USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 469 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 8 MET CE :methyl -161:sc= 0 (180deg=-0.0594) USER MOD Set 1.2: A 76 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 58 THR OG1 : rot 180:sc= 0.0635 USER MOD Set 2.2: A 61 MET CE :methyl -134:sc= -1.4 (180deg=-6.18!) USER MOD Set 2.3: A 79 TYR OH : rot 180:sc= -0.108 USER MOD Set 3.1: A 25 HIS : no HD1:sc= 0.8 K(o=2,f=-2.5) USER MOD Set 3.2: A 64 ASN : amide:sc= 1.19 K(o=2,f=-0.99) USER MOD Single : A 2 ASN : amide:sc= 2.06 K(o=2.1,f=0.17) USER MOD Single : A 5 MET CE :methyl -167:sc= 0 (180deg=-0.0256) USER MOD Single : A 11 GLN : amide:sc= -0.1 X(o=-0.1,f=-0.1) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.066) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= 1.01 K(o=1,f=-0.0044) USER MOD Single : A 65 GLN : amide:sc= -0.0707 X(o=-0.071,f=-0.44) USER MOD Single : A 66 HIS : no HE2:sc= -0.543 K(o=-0.54,f=-1.9!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0.534 K(o=0.53,f=-3.4!) USER MOD Single : A 73 GLN : amide:sc= -0.645 K(o=-0.65,f=-0.011) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 MET CE :methyl -144:sc= -0.546 (180deg=-2.32!) USER MOD Single : A 78 HIS : no HE2:sc= -2.63! C(o=-2.6!,f=-5.9!) USER MOD Single : A 80 SER OG : rot -40:sc= 0.247 USER MOD ----------------------------------------------------------------- ATOM 11 N ASN A 2 -4.497 8.733 -2.968 1.00 51.01 N ATOM 12 CA ASN A 2 -4.178 8.220 -1.624 1.00 73.32 C ATOM 13 C ASN A 2 -3.840 6.725 -1.635 1.00 44.34 C ATOM 14 O ASN A 2 -3.498 6.196 -0.580 1.00 62.44 O ATOM 15 CB ASN A 2 -5.327 8.468 -0.624 1.00 33.33 C ATOM 16 CG ASN A 2 -6.466 7.463 -0.802 1.00 3.42 C ATOM 17 OD1 ASN A 2 -6.932 7.284 -1.914 1.00 13.30 O ATOM 18 ND2 ASN A 2 -6.930 6.805 0.247 1.00 45.54 N ATOM 0 HA ASN A 2 -3.297 8.775 -1.301 1.00 73.32 H new ATOM 0 HB2 ASN A 2 -4.942 8.404 0.394 1.00 33.33 H new ATOM 0 HB3 ASN A 2 -5.711 9.479 -0.756 1.00 33.33 H new ATOM 0 HD21 ASN A 2 -7.690 6.135 0.133 1.00 45.54 H new ATOM 0 HD22 ASN A 2 -6.528 6.968 1.170 1.00 45.54 H new ATOM 24 N ILE A 3 -3.936 6.041 -2.779 1.00 73.35 N ATOM 25 CA ILE A 3 -3.639 4.619 -2.895 1.00 21.13 C ATOM 26 C ILE A 3 -2.216 4.475 -3.412 1.00 74.43 C ATOM 27 O ILE A 3 -1.805 5.225 -4.296 1.00 74.51 O ATOM 28 CB ILE A 3 -4.668 3.932 -3.819 1.00 64.41 C ATOM 29 CG1 ILE A 3 -6.094 4.310 -3.363 1.00 23.30 C ATOM 30 CG2 ILE A 3 -4.487 2.402 -3.796 1.00 20.30 C ATOM 31 CD1 ILE A 3 -6.781 5.156 -4.421 1.00 23.51 C ATOM 0 H ILE A 3 -4.226 6.469 -3.658 1.00 73.35 H new ATOM 0 HA ILE A 3 -3.713 4.126 -1.925 1.00 21.13 H new ATOM 0 HB ILE A 3 -4.511 4.273 -4.842 1.00 64.41 H new ATOM 0 HG12 ILE A 3 -6.675 3.407 -3.177 1.00 23.30 H new ATOM 0 HG13 ILE A 3 -6.048 4.859 -2.422 1.00 23.30 H new ATOM 0 HG21 ILE A 3 -5.222 1.939 -4.454 1.00 20.30 H new ATOM 0 HG22 ILE A 3 -3.483 2.149 -4.138 1.00 20.30 H new ATOM 0 HG23 ILE A 3 -4.627 2.034 -2.779 1.00 20.30 H new ATOM 0 HD11 ILE A 3 -7.785 5.414 -4.085 1.00 23.51 H new ATOM 0 HD12 ILE A 3 -6.208 6.068 -4.586 1.00 23.51 H new ATOM 0 HD13 ILE A 3 -6.844 4.593 -5.352 1.00 23.51 H new ATOM 42 N VAL A 4 -1.495 3.488 -2.895 1.00 24.13 N ATOM 43 CA VAL A 4 -0.126 3.147 -3.257 1.00 0.10 C ATOM 44 C VAL A 4 -0.099 1.641 -3.524 1.00 14.33 C ATOM 45 O VAL A 4 -0.072 0.814 -2.607 1.00 52.34 O ATOM 46 CB VAL A 4 0.872 3.653 -2.193 1.00 23.21 C ATOM 47 CG1 VAL A 4 2.305 3.361 -2.645 1.00 0.50 C ATOM 48 CG2 VAL A 4 0.762 5.179 -2.018 1.00 73.51 C ATOM 0 H VAL A 4 -1.870 2.872 -2.174 1.00 24.13 H new ATOM 0 HA VAL A 4 0.203 3.651 -4.166 1.00 0.10 H new ATOM 0 HB VAL A 4 0.637 3.145 -1.257 1.00 23.21 H new ATOM 0 HG11 VAL A 4 3.005 3.720 -1.890 1.00 0.50 H new ATOM 0 HG12 VAL A 4 2.433 2.287 -2.777 1.00 0.50 H new ATOM 0 HG13 VAL A 4 2.499 3.868 -3.590 1.00 0.50 H new ATOM 0 HG21 VAL A 4 1.475 5.511 -1.263 1.00 73.51 H new ATOM 0 HG22 VAL A 4 0.981 5.671 -2.966 1.00 73.51 H new ATOM 0 HG23 VAL A 4 -0.248 5.437 -1.701 1.00 73.51 H new ATOM 58 N MET A 5 -0.166 1.298 -4.809 1.00 0.40 N ATOM 59 CA MET A 5 0.076 -0.032 -5.332 1.00 0.15 C ATOM 60 C MET A 5 1.569 -0.272 -5.236 1.00 45.32 C ATOM 61 O MET A 5 2.341 0.474 -5.841 1.00 40.33 O ATOM 62 CB MET A 5 -0.365 -0.105 -6.798 1.00 21.11 C ATOM 63 CG MET A 5 -0.807 -1.500 -7.240 1.00 2.52 C ATOM 64 SD MET A 5 -1.429 -1.468 -8.943 1.00 55.01 S ATOM 65 CE MET A 5 -1.005 -3.131 -9.505 1.00 43.05 C ATOM 0 H MET A 5 -0.400 1.971 -5.538 1.00 0.40 H new ATOM 0 HA MET A 5 -0.483 -0.781 -4.771 1.00 0.15 H new ATOM 0 HB2 MET A 5 -1.187 0.593 -6.956 1.00 21.11 H new ATOM 0 HB3 MET A 5 0.458 0.223 -7.432 1.00 21.11 H new ATOM 0 HG2 MET A 5 0.032 -2.192 -7.167 1.00 2.52 H new ATOM 0 HG3 MET A 5 -1.584 -1.869 -6.571 1.00 2.52 H new ATOM 0 HE1 MET A 5 -1.111 -3.187 -10.588 1.00 43.05 H new ATOM 0 HE2 MET A 5 0.025 -3.357 -9.229 1.00 43.05 H new ATOM 0 HE3 MET A 5 -1.673 -3.854 -9.037 1.00 43.05 H new ATOM 73 N LEU A 6 1.982 -1.284 -4.486 1.00 31.14 N ATOM 74 CA LEU A 6 3.390 -1.603 -4.303 1.00 44.22 C ATOM 75 C LEU A 6 3.674 -2.797 -5.187 1.00 20.43 C ATOM 76 O LEU A 6 3.406 -3.922 -4.777 1.00 44.34 O ATOM 77 CB LEU A 6 3.694 -1.880 -2.826 1.00 15.03 C ATOM 78 CG LEU A 6 3.476 -0.653 -1.926 1.00 75.15 C ATOM 79 CD1 LEU A 6 3.659 -1.024 -0.464 1.00 3.34 C ATOM 80 CD2 LEU A 6 4.444 0.480 -2.272 1.00 62.34 C ATOM 0 H LEU A 6 1.348 -1.908 -3.986 1.00 31.14 H new ATOM 0 HA LEU A 6 4.035 -0.770 -4.584 1.00 44.22 H new ATOM 0 HB2 LEU A 6 3.061 -2.696 -2.478 1.00 15.03 H new ATOM 0 HB3 LEU A 6 4.727 -2.215 -2.730 1.00 15.03 H new ATOM 0 HG LEU A 6 2.456 -0.309 -2.098 1.00 75.15 H new ATOM 0 HD11 LEU A 6 3.501 -0.143 0.158 1.00 3.34 H new ATOM 0 HD12 LEU A 6 2.938 -1.795 -0.191 1.00 3.34 H new ATOM 0 HD13 LEU A 6 4.670 -1.401 -0.308 1.00 3.34 H new ATOM 0 HD21 LEU A 6 4.259 1.330 -1.615 1.00 62.34 H new ATOM 0 HD22 LEU A 6 5.470 0.135 -2.140 1.00 62.34 H new ATOM 0 HD23 LEU A 6 4.294 0.783 -3.308 1.00 62.34 H new ATOM 91 N ARG A 7 4.100 -2.583 -6.431 1.00 51.24 N ATOM 92 CA ARG A 7 4.407 -3.697 -7.331 1.00 51.24 C ATOM 93 C ARG A 7 5.790 -4.241 -6.997 1.00 73.31 C ATOM 94 O ARG A 7 6.651 -3.504 -6.523 1.00 52.05 O ATOM 95 CB ARG A 7 4.340 -3.259 -8.806 1.00 24.33 C ATOM 96 CG ARG A 7 2.888 -3.166 -9.297 1.00 12.55 C ATOM 97 CD ARG A 7 2.779 -3.083 -10.825 1.00 53.53 C ATOM 98 NE ARG A 7 3.269 -1.812 -11.368 1.00 52.05 N ATOM 99 CZ ARG A 7 2.912 -1.273 -12.540 1.00 20.23 C ATOM 100 NH1 ARG A 7 2.197 -1.955 -13.434 1.00 62.44 N ATOM 101 NH2 ARG A 7 3.281 -0.033 -12.799 1.00 63.21 N ATOM 0 H ARG A 7 4.240 -1.658 -6.837 1.00 51.24 H new ATOM 0 HA ARG A 7 3.662 -4.480 -7.190 1.00 51.24 H new ATOM 0 HB2 ARG A 7 4.828 -2.291 -8.922 1.00 24.33 H new ATOM 0 HB3 ARG A 7 4.890 -3.969 -9.423 1.00 24.33 H new ATOM 0 HG2 ARG A 7 2.334 -4.036 -8.945 1.00 12.55 H new ATOM 0 HG3 ARG A 7 2.416 -2.288 -8.856 1.00 12.55 H new ATOM 0 HD2 ARG A 7 3.344 -3.903 -11.269 1.00 53.53 H new ATOM 0 HD3 ARG A 7 1.738 -3.219 -11.117 1.00 53.53 H new ATOM 0 HE ARG A 7 3.941 -1.293 -10.803 1.00 52.05 H new ATOM 0 HH11 ARG A 7 1.908 -2.912 -13.233 1.00 62.44 H new ATOM 0 HH12 ARG A 7 1.939 -1.520 -14.320 1.00 62.44 H new ATOM 0 HH21 ARG A 7 3.825 0.491 -12.114 1.00 63.21 H new ATOM 0 HH22 ARG A 7 3.022 0.402 -13.685 1.00 63.21 H new ATOM 112 N MET A 8 6.022 -5.506 -7.347 1.00 33.43 N ATOM 113 CA MET A 8 7.311 -6.190 -7.256 1.00 21.14 C ATOM 114 C MET A 8 7.703 -6.536 -5.810 1.00 3.22 C ATOM 115 O MET A 8 8.878 -6.733 -5.511 1.00 5.13 O ATOM 116 CB MET A 8 8.425 -5.459 -8.040 1.00 21.50 C ATOM 117 CG MET A 8 7.939 -4.888 -9.381 1.00 1.33 C ATOM 118 SD MET A 8 9.190 -4.711 -10.679 1.00 33.21 S ATOM 119 CE MET A 8 10.432 -3.730 -9.794 1.00 21.45 C ATOM 0 H MET A 8 5.286 -6.107 -7.717 1.00 33.43 H new ATOM 0 HA MET A 8 7.185 -7.151 -7.754 1.00 21.14 H new ATOM 0 HB2 MET A 8 8.820 -4.648 -7.428 1.00 21.50 H new ATOM 0 HB3 