USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 586 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 22 THR OG1 : rot -50:sc= 1.27 USER MOD Set 1.2: A 25 ASN : amide:sc= 1.08 K(o=2.3,f=-4.4!) USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -165:sc= 1.21 (180deg=1.12) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 6 LYS NZ :NH3+ -169:sc= -0.0087 (180deg=-0.157) USER MOD Single : A 11 LYS NZ :NH3+ -178:sc= 1.25 (180deg=1.21) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -82:sc= 0.0528 USER MOD Single : A 20 SER OG : rot 180:sc= 0.00155 USER MOD Single : A 27 LYS NZ :NH3+ -155:sc= 1.94 (180deg=-0.232!) USER MOD Single : A 29 LYS NZ :NH3+ 142:sc= 1.28 (180deg=0.399) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= 1.22 K(o=1.2,f=-1) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0058 K(o=-0.0058,f=-0.69) USER MOD Single : A 55 THR OG1 : rot -72:sc= 0.874 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= 0.729 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.0126 K(o=-0.013,f=-1.4!) USER MOD Single : A 63 LYS NZ :NH3+ 161:sc= -0.132 (180deg=-0.818) USER MOD Single : A 65 SER OG : rot 86:sc= 1.15 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.0673 K(o=0.067,f=-0.47) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.024 -6.936 -4.777 1.00 9.67 N ATOM 2 CA MET A 1 11.714 -6.738 -3.357 1.00 10.38 C ATOM 3 C MET A 1 10.328 -7.367 -2.986 1.00 9.62 C ATOM 4 O MET A 1 9.464 -7.556 -3.841 1.00 9.62 O ATOM 5 CB MET A 1 11.729 -5.215 -2.991 1.00 13.77 C ATOM 6 CG MET A 1 12.079 -5.066 -1.498 1.00 16.29 C ATOM 7 SD MET A 1 12.478 -3.343 -1.064 1.00 17.17 S ATOM 8 CE MET A 1 10.879 -2.453 -1.055 1.00 16.11 C ATOM 0 H1 MET A 1 13.033 -6.745 -4.942 1.00 9.67 H new ATOM 0 H2 MET A 1 11.809 -7.917 -5.046 1.00 9.67 H new ATOM 0 H3 MET A 1 11.450 -6.286 -5.351 1.00 9.67 H new ATOM 0 HA MET A 1 12.486 -7.245 -2.778 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.459 -4.687 -3.604 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.757 -4.768 -3.197 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.240 -5.408 -0.892 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.927 -5.707 -1.258 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.047 -1.406 -0.800 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.421 -2.517 -2.042 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.216 -2.904 -0.317 1.00 16.11 H new ATOM 20 N GLN A 2 10.136 -7.662 -1.667 1.00 9.27 N ATOM 21 CA GLN A 2 8.866 -8.261 -1.244 1.00 9.07 C ATOM 22 C GLN A 2 8.384 -7.327 -0.184 1.00 8.72 C ATOM 23 O GLN A 2 9.197 -6.863 0.636 1.00 8.22 O ATOM 24 CB GLN A 2 9.111 -9.676 -0.690 1.00 14.46 C ATOM 25 CG GLN A 2 8.010 -10.212 0.153 1.00 17.01 C ATOM 26 CD GLN A 2 8.211 -11.653 0.513 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.620 -12.010 1.643 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.001 -12.557 -0.465 1.00 19.49 N ATOM 0 H GLN A 2 10.815 -7.500 -0.923 1.00 9.27 H new ATOM 0 HA GLN A 2 8.142 -8.379 -2.050 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.274 -10.356 -1.526 1.00 14.46 H new ATOM 0 HB3 GLN A 2 10.029 -9.668 -0.103 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.934 -9.620 1.065 1.00 17.01 H new ATOM 0 HG3 GLN A 2 7.064 -10.102 -0.378 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.668 -12.251 -1.379 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.175 -13.547 -0.291 1.00 19.49 H new ATOM 37 N ILE A 3 7.047 -7.052 -0.060 1.00 5.87 N ATOM 38 CA ILE A 3 6.448 -6.330 1.085 1.00 5.07 C ATOM 39 C ILE A 3 5.136 -7.089 1.352 1.00 4.01 C ATOM 40 O ILE A 3 4.690 -7.907 0.562 1.00 4.61 O ATOM 41 CB ILE A 3 6.227 -4.852 0.923 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.488 -4.615 -0.441 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.606 -4.123 0.947 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.103 -3.125 -0.677 1.00 10.83 C ATOM 0 H ILE A 3 6.361 -7.331 -0.761 1.00 5.87 H new ATOM 0 HA ILE A 3 7.149 -6.333 1.919 1.00 5.07 H new ATOM 0 HB ILE A 3 5.618 -4.455 1.735 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.127 -4.952 -1.257 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.586 -5.226 -0.469 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.453 -3.050 0.830 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.104 -4.317 1.897 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.227 -4.492 0.131 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.595 -3.028 -1.637 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.439 -2.790 0.120 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.005 -2.512 -0.680 1.00 10.83 H new ATOM 56 N PHE A 4 4.483 -6.786 2.464 1.00 4.55 N ATOM 57 CA PHE A 4 3.320 -7.454 2.902 1.00 4.68 C ATOM 58 C PHE A 4 2.193 -6.391 3.072 1.00 5.30 C ATOM 59 O PHE A 4 2.309 -5.311 3.585 1.00 5.58 O ATOM 60 CB PHE A 4 3.495 -8.193 4.206 1.00 4.83 C ATOM 61 CG PHE A 4 4.706 -9.019 4.074 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.864 -10.050 3.104 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.732 -8.885 5.036 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.953 -10.925 3.165 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.825 -9.757 5.116 1.00 10.61 C ATOM 66 CZ PHE A 4 6.919 -10.785 4.185 1.00 8.90 C ATOM 0 H PHE A 4 4.779 -6.038 3.091 1.00 4.55 H new ATOM 0 HA PHE A 4 3.075 -8.207 2.153 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.594 -7.493 5.036 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.625 -8.815 4.416 1.00 4.83 H new ATOM 0 HD1 PHE A 4 4.136 -10.157 2.314 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.671 -8.071 5.743 1.00 8.34 H new ATOM 0 HE1 PHE A 4 6.055 -11.710 2.430 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.576 -9.634 5.882 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.740 -11.484 4.243 1.00 8.90 H new ATOM 76 N VAL A 5 1.025 -6.731 2.619 1.00 4.44 N ATOM 77 CA VAL A 5 -0.145 -5.914 2.780 1.00 3.87 C ATOM 78 C VAL A 5 -0.968 -6.512 3.912 1.00 4.93 C ATOM 79 O VAL A 5 -1.382 -7.649 3.877 1.00 6.84 O ATOM 80 CB VAL A 5 -1.160 -5.893 1.602 1.00 2.99 C ATOM 81 CG1 VAL A 5 -2.286 -4.854 1.849 1.00 5.28 C ATOM 82 CG2 VAL A 5 -0.407 -5.652 0.311 1.00 9.13 C ATOM 0 H VAL A 5 0.852 -7.602 2.116 1.00 4.44 H new ATOM 0 HA VAL A 5 0.256 -4.909 2.913 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.662 -6.857 1.526 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.980 -4.863 1.008 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.821 -5.108 2.764 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.849 -3.860 1.948 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -1.109 -5.635 -0.522 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.113 -4.696 0.366 1.00 9.13 H new ATOM 0 HG23 VAL A 5 0.318 -6.451 0.158 1.00 9.13 H new ATOM 92 N LYS A 6 -1.257 -5.730 5.037 1.00 6.04 N ATOM 93 CA LYS A 6 -2.058 -6.262 6.117 1.00 6.12 C ATOM 94 C LYS A 6 -3.427 -5.651 6.107 1.00 6.57 C ATOM 95 O LYS A 6 -3.558 -4.441 6.276 1.00 5.76 O ATOM 96 CB LYS A 6 -1.528 -6.032 7.531 1.00 