7.129 6.711 -5.649 1.00 0.00 C ATOM 1522 O ASP A 95 -7.042 5.487 -5.556 1.00 0.00 O ATOM 1523 CB ASP A 95 -7.354 8.225 -7.629 1.00 0.00 C ATOM 1524 CG ASP A 95 -6.655 9.147 -8.608 1.00 0.00 C ATOM 1525 OD1 ASP A 95 -6.302 10.276 -8.210 1.00 0.00 O ATOM 1526 OD2 ASP A 95 -6.461 8.739 -9.773 1.00 0.00 O ATOM 0 H ASP A 95 -5.990 5.646 -7.702 1.00 0.00 H new ATOM 0 HA ASP A 95 -5.701 8.182 -6.257 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -7.965 7.510 -8.180 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -8.031 8.808 -7.005 1.00 0.00 H new ATOM 1531 N ASP A 96 -7.871 7.449 -4.831 1.00 0.00 N ATOM 1532 CA ASP A 96 -8.645 6.848 -3.751 1.00 0.00 C ATOM 1533 C ASP A 96 -9.932 6.226 -4.285 1.00 0.00 C ATOM 1534 O ASP A 96 -10.813 5.842 -3.517 1.00 0.00 O ATOM 1535 CB ASP A 96 -8.974 7.896 -2.687 1.00 0.00 C ATOM 1536 CG ASP A 96 -10.138 8.782 -3.086 1.00 0.00 C ATOM 1537 OD1 ASP A 96 -10.084 9.373 -4.185 1.00 0.00 O ATOM 1538 OD2 ASP A 96 -11.103 8.883 -2.301 1.00 0.00 O ATOM 0 H ASP A 96 -7.953 8.464 -4.895 1.00 0.00 H new ATOM 0 HA ASP A 96 -8.042 6.060 -3.300 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -9.208 7.395 -1.748 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -8.095 8.515 -2.507 1.00 0.00 H new ATOM 1543 N ASN A 97 -10.033 6.132 -5.607 1.00 0.00 N ATOM 1544 CA ASN A 97 -11.213 5.558 -6.244 1.00 0.00 C ATOM 1545 C ASN A 97 -11.467 4.140 -5.742 1.00 0.00 C ATOM 1546 O ASN A 97 -10.706 3.612 -4.933 1.00 0.00 O ATOM 1547 CB ASN A 97 -11.044 5.550 -7.765 1.00 0.00 C ATOM 1548 CG ASN A 97 -9.609 5.296 -8.186 1.00 0.00 C ATOM 1549 OD1 ASN A 97 -8.885 4.541 -7.537 1.00 0.00 O ATOM 1550 ND2 ASN A 97 -9.192 5.927 -9.277 1.00 0.00 N ATOM 0 H ASN A 97 -9.313 6.446 -6.258 1.00 0.00 H new ATOM 0 HA ASN A 97 -12.072 6.176 -5.984 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -11.687 4.782 -8.195 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -11.375 6.507 -8.170 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -8.236 5.795 -9.609 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -9.827 6.544 -9.784 1.00 0.00 H new ATOM 1557 N ASN A 98 -12.542 3.529 -6.230 1.00 0.00 N ATOM 1558 CA ASN A 98 -12.896 2.172 -5.831 1.00 0.00 C ATOM 1559 C ASN A 98 -12.088 1.145 -6.619 1.00 0.00 C ATOM 1560 O ASN A 98 -12.437 -0.035 -6.658 1.00 0.00 O ATOM 1561 CB ASN A 98 -14.392 1.930 -6.042 1.00 0.00 C ATOM 1562 CG ASN A 98 -14.702 1.397 -7.428 1.00 0.00 C ATOM 1563 OD1 ASN A 98 -15.156 0.263 -7.581 1.00 0.00 O ATOM 1564 ND2 ASN A 98 -14.457 2.214 -8.445 1.00 0.00 N ATOM 0 H ASN A 98 -13.182 3.952 -6.902 1.00 0.00 H new ATOM 0 HA ASN A 98 -12.662 2.059 -4.773 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -14.752 1.223 -5.295 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -14.934 2.863 -5.885 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -14.645 1.910 -9.400 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -14.080 3.146 -8.271 1.00 0.00 H new ATOM 1571 N GLN A 99 -11.008 1.603 -7.243 1.00 0.00 N ATOM 1572 CA GLN A 99 -10.150 0.723 -8.029 1.00 0.00 C ATOM 1573 C GLN A 99 -9.535 -0.363 -7.153 1.00 0.00 C ATOM 1574 O GLN A 99 -8.778 -0.073 -6.226 1.00 0.00 O ATOM 1575 CB GLN A 99 -9.045 1.531 -8.712 1.00 0.00 C ATOM 1576 CG GLN A 99 -9.534 2.353 -9.894 1.00 0.00 C ATOM 1577 CD GLN A 99 -8.442 2.621 -10.910 1.00 0.00 C ATOM 1578 OE1 GLN A 99 -7.722 3.616 -10.817 1.00 0.00 O ATOM 1579 NE2 GLN A 99 -8.313 1.733 -11.889 1.00 0.00 N ATOM 0 H GLN A 99 -10.706 2.577 -7.220 1.00 0.00 H new ATOM 0 HA