MET A 8 9.247 -6.151 -8.223 1.00 21.50 H new ATOM 0 HG2 MET A 8 7.143 -5.531 -9.758 1.00 1.33 H new ATOM 0 HG3 MET A 8 7.497 -3.909 -9.196 1.00 1.33 H new ATOM 0 HE1 MET A 8 11.096 -3.249 -10.513 1.00 21.45 H new ATOM 0 HE2 MET A 8 9.934 -2.968 -9.194 1.00 21.45 H new ATOM 0 HE3 MET A 8 11.014 -4.382 -9.142 1.00 21.45 H new ATOM 127 N LEU A 9 6.732 -6.685 -4.903 1.00 13.02 N ATOM 128 CA LEU A 9 6.990 -7.241 -3.575 1.00 25.11 C ATOM 129 C LEU A 9 7.382 -8.723 -3.697 1.00 13.24 C ATOM 130 O LEU A 9 7.008 -9.376 -4.680 1.00 60.35 O ATOM 131 CB LEU A 9 5.752 -7.050 -2.674 1.00 63.11 C ATOM 132 CG LEU A 9 5.814 -5.695 -1.950 1.00 3.33 C ATOM 133 CD1 LEU A 9 4.430 -5.249 -1.492 1.00 0.24 C ATOM 134 CD2 LEU A 9 6.730 -5.770 -0.724 1.00 12.42 C ATOM 0 H LEU A 9 5.759 -6.427 -5.067 1.00 13.02 H new ATOM 0 HA LEU A 9 7.823 -6.712 -3.111 1.00 25.11 H new ATOM 0 HB2 LEU A 9 4.845 -7.106 -3.276 1.00 63.11 H new ATOM 0 HB3 LEU A 9 5.699 -7.857 -1.943 1.00 63.11 H new ATOM 0 HG LEU A 9 6.211 -4.973 -2.663 1.00 3.33 H new ATOM 0 HD11 LEU A 9 4.507 -4.288 -0.984 1.00 0.24 H new ATOM 0 HD12 LEU A 9 3.775 -5.150 -2.357 1.00 0.24 H new ATOM 0 HD13 LEU A 9 4.017 -5.990 -0.807 1.00 0.24 H new ATOM 0 HD21 LEU A 9 6.757 -4.799 -0.230 1.00 12.42 H new ATOM 0 HD22 LEU A 9 6.349 -6.520 -0.031 1.00 12.42 H new ATOM 0 HD23 LEU A 9 7.737 -6.045 -1.038 1.00 12.42 H new ATOM 145 N PRO A 10 8.091 -9.289 -2.704 1.00 20.14 N ATOM 146 CA PRO A 10 8.300 -10.720 -2.600 1.00 34.34 C ATOM 147 C PRO A 10 7.015 -11.408 -2.144 1.00 41.23 C ATOM 148 O PRO A 10 6.046 -10.769 -1.725 1.00 42.24 O ATOM 149 CB PRO A 10 9.416 -10.904 -1.573 1.00 32.34 C ATOM 150 CG PRO A 10 9.305 -9.680 -0.672 1.00 24.33 C ATOM 151 CD PRO A 10 8.604 -8.622 -1.521 1.00 41.35 C ATOM 0 HA PRO A 10 8.572 -11.163 -3.558 1.00 34.34 H new ATOM 0 HB2 PRO A 10 9.288 -11.827 -1.008 1.00 32.34 H new ATOM 0 HB3 PRO A 10 10.393 -10.957 -2.053 1.00 32.34 H new ATOM 0 HG2 PRO A 10 8.734 -9.904 0.229 1.00 24.33 H new ATOM 0 HG3 PRO A 10 10.288 -9.338 -0.349 1.00 24.33 H new ATOM 0 HD2 PRO A 10 7.794 -8.155 -0.961 1.00 41.35 H new ATOM 0 HD3 PRO A 10 9.299 -7.829 -1.798 1.00 41.35 H new ATOM 156 N GLN A 11 7.043 -12.735 -2.166 1.00 34.53 N ATOM 157 CA GLN A 11 5.984 -13.560 -1.592 1.00 11.12 C ATOM 158 C GLN A 11 6.029 -13.489 -0.062 1.00 51.12 C ATOM 159 O GLN A 11 4.982 -13.487 0.582 1.00 51.32 O ATOM 160 CB GLN A 11 6.119 -14.999 -2.126 1.00 41.23 C ATOM 161 CG GLN A 11 5.093 -16.005 -1.612 1.00 75.25 C ATOM 162 CD GLN A 11 3.672 -15.519 -1.866 1.00 11.14 C ATOM 163 OE1 GLN A 11 3.310 -15.020 -2.931 1.00 0.33 O ATOM 164 NE2 GLN A 11 2.849 -15.579 -0.848 1.00 71.41 N ATOM 0 H GLN A 11 7.803 -13.272 -2.584 1.00 34.53 H new ATOM 0 HA GLN A 11 5.006 -13.185 -1.893 1.00 11.12 H new ATOM 0 HB2 GLN A 11 6.055 -14.969 -3.214 1.00 41.23 H new ATOM 0 HB3 GLN A 11 7.114 -15.366 -1.876 1.00 41.23 H new ATOM 0 HG2 GLN A 11 5.245 -16.966 -2.103 1.00 75.25 H new ATOM 0 HG3 GLN A 11 5.240 -16.165 -0.544 1.00 75.25 H new ATOM 0 HE21 GLN A 11 3.156 -15.994 0.032 1.00 71.41 H new ATOM 0 HE22 GLN A 11 1.902 -15.211 -0.936 1.00 71.41 H new ATOM 171 N ALA A 12 7.232 -13.409 0.509 1.00 61.23 N ATOM 172 CA ALA A 12 7.464 -13.543 1.938 1.00 45.41 C ATOM 173 C ALA A 12 7.062 -12.321 2.773 1.00 2.52 C ATOM 174 O ALA A 12 6.898 -12.481 3.984 1.00 1.31 O ATOM 175 CB ALA A 12 8.952 -13.839 2.140 1.00 31.12 C ATOM 0 H ALA A 12 8.086 -13.246 -0.025 1.00 61.23 H new ATOM 0 HA ALA A 12 6.825 -14.351 2.294 1.00 45.41 H new ATOM 0 HB1 ALA A 12 9.161 -13.946 3.205 1.00 31.12 H new ATOM 0 HB2 ALA A 12 9.212 -14.764 1.625 1.00 31.12 H new ATOM 0 HB3 ALA A 12 9.544 -13.019 1.735 1.00 31.12 H new ATOM 181 N ALA A 13 6.953 -11.124 2.175 1.00 33.11 N ATOM 182 CA ALA A 13 6.653 -9.900 2.927 1.00 62.23 C ATOM 183 C ALA A 13 5.304 -10.016 3.641 1.00 5.25 C ATOM 184 O ALA A 13 4.432 -10.767 3.195 1.00 4.34 O ATOM 185 CB ALA A 13 6.642 -8.690 1.987 1.00 53.54 C ATOM 0 H ALA A 13 7.069 -10.980 1.172 1.00 33.11 H new ATOM 0 HA ALA A 13 7.432 -9.763 3.678 1.00 62.23 H new ATOM 0 HB1 ALA A 13 6.418 -7.788 2.557 1.00 53.54 H new ATOM 0 HB2 ALA A 13 7.619 -8.587 1.514 1.00 53.54 H new ATOM 0 HB3 ALA A 13 5.881 -8.832 1.220 1.00 53.54 H new ATOM 191 N THR A 14 5.090 -9.226 4.692 1.00 14.24 N ATOM 192 CA THR A 14 3.883 -9.298 5.503 1.00 52.03 C ATOM 193 C THR A 14 3.221 -7.932 5.546 1.00 41.12 C ATOM 194 O THR A 14 3.840 -6.918 5.220 1.00 20.10 O ATOM 195 CB THR A 14 4.265 -9.807 6.910 1.00 44.03 C ATOM 196 OG1 THR A 14 5.401 -9.110 7.391 1.00 40.54 O ATOM 197 CG2 THR A 14 4.590 -11.300 6.887 1.00 53.11 C ATOM 0 H THR A 14 5.753 -8.517 5.003 1.00 14.24 H new ATOM 0 HA THR A 14 3.163 -9.994 5.073 1.00 52.03 H new ATOM 0 HB THR A 14 3.410 -9.634 7.564 1.00 44.03 H new ATOM 0 HG1 THR A 14 5.633 -9.440 8.284 1.00 40.54 H new ATOM 0 HG21 THR A 14 4.855 -11.630 7.891 1.00 53.11 H new ATOM 0 HG22 THR A 14 3.719 -11.857 6.540 1.00 53.11 H new ATOM 0 HG23 THR A 14 5.427 -11.480 6.213 1.00 53.11 H new ATOM 205 N GLU A 15 1.959 -7.909 5.980 1.00 2.40 N ATOM 206 CA GLU A 15 1.257 -6.672 6.272 1.00 73.23 C ATOM 207 C GLU A 15 2.056 -5.846 7.288 1.00 41.14 C ATOM 208 O GLU A 15 2.060 -4.618 7.243 1.00 32.22 O ATOM 209 CB GLU A 15 -0.147 -7.004 6.826 1.00 64.43 C ATOM 210 CG GLU A 15 -1.252 -6.548 5.872 1.00 3.41 C ATOM 211 CD GLU A 15 -2.654 -6.809 6.435 1.00 15.45 C ATOM 212 OE1 GLU A 15 -3.086 -6.058 7.342 1.00 11.02 O ATOM 213 OE2 GLU A 15 -3.318 -7.793 6.026 1.00 54.42 O ATOM 0 H GLU A 15 1.402 -8.749 6.136 1.00 2.40 H new ATOM 0 HA GLU A 15 1.150 -6.084 5.360 1.00 73.23 H new ATOM 0 HB2 GLU A 15 -0.229 -8.078 6.991 1.00 64.43 H new ATOM 0 HB3 GLU A 15 -0.280 -6.522 7.794 1.00 64.43 H new ATOM 0 HG2 GLU A 15 -1.137 -5.483 5.670 1.00 3.41 H new ATOM 0 HG3 GLU A 15 -1.143 -7.067 4.920 1.00 3.41 H new ATOM 218 N ASP A 16 2.733 -6.537 8.206 1.00 62.43 N ATOM 219 CA ASP A 16 3.368 -5.923 9.355 1.00 22.32 C ATOM 220 C ASP A 16 4.720 -5.288 9.016 1.00 43.01 C ATOM 221 O ASP A 16 5.096 -4.286 9.626 1.00 25.22 O ATOM 222 CB ASP A 16 3.503 -6.983 10.452 1.00 41.21 C ATOM 223 CG ASP A 16 3.601 -6.382 11.851 1.00 22.20 C ATOM 224 OD1 ASP A 16 2.909 -5.377 12.135 1.00 21.33 O ATOM 225 OD2 ASP A 16 4.284 -6.997 12.699 1.00 63.35 O ATOM 0 H ASP A 16 2.853 -7.549 8.165 1.00 62.43 H new ATOM 0 HA ASP A 16 2.743 -5.101 9.704 1.00 22.32 H new ATOM 0 HB2 ASP A 16 2.645 -7.654 10.410 1.00 41.21 H new ATOM 0 HB3 ASP A 16 4.389 -7.587 10.259 1.00 41.21 H new ATOM 229 N ASP A 17 5.403 -5.812 7.987 1.00 34.43 N ATOM 230 CA ASP A 17 6.639 -5.230 7.448 1.00 61.12 C ATOM 231 C ASP A 17 6.342 -3.816 6.962 1.00 60.33 C ATOM 232 O ASP A 17 7.040 -2.846 7.254 1.00 60.45 O ATOM 233 CB ASP A 17 7.190 -6.055 6.270 1.00 32.35 C ATOM 234 CG ASP A 17 8.683 -6.353 6.434 1.00 33.12 C ATOM 235 OD1 ASP A 17 9.526 -5.426 6.476 1.00 43.02 O ATOM 236 OD2 ASP A 17 9.029 -7.553 6.514 1.00 74.34 O ATOM 0 H ASP A 17 5.109 -6.660 7.502 1.00 34.43 H new ATOM 0 HA ASP A 17 7.388 -5.225 8.239 1.00 61.12 H new ATOM 0 HB2 ASP A 17 6.639 -6.992 6.193 1.00 32.35 H new ATOM 0 HB3 ASP A 17 7.028 -5.512 5.339 1.00 32.35 H new ATOM 240 N ILE A 18 5.244 -3.719 6.212 1.00 1.51 N ATOM 241 CA ILE A 18 4.766 -2.491 5.615 1.00 3.42 C ATOM 242 C ILE A 18 4.384 -1.514 6.731 1.00 35.30 C ATOM 243 O ILE A 18 4.769 -0.349 6.656 1.00 13.13 O ATOM 244 CB ILE A 18 3.620 -2.823 4.635 1.00 20.43 C ATOM 245 CG1 ILE A 18 4.136 -3.790 3.545 1.00 33.11 C ATOM 246 CG2 ILE A 18 3.052 -1.540 4.009 1.00 24.30 C ATOM 247 CD1 ILE A 18 3.211 -3.967 2.336 1.00 73.32 C ATOM 0 H ILE A 18 4.651 -4.522 6.002 1.00 1.51 H new ATOM 0 HA ILE A 18 5.536 -1.995 5.025 1.00 3.42 H new ATOM 0 HB ILE A 18 2.812 -3.309 5.182 1.00 20.43 H new ATOM 0 HG12 ILE A 18 5.103 -3.431 3.192 1.00 33.11 H new ATOM 0 HG13 ILE A 18 4.304 -4.767 3.999 1.00 33.11 H new ATOM 0 HG21 ILE A 18 2.246 -1.797 3.322 1.00 24.30 H new ATOM 