7.45 C ATOM 97 CG LYS A 6 -2.217 -6.874 8.581 1.00 11.12 C ATOM 98 CD LYS A 6 -2.311 -8.409 8.288 1.00 14.54 C ATOM 99 CE LYS A 6 -2.838 -9.264 9.388 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.980 -9.208 10.552 1.00 20.55 N ATOM 0 H LYS A 6 -0.938 -4.771 5.171 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.044 -7.334 5.918 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.460 -6.247 7.549 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.646 -4.979 7.787 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.693 -6.738 9.527 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -3.228 -6.490 8.719 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -2.944 -8.551 7.412 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.316 -8.768 8.024 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -3.842 -8.937 9.657 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -2.921 -10.295 9.043 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -2.263 -9.947 11.227 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.993 -9.362 10.263 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -2.067 -8.275 11.003 1.00 20.55 H new ATOM 114 N THR A 7 -4.494 -6.477 5.879 1.00 7.41 N ATOM 115 CA THR A 7 -5.845 -6.018 5.588 1.00 7.48 C ATOM 116 C THR A 7 -6.734 -5.888 6.859 1.00 8.75 C ATOM 117 O THR A 7 -6.397 -6.450 7.900 1.00 8.58 O ATOM 118 CB THR A 7 -6.545 -6.794 4.490 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.146 -8.015 4.936 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.525 -7.190 3.386 1.00 9.17 C ATOM 0 H THR A 7 -4.413 -7.494 5.898 1.00 7.41 H new ATOM 0 HA THR A 7 -5.703 -5.012 5.193 1.00 7.48 H new ATOM 0 HB THR A 7 -7.327 -6.127 4.126 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.580 -8.462 4.179 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.036 -7.747 2.601 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.081 -6.290 2.961 1.00 9.17 H new ATOM 0 HG23 THR A 7 -4.742 -7.811 3.820 1.00 9.17 H new ATOM 128 N LEU A 8 -7.936 -5.284 6.796 1.00 9.84 N ATOM 129 CA LEU A 8 -8.912 -5.155 7.816 1.00 14.15 C ATOM 130 C LEU A 8 -9.490 -6.507 8.140 1.00 17.37 C ATOM 131 O LEU A 8 -9.792 -6.775 9.266 1.00 17.01 O ATOM 132 CB LEU A 8 -10.121 -4.179 7.462 1.00 16.63 C ATOM 133 CG LEU A 8 -9.739 -2.666 7.431 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.962 -1.822 6.932 1.00 19.31 C ATOM 135 CD2 LEU A 8 -9.455 -2.194 8.859 1.00 18.59 C ATOM 0 H LEU A 8 -8.247 -4.841 5.931 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.383 -4.716 8.662 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.526 -4.459 6.489 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.917 -4.326 8.193 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.875 -2.540 6.778 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.692 -0.766 6.912 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -11.242 -2.144 5.929 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.805 -1.968 7.608 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -9.187 -1.137 8.847 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -10.345 -2.336 9.473 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -8.631 -2.772 9.276 1.00 18.59 H new ATOM 147 N THR A 9 -9.551 -7.436 7.183 1.00 18.33 N ATOM 148 CA THR A 9 -10.195 -8.706 7.366 1.00 19.24 C ATOM 149 C THR A 9 -9.218 -9.766 7.852 1.00 19.48 C ATOM 150 O THR A 9 -9.564 -10.915 8.135 1.00 23.14 O ATOM 151 CB THR A 9 -10.968 -9.286 6.138 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.094 -9.223 5.013 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.182 -8.327 5.909 1.00 19.70 C ATOM 0 H THR A 9 -9.146 -7.311 6.255 1.00 18.33 H new ATOM 0 HA THR A 9 -10.950 -8.474 8.118 1.00 19.24 H new ATOM 0 HB THR A 9 -11.299 -10.314 6.287 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.550 -9.582 4.224 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.768 -8.678 5.059 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.809 -8.314 6.801 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.817 -7.320 5.707 1.00 19.70 H new ATOM 161 N GLY A 10 -7.989 -9.374 8.139 1.00 19.43 N ATOM 162 CA GLY A 10 -6.910 -10.182 8.781 1.00 18.74 C ATOM 163 C GLY A 10 -6.079 -10.869 7.796 1.00 17.62 C ATOM 164 O GLY A 10 -5.195 -11.642 8.173 1.00 19.74 O ATOM 0 H GLY A 10 -7.676 -8.427 7.926 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.284 -9.531 9.392 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.357 -10.915 9.452 1.00 18.74 H new ATOM 168 N LYS A 11 -6.303 -10.695 6.507 1.00 13.56 N ATOM 169 CA LYS A 11 -5.530 -11.291 5.389 1.00 11.91 C ATOM 170 C LYS A 11 -4.205 -10.646 5.283 1.00 10.18 C ATOM 171 O LYS A 11 -4.029 -9.454 5.539 1.00 9.10 O ATOM 172 CB LYS A 11 -6.371 -11.181 4.033 1.00 13.43 C ATOM 173 CG LYS A 11 -6.052 -12.170 2.866 1.00 16.69 C ATOM 174 CD LYS A 11 -6.973 -12.004 1.636 1.00 17.92 C ATOM 175 CE LYS A 11 -6.617 -13.011 0.585 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.515 -12.944 -0.588 1.00 21.93 N ATOM 0 H LYS A 11 -7.066 -10.106 6.174 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.355 -12.349 5.583 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.424 -11.300 4.288 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.248 -10.168 3.650 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.017 -12.028 2.555 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.136 -13.192 3.236 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.014 -12.129 1.932 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -6.875 -10.996 1.233 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.589 -12.847 0.262 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.660 -14.012 1.015 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.249 -13.682 -1.271 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.498 -13.093 -0.282 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.430 -12.010 -1.037 1.00 21.93 H new ATOM 190 N THR A 12 -3.140 -11.382 4.887 1.00 9.63 N ATOM 191 CA THR A 12 -1.771 -10.886 4.660 1.00 9.85 C ATOM 192 C THR A 12 -1.515 -11.151 3.163 1.00 11.66 C ATOM 193 O THR A 12 -1.285 -12.271 2.767 1.00 12.33 O ATOM 194 CB THR A 12 -0.693 -11.545 5.584 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.145 -11.655 6.932 1.00 10.91 O ATOM 196 CG2 THR A 12 0.666 -10.849 5.455 1.00 9.63 C ATOM 0 H THR A 12 -3.220 -12.383 4.710 1.00 9.63 H new ATOM 0 HA THR A 12 -1.687 -9.830 4.917 1.00 9.85 H new ATOM 0 HB THR A 12 -0.541 -12.567 5.237 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.446 -12.072 7.478 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.388 -11.335 6.112 1.00 9.63 H new ATOM 0 HG22 THR A 12 1.012 -10.915 4.424 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.566 -9.801 5.738 1.00 9.63 H new ATOM 204 N ILE A 13 -1.523 -10.108 2.361 1.00 10.42 N ATOM 205 CA ILE A 13 -1.306 -10.278 0.916 1.00 11.84 C ATOM 206 C ILE A 13 0.233 -10.092 0.709 1.00 10.55 C ATOM 207 O ILE A 13 0.751 -9.078 1.169 1.00 11.92 O ATOM 208 CB ILE A 13 -1.978 -9.271 0.028 