GLN A 99 -10.764 0.244 -8.791 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -8.589 2.198 -7.980 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -8.265 0.849 -9.052 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -10.357 1.829 -10.380 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -9.930 3.302 -9.533 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -8.931 0.923 -11.927 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -7.595 1.861 -12.603 1.00 0.00 H new ATOM 1588 N LEU A 100 -9.865 -1.614 -7.452 1.00 0.00 N ATOM 1589 CA LEU A 100 -9.345 -2.745 -6.692 1.00 0.00 C ATOM 1590 C LEU A 100 -7.919 -3.079 -7.118 1.00 0.00 C ATOM 1591 O LEU A 100 -7.596 -3.064 -8.306 1.00 0.00 O ATOM 1592 CB LEU A 100 -10.245 -3.968 -6.879 1.00 0.00 C ATOM 1593 CG LEU A 100 -11.468 -4.048 -5.964 1.00 0.00 C ATOM 1594 CD1 LEU A 100 -12.530 -4.951 -6.571 1.00 0.00 C ATOM 1595 CD2 LEU A 100 -11.068 -4.545 -4.582 1.00 0.00 C ATOM 0 H LEU A 100 -10.490 -1.871 -8.216 1.00 0.00 H new ATOM 0 HA LEU A 100 -9.334 -2.468 -5.638 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.588 -3.987 -7.913 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -9.643 -4.864 -6.727 1.00 0.00 H new ATOM 0 HG LEU A 100 -11.888 -3.047 -5.861 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -13.393 -4.996 -5.906 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -12.837 -4.552 -7.538 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -12.122 -5.953 -6.705 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -11.950 -4.596 -3.944 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -10.624 -5.537 -4.667 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -10.343 -3.859 -4.144 1.00 0.00 H new ATOM 1607 N PHE A 101 -7.071 -3.383 -6.141 1.00 0.00 N ATOM 1608 CA PHE A 101 -5.679 -3.722 -6.416 1.00 0.00 C ATOM 1609 C PHE A 101 -5.326 -5.085 -5.829 1.00 0.00 C ATOM 1610 O PHE A 101 -6.086 -5.651 -5.043 1.00 0.00 O ATOM 1611 CB PHE A 101 -4.749 -2.651 -5.843 1.00 0.00 C ATOM 1612 CG PHE A 101 -4.642 -1.426 -6.705 1.00 0.00 C ATOM 1613 CD1 PHE A 101 -5.580 -0.410 -6.608 1.00 0.00 C ATOM 1614 CD2 PHE A 101 -3.604 -1.290 -7.613 1.00 0.00 C ATOM 1615 CE1 PHE A 101 -5.484 0.719 -7.399 1.00 0.00 C ATOM 1616 CE2 PHE A 101 -3.504 -0.163 -8.407 1.00 0.00 C ATOM 1617 CZ PHE A 101 -4.445 0.842 -8.301 1.00 0.00 C ATOM 0 H PHE A 101 -7.323 -3.402 -5.153 1.00 0.00 H new ATOM 0 HA PHE A 101 -5.548 -3.766 -7.497 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -5.108 -2.360 -4.856 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -3.755 -3.078 -5.708 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -6.395 -0.502 -5.906 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -2.865 -2.073 -7.701 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -6.220 1.504 -7.312 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -2.690 -0.068 -9.110 1.00 0.00 H new ATOM 0 HZ PHE A 101 -4.369 1.722 -8.922 1.00 0.00 H new ATOM 1627 N ARG A 102 -4.168 -5.608 -6.218 1.00 0.00 N ATOM 1628 CA ARG A 102 -3.714 -6.906 -5.732 1.00 0.00 C ATOM 1629 C ARG A 102 -2.190 -6.986 -5.739 1.00 0.00 C ATOM 1630 O ARG A 102 -1.514 -6.115 -6.287 1.00 0.00 O ATOM 1631 CB ARG A 102 -4.298 -8.028 -6.592 1.00 0.00 C ATOM 1632 CG ARG A 102 -3.590 -8.207 -7.925 1.00 0.00 C ATOM 1633 CD ARG A 102 -4.548 -8.681 -9.006 1.00 0.00 C ATOM 1634 NE ARG A 102 -3.888 -9.546 -9.981 1.00 0.00 N ATOM 1635 CZ ARG A 102 -3.735 -10.855 -9.817 1.00 0.00 C ATOM 1636 NH1 ARG A 102 -4.192 -11.448 -8.723 1.00 0.00 N