0 HG22 ILE A 18 2.666 -0.892 4.795 1.00 24.30 H new ATOM 0 HG23 ILE A 18 3.841 -1.020 3.465 1.00 24.30 H new ATOM 0 HD11 ILE A 18 3.664 -4.664 1.631 1.00 73.32 H new ATOM 0 HD12 ILE A 18 2.250 -4.360 2.668 1.00 73.32 H new ATOM 0 HD13 ILE A 18 3.061 -3.004 1.849 1.00 73.32 H new ATOM 258 N ARG A 19 3.667 -1.962 7.774 1.00 40.23 N ATOM 259 CA ARG A 19 3.346 -1.122 8.938 1.00 71.31 C ATOM 260 C ARG A 19 4.621 -0.494 9.501 1.00 14.35 C ATOM 261 O ARG A 19 4.624 0.706 9.780 1.00 11.21 O ATOM 262 CB ARG A 19 2.549 -1.917 9.989 1.00 25.55 C ATOM 263 CG ARG A 19 1.126 -2.215 9.493 1.00 34.42 C ATOM 264 CD ARG A 19 0.469 -3.371 10.256 1.00 63.22 C ATOM 265 NE ARG A 19 -0.242 -2.950 11.473 1.00 60.44 N ATOM 266 CZ ARG A 19 -0.375 -3.675 12.590 1.00 73.11 C ATOM 267 NH1 ARG A 19 0.331 -4.777 12.793 1.00 32.12 N ATOM 268 NH2 ARG A 19 -1.246 -3.295 13.514 1.00 71.23 N ATOM 0 H ARG A 19 3.296 -2.910 7.834 1.00 40.23 H new ATOM 0 HA ARG A 19 2.699 -0.303 8.624 1.00 71.31 H new ATOM 0 HB2 ARG A 19 3.064 -2.852 10.210 1.00 25.55 H new ATOM 0 HB3 ARG A 19 2.502 -1.351 10.919 1.00 25.55 H new ATOM 0 HG2 ARG A 19 0.513 -1.320 9.598 1.00 34.42 H new ATOM 0 HG3 ARG A 19 1.158 -2.457 8.431 1.00 34.42 H new ATOM 0 HD2 ARG A 19 -0.232 -3.879 9.594 1.00 63.22 H new ATOM 0 HD3 ARG A 19 1.235 -4.097 10.527 1.00 63.22 H new ATOM 0 HE ARG A 19 -0.671 -2.025 11.465 1.00 60.44 H new ATOM 0 HH11 ARG A 19 0.997 -5.093 12.088 1.00 32.12 H new ATOM 0 HH12 ARG A 19 0.209 -5.310 13.654 1.00 32.12 H new ATOM 0 HH21 ARG A 19 -1.808 -2.456 13.371 1.00 71.23 H new ATOM 0 HH22 ARG A 19 -1.354 -3.841 14.368 1.00 71.23 H new ATOM 279 N GLY A 20 5.714 -1.255 9.578 1.00 53.45 N ATOM 280 CA GLY A 20 7.010 -0.743 9.994 1.00 60.34 C ATOM 281 C GLY A 20 7.479 0.410 9.111 1.00 32.53 C ATOM 282 O GLY A 20 7.854 1.465 9.630 1.00 15.30 O ATOM 0 H GLY A 20 5.719 -2.249 9.351 1.00 53.45 H new ATOM 0 HA2 GLY A 20 6.952 -0.406 11.029 1.00 60.34 H new ATOM 0 HA3 GLY A 20 7.745 -1.547 9.961 1.00 60.34 H new ATOM 286 N GLN A 21 7.448 0.231 7.789 1.00 40.32 N ATOM 287 CA GLN A 21 7.960 1.196 6.824 1.00 54.04 C ATOM 288 C GLN A 21 7.159 2.494 6.843 1.00 63.23 C ATOM 289 O GLN A 21 7.731 3.576 6.691 1.00 71.12 O ATOM 290 CB GLN A 21 7.875 0.589 5.419 1.00 22.35 C ATOM 291 CG GLN A 21 8.989 -0.420 5.117 1.00 24.12 C ATOM 292 CD GLN A 21 9.867 0.120 4.001 1.00 51.54 C ATOM 293 OE1 GLN A 21 9.629 -0.167 2.832 1.00 53.11 O ATOM 294 NE2 GLN A 21 10.801 0.996 4.327 1.00 0.43 N ATOM 0 H GLN A 21 7.058 -0.606 7.355 1.00 40.32 H new ATOM 0 HA GLN A 21 8.991 1.425 7.092 1.00 54.04 H new ATOM 0 HB2 GLN A 21 6.909 0.097 5.303 1.00 22.35 H new ATOM 0 HB3 GLN A 21 7.914 1.392 4.683 1.00 22.35 H new ATOM 0 HG2 GLN A 21 9.586 -0.598 6.011 1.00 24.12 H new ATOM 0 HG3 GLN A 21 8.558 -1.378 4.825 1.00 24.12 H new ATOM 0 HE21 GLN A 21 10.976 1.214 5.308 1.00 0.43 H new ATOM 0 HE22 GLN A 21 11.347 1.454 3.598 1.00 0.43 H new ATOM 301 N LEU A 22 5.838 2.394 6.981 1.00 11.53 N ATOM 302 CA LEU A 22 4.948 3.547 7.017 1.00 13.05 C ATOM 303 C LEU A 22 5.291 4.381 8.242 1.00 24.40 C ATOM 304 O LEU A 22 5.559 5.583 8.147 1.00 42.02 O ATOM 305 CB LEU A 22 3.482 3.095 7.082 1.00 51.22 C ATOM 306 CG LEU A 22 3.050 2.258 5.864 1.00 24.24 C ATOM 307 CD1 LEU A 22 1.925 1.301 6.251 1.00 2.25 C ATOM 308 CD2 LEU A 22 2.601 3.169 4.738 1.00 1.32 C ATOM 0 H LEU A 22 5.354 1.501 7.072 1.00 11.53 H new ATOM 0 HA LEU A 22 5.078 4.139 6.111 1.00 13.05 H new ATOM 0 HB2 LEU A 22 3.329 2.510 7.989 1.00 51.22 H new ATOM 0 HB3 LEU A 22 2.841 3.973 7.157 1.00 51.22 H new ATOM 0 HG LEU A 22 3.903 1.671 5.522 1.00 24.24 H new ATOM 0 HD11 LEU A 22 1.630 0.716 5.380 1.00 2.25 H new ATOM 0 HD12 LEU A 22 2.272 0.631 7.038 1.00 2.25 H new ATOM 0 HD13 LEU A 22 1.069 1.872 6.612 1.00 2.25 H new ATOM 0 HD21 LEU A 22 2.298 2.567 3.882 1.00 1.32 H new ATOM 0 HD22 LEU A 22 1.758 3.774 5.073 1.00 1.32 H new ATOM 0 HD23 LEU A 22 3.424 3.823 4.449 1.00 1.32 H new ATOM 319 N GLN A 23 5.341 3.714 9.395 1.00 52.14 N ATOM 320 CA GLN A 23 5.623 4.363 10.654 1.00 55.54 C ATOM 321 C GLN A 23 7.045 4.918 10.707 1.00 1.14 C ATOM 322 O GLN A 23 7.234 5.925 11.392 1.00 31.12 O ATOM 323 CB GLN A 23 5.316 3.409 11.810 1.00 32.43 C ATOM 324 CG GLN A 23 3.797 3.185 11.918 1.00 71.45 C ATOM 325 CD GLN A 23 3.411 2.489 13.215 1.00 60.12 C ATOM 326 OE1 GLN A 23 4.182 1.712 13.779 1.00 73.44 O ATOM 327 NE2 GLN A 23 2.243 2.796 13.750 1.00 43.23 N ATOM 0 H GLN A 23 5.186 2.709 9.472 1.00 52.14 H new ATOM 0 HA GLN A 23 4.969 5.230 10.753 1.00 55.54 H new ATOM 0 HB2 GLN A 23 5.822 2.457 11.651 1.00 32.43 H new ATOM 0 HB3 GLN A 23 5.699 3.821 12.744 1.00 32.43 H new ATOM 0 HG2 GLN A 23 3.284 4.145 11.856 1.00 71.45 H new ATOM 0 HG3 GLN A 23 3.458 2.587 11.072 1.00 71.45 H new ATOM 0 HE21 GLN A 23 1.616 3.441 13.270 1.00 43.23 H new ATOM 0 HE22 GLN A 23 1.968 2.388 14.643 1.00 43.23 H new ATOM 334 N SER A 24 8.017 4.392 9.945 1.00 31.22 N ATOM 335 CA SER A 24 9.341 4.994 9.944 1.00 33.43 C ATOM 336 C SER A 24 9.305 6.394 9.315 1.00 0.34 C ATOM 337 O SER A 24 9.931 7.319 9.838 1.00 23.30 O ATOM 338 CB SER A 24 10.340 4.048 9.274 1.00 11.03 C ATOM 339 OG SER A 24 11.657 4.368 9.676 1.00 52.11 O ATOM 0 H SER A 24 7.909 3.576 9.342 1.00 31.22 H new ATOM 0 HA SER A 24 9.681 5.139 10.969 1.00 33.43 H new ATOM 0 HB2 SER A 24 10.111 3.016 9.541 1.00 11.03 H new ATOM 0 HB3 SER A 24 10.254 4.124 8.190 1.00 11.03 H new ATOM 0 HG SER A 24 12.289 3.756 9.244 1.00 52.11 H new ATOM 344 N HIS A 25 8.498 6.611 8.268 1.00 60.21 N ATOM 345 CA HIS A 25 8.245 7.956 7.741 1.00 13.25 C ATOM 346 C HIS A 25 7.265 8.756 8.605 1.00 2.34 C ATOM 347 O HIS A 25 7.114 9.966 8.401 1.00 3.20 O ATOM 348 CB HIS A 25 7.772 7.887 6.289 1.00 15.11 C ATOM 349 CG HIS A 25 8.888 7.554 5.352 1.00 15.11 C ATOM 350 ND1 HIS A 25 9.805 8.427 4.812 1.00 45.01 N ATOM 351 CD2 HIS A 25 9.221 6.288 4.983 1.00 24.33 C ATOM 352 CE1 HIS A 25 10.697 7.686 4.133 1.00 13.33 C ATOM 353 NE2 HIS A 25 10.388 6.376 4.220 1.00 35.22 N ATOM 0 H HIS A 25 8.008 5.869 7.769 1.00 60.21 H new ATOM 0 HA HIS A 25 9.193 8.493 7.773 1.00 13.25 H new ATOM 0 HB2 HIS A 25 6.987 7.137 6.199 1.00 15.11 H new ATOM 0 HB3 HIS A 25 7.333 8.843 6.005 1.00 15.11 H new ATOM 0 HD2 HIS A 25 8.684 5.385 5.233 1.00 24.33 H new ATOM 0 HE1 HIS A 25 11.543 8.084 3.593 1.00 13.33 H new ATOM 0 HE2 HIS A 25 10.906 5.600 3.808 1.00 35.22 H new ATOM 360 N GLY A 26 6.633 8.125 9.595 1.00 71.31 N ATOM 361 CA GLY A 26 5.673 8.772 10.471 1.00 41.14 C ATOM 362 C GLY A 26 4.403 9.045 9.684 1.00 4.04 C ATOM 363 O GLY A 26 3.918 10.176 9.655 1.00 40.53 O ATOM 0 H GLY A 26 6.780 7.138 9.808 1.00 71.31 H new ATOM 0 HA2 GLY A 26 5.456 8.136 11.329 1.00 41.14 H new ATOM 0 HA3 GLY A 26 6.084 9.704 10.860 1.00 41.14 H new ATOM 367 N VAL A 27 3.921 8.023 8.980 1.00 32.23 N ATOM 368 CA VAL A 27 2.698 8.076 8.200 1.00 4.04 C ATOM 369 C VAL A 27 1.827 6.944 8.743 1.00 2.30 C ATOM 370 O VAL A 27 2.288 5.802 8.817 1.00 13.03 O ATOM 371 CB VAL A 27 2.988 7.913 6.686 1.00 5.30 C ATOM 372 CG1 VAL A 27 1.875 8.592 5.885 1.00 21.42 C ATOM 373 CG2 VAL A 27 4.343 8.458 6.207 1.00 33.23 C ATOM 0 H VAL A 27 4.385 7.116 8.939 1.00 32.23 H new ATOM 0 HA VAL A 27 2.196 9.039 8.292 1.00 4.04 H new ATOM 0 HB VAL A 27 3.027 6.837 6.517 1.00 5.30 H new ATOM 0 HG11 VAL A 27 2.074 8.480 4.819 1.00 21.42 H new ATOM 0 HG12 VAL A 27 0.918 8.128 6.126 1.00 21.42 H new ATOM 0 HG13 VAL A 27 1.839 9.652 6.138 1.00 21.42 H new ATOM 0 HG21 VAL A 27 4.443 8.293 5.134 1.00 33.23 H new ATOM 0 HG22 VAL A 27 4.400 9.526 6.416 1.00 33.23 H new ATOM 0 HG23 VAL A 27 5.148 7.942 6.730 1.00 33.23 H new ATOM 383 N GLN A 28 0.587 7.234 9.142 1.00 64.25 N ATOM 384 CA GLN A 28 -0.374 6.167 9.404 1.00 72.33 C ATOM 385 C GLN A 28 -0.721 5.549 8.042 1.00 40.31 C ATOM 386 O GLN A 28 -0.962 6.305 7.087 1.00 35.43 O ATOM 387 CB GLN A 28 -1.622 6.718 10.133 1.00 74.22 C ATOM 388 