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.454 -9.010 0.456 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.027 -9.817 -1.406 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.048 -7.721 -0.166 1.00 16.46 C ATOM 0 H ILE A 13 -1.673 -9.146 2.664 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.722 -11.247 0.639 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.406 -8.346 0.101 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.067 -9.863 0.164 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.504 -8.938 1.543 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.514 -9.090 -2.056 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.013 -9.999 -1.761 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.589 -10.751 -1.421 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.077 -7.596 0.170 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.457 -6.860 0.146 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.029 -7.799 -1.253 1.00 16.46 H new ATOM 223 N THR A 14 0.942 -11.016 0.008 1.00 9.39 N ATOM 224 CA THR A 14 2.340 -10.861 -0.274 1.00 9.63 C ATOM 225 C THR A 14 2.568 -10.466 -1.706 1.00 11.20 C ATOM 226 O THR A 14 2.009 -11.085 -2.650 1.00 11.63 O ATOM 227 CB THR A 14 3.184 -12.065 -0.035 1.00 10.38 C ATOM 228 OG1 THR A 14 3.054 -12.467 1.309 1.00 16.30 O ATOM 229 CG2 THR A 14 4.592 -11.866 -0.424 1.00 11.66 C ATOM 0 H THR A 14 0.536 -11.875 -0.363 1.00 9.39 H new ATOM 0 HA THR A 14 2.643 -10.087 0.431 1.00 9.63 H new ATOM 0 HB THR A 14 2.823 -12.866 -0.680 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.650 -11.929 1.871 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.156 -12.777 -0.226 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.646 -11.629 -1.487 1.00 11.66 H new ATOM 0 HG23 THR A 14 5.016 -11.044 0.153 1.00 11.66 H new ATOM 237 N LEU A 15 3.293 -9.355 -1.949 1.00 8.29 N ATOM 238 CA LEU A 15 3.422 -8.851 -3.282 1.00 9.03 C ATOM 239 C LEU A 15 4.872 -8.597 -3.538 1.00 8.59 C ATOM 240 O LEU A 15 5.707 -8.315 -2.675 1.00 7.79 O ATOM 241 CB LEU A 15 2.656 -7.520 -3.445 1.00 11.08 C ATOM 242 CG LEU A 15 1.178 -7.489 -3.076 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.561 -6.028 -3.266 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.456 -8.383 -4.067 1.00 15.27 C ATOM 0 H LEU A 15 3.782 -8.815 -1.235 1.00 8.29 H new ATOM 0 HA LEU A 15 3.011 -9.578 -3.982 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.165 -6.767 -2.843 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.746 -7.210 -4.486 1.00 11.08 H new ATOM 0 HG LEU A 15 1.067 -7.801 -2.038 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.495 -6.041 -2.994 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.092 -5.323 -2.627 1.00 15.88 H new ATOM 0 HD13 LEU A 15 0.664 -5.722 -4.307 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.610 -8.391 -3.840 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.609 -8.004 -5.077 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.850 -9.397 -3.996 1.00 15.27 H new ATOM 256 N GLU A 16 5.220 -8.686 -4.814 1.00 11.04 N ATOM 257 CA GLU A 16 6.496 -8.458 -5.437 1.00 11.50 C ATOM 258 C GLU A 16 6.612 -6.982 -6.016 1.00 10.13 C ATOM 259 O GLU A 16 5.815 -6.550 -6.824 1.00 9.83 O ATOM 260 CB GLU A 16 6.749 -9.651 -6.512 1.00 17.22 C ATOM 261 CG GLU A 16 8.208 -9.706 -7.061 1.00 23.33 C ATOM 262 CD GLU A 16 8.307 -10.699 -8.180 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.499 -11.937 -7.900 1.00 28.90 O ATOM 264 OE2 GLU A 16 8.304 -10.284 -9.344 1.00 28.86 O ATOM 0 H GLU A 16 4.524 -8.952 -5.511 1.00 11.04 H new ATOM 0 HA GLU A 16 7.306 -8.502 -4.709 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.511 -10.606 -6.043 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.061 -9.526 -7.348 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.508 -8.719 -7.414 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.895 -9.981 -6.260 1.00 23.33 H new ATOM 271 N VAL A 17 7.559 -6.215 -5.500 1.00 8.99 N ATOM 272 CA VAL A 17 7.667 -4.826 -5.860 1.00 8.85 C ATOM 273 C VAL A 17 9.126 -4.439 -6.020 1.00 8.04 C ATOM 274 O VAL A 17 10.049 -5.268 -5.805 1.00 8.99 O ATOM 275 CB VAL A 17 6.977 -3.899 -4.875 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.461 -4.104 -4.840 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.578 -4.030 -3.502 1.00 10.54 C ATOM 0 H VAL A 17 8.259 -6.538 -4.832 1.00 8.99 H new ATOM 0 HA VAL A 17 7.149 -4.706 -6.812 1.00 8.85 H new ATOM 0 HB VAL A 17 7.145 -2.881 -5.226 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.017 -3.417 -4.120 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.045 -3.912 -5.829 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.239 -5.130 -4.546 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.066 -3.356 -2.815 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.467 -5.057 -3.153 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.636 -3.773 -3.542 1.00 10.54 H new ATOM 287 N GLU A 18 9.354 -3.214 -6.446 1.00 7.29 N ATOM 288 CA GLU A 18 10.687 -2.646 -6.535 1.00 7.08 C ATOM 289 C GLU A 18 10.766 -1.456 -5.669 1.00 6.45 C ATOM 290 O GLU A 18 9.681 -0.994 -5.461 1.00 5.28 O ATOM 291 CB GLU A 18 10.887 -2.116 -8.056 1.00 10.28 C ATOM 292 CG GLU A 18 10.747 -3.201 -9.113 1.00 12.65 C ATOM 293 CD GLU A 18 11.614 -4.444 -8.842 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.792 -4.209 -8.428 1.00 14.33 O ATOM 295 OE2 GLU A 18 11.179 -5.578 -9.024 1.00 18.17 O ATOM 0 H GLU A 18 8.614 -2.578 -6.743 1.00 7.29 H new ATOM 0 HA GLU A 18 11.430 -3.390 -6.246 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.156 -1.332 -8.256 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.874 -1.662 -8.145 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.702 -3.504 -9.174 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.016 -2.786 -10.085 1.00 12.65 H new ATOM 302 N PRO A 19 11.814 -0.899 -5.102 1.00 7.24 N ATOM 303 CA PRO A 19 11.770 0.271 -4.258 1.00 7.07 C ATOM 304 C PRO A 19 11.468 1.494 -4.995 1.00 6.65 C ATOM 305 O PRO A 19 11.348 2.590 -4.448 1.00 6.37 O ATOM 306 CB PRO A 19 13.238 0.226 -3.644 1.00 7.61 C ATOM 307 CG PRO A 19 14.063 -0.272 -4.790 1.00 8.16 C ATOM 308 CD PRO A 19 13.178 -1.388 -5.361 1.00 7.49 C ATOM 0 HA PRO A 19 10.977 0.272 -3.510 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.566 1.210 -3.307 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.296 -0.441 -2.784 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.256 0.511 -5.524 1.00 8.16 H new ATOM 0 HG3 PRO A 19 15.032 -0.648 -4.462 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.357 -1.539 -6.426 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.364 -2.342 -4.868 1.00 7.49 H new ATOM 316 N SER A 20 11.390 1.426 -6.358 1.00 6.80 N ATOM 317 CA SER A 20 11.229 2.554 -7.307 1.00 6.28 C ATOM 318 C SER A 20 9.815 2.652 -7.799 1.00 8.45 C ATOM 319 O SER A 20 9.427 3.618 -8.428 1.00 7.26 O ATOM 320 CB SER A 20 12.193 2.329 -8.467 1.00 8.57 C ATOM 321 OG SER A 20 11.954 1.085 -9.091 1.00 11.13 O ATOM 0 H SER A 20 11.441 0.530 -6.843 1.00 6.80 H new