ATOM 1637 NH2 ARG A 102 -3.124 -11.574 -10.750 1.00 0.00 N ATOM 0 H ARG A 102 -3.527 -5.153 -6.868 1.00 0.00 H new ATOM 0 HA ARG A 102 -4.062 -7.025 -4.706 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -4.248 -8.964 -6.036 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -5.353 -7.822 -6.775 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -3.137 -7.263 -8.227 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -2.780 -8.928 -7.814 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -5.376 -9.220 -8.546 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -4.974 -7.818 -9.517 1.00 0.00 H new ATOM 0 HE ARG A 102 -3.525 -9.121 -10.834 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -4.663 -10.899 -8.004 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -4.073 -12.454 -8.600 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -2.772 -11.121 -11.593 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -3.007 -12.579 -10.624 1.00 0.00 H new ATOM 1651 N PHE A 103 -1.655 -8.037 -5.127 1.00 0.00 N ATOM 1652 CA PHE A 103 -0.211 -8.231 -5.061 1.00 0.00 C ATOM 1653 C PHE A 103 0.216 -9.428 -5.904 1.00 0.00 C ATOM 1654 O PHE A 103 -0.447 -10.466 -5.936 1.00 0.00 O ATOM 1655 CB PHE A 103 0.232 -8.431 -3.610 1.00 0.00 C ATOM 1656 CG PHE A 103 1.662 -8.045 -3.362 1.00 0.00 C ATOM 1657 CD1 PHE A 103 2.681 -8.971 -3.519 1.00 0.00 C ATOM 1658 CD2 PHE A 103 1.989 -6.756 -2.972 1.00 0.00 C ATOM 1659 CE1 PHE A 103 3.997 -8.619 -3.290 1.00 0.00 C ATOM 1660 CE2 PHE A 103 3.304 -6.398 -2.742 1.00 0.00 C ATOM 1661 CZ PHE A 103 4.309 -7.331 -2.903 1.00 0.00 C ATOM 0 H PHE A 103 -2.200 -8.768 -4.669 1.00 0.00 H new ATOM 0 HA PHE A 103 0.269 -7.338 -5.461 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -0.413 -7.843 -2.957 1.00 0.00 H new ATOM 0 HB3 PHE A 103 0.094 -9.477 -3.337 1.00 0.00 H new ATOM 0 HD1 PHE A 103 2.444 -9.979 -3.824 1.00 0.00 H new ATOM 0 HD2 PHE A 103 1.207 -6.022 -2.846 1.00 0.00 H new ATOM 0 HE1 PHE A 103 4.781 -9.351 -3.414 1.00 0.00 H new ATOM 0 HE2 PHE A 103 3.545 -5.390 -2.437 1.00 0.00 H new ATOM 0 HZ PHE A 103 5.338 -7.054 -2.726 1.00 0.00 H new ATOM 1671 N PRO A 104 1.350 -9.283 -6.605 1.00 0.00 N ATOM 1672 CA PRO A 104 1.892 -10.342 -7.463 1.00 0.00 C ATOM 1673 C PRO A 104 2.425 -11.522 -6.658 1.00 0.00 C ATOM 1674 O PRO A 104 2.900 -11.357 -5.535 1.00 0.00 O ATOM 1675 CB PRO A 104 3.032 -9.645 -8.209 1.00 0.00 C ATOM 1676 CG PRO A 104 3.443 -8.526 -7.314 1.00 0.00 C ATOM 1677 CD PRO A 104 2.191 -8.074 -6.615 1.00 0.00 C ATOM 0 HA PRO A 104 1.131 -10.765 -8.119 1.00 0.00 H new ATOM 0 HB2 PRO A 104 3.860 -10.329 -8.394 1.00 0.00 H new ATOM 0 HB3 PRO A 104 2.702 -9.275 -9.180 1.00 0.00 H new ATOM 0 HG2 PRO A 104 4.193 -8.856 -6.596 1.00 0.00 H new ATOM 0 HG3 PRO A 104 3.886 -7.711 -7.886 1.00 0.00 H new ATOM 0 HD2 PRO A 104 2.400 -7.721 -5.605 1.00 0.00 H new ATOM 0 HD3 PRO A 104 1.708 -7.253 -7.146 1.00 0.00 H new ATOM 1685 N ALA A 105 2.344 -12.714 -7.241 1.00 0.00 N ATOM 1686 CA ALA A 105 2.821 -13.922 -6.580 1.00 0.00 C ATOM 1687 C ALA A 105 4.301 -14.156 -6.863 1.00 0.00 C ATOM 1688 O ALA A 105 5.039 -14.633 -6.001 1.00 0.00 O ATOM 1689 CB ALA A 105 2.000 -15.125 -7.022 1.00 0.00 C ATOM 0 H ALA A 105 1.952 -12.868 -8.170 1.00 0.00 H new ATOM 0 HA ALA A 105 2.701 -13.789 -5.505 1.00 0.00 H new ATOM 0 HB1 ALA A 105 2.367 -16.020 -6.520 1.00 0.00 H new ATOM 0 HB2 ALA A 105 0.953 -14.967 -6.762 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.090 -15.251 -8.101 1.00 0.00 H new TER 1695 ALA A 105