CG GLN A 28 -2.567 7.538 9.235 1.00 2.05 C ATOM 389 CD GLN A 28 -3.640 8.320 9.993 1.00 63.52 C ATOM 390 OE1 GLN A 28 -4.106 7.929 11.062 1.00 3.32 O ATOM 391 NE2 GLN A 28 -4.023 9.476 9.479 1.00 2.33 N ATOM 0 H GLN A 28 0.232 8.179 9.288 1.00 64.25 H new ATOM 0 HA GLN A 28 0.042 5.407 10.065 1.00 72.33 H new ATOM 0 HB2 GLN A 28 -2.178 5.883 10.560 1.00 74.22 H new ATOM 0 HB3 GLN A 28 -1.297 7.343 10.965 1.00 74.22 H new ATOM 0 HG2 GLN A 28 -1.973 8.237 8.647 1.00 2.05 H new ATOM 0 HG3 GLN A 28 -3.055 6.864 8.531 1.00 2.05 H new ATOM 0 HE21 GLN A 28 -3.632 9.794 8.592 1.00 2.33 H new ATOM 0 HE22 GLN A 28 -4.709 10.050 9.969 1.00 2.33 H new ATOM 398 N ALA A 29 -0.810 4.216 7.947 1.00 3.02 N ATOM 399 CA ALA A 29 -1.668 3.595 6.985 1.00 31.15 C ATOM 400 C ALA A 29 -3.084 3.637 7.513 1.00 75.24 C ATOM 401 O ALA A 29 -3.320 3.284 8.671 1.00 22.23 O ATOM 402 CB ALA A 29 -1.293 2.164 6.606 1.00 24.44 C ATOM 0 H ALA A 29 -0.290 3.564 8.534 1.00 3.02 H new ATOM 0 HA ALA A 29 -1.559 4.163 6.061 1.00 31.15 H new ATOM 0 HB1 ALA A 29 -2.004 1.784 5.872 1.00 24.44 H new ATOM 0 HB2 ALA A 29 -0.290 2.151 6.180 1.00 24.44 H new ATOM 0 HB3 ALA A 29 -1.317 1.534 7.495 1.00 24.44 H new ATOM 408 N ARG A 30 -4.029 4.021 6.655 1.00 24.54 N ATOM 409 CA ARG A 30 -5.431 3.830 6.981 1.00 72.31 C ATOM 410 C ARG A 30 -5.785 2.353 6.810 1.00 53.03 C ATOM 411 O ARG A 30 -6.484 1.784 7.650 1.00 63.24 O ATOM 412 CB ARG A 30 -6.302 4.750 6.120 1.00 72.41 C ATOM 413 CG ARG A 30 -7.702 4.842 6.727 1.00 61.52 C ATOM 414 CD ARG A 30 -8.692 5.572 5.816 1.00 61.14 C ATOM 415 NE ARG A 30 -10.045 5.419 6.361 1.00 53.01 N ATOM 416 CZ ARG A 30 -10.724 4.265 6.389 1.00 12.21 C ATOM 417 NH1 ARG A 30 -10.359 3.236 5.624 1.00 13.12 N ATOM 418 NH2 ARG A 30 -11.743 4.138 7.224 1.00 21.22 N ATOM 0 H ARG A 30 -3.850 4.456 5.750 1.00 24.54 H new ATOM 0 HA ARG A 30 -5.622 4.101 8.019 1.00 72.31 H new ATOM 0 HB2 ARG A 30 -5.854 5.742 6.061 1.00 72.41 H new ATOM 0 HB3 ARG A 30 -6.360 4.365 5.102 1.00 72.41 H new ATOM 0 HG2 ARG A 30 -8.073 3.837 6.929 1.00 61.52 H new ATOM 0 HG3 ARG A 30 -7.645 5.360 7.685 1.00 61.52 H new ATOM 0 HD2 ARG A 30 -8.431 6.628 5.747 1.00 61.14 H new ATOM 0 HD3 ARG A 30 -8.645 5.165 4.806 1.00 61.14 H new ATOM 0 HE ARG A 30 -10.500 6.248 6.745 1.00 53.01 H new ATOM 0 HH11 ARG A 30 -9.552 3.321 5.006 1.00 13.12 H new ATOM 0 HH12 ARG A 30 -10.887 2.364 5.657 1.00 13.12 H new ATOM 0 HH21 ARG A 30 -12.002 4.913 7.835 1.00 21.22 H new ATOM 0 HH22 ARG A 30 -12.270 3.265 7.257 1.00 21.22 H new ATOM 429 N GLU A 31 -5.301 1.711 5.743 1.00 43.03 N ATOM 430 CA GLU A 31 -5.584 0.302 5.501 1.00 14.32 C ATOM 431 C GLU A 31 -4.441 -0.328 4.712 1.00 43.01 C ATOM 432 O GLU A 31 -3.737 0.356 3.958 1.00 40.23 O ATOM 433 CB GLU A 31 -6.951 0.175 4.804 1.00 45.31 C ATOM 434 CG GLU A 31 -6.911 0.064 3.289 1.00 34.44 C ATOM 435 CD GLU A 31 -8.282 0.309 2.647 1.00 24.14 C ATOM 436 OE1 GLU A 31 -8.919 1.358 2.901 1.00 61.25 O ATOM 437 OE2 GLU A 31 -8.775 -0.601 1.946 1.00 2.22 O ATOM 0 H GLU A 31 -4.711 2.149 5.035 1.00 43.03 H new ATOM 0 HA GLU A 31 -5.649 -0.248 6.440 1.00 14.32 H new ATOM 0 HB2 GLU A 31 -7.460 -0.703 5.201 1.00 45.31 H new ATOM 0 HB3 GLU A 31 -7.556 1.042 5.070 1.00 45.31 H new ATOM 0 HG2 GLU A 31 -6.194 0.784 2.894 1.00 34.44 H new ATOM 0 HG3 GLU A 31 -6.554 -0.927 3.010 1.00 34.44 H new ATOM 442 N VAL A 32 -4.290 -1.645 4.841 1.00 32.55 N ATOM 443 CA VAL A 32 -3.221 -2.411 4.212 1.00 13.04 C ATOM 444 C VAL A 32 -3.843 -3.684 3.630 1.00 31.31 C ATOM 445 O VAL A 32 -4.579 -4.403 4.307 1.00 44.41 O ATOM 446 CB VAL A 32 -2.066 -2.705 5.203 1.00 63.21 C ATOM 447 CG1 VAL A 32 -0.804 -3.144 4.437 1.00 52.43 C ATOM 448 CG2 VAL A 32 -1.668 -1.489 6.058 1.00 23.43 C ATOM 0 H VAL A 32 -4.922 -2.220 5.398 1.00 32.55 H new ATOM 0 HA VAL A 32 -2.762 -1.835 3.408 1.00 13.04 H new ATOM 0 HB VAL A 32 -2.442 -3.490 5.859 1.00 63.21 H new ATOM 0 HG11 VAL A 32 -0.001 -3.347 5.145 1.00 52.43 H new ATOM 0 HG12 VAL A 32 -1.021 -4.046 3.865 1.00 52.43 H new ATOM 0 HG13 VAL A 32 -0.496 -2.349 3.757 1.00 52.43 H new ATOM 0 HG21 VAL A 32 -0.855 -1.766 6.729 1.00 23.43 H new ATOM 0 HG22 VAL A 32 -1.341 -0.678 5.407 1.00 23.43 H new ATOM 0 HG23 VAL A 32 -2.526 -1.160 6.645 1.00 23.43 H new ATOM 458 N ARG A 33 -3.537 -3.948 2.361 1.00 1.50 N ATOM 459 CA ARG A 33 -4.000 -5.063 1.548 1.00 42.21 C ATOM 460 C ARG A 33 -2.734 -5.721 1.019 1.00 62.45 C ATOM 461 O ARG A 33 -2.238 -5.306 -0.030 1.00 64.15 O ATOM 462 CB ARG A 33 -4.920 -4.528 0.434 1.00 5.54 C ATOM 463 CG ARG A 33 -6.316 -4.143 0.964 1.00 4.01 C ATOM 464 CD ARG A 33 -7.198 -3.530 -0.134 1.00 11.02 C ATOM 465 NE ARG A 33 -6.770 -2.165 -0.469 1.00 12.45 N ATOM 466 CZ ARG A 33 -7.547 -1.146 -0.858 1.00 12.45 C ATOM 467 NH1 ARG A 33 -8.847 -1.284 -1.083 1.00 34.42 N ATOM 468 NH2 ARG A 33 -6.973 0.040 -1.030 1.00 62.52 N ATOM 0 H ARG A 33 -2.910 -3.338 1.837 1.00 1.50 H new ATOM 0 HA ARG A 33 -4.593 -5.794 2.098 1.00 42.21 H new ATOM 0 HB2 ARG A 33 -4.457 -3.657 -0.030 1.00 5.54 H new ATOM 0 HB3 ARG A 33 -5.025 -5.285 -0.343 1.00 5.54 H new ATOM 0 HG2 ARG A 33 -6.806 -5.027 1.371 1.00 4.01 H new ATOM 0 HG3 ARG A 33 -6.210 -3.432 1.783 1.00 4.01 H new ATOM 0 HD2 ARG A 33 -7.157 -4.155 -1.026 1.00 11.02 H new ATOM 0 HD3 ARG A 33 -8.236 -3.516 0.197 1.00 11.02 H new ATOM 0 HE ARG A 33 -5.771 -1.972 -0.397 1.00 12.45 H new ATOM 0 HH11 ARG A 33 -9.292 -2.194 -0.961 1.00 34.42 H new ATOM 0 HH12 ARG A 33 -9.402 -0.480 -1.378 1.00 34.42 H new ATOM 0 HH21 ARG A 33 -5.972 0.151 -0.866 1.00 62.52 H new ATOM 0 HH22 ARG A 33 -7.533 0.840 -1.326 1.00 62.52 H new ATOM 479 N LEU A 34 -2.132 -6.642 1.779 1.00 24.35 N ATOM 480 CA LEU A 34 -0.914 -7.361 1.436 1.00 73.42 C ATOM 481 C LEU A 34 -1.045 -8.767 2.009 1.00 0.43 C ATOM 482 O LEU A 34 -1.128 -8.917 3.223 1.00 52.42 O ATOM 483 CB LEU A 34 0.279 -6.639 2.072 1.00 74.14 C ATOM 484 CG LEU A 34 1.650 -7.244 1.739 1.00 14.44 C ATOM 485 CD1 LEU A 34 1.971 -8.559 2.434 1.00 75.33 C ATOM 486 CD2 LEU A 34 1.913 -7.464 0.247 1.00 54.11 C ATOM 0 H LEU A 34 -2.502 -6.914 2.690 1.00 24.35 H new ATOM 0 HA LEU A 34 -0.762 -7.406 0.358 1.00 73.42 H new ATOM 0 HB2 LEU A 34 0.269 -5.598 1.750 1.00 74.14 H new ATOM 0 HB3 LEU A 34 0.151 -6.639 3.154 1.00 74.14 H new ATOM 0 HG LEU A 34 2.302 -6.460 2.123 1.00 14.44 H new ATOM 0 HD11 LEU A 34 2.961 -8.899 2.130 1.00 75.33 H new ATOM 0 HD12 LEU A 34 1.953 -8.413 3.514 1.00 75.33 H new ATOM 0 HD13 LEU A 34 1.229 -9.308 2.157 1.00 75.33 H new ATOM 0 HD21 LEU A 34 2.905 -7.894 0.112 1.00 54.11 H new ATOM 0 HD22 LEU A 34 1.164 -8.145 -0.158 1.00 54.11 H new ATOM 0 HD23 LEU A 34 1.857 -6.510 -0.277 1.00 54.11 H new ATOM 616 N ARG A 44 0.111 -11.829 -4.126 1.00 41.44 N ATOM 617 CA ARG A 44 0.599 -11.968 -5.501 1.00 41.23 C ATOM 618 C ARG A 44 2.010 -11.439 -5.731 1.00 63.11 C ATOM 619 O ARG A 44 2.511 -11.640 -6.841 1.00 33.44 O ATOM 620 CB ARG A 44 -0.378 -11.257 -6.453 1.00 3.42 C ATOM 621 CG ARG A 44 -1.749 -11.933 -6.569 1.00 1.51 C ATOM 622 CD ARG A 44 -1.678 -13.298 -7.267 1.00 23.35 C ATOM 623 NE ARG A 44 -3.000 -13.931 -7.398 1.00 14.15 N ATOM 624 CZ ARG A 44 -3.212 -15.213 -7.728 1.00 51.05 C ATOM 625 NH1 ARG A 44 -2.199 -16.040 -7.993 1.00 0.43 N ATOM 626 NH2 ARG A 44 -4.453 -15.680 -7.766 1.00 24.11 N ATOM 0 HA ARG A 44 0.649 -13.038 -5.700 1.00 41.23 H new ATOM 0 HB2 ARG A 44 -0.519 -10.232 -6.111 1.00 3.42 H new ATOM 0 HB3 ARG A 44 0.073 -11.203 -7.444 1.00 3.42 H new ATOM 0 HG2 ARG A 44 -2.172 -12.060 -5.573 1.00 1.51 H new ATOM 0 HG3 ARG A 44 -2.425 -11.281 -7.122 1.00 1.51 H new ATOM 0 HD2 ARG A 44 -1.238 -13.174 -8.256 1.00 23.35 H new ATOM 0 HD3 ARG A 44 -1.017 -13.957 -6.704 1.00 23.35 H new ATOM 0 HE ARG A 44 -3.819 -13.349 -7.224 1.00 14.15 H new ATOM 0 HH11 ARG A 44 -1.238 -15.701 -7.947 1.00 0.43 H new ATOM 0 HH12 ARG A 44 -2.385 -17.011 -8.242 1.00 0.43 H new ATOM 0 HH21 ARG A 44 -5.236 -15.065 -7.545 1.00 24.11 H new ATOM 0 HH22 ARG A 44 -4.624 -16.654 -8.016 1.00 24.11 H new ATOM 637 N GLY A 45 2.649 -10.793 -4.754 1.00 3.44 N ATOM 638 CA GLY A 45 3.845 -9.993 -4.994 1.00 20.25 C ATOM 639 C GLY A 45 3.487 -8.531 -5.248 1.00 73.44 C ATOM 640 O GLY A 45 4.214 -7.846 -5.971 1.00 5.22 O ATOM 0 H GLY A 45 2.351 -10.811 -3.779 1.00 3.44 H new ATOM 0 HA2 GLY A 45 4.512 -10.063 -4.134 1.00 20.25 H new ATOM 0 HA3 GLY A 45 4.387 -10.392 -5.851 1.00 20.25 H new ATOM 644 N PHE A 46 2.381 -8.033 -4.682 1.00 1.12 N ATOM 645 CA PHE A 46 2.101 -6.605 -4.603 1.00 62.43 C ATOM 646 C PHE A 46 1.274 -6.286 -3.353 1.00 13.10 C ATOM 647 O PHE A 46 0.749 -7.206 -2.726 1.00 14.14 O ATOM 648 CB PHE A 46 1.424 -6.095 -5.894 1.00 65.13 C ATOM 649 CG PHE A 46 0.136 -6.793 -6.290 1.00 34.43 C ATOM 650 CD1 PHE A 46 -1.028 -6.635 -5.513 1.00 61.32 C ATOM 651 CD2 PHE A 46 0.092 -7.587 -7.452 1.00 13.42 C ATOM 652 CE1 PHE A 46 -2.206 -7.322 -5.855 1.00 2.45 C ATOM 653 CE2 PHE A 46 -1.097 -8.246 -7.811 1.00 51.02 C ATOM 654 CZ PHE A 46 -2.243 -8.130 -7.003 1.00 23.32 C ATOM 0 H PHE A 46 1.656 -8.617 -4.266 1.00 1.12 H new ATOM 0 HA PHE A 46 3.048 -6.073 -4.513 1.00 62.43 H new ATOM 0 HB2 PHE A 46 1.216 -5.032 -5.776 1.00 65.13 H new ATOM 0 HB3 PHE A 46 2.134 -6.192 -6.715 1.00 65.13 H new ATOM 0 HD1 PHE A 46 -1.016 -5.984 -4.651 1.00 61.32 H new ATOM 0 HD2 PHE A 46 0.973 -7.690 -8.068 1.00 13.42 H new ATOM 0 HE1 PHE A 46 -3.084 -7.228 -5.234 1.00 2.45 H new ATOM 0 HE2 PHE A 46 -1.131 -8.843 -8.710 1.00 51.02 H new ATOM 0 HZ PHE A 46 -3.147 -8.660 -7.264 1.00 23.32 H new ATOM 663 N ALA A 47 1.120 -4.996 -3.026 1.00 51.45 N ATOM 664 CA ALA A 47 0.187 -4.468 -2.026 1.00 32.34 C ATOM 665 C ALA A 47 -0.703 -3.386 -2.652 1.00 62.54 C ATOM 666 O ALA A 47 -0.390 -2.915 -3.747 1.00 20.11 O ATOM 667 CB ALA A 47 0.945 -3.856 -0.839 1.00 13.21 C ATOM 0 H ALA A 47 1.668 -4.260 -3.472 1.00 51.45 H new ATOM 0 HA ALA A 47 -0.426 -5.297 -1.673 1.00 32.34 H new ATOM 0 HB1 ALA A 47 0.231 -3.471 -0.111 1.00 13.21 H new ATOM 0 HB2 ALA A 47 1.565 -4.620 -0.370 1.00 13.21 H new ATOM 0 HB3 ALA A 47 1.578 -3.042 -1.192 1.00 13.21 H new ATOM 673 N PHE A 48 -1.753 -2.956 -1.942 1.00 20.34 N ATOM 674 CA PHE A 48 -2.720 -1.926 -2.355 1.00 5.44 C ATOM 675 C PHE A 48 -2.956 -0.885 -1.231 1.00 51.01 C ATOM 676 O PHE A 48 -4.087 -0.478 -0.942 1.00 42.34 O ATOM 677 CB PHE A 48 -4.022 -2.613 -2.832 1.00 12.31 C ATOM 678 CG PHE A 48 -4.159 -2.805 -4.331 1.00 54.42 C ATOM 679 CD1 PHE A 48 -3.301 -3.678 -5.024 1.00 12.22 C ATOM 680 CD2 PHE A 48 -5.129 -2.072 -5.047 1.00 43.21 C ATOM 681 CE1 PHE A 48 -3.361 -3.767 -6.425 1.00 72.31 C ATOM 682 CE2 PHE A 48 -5.151 -2.121 -6.452 1.00 32.40 C ATOM 683 CZ PHE A 48 -4.257 -2.957 -7.145 1.00 5.55 C ATOM 0 H PHE A 48 -1.964 -3.334 -1.018 1.00 20.34 H new ATOM 0 HA PHE A 48 -2.315 -1.359 -3.193 1.00 5.44 H new ATOM 0 HB2 PHE A 48 -4.092 -3.589 -2.352 1.00 12.31 H new ATOM 0 HB3 PHE A 48 -4.870 -2.024 -2.482 1.00 12.31 H new ATOM 0 HD1 PHE A 48 -2.593 -4.283 -4.477 1.00 12.22 H new ATOM 0 HD2 PHE A 48 -5.854 -1.473 -4.516 1.00 43.21 H new ATOM 0 HE1 PHE A 48 -2.718 -4.458 -6.950 1.00 72.31 H new ATOM 0 HE2 PHE A 48 -5.857 -1.515 -7.001 1.00 32.40 H new ATOM 0 HZ PHE A 48 -4.259 -2.977 -8.225 1.00 5.55 H new ATOM 692 N VAL A 49 -1.887 -0.492 -0.545 1.00 61.12 N ATOM 693 CA VAL A 49 -1.872 0.316 0.685 1.00 52.43 C ATOM 694 C VAL A 49 -2.680 1.606 0.488 1.00 20.42 C ATOM 695 O VAL A 49 -2.604 2.202 -0.590 1.00 3.01 O ATOM 696 CB VAL A 49 -0.413 0.611 1.109 1.00 72.34 C ATOM 697 CG1 VAL A 49 -0.353 1.278 2.491 1.00 35.21 C ATOM 698 CG2 VAL A 49 0.415 -0.681 1.169 1.00 35.22 C ATOM 0 H VAL A 49 -0.945 -0.742 -0.847 1.00 61.12 H new ATOM 0 HA VAL A 49 -2.346 -0.246 1.490 1.00 52.43 H new ATOM 0 HB VAL A 49 -0.002 1.286 0.358 1.00 72.34 H new ATOM 0 HG11 VAL A 49 0.686 1.471 2.757 1.00 35.21 H new ATOM 0 HG12 VAL A 49 -0.902 2.220 2.465 1.00 35.21 H new ATOM 0 HG13 VAL A 49 -0.801 0.618 3.233 1.00 35.21 H new ATOM 0 HG21 VAL A 49 1.436 -0.445 1.469 1.00 35.22 H new ATOM 0 HG22 VAL A 49 -0.028 -1.364 1.894 1.00 35.22 H new ATOM 0 HG23 VAL A 49 0.426 -1.152 0.186 1.00 35.22 H new ATOM 708 N GLU A 50 -3.458 2.040 1.493 1.00 43.31 N ATOM 709 CA GLU A 50 -4.238 3.255 1.383 1.00 11.30 C ATOM 710 C GLU A 50 -4.012 4.152 2.597 1.00 63.23 C ATOM 711 O GLU A 50 -3.921 3.685 3.739 1.00 3.34 O ATOM 712 CB GLU A 50 -5.716 2.889 1.198 1.00 0.54 C ATOM 713 CG GLU A 50 -6.152 3.460 -0.134 1.00 33.21 C ATOM 714 CD GLU A 50 -7.661 3.457 -0.271 1.00 74.14 C ATOM 715 OE1 GLU A 50 -8.290 4.394 0.269 1.00 3.32 O ATOM 716 OE2 GLU A 50 -8.178 2.533 -0.939 1.00 44.21 O ATOM 0 H GLU A 50 -3.555 1.558 2.386 1.00 43.31 H new ATOM 0 HA GLU A 50 -3.916 3.824 0.511 1.00 11.30 H new ATOM 0 HB2 GLU A 50 -5.850 1.807 1.216 1.00 0.54 H new ATOM 0 HB3 GLU A 50 -6.319 3.299 2.009 1.00 0.54 H new ATOM 0 HG2 GLU A 50 -5.778 4.479 -0.234 1.00 33.21 H new ATOM 0 HG3 GLU A 50 -5.711 2.878 -0.943 1.00 33.21 H new ATOM 721 N PHE A 51 -3.929 5.454 2.329 1.00 4.22 N ATOM 722 CA PHE A 51 -3.650 6.481 3.321 1.00 52.41 C ATOM 723 C PHE A 51 -4.919 7.272 3.629 1.00 54.13 C ATOM 724 O PHE A 51 -5.822 7.359 2.795 1.00 21.22 O ATOM 725 CB PHE A 51 -2.538 7.387 2.783 1.00 73.14 C ATOM 726 CG PHE A 51 -1.198 6.682 2.707 1.00 2.11 C ATOM 727 CD1 PHE A 51 -0.819 5.971 1.553 1.00 71.33 C ATOM 728 CD2 PHE A 51 -0.345 6.691 3.824 1.00 33.43 C ATOM 729 CE1 PHE A 51 0.408 5.287 1.516 1.00 13.23 C ATOM 730 CE2 PHE A 51 0.891 6.028 3.778 1.00 11.43 C ATOM 731 CZ PHE A 51 1.268 5.333 2.621 1.00 32.45 C ATOM 0 H PHE A 51 -4.058 5.830 1.390 1.00 4.22 H new ATOM 0 HA PHE A 51 -3.316 6.028 4.254 1.00 52.41 H new ATOM 0 HB2 PHE A 51 -2.813 7.744 1.791 1.00 73.14 H new ATOM 0 HB3 PHE A 51 -2.447 8.264 3.424 1.00 73.14 H new ATOM 0 HD1 PHE A 51 -1.473 5.951 0.694 1.00 71.33 H new ATOM 0 HD2 PHE A 51 -0.642 7.211 4.723 1.00 33.43 H new ATOM 0 HE1 PHE A 51 0.688 4.726 0.636 1.00 13.23 H new ATOM 0 HE2 PHE A 51 1.551 6.053 4.633 1.00 11.43 H new ATOM 0 HZ PHE A 51 2.224 4.832 2.581 1.00 32.45 H new ATOM 740 N SER A 52 -4.979 7.888 4.810 1.00 22.22 N ATOM 741 CA SER A 52 -6.087 8.738 5.229 1.00 1.40 C ATOM 742 C SER A 52 -6.098 10.039 4.429 1.00 13.40 C ATOM 743 O SER A 52 -7.152 10.650 4.245 1.00 11.01 O ATOM 744 CB SER A 52 -5.955 9.053 6.730 1.00 75.53 C ATOM 745 OG SER A 52 -7.123 8.690 7.440 1.00 72.41 O ATOM 0 H SER A 52 -4.244 7.807 5.513 1.00 22.22 H new ATOM 0 HA SER A 52 -7.023 8.210 5.046 1.00 1.40 H new ATOM 0 HB2 SER A 52 -5.098 8.520 7.141 1.00 75.53 H new ATOM 0 HB3 SER A 52 -5.762 10.117 6.864 1.00 75.53 H new ATOM 0 HG SER A 52 -7.007 8.901 8.390 1.00 72.41 H new ATOM 750 N HIS A 53 -4.935 10.475 3.951 1.00 71.35 N ATOM 751 CA HIS A 53 -4.736 11.783 3.370 1.00 51.25 C ATOM 752 C HIS A 53 -4.117 11.585 1.997 1.00 64.23 C ATOM 753 O HIS A 53 -3.208 10.774 1.834 1.00 2.23 O ATOM 754 CB HIS A 53 -3.833 12.600 4.301 1.00 3.45 C ATOM 755 CG HIS A 53 -4.329 12.696 5.728 1.00 2.00 C ATOM 756 ND1 HIS A 53 -5.615 12.977 6.141 1.00 14.31 N ATOM 757 CD2 HIS A 53 -3.583 12.459 6.853 1.00 62.34 C ATOM 758 CE1 HIS A 53 -5.635 12.930 7.483 1.00 53.11 C ATOM 759 NE2 HIS A 53 -4.419 12.623 7.961 1.00 2.20 N ATOM 0 H HIS A 53 -4.088 9.907 3.961 1.00 71.35 H new ATOM 0 HA HIS A 53 -5.672 12.330 3.255 1.00 51.25 H new ATOM 0 HB2 HIS A 53 -2.838 12.155 4.304 1.00 3.45 H new ATOM 0 HB3 HIS A 53 -3.731 13.607 3.896 1.00 3.45 H new ATOM 0 HD2 HIS A 53 -2.537 12.193 6.879 1.00 62.34 H new ATOM 0 HE1 HIS A 53 -6.508 13.114 8.092 1.00 53.11 H new ATOM 0 HE2 HIS A 53 -4.156 12.528 8.942 1.00 2.20 H new ATOM 766 N LEU A 54 -4.569 12.355 1.011 1.00 35.32 N ATOM 767 CA LEU A 54 -4.052 12.263 -0.351 1.00 34.21 C ATOM 768 C LEU A 54 -2.568 12.640 -0.362 1.00 13.05 C ATOM 769 O LEU A 54 -1.768 11.970 -1.009 1.00 73.52 O ATOM 770 CB LEU A 54 -4.893 13.155 -1.278 1.00 42.04 C ATOM 