ATOM 0 HA SER A 20 11.454 3.495 -6.806 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.084 3.132 -9.196 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.220 2.366 -8.103 1.00 8.57 H new ATOM 0 HG SER A 20 12.583 0.965 -9.832 1.00 11.13 H new ATOM 327 N ASP A 21 9.003 1.637 -7.403 1.00 7.50 N ATOM 328 CA ASP A 21 7.576 1.661 -7.626 1.00 7.70 C ATOM 329 C ASP A 21 6.868 2.737 -6.800 1.00 7.08 C ATOM 330 O ASP A 21 7.234 3.146 -5.693 1.00 8.11 O ATOM 331 CB ASP A 21 6.954 0.277 -7.301 1.00 11.00 C ATOM 332 CG ASP A 21 7.444 -0.764 -8.314 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.810 -0.380 -9.466 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.380 -1.970 -7.996 1.00 18.03 O ATOM 0 H ASP A 21 9.337 0.799 -6.928 1.00 7.50 H new ATOM 0 HA ASP A 21 7.431 1.900 -8.679 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.229 -0.027 -6.291 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.866 0.341 -7.329 1.00 11.00 H new ATOM 339 N THR A 22 5.839 3.350 -7.420 1.00 5.37 N ATOM 340 CA THR A 22 4.905 4.256 -6.729 1.00 6.01 C ATOM 341 C THR A 22 3.994 3.648 -5.714 1.00 8.01 C ATOM 342 O THR A 22 3.659 2.493 -5.820 1.00 8.11 O ATOM 343 CB THR A 22 4.038 5.220 -7.533 1.00 8.92 C ATOM 344 OG1 THR A 22 3.077 4.594 -8.390 1.00 10.22 O ATOM 345 CG2 THR A 22 4.880 6.049 -8.443 1.00 9.65 C ATOM 0 H THR A 22 5.634 3.230 -8.412 1.00 5.37 H new ATOM 0 HA THR A 22 5.706 4.830 -6.264 1.00 6.01 H new ATOM 0 HB THR A 22 3.519 5.797 -6.767 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.520 3.910 -8.934 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.243 6.730 -9.008 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.594 6.624 -7.854 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.418 5.399 -9.133 1.00 9.65 H new ATOM 353 N ILE A 23 3.525 4.413 -4.702 1.00 8.32 N ATOM 354 CA ILE A 23 2.594 3.972 -3.712 1.00 9.92 C ATOM 355 C ILE A 23 1.264 3.654 -4.419 1.00 10.01 C ATOM 356 O ILE A 23 0.473 2.783 -4.093 1.00 8.71 O ATOM 357 CB ILE A 23 2.396 4.950 -2.546 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.674 5.221 -1.733 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.224 4.549 -1.555 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.444 4.063 -1.152 1.00 12.30 C ATOM 0 H ILE A 23 3.812 5.383 -4.573 1.00 8.32 H new ATOM 0 HA ILE A 23 3.006 3.080 -3.239 1.00 9.92 H new ATOM 0 HB ILE A 23 2.111 5.872 -3.054 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.357 5.778 -2.374 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.403 5.880 -0.908 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.150 5.291 -0.760 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.282 4.509 -2.103 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.433 3.571 -1.121 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.313 4.438 -0.612 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.804 3.507 -0.467 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.773 3.405 -1.956 1.00 12.30 H new ATOM 372 N GLU A 24 0.981 4.382 -5.514 1.00 9.54 N ATOM 373 CA GLU A 24 -0.158 4.096 -6.376 1.00 11.81 C ATOM 374 C GLU A 24 0.018 2.793 -7.138 1.00 11.14 C ATOM 375 O GLU A 24 -0.919 2.047 -7.209 1.00 10.62 O ATOM 376 CB GLU A 24 -0.590 5.350 -7.262 1.00 19.24 C ATOM 377 CG GLU A 24 -1.910 5.270 -8.090 1.00 27.76 C ATOM 378 CD GLU A 24 -2.105 6.473 -8.996 1.00 32.92 C ATOM 379 OE1 GLU A 24 -2.127 7.636 -8.419 1.00 36.51 O ATOM 380 OE2 GLU A 24 -2.124 6.348 -10.268 1.00 34.80 O ATOM 0 H GLU A 24 1.539 5.180 -5.817 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.022 3.924 -5.735 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.669 6.211 -6.598 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.223 5.558 -7.958 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.901 4.363 -8.694 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.757 5.191 -7.409 1.00 27.76 H new ATOM 387 N ASN A 25 1.266 2.386 -7.666 1.00 9.43 N ATOM 388 CA ASN A 25 1.447 1.032 -8.225 1.00 10.96 C ATOM 389 C ASN A 25 1.125 -0.061 -7.265 1.00 9.68 C ATOM 390 O ASN A 25 0.499 -1.093 -7.634 1.00 9.33 O ATOM 391 CB ASN A 25 2.853 0.677 -8.709 1.00 16.78 C ATOM 392 CG ASN A 25 3.393 1.522 -9.839 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.290 2.349 -9.700 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.860 1.277 -11.040 1.00 24.70 N ATOM 0 H ASN A 25 2.098 2.976 -7.697 1.00 9.43 H new ATOM 0 HA ASN A 25 0.756 1.090 -9.066 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.538 0.753 -7.864 1.00 16.78 H new ATOM 0 HB3 ASN A 25 2.855 -0.365 -9.027 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.198 1.781 -11.860 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.116 0.586 -11.136 1.00 24.70 H new ATOM 401 N VAL A 26 1.495 0.144 -5.970 1.00 6.52 N ATOM 402 CA VAL A 26 1.266 -0.756 -4.939 1.00 5.53 C ATOM 403 C VAL A 26 -0.221 -0.912 -4.608 1.00 4.42 C ATOM 404 O VAL A 26 -0.760 -2.013 -4.495 1.00 3.40 O ATOM 405 CB VAL A 26 2.154 -0.357 -3.737 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.769 -1.120 -2.396 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.719 -0.399 -4.104 1.00 8.12 C ATOM 0 H VAL A 26 1.975 0.990 -5.664 1.00 6.52 H new ATOM 0 HA VAL A 26 1.555 -1.760 -5.251 1.00 5.53 H new ATOM 0 HB VAL A 26 1.939 0.688 -3.515 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.428 -0.796 -1.591 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.736 -0.893 -2.132 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.878 -2.194 -2.544 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.305 -0.112 -3.231 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.994 -1.408 -4.410 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.920 0.295 -4.920 1.00 8.12 H new ATOM 417 N LYS A 27 -1.082 0.187 -4.533 1.00 2.64 N ATOM 418 CA LYS A 27 -2.542 0.259 -4.409 1.00 4.14 C ATOM 419 C LYS A 27 -3.136 -0.402 -5.666 1.00 5.58 C ATOM 420 O LYS A 27 -4.112 -1.148 -5.550 1.00 4.11 O ATOM 421 CB LYS A 27 -3.163 1.713 -4.429 1.00 3.97 C ATOM 422 CG LYS A 27 -2.845 2.496 -3.147 1.00 7.45 C ATOM 423 CD LYS A 27 -3.433 3.925 -3.087 1.00 9.02 C ATOM 424 CE LYS A 27 -3.041 4.619 -1.758 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.844 5.810 -1.583 1.00 15.47 N ATOM 0 H LYS A 27 -0.689 1.128 -4.565 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.770 -0.204 -3.449 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.779 2.259 -5.291 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.244 1.643 -4.552 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.218 1.931 -2.293 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.762 2.561 -3.039 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.068 4.510 -3.931 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.519 3.882 -3.175 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.193 3.938 -0.921 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.983 4.879 -1.769 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.339 6.483 -0.972 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.020 6.249 -2.509 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.751 5.556 -1.142 1.00 15.47 H new ATOM 439 N ALA A 28 -2.584 -0.209 -6.884 1.00 6.61 N ATOM 440 CA ALA A 28 -3.030 -0.936 -8.090 1.00 7.74 C ATOM 441 C ALA A 28 -2.820 -2.441 -8.200 1.00 9.17 C ATOM 442 O ALA A 28 -3.560 -3.134 -8.925 1.00 11.45 O ATOM 443 CB ALA A 28 -2.338 -0.283 -9.365 1.00 7.68 C ATOM 0 H ALA A 28 -1.824 0.449 -7.057 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.113 -0.831 -8.019 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.659 -0.811 -10.263 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.626 0.766 -9.438 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.255 -0.356 -9.269 1.00 7.68 H new ATOM 449 N LYS A 29 -1.729 -2.918 -7.543 1.00 8.96 N ATOM 450 CA LYS A 29 -1.359 -4.340 -7.358 1.00 7.90 C ATOM 451 C LYS A 29 -2.227 -4.988 -6.256 1.00 6.92 C ATOM 452 O LYS A 29 -2.602 -6.145 -6.404 1.00 6.87 O ATOM 453 CB LYS A 29 0.172 -4.404 -7.220 1.00 10.28 C ATOM 454 CG LYS A 29 0.821 -5.782 -7.327 1.00 14.94 C ATOM 455 CD LYS A 29 2.337 -5.729 -7.207 1.00 19.69 C ATOM 456 CE LYS A 29 2.927 -5.173 -8.499 1.00 22.63 C ATOM 457 NZ LYS A 29 4.374 -4.972 -8.435 1.00 24.98 N ATOM 0 H LYS A 29 -1.054 -2.288 -7.109 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.591 -4.972 -8.216 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.608 -3.764 -7.987 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.443 -3.976 -6.255 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.421 -6.429 -6.546 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.552 -6.232 -8.282 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.625 -5.102 -6.363 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.733 -6.726 -7.013 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.698 -5.855 -9.318 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.445 -4.223 -8.731 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.800 -5.225 -9.349 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.577 -3.974 -8.223 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.775 -5.573 -7.687 1.00 24.98 H new ATOM 471 N ILE A 30 -2.694 -4.224 -5.263 1.00 4.57 N ATOM 472 CA ILE A 30 -3.775 -4.628 -4.350 1.00 5.58 C ATOM 473 C ILE A 30 -5.098 -4.757 -5.062 1.00 7.26 C ATOM 474 O ILE A 30 -5.696 -5.821 -5.018 1.00 9.46 O ATOM 475 CB ILE A 30 -3.826 -3.797 -3.105 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.512 -3.846 -2.262 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.026 -4.103 -2.150 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.398 -2.754 -1.134 1.00 2.00 C ATOM 0 H ILE A 30 -2.328 -3.293 -5.066 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.537 -5.631 -3.997 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.964 -2.796 -3.514 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.431 -4.831 -1.802 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.662 -3.739 -2.936 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.973 -3.450 -1.279 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.964 -3.930 -2.677 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.978 -5.143 -1.827 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.451 -2.873 -0.607 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.442 -1.762 -1.583 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.222 -2.870 -0.430 1.00 2.00 H new ATOM 490 N GLN A 31 -5.494 -3.782 -5.939 1.00 7.06 N ATOM 491 CA GLN A 31 -6.629 -3.917 -6.825 1.00 8.67 C ATOM 492 C GLN A 31 -6.651 -5.196 -7.680 1.00 10.90 C ATOM 493 O GLN A 31 -7.713 -5.834 -7.790 1.00 9.63 O ATOM 494 CB GLN A 31 -6.702 -2.640 -7.695 1.00 9.12 C ATOM 495 CG GLN A 31 -7.848 -2.630 -8.746 1.00 10.76 C ATOM 496 CD GLN A 31 -7.659 -1.469 -9.741 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.619 -0.796 -9.937 1.00 14.48 O ATOM 498 NE2 GLN A 31 -8.819 -1.043 -10.265 1.00 14.76 N ATOM 0 H GLN A 31 -5.012 -2.887 -6.028 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.518 -4.025 -6.204 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.822 -1.777 -7.039 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.751 -2.516 -8.214 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.864 -3.578 -9.284 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.810 -2.532 -8.243 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.674 -1.579 -10.115 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -8.846 -0.183 -10.813 1.00 14.76 H new ATOM 507 N ASP A 32 -5.507 -5.500 -8.260 1.00 10.93 N ATOM 508 CA ASP A 32 -5.288 -6.691 -9.101 1.00 14.01 C ATOM 509 C ASP A 32 -5.650 -8.018 -8.434 1.00 14.04 C ATOM 510 O ASP A 32 -6.145 -8.986 -9.005 1.00 13.39 O ATOM 511 CB ASP A 32 -3.875 -6.682 -9.620 1.00 18.01 C ATOM 512 CG ASP A 32 -3.711 -7.704 -10.759 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.351 -7.459 -11.774 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.902 -8.705 -10.677 1.00 25.17 O ATOM 0 H ASP A 32 -4.674 -4.919 -8.166 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.986 -6.623 -9.936 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.620 -5.685 -9.979 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.183 -6.916 -8.811 1.00 18.01 H new ATOM 519 N LYS A 33 -5.423 -8.058 -7.136 1.00 14.22 N ATOM 520 CA LYS A 33 -5.716 -9.155 -6.188 1.00 14.00 C ATOM 521 C LYS A 33 -7.134 -9.175 -5.611 1.00 12.37 C ATOM 522 O LYS A 33 -7.949 -10.071 -5.747 1.00 12.17 O ATOM 523 CB LYS A 33 -4.674 -9.003 -4.988 1.00 18.62 C ATOM 524 CG LYS A 33 -3.187 -9.113 -5.332 1.00 24.00 C ATOM 525 CD LYS A 33 -2.654 -10.502 -5.672 1.00 27.61 C ATOM 526 CE LYS A 33 -1.254 -10.541 -6.352 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.167 -11.801 -7.098 1.00 30.06 N ATOM 0 H LYS A 33 -4.993 -7.265 -6.661 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.630 -10.090 -6.742 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.841 -8.034 -4.517 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.905 -9.764 -4.242 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.986 -8.457 -6.179 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.615 -8.728 -4.488 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.608 -11.088 -4.754 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.370 -10.995 -6.329 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.127 -9.689 -7.020 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.462 -10.481 -5.605 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.241 -11.863 -7.568 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.277 -12.601 -6.442 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.921 -11.834 -7.813 1.00 30.06 H new ATOM 541 N GLU A 34 -7.488 -8.040 -5.007 1.00 10.11 N ATOM 542 CA GLU A 34 -8.668 -7.923 -4.117 1.00 10.07 C ATOM 543 C GLU A 34 -9.825 -7.105 -4.644 1.00 9.32 C ATOM 544 O GLU A 34 -10.915 -7.088 -4.088 1.00 11.61 O ATOM 545 CB GLU A 34 -8.339 -7.429 -2.729 1.00 14.77 C ATOM 546 CG GLU A 34 -7.526 -8.402 -1.822 1.00 18.75 C ATOM 547 CD GLU A 34 -8.286 -9.620 -1.380 