771 CG LEU A 54 -6.332 12.618 -1.472 1.00 52.12 C ATOM 772 CD1 LEU A 54 -7.364 13.735 -1.325 1.00 14.15 C ATOM 773 CD2 LEU A 54 -6.521 11.955 -2.838 1.00 24.30 C ATOM 0 H LEU A 54 -5.300 13.056 1.132 1.00 35.32 H new ATOM 0 HA LEU A 54 -4.130 11.241 -0.722 1.00 34.21 H new ATOM 0 HB2 LEU A 54 -4.937 14.163 -0.865 1.00 42.04 H new ATOM 0 HB3 LEU A 54 -4.402 13.229 -2.249 1.00 42.04 H new ATOM 0 HG LEU A 54 -6.483 11.870 -0.693 1.00 52.12 H new ATOM 0 HD11 LEU A 54 -8.365 13.327 -1.467 1.00 14.15 H new ATOM 0 HD12 LEU A 54 -7.288 14.172 -0.329 1.00 14.15 H new ATOM 0 HD13 LEU A 54 -7.177 14.504 -2.074 1.00 14.15 H new ATOM 0 HD21 LEU A 54 -7.545 11.594 -2.928 1.00 24.30 H new ATOM 0 HD22 LEU A 54 -6.321 12.681 -3.626 1.00 24.30 H new ATOM 0 HD23 LEU A 54 -5.831 11.117 -2.934 1.00 24.30 H new ATOM 784 N GLN A 55 -2.177 13.665 0.402 1.00 31.50 N ATOM 785 CA GLN A 55 -0.778 14.061 0.539 1.00 13.34 C ATOM 786 C GLN A 55 0.114 12.934 1.075 1.00 0.21 C ATOM 787 O GLN A 55 1.295 12.902 0.742 1.00 14.14 O ATOM 788 CB GLN A 55 -0.658 15.283 1.465 1.00 52.25 C ATOM 789 CG GLN A 55 -1.324 15.083 2.839 1.00 13.01 C ATOM 790 CD GLN A 55 -0.530 15.730 3.962 1.00 11.53 C ATOM 791 OE1 GLN A 55 -0.584 16.937 4.160 1.00 61.24 O ATOM 792 NE2 GLN A 55 0.214 14.963 4.737 1.00 21.22 N ATOM 0 H GLN A 55 -2.823 14.241 0.941 1.00 31.50 H new ATOM 0 HA GLN A 55 -0.429 14.308 -0.464 1.00 13.34 H new ATOM 0 HB2 GLN A 55 0.397 15.515 1.612 1.00 52.25 H new ATOM 0 HB3 GLN A 55 -1.108 16.146 0.974 1.00 52.25 H new ATOM 0 HG2 GLN A 55 -2.329 15.504 2.818 1.00 13.01 H new ATOM 0 HG3 GLN A 55 -1.429 14.016 3.038 1.00 13.01 H new ATOM 0 HE21 GLN A 55 0.257 13.958 4.570 1.00 21.22 H new ATOM 0 HE22 GLN A 55 0.746 15.376 5.503 1.00 21.22 H new ATOM 799 N ASP A 56 -0.411 12.037 1.916 1.00 44.22 N ATOM 800 CA ASP A 56 0.381 11.038 2.635 1.00 20.22 C ATOM 801 C ASP A 56 0.877 9.953 1.687 1.00 21.42 C ATOM 802 O ASP A 56 1.964 9.420 1.900 1.00 32.23 O ATOM 803 CB ASP A 56 -0.428 10.379 3.764 1.00 71.32 C ATOM 804 CG ASP A 56 -0.382 11.090 5.112 1.00 23.33 C ATOM 805 OD1 ASP A 56 0.132 12.229 5.205 1.00 4.32 O ATOM 806 OD2 ASP A 56 -0.911 10.504 6.085 1.00 12.30 O ATOM 0 H ASP A 56 -1.409 11.985 2.118 1.00 44.22 H new ATOM 0 HA ASP A 56 1.232 11.563 3.070 1.00 20.22 H new ATOM 0 HB2 ASP A 56 -1.468 10.308 3.447 1.00 71.32 H new ATOM 0 HB3 ASP A 56 -0.065 9.360 3.899 1.00 71.32 H new ATOM 810 N ALA A 57 0.127 9.665 0.617 1.00 72.42 N ATOM 811 CA ALA A 57 0.565 8.721 -0.397 1.00 1.43 C ATOM 812 C ALA A 57 1.806 9.305 -1.051 1.00 4.15 C ATOM 813 O ALA A 57 2.866 8.682 -1.057 1.00 52.05 O ATOM 814 CB ALA A 57 -0.542 8.466 -1.413 1.00 21.33 C ATOM 0 H ALA A 57 -0.788 10.078 0.438 1.00 72.42 H new ATOM 0 HA ALA A 57 0.800 7.754 0.048 1.00 1.43 H new ATOM 0 HB1 ALA A 57 -0.192 7.756 -2.162 1.00 21.33 H new ATOM 0 HB2 ALA A 57 -1.415 8.056 -0.905 1.00 21.33 H new ATOM 0 HB3 ALA A 57 -0.813 9.403 -1.899 1.00 21.33 H new ATOM 820 N THR A 58 1.690 10.543 -1.534 1.00 5.01 N ATOM 821 CA THR A 58 2.780 11.272 -2.144 1.00 51.31 C ATOM 822 C THR A 58 3.963 11.385 -1.181 1.00 5.44 C ATOM 823 O THR A 58 5.115 11.346 -1.618 1.00 74.43 O ATOM 824 CB THR A 58 2.278 12.668 -2.543 1.00 20.51 C ATOM 825 OG1 THR A 58 0.921 12.661 -2.963 1.00 52.04 O ATOM 826 CG2 THR A 58 3.113 13.238 -3.685 1.00 23.22 C ATOM 0 H THR A 58 0.816 11.068 -1.507 1.00 5.01 H new ATOM 0 HA THR A 58 3.123 10.737 -3.029 1.00 51.31 H new ATOM 0 HB THR A 58 2.370 13.284 -1.648 1.00 20.51 H new ATOM 0 HG1 THR A 58 0.649 13.571 -3.204 1.00 52.04 H new ATOM 0 HG21 THR A 58 2.739 14.227 -3.951 1.00 23.22 H new ATOM 0 HG22 THR A 58 4.154 13.316 -3.371 1.00 23.22 H new ATOM 0 HG23 THR A 58 3.043 12.579 -4.551 1.00 23.22 H new ATOM 834 N ARG A 59 3.701 11.548 0.123 1.00 4.53 N ATOM 835 CA ARG A 59 4.738 11.665 1.139 1.00 31.51 C ATOM 836 C ARG A 59 5.619 10.429 1.054 1.00 2.02 C ATOM 837 O ARG A 59 6.825 10.525 0.835 1.00 32.43 O ATOM 838 CB ARG A 59 4.075 11.800 2.523 1.00 20.51 C ATOM 839 CG ARG A 59 4.920 12.535 3.566 1.00 4.34 C ATOM 840 CD ARG A 59 4.510 14.009 3.666 1.00 62.23 C ATOM 841 NE ARG A 59 4.820 14.588 4.979 1.00 41.15 N ATOM 842 CZ ARG A 59 4.379 15.781 5.391 1.00 61.14 C ATOM 843 NH1 ARG A 59 3.710 16.577 4.561 1.00 13.53 N ATOM 844 NH2 ARG A 59 4.625 16.169 6.634 1.00 32.35 N ATOM 0 H ARG A 59 2.754 11.602 0.498 1.00 4.53 H new ATOM 0 HA ARG A 59 5.356 12.549 0.980 1.00 31.51 H new ATOM 0 HB2 ARG A 59 3.127 12.325 2.407 1.00 20.51 H new ATOM 0 HB3 ARG A 59 3.844 10.803 2.899 1.00 20.51 H new ATOM 0 HG2 ARG A 59 4.803 12.055 4.538 1.00 4.34 H new ATOM 0 HG3 ARG A 59 5.975 12.464 3.300 1.00 4.34 H new ATOM 0 HD2 ARG A 59 5.022 14.579 2.891 1.00 62.23 H new ATOM 0 HD3 ARG A 59 3.441 14.100 3.475 1.00 62.23 H new ATOM 0 HE ARG A 59 5.407 14.048 5.615 1.00 41.15 H new ATOM 0 HH11 ARG A 59 3.530 16.279 3.602 1.00 13.53 H new ATOM 0 HH12 ARG A 59 3.377 17.486 4.883 1.00 13.53 H new ATOM 0 HH21 ARG A 59 5.146 15.560 7.265 1.00 32.35 H new ATOM 0 HH22 ARG A 59 4.294 17.077 6.960 1.00 32.35 H new ATOM 855 N TRP A 60 5.003 9.262 1.216 1.00 25.14 N ATOM 856 CA TRP A 60 5.711 8.001 1.300 1.00 15.24 C ATOM 857 C TRP A 60 6.388 7.686 -0.036 1.00 24.40 C ATOM 858 O TRP A 60 7.504 7.167 -0.052 1.00 51.31 O ATOM 859 CB TRP A 60 4.696 6.940 1.723 1.00 32.41 C ATOM 860 CG TRP A 60 5.257 5.673 2.284 1.00 31.34 C ATOM 861 CD1 TRP A 60 6.142 5.576 3.303 1.00 25.33 C ATOM 862 CD2 TRP A 60 4.892 4.308 1.941 1.00 32.13 C ATOM 863 NE1 TRP A 60 6.349 4.245 3.615 1.00 61.12 N ATOM 864 CE2 TRP A 60 5.564 3.421 2.832 1.00 11.02 C ATOM 865 CE3 TRP A 60 4.000 3.744 1.005 1.00 3.40 C ATOM 866 CZ2 TRP A 60 5.329 2.038 2.811 1.00 0.53 C ATOM 867 CZ3 TRP A 60 3.746 2.364 0.988 1.00 21.51 C ATOM 868 CH2 TRP A 60 4.409 1.513 1.890 1.00 54.13 C ATOM 0 H TRP A 60 3.990 9.170 1.293 1.00 25.14 H new ATOM 0 HA TRP A 60 6.513 8.034 2.038 1.00 15.24 H new ATOM 0 HB2 TRP A 60 4.032 7.379 2.468 1.00 32.41 H new ATOM 0 HB3 TRP A 60 4.083 6.689 0.858 1.00 32.41 H new ATOM 0 HD1 TRP A 60 6.615 6.412 3.798 1.00 25.33 H new ATOM 0 HE1 TRP A 60 6.997 3.915 4.330 1.00 61.12 H new ATOM 0 HE3 TRP A 60 3.505 4.384 0.290 1.00 3.40 H new ATOM 0 HZ2 TRP A 60 5.850 1.385 3.496 1.00 0.53 H new ATOM 0 HZ3 TRP A 60 3.040 1.955 0.281 1.00 21.51 H new ATOM 0 HH2 TRP A 60 4.210 0.452 1.874 1.00 54.13 H new ATOM 878 N MET A 61 5.741 8.035 -1.154 1.00 40.35 N ATOM 879 CA MET A 61 6.279 7.900 -2.498 1.00 20.40 C ATOM 880 C MET A 61 7.581 8.689 -2.635 1.00 3.53 C ATOM 881 O MET A 61 8.641 8.106 -2.883 1.00 51.03 O ATOM 882 CB MET A 61 5.237 8.352 -3.537 1.00 25.23 C ATOM 883 CG MET A 61 3.943 7.521 -3.565 1.00 13.03 C ATOM 884 SD MET A 61 3.659 6.454 -5.003 1.00 14.31 S ATOM 885 CE MET A 61 3.959 7.631 -6.342 1.00 14.43 C ATOM 0 H MET A 61 4.801 8.430 -1.140 1.00 40.35 H new ATOM 0 HA MET A 61 6.506 6.850 -2.684 1.00 20.40 H new ATOM 0 HB2 MET A 61 4.978 9.393 -3.341 1.00 25.23 H new ATOM 0 HB3 MET A 61 5.694 8.318 -4.526 1.00 25.23 H new ATOM 0 HG2 MET A 61 3.928 6.894 -2.674 1.00 13.03 H new ATOM 0 HG3 MET A 61 3.101 8.209 -3.486 1.00 13.03 H new ATOM 0 HE1 MET A 61 3.169 7.543 -7.088 1.00 14.43 H new ATOM 0 HE2 MET A 61 3.968 8.644 -5.941 1.00 14.43 H new ATOM 0 HE3 MET A 61 4.922 7.416 -6.806 1.00 14.43 H new ATOM 893 N GLU A 62 7.511 10.017 -2.531 1.00 64.14 N ATOM 894 CA GLU A 62 8.630 10.898 -2.856 1.00 14.31 C ATOM 895 C GLU A 62 9.769 10.728 -1.862 1.00 40.33 C ATOM 896 O GLU A 62 10.935 10.830 -2.241 1.00 14.33 O ATOM 897 CB GLU A 62 8.180 12.363 -2.880 1.00 5.31 C ATOM 898 CG GLU A 62 7.257 12.641 -4.063 1.00 52.13 C ATOM 899 CD GLU A 62 7.485 14.028 -4.664 1.00 12.33 C ATOM 900 OE1 GLU A 62 8.411 14.175 -5.495 1.00 14.10 O ATOM 901 OE2 GLU A 62 6.742 14.963 -4.289 1.00 33.34 O ATOM 0 H GLU A 62 6.675 10.511 -2.219 1.00 64.14 H new ATOM 0 HA GLU A 62 8.988 10.620 -3.847 1.00 14.31 H new ATOM 0 HB2 GLU A 62 7.665 