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.946 -9.447 -0.322 1.00 25.19 O ATOM 549 OE2 GLU A 34 -8.231 -10.733 -1.933 1.00 21.95 O ATOM 0 H GLU A 34 -6.970 -7.168 -5.115 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.995 -8.962 -4.078 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.778 -6.499 -2.821 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.273 -7.189 -2.221 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.634 -8.721 -2.361 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -7.188 -7.859 -0.939 1.00 18.75 H new ATOM 556 N GLY A 35 -9.655 -6.453 -5.784 1.00 7.22 N ATOM 557 CA GLY A 35 -10.808 -5.966 -6.427 1.00 6.29 C ATOM 558 C GLY A 35 -11.298 -4.631 -5.870 1.00 6.93 C ATOM 559 O GLY A 35 -12.461 -4.230 -5.927 1.00 7.41 O ATOM 0 H GLY A 35 -8.764 -6.268 -6.245 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.600 -5.853 -7.491 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.605 -6.704 -6.335 1.00 6.29 H new ATOM 563 N ILE A 36 -10.275 -3.842 -5.393 1.00 5.86 N ATOM 564 CA ILE A 36 -10.536 -2.484 -4.806 1.00 6.07 C ATOM 565 C ILE A 36 -9.789 -1.360 -5.558 1.00 6.36 C ATOM 566 O ILE A 36 -8.527 -1.392 -5.524 1.00 6.18 O ATOM 567 CB ILE A 36 -10.139 -2.468 -3.329 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.818 -3.690 -2.614 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.511 -1.151 -2.596 1.00 7.36 C ATOM 570 CD1 ILE A 36 -10.705 -3.680 -1.096 1.00 9.49 C ATOM 0 H ILE A 36 -9.292 -4.115 -5.403 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.604 -2.291 -4.909 1.00 6.07 H new ATOM 0 HB ILE A 36 -9.052 -2.538 -3.284 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.873 -3.713 -2.886 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.371 -4.609 -2.992 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -10.199 -1.214 -1.554 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.006 -0.312 -3.076 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.590 -1.001 -2.643 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -11.202 -4.560 -0.688 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -9.653 -3.691 -0.809 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -11.179 -2.781 -0.702 1.00 9.49 H new ATOM 582 N PRO A 37 -10.417 -0.416 -6.291 1.00 8.65 N ATOM 583 CA PRO A 37 -9.795 0.814 -6.745 1.00 9.18 C ATOM 584 C PRO A 37 -8.705 1.559 -5.836 1.00 9.85 C ATOM 585 O PRO A 37 -9.079 1.657 -4.656 1.00 8.51 O ATOM 586 CB PRO A 37 -11.047 1.750 -6.946 1.00 11.42 C ATOM 587 CG PRO A 37 -12.079 0.796 -7.395 1.00 9.27 C ATOM 588 CD PRO A 37 -11.941 -0.342 -6.461 1.00 8.33 C ATOM 0 HA PRO A 37 -9.173 0.572 -7.607 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.332 2.253 -6.022 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -10.860 2.527 -7.687 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.076 1.234 -7.347 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -11.916 0.488 -8.428 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.451 -0.160 -5.515 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.353 -1.263 -6.873 1.00 8.33 H new ATOM 596 N PRO A 38 -7.610 2.124 -6.276 1.00 8.71 N ATOM 597 CA PRO A 38 -6.738 2.995 -5.432 1.00 9.08 C ATOM 598 C PRO A 38 -7.417 4.214 -4.748 1.00 9.28 C ATOM 599 O PRO A 38 -6.864 4.566 -3.741 1.00 6.50 O ATOM 600 CB PRO A 38 -5.564 3.416 -6.267 1.00 10.31 C ATOM 601 CG PRO A 38 -5.452 2.174 -7.137 1.00 10.81 C ATOM 602 CD PRO A 38 -6.902 1.666 -7.445 1.00 12.00 C ATOM 0 HA PRO A 38 -6.438 2.390 -4.576 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.757 4.321 -6.843 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.668 3.600 -5.675 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -4.924 2.403 -8.063 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -4.878 1.401 -6.626 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.302 2.095 -8.364 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -6.944 0.582 -7.554 1.00 12.00 H new ATOM 610 N ASP A 39 -8.593 4.679 -5.204 1.00 11.20 N ATOM 611 CA ASP A 39 -9.338 5.657 -4.404 1.00 14.96 C ATOM 612 C ASP A 39 -10.157 5.138 -3.278 1.00 13.99 C ATOM 613 O ASP A 39 -10.783 5.957 -2.605 1.00 13.75 O ATOM 614 CB ASP A 39 -10.285 6.483 -5.338 1.00 24.16 C ATOM 615 CG ASP A 39 -9.429 7.241 -6.354 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.788 8.208 -6.004 1.00 34.22 O ATOM 617 OD2 ASP A 39 -9.483 6.858 -7.521 1.00 35.55 O ATOM 0 H ASP A 39 -9.031 4.406 -6.084 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.551 6.250 -3.938 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.983 5.821 -5.851 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.881 7.181 -4.750 1.00 24.16 H new ATOM 622 N GLN A 40 -10.263 3.807 -3.148 1.00 11.60 N ATOM 623 CA GLN A 40 -10.921 3.194 -2.035 1.00 10.76 C ATOM 624 C GLN A 40 -9.871 2.722 -1.092 1.00 8.01 C ATOM 625 O GLN A 40 -10.142 1.864 -0.216 1.00 8.96 O ATOM 626 CB GLN A 40 -11.974 2.151 -2.500 1.00 11.14 C ATOM 627 CG GLN A 40 -13.295 2.858 -2.899 1.00 14.85 C ATOM 628 CD GLN A 40 -14.214 1.914 -3.690 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.472 2.162 -4.868 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.686 0.823 -3.093 1.00 18.16 N ATOM 0 H GLN A 40 -9.887 3.143 -3.825 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.535 3.900 -1.476 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.586 1.586 -3.348 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.164 1.435 -1.700 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.810 3.205 -2.003 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.072 3.740 -3.500 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.459 0.638 -2.116 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.275 0.172 -3.612 1.00 18.16 H new ATOM 639 N GLN A 41 -8.600 3.262 -1.155 1.00 6.52 N ATOM 640 CA GLN A 41 -7.466 2.734 -0.400 1.00 3.87 C ATOM 641 C GLN A 41 -6.480 3.794 0.122 1.00 4.79 C ATOM 642 O GLN A 41 -6.217 4.897 -0.411 1.00 6.34 O ATOM 643 CB GLN A 41 -6.550 1.813 -1.214 1.00 4.20 C ATOM 644 CG GLN A 41 -7.206 0.637 -1.904 1.00 3.20 C ATOM 645 CD GLN A 41 -6.171 -0.196 -2.669 1.00 4.89 C ATOM 646 OE1 GLN A 41 -5.154 -0.486 -2.041 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.369 -0.664 -3.936 1.00 7.13 N ATOM 0 H GLN A 41 -8.366 4.068 -1.734 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.992 2.223 0.406 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.049 2.415 -1.972 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.776 1.429 -0.549 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.709 0.012 -1.166 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.971 0.995 -2.593 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.217 -0.415 -4.445 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.669 -1.262 -4.374 1.00 7.13 H new ATOM 656 N ARG A 42 -5.840 3.442 1.213 1.00 5.73 N ATOM 657 CA ARG A 42 -4.832 4.231 1.872 1.00 6.97 C ATOM 658 C ARG A 42 -3.921 3.230 2.445 1.00 7.15 C ATOM 659 O ARG A 42 -4.394 2.209 2.856 1.00 7.33 O ATOM 660 CB ARG A 42 -5.441 5.005 3.004 1.00 13.23 C ATOM 661 CG ARG A 42 -6.201 6.291 2.524 1.00 21.27 C ATOM 662 CD ARG A 42 -6.845 6.949 3.698 1.00 26.14 C ATOM 663 NE ARG A 42 -7.119 8.392 3.286 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.011 9.200 3.865 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.045 8.704 4.571 1.00 35.30 N ATOM 666 NH2 ARG A 42 -7.842 10.497 3.647 1.00 36.39 N ATOM 0 H ARG A 42 -6.018 2.556 1.685 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.352 4.936 1.193 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.133 4.361 3.547 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.657 5.292 3.704 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.507 6.979 2.042 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -6.954 6.027 1.782 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.770 6.440 3.969 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.193 6.911 4.571 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.579 8.769 2.507 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.157 7.695 4.671 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.716 9.337 5.006 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.067 10.820 3.068 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.487 11.172 4.059 1.00 36.39 H new ATOM 680 N LEU A 43 -2.646 3.489 2.541 1.00 4.65 N ATOM 681 CA LEU A 43 -1.667 2.536 3.065 1.00 3.51 C ATOM 682 C LEU A 43 -0.820 3.164 4.117 1.00 5.56 C ATOM 683 O LEU A 43 -0.156 4.177 3.936 1.00 4.19 O ATOM 684 CB LEU A 43 -0.855 2.046 1.839 1.00 3.74 C ATOM 685 CG LEU A 43 -1.540 1.209 0.735 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.764 1.072 -0.572 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.965 -0.205 1.145 1.00 6.41 C ATOM 0 H LEU A 43 -2.237 4.379 2.256 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.141 1.689 3.561 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.431 2.928 1.359 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.020 1.457 2.219 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.423 1.826 0.571 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.337 0.466 -1.274 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.595 2.060 -1.000 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.195 0.592 -0.377 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.434 -0.704 0.297 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.089 -0.771 1.460 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.675 -0.147 1.970 1.00 6.41 H new ATOM 699 N ILE A 44 -0.816 2.557 5.312 1.00 4.58 N ATOM 700 CA ILE A 44 -0.159 3.055 6.512 1.00 5.55 C ATOM 701 C ILE A 44 1.112 2.252 6.812 1.00 5.46 C ATOM 702 O ILE A 44 1.144 1.045 6.724 1.00 6.04 O ATOM 703 CB ILE A 44 -1.133 3.164 7.777 1.00 6.80 C ATOM 704 CG1 ILE A 44 -1.904 4.468 7.559 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.457 3.206 9.155 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.053 4.527 6.617 1.00 13.90 C ATOM 0 H ILE A 44 -1.293 1.669 5.467 1.00 4.58 H new ATOM 0 HA ILE A 44 0.138 4.083 6.303 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.741 2.260 7.817 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.273 4.788 8.533 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -1.182 5.215 7.230 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.218 3.280 9.932 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.125 2.296 9.303 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.203 4.072 9.210 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.462 5.537 6.605 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.716 4.260 5.615 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -3.824 3.827 6.939 1.00 13.90 H new ATOM 718 N PHE A 45 2.196 2.954 7.101 1.00 6.75 N ATOM 719 CA PHE A 45 3.418 2.429 7.616 1.00 4.70 C ATOM 720 C PHE A 45 3.848 3.237 8.747 1.00 6.34 C ATOM 721 O PHE A 45 4.048 4.433 8.616 1.00 5.45 O ATOM 722 CB PHE A 45 4.539 2.332 6.465 1.00 5.51 C ATOM 723 CG PHE A 45 5.679 1.477 6.873 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.503 0.062 6.973 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.907 2.078 7.268 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.606 -0.735 7.318 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.935 1.266 7.744 1.00 6.64 C ATOM 728 CZ PHE A 45 7.801 -0.161 7.646 1.00 6.84 C ATOM 0 H PHE A 45 2.232 3.965 6.969 1.00 6.75 H new ATOM 0 HA PHE A 45 3.258 1.410 7.969 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.092 1.931 5.556 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.902 3.332 6.227 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.538 -0.386 6.786 1.00 6.86 H new ATOM 0 HD2 PHE A 45 7.040 3.148 7.200 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.509 -1.811 7.324 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.820 1.704 8.181 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.659 -0.790 7.835 1.00 6.84 H new ATOM 738 N ALA A 46 4.016 2.613 9.924 1.00 6.53 N ATOM 739 CA ALA A 46 4.652 3.255 11.096 1.00 7.15 C ATOM 740 C ALA A 46 3.763 4.446 11.519 1.00 9.00 C ATOM 741 O ALA A 46 4.266 5.514 11.878 1.00 11.15 O ATOM 742 CB ALA A 46 6.146 3.583 10.950 1.00 8.99 C ATOM 0 H ALA A 46 3.718 1.653 10.094 1.00 6.53 H new ATOM 0 HA ALA A 46 4.695 2.527 11.907 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.507 4.050 11.866 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.704 2.665 10.766 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.288 4.268 10.114 1.00 8.99 H new ATOM 748 N GLY A 47 2.478 4.325 11.514 1.00 9.35 N ATOM 749 CA GLY A 47 1.569 5.360 12.001 1.00 11.68 C ATOM 750 C GLY A 47 1.355 6.524 11.047 1.00 11.14 C ATOM 751 O GLY A 47 0.577 7.441 11.304 1.00 13.93 O ATOM 0 H GLY A 47 2.000 3.493 11.168 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.603 4.903 12.216 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.955 5.748 12.944 1.00 11.68 H new ATOM 755 N LYS A 48 2.050 6.428 9.864 1.00 10.47 N ATOM 756 CA LYS A 48 2.074 7.455 8.853 1.00 8.82 C ATOM 757 C LYS A 48 1.526 6.893 7.534 1.00 7.68 C ATOM 758 O LYS A 48 1.632 5.742 7.241 1.00 6.47 O ATOM 759 CB LYS A 48 3.521 7.996 8.706 1.00 9.74 C ATOM 760 CG LYS A 48 3.532 9.416 8.185 1.00 14.14 C ATOM 761 CD LYS A 48 4.870 10.174 8.523 1.00 16.32 C ATOM 762 CE LYS A 48 4.744 11.667 8.342 1.00 20.04 C ATOM 763 NZ LYS A 48 4.508 12.150 6.994 1.00 23.92 N ATOM 0 H LYS A 48 2.606 5.609 9.618 1.00 10.47 H new ATOM 0 HA LYS A 48 1.435 8.290 9.142 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.025 7.958 9.672 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.083 7.354 8.028 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.388 9.404 7.105 1.00 14.14 H new ATOM 0 HG3 LYS A 48 2.691 9.962 8.612 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.157 9.958 9.552 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.669 9.799 7.883 1.00 16.32 H new ATOM 0 HE2 LYS A 48 3.929 12.017 8.975 1.00 20.04 H new ATOM 0 HE3 LYS A 48 5.658 12.131 8.713 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 4.441 13.188 7.004 