12.602 -1.950 1.00 5.31 H new ATOM 0 HB3 GLU A 62 9.053 13.013 -2.937 1.00 5.31 H new ATOM 0 HG2 GLU A 62 7.416 11.884 -4.831 1.00 52.13 H new ATOM 0 HG3 GLU A 62 6.220 12.554 -3.740 1.00 52.13 H new ATOM 906 N ALA A 63 9.453 10.404 -0.608 1.00 22.21 N ATOM 907 CA ALA A 63 10.455 10.182 0.433 1.00 54.44 C ATOM 908 C ALA A 63 11.246 8.891 0.215 1.00 13.03 C ATOM 909 O ALA A 63 12.183 8.604 0.968 1.00 1.10 O ATOM 910 CB ALA A 63 9.784 10.155 1.800 1.00 32.33 C ATOM 0 H ALA A 63 8.492 10.288 -0.285 1.00 22.21 H new ATOM 0 HA ALA A 63 11.164 11.008 0.383 1.00 54.44 H new ATOM 0 HB1 ALA A 63 10.536 9.989 2.571 1.00 32.33 H new ATOM 0 HB2 ALA A 63 9.284 11.107 1.979 1.00 32.33 H new ATOM 0 HB3 ALA A 63 9.050 9.349 1.829 1.00 32.33 H new ATOM 916 N ASN A 64 10.889 8.108 -0.802 1.00 22.33 N ATOM 917 CA ASN A 64 11.578 6.895 -1.209 1.00 60.44 C ATOM 918 C ASN A 64 11.938 6.946 -2.692 1.00 64.23 C ATOM 919 O ASN A 64 12.441 5.958 -3.230 1.00 43.04 O ATOM 920 CB ASN A 64 10.740 5.679 -0.805 1.00 75.42 C ATOM 921 CG ASN A 64 10.725 5.553 0.712 1.00 13.14 C ATOM 922 OD1 ASN A 64 11.681 5.067 1.314 1.00 62.21 O ATOM 923 ND2 ASN A 64 9.685 6.027 1.371 1.00 4.21 N ATOM 0 H ASN A 64 10.078 8.314 -1.385 1.00 22.33 H new ATOM 0 HA ASN A 64 12.532 6.805 -0.690 1.00 60.44 H new ATOM 0 HB2 ASN A 64 9.723 5.784 -1.182 1.00 75.42 H new ATOM 0 HB3 ASN A 64 11.153 4.775 -1.251 1.00 75.42 H new ATOM 0 HD21 ASN A 64 9.668 5.993 2.390 1.00 4.21 H new ATOM 0 HD22 ASN A 64 8.898 6.428 0.861 1.00 4.21 H new ATOM 929 N GLN A 65 11.740 8.093 -3.361 1.00 20.44 N ATOM 930 CA GLN A 65 12.109 8.323 -4.754 1.00 0.42 C ATOM 931 C GLN A 65 11.385 7.306 -5.632 1.00 40.14 C ATOM 932 O GLN A 65 11.920 6.830 -6.638 1.00 15.23 O ATOM 933 CB GLN A 65 13.633 8.284 -4.950 1.00 53.44 C ATOM 934 CG GLN A 65 14.464 8.984 -3.860 1.00 31.44 C ATOM 935 CD GLN A 65 15.590 8.091 -3.323 1.00 52.34 C ATOM 936 OE1 GLN A 65 16.169 7.260 -4.022 1.00 3.42 O ATOM 937 NE2 GLN A 65 15.917 8.191 -2.050 1.00 20.33 N ATOM 0 H GLN A 65 11.305 8.907 -2.928 1.00 20.44 H new ATOM 0 HA GLN A 65 11.797 9.324 -5.051 1.00 0.42 H new ATOM 0 HB2 GLN A 65 13.947 7.242 -5.007 1.00 53.44 H new ATOM 0 HB3 GLN A 65 13.869 8.741 -5.911 1.00 53.44 H new ATOM 0 HG2 GLN A 65 14.892 9.901 -4.265 1.00 31.44 H new ATOM 0 HG3 GLN A 65 13.810 9.274 -3.038 1.00 31.44 H new ATOM 0 HE21 GLN A 65 15.448 8.874 -1.455 1.00 20.33 H new ATOM 0 HE22 GLN A 65 16.639 7.585 -1.660 1.00 20.33 H new ATOM 944 N HIS A 66 10.177 6.932 -5.199 1.00 43.34 N ATOM 945 CA HIS A 66 9.291 6.028 -5.901 1.00 25.23 C ATOM 946 C HIS A 66 9.812 4.574 -5.959 1.00 22.43 C ATOM 947 O HIS A 66 9.333 3.803 -6.798 1.00 63.52 O ATOM 948 CB HIS A 66 8.916 6.636 -7.268 1.00 64.21 C ATOM 949 CG HIS A 66 8.491 8.093 -7.244 1.00 64.45 C ATOM 950 ND1 HIS A 66 8.600 9.009 -8.274 1.00 51.33 N ATOM 951 CD2 HIS A 66 7.924 8.747 -6.186 1.00 42.15 C ATOM 952 CE1 HIS A 66 8.063 10.168 -7.852 1.00 35.35 C ATOM 953 NE2 HIS A 66 7.595 10.036 -6.601 1.00 53.34 N ATOM 0 H HIS A 66 9.785 7.268 -4.319 1.00 43.34 H new ATOM 0 HA HIS A 66 8.369 5.926 -5.328 1.00 25.23 H new ATOM 0 HB2 HIS A 66 9.771 6.537 -7.936 1.00 64.21 H new ATOM 0 HB3 HIS A 66 8.106 6.047 -7.697 1.00 64.21 H new ATOM 0 HD1 HIS A 66 9.014 8.837 -9.190 1.00 51.33 H new ATOM 0 HD2 HIS A 66 7.760 8.336 -5.201 1.00 42.15 H new ATOM 0 HE1 HIS A 66 8.015 11.075 -8.436 1.00 35.35 H new ATOM 960 N SER A 67 10.749 4.163 -5.085 1.00 32.31 N ATOM 961 CA SER A 67 11.076 2.746 -4.904 1.00 4.00 C ATOM 962 C SER A 67 11.370 2.415 -3.437 1.00 0.00 C ATOM 963 O SER A 67 12.197 3.069 -2.797 1.00 71.23 O ATOM 964 CB SER A 67 12.224 2.288 -5.823 1.00 14.22 C ATOM 965 OG SER A 67 13.143 3.312 -6.187 1.00 54.01 O ATOM 0 H SER A 67 11.290 4.796 -4.496 1.00 32.31 H new ATOM 0 HA SER A 67 10.190 2.183 -5.198 1.00 4.00 H new ATOM 0 HB2 SER A 67 12.772 1.488 -5.325 1.00 14.22 H new ATOM 0 HB3 SER A 67 11.796 1.864 -6.731 1.00 14.22 H new ATOM 0 HG SER A 67 13.838 2.937 -6.767 1.00 54.01 H new ATOM 970 N LEU A 68 10.708 1.382 -2.911 1.00 11.25 N ATOM 971 CA LEU A 68 10.967 0.845 -1.571 1.00 32.40 C ATOM 972 C LEU A 68 11.827 -0.415 -1.666 1.00 54.01 C ATOM 973 O LEU A 68 12.122 -0.905 -2.762 1.00 21.41 O ATOM 974 CB LEU A 68 9.667 0.514 -0.825 1.00 1.22 C ATOM 975 CG LEU A 68 8.747 1.702 -0.512 1.00 54.12 C ATOM 976 CD1 LEU A 68 7.432 1.201 0.082 1.00 51.44 C ATOM 977 CD2 LEU A 68 9.380 2.649 0.504 1.00 22.25 C ATOM 0 H LEU A 68 9.968 0.888 -3.409 1.00 11.25 H new ATOM 0 HA LEU A 68 11.495 1.617 -1.010 1.00 32.40 H new ATOM 0 HB2 LEU A 68 9.105 -0.208 -1.418 1.00 1.22 H new ATOM 0 HB3 LEU A 68 9.925 0.023 0.113 1.00 1.22 H new ATOM 0 HG LEU A 68 8.578 2.233 -1.449 1.00 54.12 H new ATOM 0 HD11 LEU A 68 6.785 2.050 0.301 1.00 51.44 H new ATOM 0 HD12 LEU A 68 6.937 0.543 -0.632 1.00 51.44 H new ATOM 0 HD13 LEU A 68 7.634 0.652 1.002 1.00 51.44 H new ATOM 0 HD21 LEU A 68 8.700 3.478 0.701 1.00 22.25 H new ATOM 0 HD22 LEU A 68 9.574 2.110 1.432 1.00 22.25 H new ATOM 0 HD23 LEU A 68 10.318 3.036 0.106 1.00 22.25 H new ATOM 988 N ASN A 69 12.207 -0.963 -0.510 1.00 4.11 N ATOM 989 CA ASN A 69 12.989 -2.182 -0.413 1.00 55.32 C ATOM 990 C ASN A 69 12.538 -3.001 0.790 1.00 43.24 C ATOM 991 O ASN A 69 12.711 -2.557 1.921 1.00 45.34 O ATOM 992 CB ASN A 69 14.467 -1.824 -0.332 1.00 64.14 C ATOM 993 CG ASN A 69 15.288 -3.080 -0.554 1.00 34.43 C ATOM 994 OD1 ASN A 69 15.740 -3.718 0.386 1.00 13.43 O ATOM 995 ND2 ASN A 69 15.462 -3.487 -1.800 1.00 21.12 N ATOM 0 H ASN A 69 11.972 -0.560 0.397 1.00 4.11 H new ATOM 0 HA ASN A 69 12.834 -2.796 -1.300 1.00 55.32 H new ATOM 0 HB2 ASN A 69 14.715 -1.074 -1.083 1.00 64.14 H new ATOM 0 HB3 ASN A 69 14.697 -1.390 0.641 1.00 64.14 H new ATOM 0 HD21 ASN A 69 15.980 -4.345 -1.989 1.00 21.12 H new ATOM 0 HD22 ASN A 69 15.078 -2.943 -2.573 1.00 21.12 H new ATOM 1001 N ILE A 70 11.893 -4.145 0.548 1.00 61.54 N ATOM 1002 CA ILE A 70 11.285 -4.981 1.572 1.00 5.35 C ATOM 1003 C ILE A 70 11.791 -6.400 1.382 1.00 65.15 C ATOM 1004 O ILE A 70 11.677 -6.963 0.287 1.00 12.11 O ATOM 1005 CB ILE A 70 9.749 -4.883 1.511 1.00 43.11 C ATOM 1006 CG1 ILE A 70 9.291 -3.440 1.792 1.00 54.14 C ATOM 1007 CG2 ILE A 70 9.070 -5.823 2.525 1.00 3.10 C ATOM 1008 CD1 ILE A 70 9.065 -2.594 0.536 1.00 33.33 C ATOM 0 H ILE A 70 11.779 -4.521 -0.393 1.00 61.54 H new ATOM 0 HA ILE A 70 11.567 -4.641 2.568 1.00 5.35 H new ATOM 0 HB ILE A 70 9.453 -5.184 0.506 1.00 43.11 H new ATOM 0 HG12 ILE A 70 8.365 -3.471 2.366 1.00 54.14 H new ATOM 0 HG13 ILE A 70 10.038 -2.950 2.417 1.00 54.14 H new ATOM 0 HG21 ILE A 70 7.988 -5.721 2.447 1.00 3.10 H new ATOM 0 HG22 ILE A 70 9.354 -6.854 2.312 1.00 3.10 H new ATOM 0 HG23 ILE A 70 9.388 -5.560 3.534 1.00 3.10 H new ATOM 0 HD11 ILE A 70 8.744 -1.593 0.824 1.00 33.33 H new ATOM 0 HD12 ILE A 70 9.994 -2.528 -0.031 1.00 33.33 H new ATOM 0 HD13 ILE A 70 8.296 -3.058 -0.081 1.00 33.33 H new ATOM 1019 N LEU A 71 12.360 -6.964 2.451 1.00 71.22 N ATOM 1020 CA LEU A 71 13.099 -8.228 2.452 1.00 3.22 C ATOM 1021 C LEU A 71 14.103 -8.251 1.293 1.00 4.24 C ATOM 1022 O LEU A 71 14.270 -9.267 0.622 1.00 21.50 O ATOM 1023 CB LEU A 71 12.157 -9.452 2.445 1.00 3.23 C ATOM 1024 CG LEU A 71 11.071 -9.485 3.538 1.00 73.25 C ATOM 1025 CD1 LEU A 71 10.260 -10.776 3.383 1.00 40.13 C ATOM 1026 CD2 LEU A 71 11.644 -9.412 4.953 1.00 25.41 C ATOM 0 H LEU A 71 12.316 -6.535 3.375 1.00 71.22 H new ATOM 0 HA LEU A 71 13.662 -8.296 3.383 1.00 3.22 H new ATOM 0 HB2 LEU A 71 11.666 -9.500 1.473 1.00 3.23 H new ATOM 0 HB3 LEU A 71 12.765 -10.352 2.540 1.00 3.23 H new ATOM 0 HG LEU A 71 10.444 -8.603 3.406 1.00 73.25 H new ATOM 0 HD11 LEU A 71 9.487 -10.814 4.150 1.00 40.13 H new ATOM 0 HD12 LEU A 71 9.795 -10.797 2.397 1.00 40.13 H new ATOM 0 HD13 LEU A 71 10.921 -11.636 3.491 1.00 40.13 H new ATOM 0 HD21 LEU A 71 10.830 -9.439 5.677 1.00 25.41 H new ATOM 0 HD22 LEU A 71 12.308 -10.260 5.121 1.00 25.41 H new ATOM 0 HD23 LEU A 71 12.204 -8.484 5.071 1.00 25.41 H new ATOM 1037 N GLY A 72 14.714 -7.099 1.011 1.00 3.41 N ATOM 1038 CA GLY A 72 15.703 -6.921 -0.032 1.00 53.35 C ATOM 1039 C GLY A 72 15.130 -6.717 -1.438 1.00 22.43 C ATOM 1040 O GLY A 72 15.872 -6.243 -2.302 1.00 21.54 O ATOM 0 H GLY A 72 14.521 -6.240 1.525 1.00 3.41 H new ATOM 0 HA2 GLY A 72 16.324 -6.061 0.219 1.00 53.35 H new ATOM 0 HA3 GLY A 72 16.357 -7.793 -0.045 1.00 53.35 H new ATOM 1044 N GLN A 73 13.862 -7.041 -1.724 1.00 65.31 N ATOM 1045 CA GLN A 73 13.301 -6.895 -3.064 1.00 34.20 C ATOM 1046 C GLN A 73 13.091 -5.411 -3.335 1.00 60.11 C ATOM 1047 O GLN A 73 12.612 -4.681 -2.471 1.00 5.14 O ATOM 1048 CB GLN A 73 11.968 -7.648 -3.201 1.00 22.22 C ATOM 1049 CG GLN A 73 12.094 -9.068 -3.779 1.00 54.55 C ATOM 1050 CD GLN A 73 12.950 -10.040 -2.966 1.00 11.24 C ATOM 1051 OE1 GLN A 73 13.761 -10.771 -3.531 1.00 14.04 O ATOM 1052 NE2 GLN A 73 12.753 -10.120 -1.662 1.00 4.12 N ATOM 0 H GLN A 73 13.205 -7.408 -1.036 1.00 65.31 H new ATOM 0 HA GLN A 73 13.993 -7.323 -3.789 1.00 34.20 H new ATOM 0 HB2 GLN A 73 11.497 -7.709 -2.220 1.00 22.22 H new ATOM 0 HB3 GLN A 73 11.301 -7.068 -3.839 1.00 22.22 H new ATOM 0 HG2 GLN A 73 11.094 -9.490 -3.880 1.00 54.55 H new ATOM 0 HG3 GLN A 73 12.512 -8.996 -4.783 1.00 54.55 H new ATOM 0 HE21 GLN A 73 12.076 -9.505 -1.210 1.00 4.12 H new ATOM 0 HE22 GLN A 73 13.278 -10.796 -1.107 1.00 4.12 H new ATOM 1059 N LYS A 74 13.428 -4.978 -4.545 1.00 12.11 N ATOM 1060 CA LYS A 74 13.209 -3.637 -5.060 1.00 12.34 C ATOM 1061 C LYS A 74 11.739 -3.537 -5.448 1.00 3.31 C ATOM 1062 O LYS A 74 11.302 -4.221 -6.371 1.00 44.12 O ATOM 1063 CB LYS A 74 14.149 -3.418 -6.254 1.00 71.54 C ATOM 1064 CG LYS A 74 14.031 -2.002 -6.829 1.00 33.31 C ATOM 1065 CD LYS A 74 15.012 -1.792 -7.989 1.00 42.55 C ATOM 1066 CE LYS A 74 16.455 -1.634 -7.491 1.00 31.14 C ATOM 1067 NZ LYS A 74 17.420 -1.663 -8.606 1.00 52.32 N ATOM 0 H LYS A 74 13.884 -5.586 -5.225 1.00 12.11 H new ATOM 0 HA LYS A 74 13.428 -2.862 -4.325 1.00 12.34 H new ATOM 0 HB2 LYS A 74 15.178 -3.598 -5.942 1.00 71.54 H new ATOM 0 HB3 LYS A 74 13.920 -4.145 -7.033 1.00 71.54 H new ATOM 0 HG2 LYS A 74 13.012 -1.831 -7.175 1.00 33.31 H new ATOM 0 HG3 LYS A 74 14.228 -1.271 -6.045 1.00 33.31 H new ATOM 0 HD2 LYS A 74 14.954 -2.639 -8.673 1.00 42.55 H new ATOM 0 HD3 LYS A 74 14.723 -0.906 -8.554 1.00 42.55 H new ATOM 0 HE2 LYS A 74 16.553 -0.693 -6.949 1.00 31.14 H new ATOM 0 HE3 LYS A 74 16.687 -2.433 -6.787 1.00 31.14 H new ATOM 0 HZ1 LYS A 74 18.385 -1.554 -8.233 1.00 52.32 H new ATOM 0 HZ2 LYS A 74 17.344 -2.571 -9.108 1.00 52.32 H new ATOM 0 HZ3 LYS A 74 17.213 -0.885 -9.264 1.00 52.32 H new ATOM 1077 N VAL A 75 10.988 -2.705 -4.738 1.00 44.03 N ATOM 1078 CA VAL A 75 9.554 -2.539 -4.906 1.00 63.55 C ATOM 1079 C VAL A 75 9.332 -1.190 -5.587 1.00 54.22 C ATOM 1080 O VAL A 75 10.012 -0.214 -5.268 1.00 5.22 O ATOM 1081 CB VAL A 75 8.893 -2.647 -3.519 1.00 1.32 C ATOM 1082 CG1 VAL A 75 7.371 -2.480 -3.553 1.00 1.21 C ATOM 1083 CG2 VAL A 75 9.208 -4.005 -2.875 1.00 11.05 C ATOM 0 H VAL A 75 11.375 -2.109 -4.006 1.00 44.03 H new ATOM 0 HA VAL A 75 9.101 -3.307 -5.533 1.00 63.55 H new ATOM 0 HB VAL A 75 9.311 -1.828 -2.934 1.00 1.32 H new ATOM 0 HG11 VAL A 75 6.973 -2.568 -2.542 1.00 1.21 H new ATOM 0 HG12 VAL A 75 7.122 -1.499 -3.958 1.00 1.21 H new ATOM 0 HG13 VAL A 75 6.934 -3.254 -4.184 1.00 1.21 H new ATOM 0 HG21 VAL A 75 8.732 -4.062 -1.896 1.00 11.05 H new ATOM 0 HG22 VAL A 75 8.829 -4.806 -3.510 1.00 11.05 H new ATOM 0 HG23 VAL A 75 10.287 -4.112 -2.761 1.00 11.05 H new ATOM 1093 N SER A 76 8.369 -1.117 -6.502 1.00 25.21 N ATOM 1094 CA SER A 76 7.944 0.112 -7.164 1.00 31.42 C ATOM 1095 C SER A 76 6.597 0.551 -6.590 1.00 21.40 C ATOM 1096 O SER A 76 5.854 -0.282 -6.067 1.00 23.43 O ATOM 1097 CB SER A 76 7.823 -0.162 -8.659 1.00 73.13 C ATOM 1098 OG SER A 76 9.072 -0.542 -9.202 1.00 3.21 O ATOM 0 H SER A 76 7.847 -1.937 -6.812 1.00 25.21 H new ATOM 0 HA SER A 76 8.670 0.909 -7.000 1.00 31.42 H new ATOM 0 HB2 SER A 76 7.091 -0.951 -8.831 1.00 73.13 H new ATOM 0 HB3 SER A 76 7.456 0.729 -9.168 1.00 73.13 H new ATOM 0 HG SER A 76 8.973 -0.715 -10.161 1.00 3.21 H new ATOM 1103 N MET A 77 6.258 1.837 -6.698 1.00 24.25 N ATOM 1104 CA MET A 77 5.028 2.387 -6.137 1.00 71.23 C ATOM 1105 C MET A 77 4.289 3.230 -7.170 1.00 11.44 C ATOM 1106 O MET A 77 4.893 4.040 -7.879 1.00 4.20 O ATOM 1107 CB MET A 77 5.280 3.132 -4.823 1.00 40.31 C ATOM 1108 CG MET A 77 6.398 4.174 -4.842 1.00 31.31 C ATOM 1109 SD MET A 77 7.579 4.114 -3.458 1.00 72.12 S ATOM 1110 CE MET A 77 6.490 4.300 -2.019 1.00 51.31 C ATOM 0 H MET A 77 6.834 2.528 -7.180 1.00 24.25 H new ATOM 0 HA MET A 77 4.372 1.555 -5.881 1.00 71.23 H new ATOM 0 HB2 MET A 77 4.355 3.627 -4.527 1.00 40.31 H new ATOM 0 HB3 MET A 77 5.509 2.397 -4.051 1.00 40.31 H new ATOM 0 HG2 MET A 77 6.955 4.062 -5.772 1.00 31.31 H new ATOM 0 HG3 MET A 77 5.943 5.164 -4.861 1.00 31.31 H new ATOM 0 HE1 MET A 77 6.995 4.891 -1.255 1.00 51.31 H new ATOM 0 HE2 MET A 77 5.572 4.805 -2.320 1.00 51.31 H new ATOM 0 HE3 MET A 77 6.248 3.316 -1.616 1.00 51.31 H new ATOM 1118 N HIS A 78 2.979 2.998 -7.261 1.00 20.41 N ATOM 1119 CA HIS A 78 2.106 3.446 -8.341 1.00 61.21 C ATOM 1120 C HIS A 78 0.732 3.782 -7.764 1.00 24.30 C ATOM 1121 O HIS A 78 0.202 3.002 -6.975 1.00 15.25 O ATOM 1122 CB HIS A 78 1.966 2.325 -9.387 1.00 3.35 C ATOM 1123 CG HIS A 78 3.270 1.727 -9.845 1.00 40.25 C ATOM 1124 ND1 HIS A 78 4.154 2.253 -10.766 1.00 15.44 N ATOM 1125 CD2 HIS A 78 3.809 0.571 -9.356 1.00 12.42 C ATOM 1126 CE1 HIS A 78 5.218 1.433 -10.811 1.00 71.13 C ATOM 1127 NE2 HIS A 78 5.018 0.362 -10.020 1.00 61.51 N ATOM 0 H HIS A 78 2.477 2.468 -6.549 1.00 20.41 H new ATOM 0 HA HIS A 78 2.531 4.330 -8.816 1.00 61.21 H new ATOM 0 HB2 HIS A 78 1.345 1.532 -8.970 1.00 3.35 H new ATOM 0 HB3 HIS A 78 1.438 2.720 -10.255 1.00 3.35 H new ATOM 0 HD1 HIS A 78 4.024 3.105 -11.311 1.00 15.44 H new ATOM 0 HD2 HIS A 78 3.379 -0.064 -8.596 1.00 12.42 H new ATOM 0 HE1 HIS A 78 6.107 1.608 -11.398 1.00 71.13 H new ATOM 1134 N TYR A 79 0.125 4.904 -8.147 1.00 61.31 N ATOM 1135 CA TYR A 79 -1.201 5.282 -7.665 1.00 61.34 C ATOM 1136 C TYR A 79 -2.271 4.452 -8.388 1.00 23.12 C ATOM 1137 O TYR A 79 -2.551 4.750 -9.550 1.00 33.22 O ATOM 1138 CB TYR A 79 -1.433 6.781 -7.915 1.00 1.11 C ATOM 1139 CG TYR A 79 -0.411 7.735 -7.314 1.00 64.22 C ATOM 1140 CD1 TYR A 79 -0.213 7.793 -5.922 1.00 65.31 C ATOM 1141 CD2 TYR A 79 0.312 8.611 -8.147 1.00 41.11 C ATOM 1142 CE1 TYR A 79 0.683 8.720 -5.365 1.00 24.31 C ATOM 1143 CE2 TYR A 79 1.216 9.542 -7.600 1.00 73.45 C ATOM 1144 CZ TYR A 79 1.412 9.594 -6.202 1.00 74.44 C ATOM 1145 OH TYR A 79 2.230 10.523 -5.637 1.00 72.34 O ATOM 0 H TYR A 79 0.537 5.573 -8.797 1.00 61.31 H new ATOM 0 HA TYR A 79 -1.268 5.087 -6.595 1.00 61.34 H new ATOM 0 HB2 TYR A 79 -1.463 6.947 -8.992 1.00 1.11 H new ATOM 0 HB3 TYR A 79 -2.416 7.044 -7.525 1.00 1.11 H new ATOM 0 HD1 TYR A 79 -0.755 7.118 -5.276 1.00 65.31 H new ATOM 0 HD2 TYR A 79 0.172 8.568 -9.217 1.00 41.11 H new ATOM 0 HE1 TYR A 79 0.815 8.765 -4.294 1.00 24.31 H new ATOM 0 HE2 TYR A 79 1.758 10.215 -8.248 1.00 73.45 H new ATOM 0 HH TYR A 79 2.664 11.049 -6.341 1.00 72.34 H new ATOM 1154 N SER A 80 -2.867 3.410 -7.783 1.00 54.04 N ATOM 1155 CA SER A 80 -3.824 2.586 -8.544 1.00 4.24 C ATOM 1156 C SER A 80 -5.185 3.225 -8.754 1.00 31.13 C ATOM 1157 O SER A 80 -5.973 2.753 -9.569 1.00 22.33 O ATOM 1158 CB SER A 80 -4.012 1.199 -7.922 1.00 4.33 C ATOM 1159 OG SER A 80 -4.633 0.306 -8.827 1.00 33.10 O ATOM 0 H SER A 80 -2.714 3.126 -6.815 1.00 54.04 H new ATOM 0 HA SER A 80 -3.360 2.493 -9.526 1.00 4.24 H new ATOM 0 HB2 SER A 80 -3.043 0.799 -7.621 1.00 4.33 H new ATOM 0 HB3 SER A 80 -4.617 1.283 -7.019 1.00 4.33 H new ATOM 0 HG SER A 80 -5.337 0.777 -9.321 1.00 33.10 H new