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 5.294 11.860 6.379 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 3.619 11.749 6.632 1.00 23.92 H new ATOM 777 N GLN A 49 0.883 7.810 6.700 1.00 8.89 N ATOM 778 CA GLN A 49 0.154 7.377 5.550 1.00 7.18 C ATOM 779 C GLN A 49 0.960 7.715 4.308 1.00 8.23 C ATOM 780 O GLN A 49 1.380 8.886 4.149 1.00 9.70 O ATOM 781 CB GLN A 49 -1.228 8.125 5.492 1.00 11.67 C ATOM 782 CG GLN A 49 -2.257 7.719 4.382 1.00 15.82 C ATOM 783 CD GLN A 49 -3.543 8.524 4.367 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.029 8.755 3.238 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.183 8.856 5.501 1.00 20.67 N ATOM 0 H GLN A 49 0.887 8.819 6.846 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.020 6.302 5.603 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.715 7.994 6.458 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.023 9.190 5.379 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.775 7.816 3.409 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.508 6.666 4.509 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.757 8.653 6.405 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.095 9.311 5.458 1.00 20.67 H new ATOM 794 N LEU A 50 1.291 6.749 3.422 1.00 6.51 N ATOM 795 CA LEU A 50 2.106 6.945 2.257 1.00 7.41 C ATOM 796 C LEU A 50 1.332 7.559 1.071 1.00 8.27 C ATOM 797 O LEU A 50 0.358 6.948 0.662 1.00 8.34 O ATOM 798 CB LEU A 50 2.831 5.630 1.976 1.00 7.13 C ATOM 799 CG LEU A 50 3.373 4.803 3.217 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.793 3.389 2.629 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.403 5.587 4.012 1.00 9.11 C ATOM 0 H LEU A 50 0.974 5.785 3.525 1.00 6.51 H new ATOM 0 HA LEU A 50 2.863 7.708 2.436 1.00 7.41 H new ATOM 0 HB2 LEU A 50 2.152 4.987 1.416 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.677 5.847 1.323 1.00 7.13 H new ATOM 0 HG LEU A 50 2.631 4.622 3.994 1.00 7.53 H new ATOM 0 HD11 LEU A 50 4.179 2.761 3.432 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.924 2.909 2.179 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.565 3.525 1.872 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.749 4.985 4.853 1.00 9.11 H new ATOM 0 HD22 LEU A 50 5.249 5.833 3.370 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.952 6.506 4.385 1.00 9.11 H new ATOM 813 N GLU A 51 1.735 8.711 0.532 1.00 9.43 N ATOM 814 CA GLU A 51 0.900 9.332 -0.501 1.00 11.90 C ATOM 815 C GLU A 51 1.187 8.735 -1.928 1.00 11.49 C ATOM 816 O GLU A 51 2.325 8.383 -2.289 1.00 9.88 O ATOM 817 CB GLU A 51 1.077 10.841 -0.483 1.00 16.56 C ATOM 818 CG GLU A 51 0.852 11.492 0.948 1.00 26.06 C ATOM 819 CD GLU A 51 1.260 12.936 0.916 1.00 29.86 C ATOM 820 OE1 GLU A 51 0.700 13.712 0.116 1.00 33.44 O ATOM 821 OE2 GLU A 51 2.221 13.335 1.626 1.00 32.13 O ATOM 0 H GLU A 51 2.589 9.213 0.776 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.141 9.104 -0.272 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.081 11.084 -0.830 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.379 11.289 -1.190 1.00 16.56 H new ATOM 0 HG2 GLU A 51 -0.196 11.406 1.237 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.434 10.956 1.698 1.00 26.06 H new ATOM 828 N ASP A 52 0.117 8.597 -2.771 1.00 12.71 N ATOM 829 CA ASP A 52 0.034 7.910 -4.000 1.00 16.56 C ATOM 830 C ASP A 52 1.150 8.266 -5.008 1.00 15.83 C ATOM 831 O ASP A 52 1.715 7.349 -5.632 1.00 17.21 O ATOM 832 CB ASP A 52 -1.427 8.185 -4.517 1.00 21.05 C ATOM 833 CG ASP A 52 -2.607 7.798 -3.643 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.776 8.415 -2.574 1.00 25.82 O ATOM 835 OD2 ASP A 52 -3.416 6.951 -4.057 1.00 28.37 O ATOM 0 H ASP A 52 -0.777 9.028 -2.536 1.00 12.71 H new ATOM 0 HA ASP A 52 0.210 6.842 -3.869 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.507 9.253 -4.722 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.541 7.668 -5.470 1.00 21.05 H new ATOM 840 N GLY A 53 1.501 9.566 -5.046 1.00 15.00 N ATOM 841 CA GLY A 53 2.404 10.059 -6.109 1.00 11.77 C ATOM 842 C GLY A 53 3.926 10.105 -5.782 1.00 11.10 C ATOM 843 O GLY A 53 4.608 10.989 -6.323 1.00 11.25 O ATOM 0 H GLY A 53 1.188 10.273 -4.380 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.266 9.430 -6.989 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.086 11.065 -6.383 1.00 11.77 H new ATOM 847 N ARG A 54 4.374 9.210 -4.913 1.00 8.53 N ATOM 848 CA ARG A 54 5.753 9.061 -4.503 1.00 9.05 C ATOM 849 C ARG A 54 6.042 7.562 -4.614 1.00 8.96 C ATOM 850 O ARG A 54 5.130 6.733 -4.717 1.00 11.60 O ATOM 851 CB ARG A 54 5.898 9.509 -3.025 1.00 7.97 C ATOM 852 CG ARG A 54 5.063 10.708 -2.540 1.00 9.62 C ATOM 853 CD ARG A 54 5.474 12.096 -2.921 1.00 12.20 C ATOM 854 NE ARG A 54 4.353 13.141 -2.785 1.00 18.23 N ATOM 855 CZ ARG A 54 3.728 13.467 -1.643 1.00 22.08 C ATOM 856 NH1 ARG A 54 4.133 12.985 -0.462 1.00 25.50 N ATOM 857 NH2 ARG A 54 2.545 14.018 -1.753 1.00 23.38 N ATOM 0 H ARG A 54 3.754 8.540 -4.457 1.00 8.53 H new ATOM 0 HA ARG A 54 6.435 9.658 -5.109 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.652 8.655 -2.393 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.948 9.743 -2.850 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.043 10.561 -2.895 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.031 10.664 -1.451 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.316 12.398 -2.298 1.00 12.20 H new ATOM 0 HD3 ARG A 54 5.827 12.089 -3.952 1.00 12.20 H new ATOM 0 HE ARG A 54 4.061 13.626 -3.633 1.00 18.23 H new ATOM 0 HH11 ARG A 54 4.934 12.355 -0.416 1.00 25.50 H new ATOM 0 HH12 ARG A 54 3.641 13.248 0.392 1.00 25.50 H new ATOM 0 HH21 ARG A 54 2.142 14.180 -2.676 1.00 23.38 H new ATOM 0 HH22 ARG A 54 2.027 14.285 -0.916 1.00 23.38 H new ATOM 871 N THR A 55 7.299 7.247 -4.546 1.00 9.05 N ATOM 872 CA THR A 55 7.902 5.920 -4.656 1.00 9.03 C ATOM 873 C THR A 55 8.067 5.328 -3.300 1.00 8.15 C ATOM 874 O THR A 55 8.049 5.924 -2.263 1.00 5.91 O ATOM 875 CB THR A 55 9.183 5.743 -5.497 1.00 11.15 C ATOM 876 OG1 THR A 55 10.362 6.182 -4.772 1.00 11.95 O ATOM 877 CG2 THR A 55 9.194 6.514 -6.868 1.00 11.71 C ATOM 0 H THR A 55 8.008 7.966 -4.399 1.00 9.05 H new ATOM 0 HA THR A 55 7.176 5.377 -5.261 1.00 9.03 H new ATOM 0 HB THR A 55 9.197 4.672 -5.701 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.362 7.160 -4.709 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.136 6.326 -7.384 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.366 6.168 -7.487 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.088 7.583 -6.685 1.00 11.71 H new ATOM 885 N LEU A 56 8.329 3.982 -3.239 1.00 6.91 N ATOM 886 CA LEU A 56 8.629 3.350 -1.978 1.00 8.29 C ATOM 887 C LEU A 56 9.945 3.895 -1.298 1.00 8.05 C ATOM 888 O LEU A 56 10.023 4.015 -0.102 1.00 10.17 O ATOM 889 CB LEU A 56 8.778 1.794 -2.187 1.00 6.60 C ATOM 890 CG LEU A 56 7.452 0.992 -2.393 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.693 -0.389 -3.004 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.603 0.868 -1.075 1.00 8.64 C ATOM 0 H LEU A 56 8.331 3.356 -4.045 1.00 6.91 H new ATOM 0 HA LEU A 56 7.798 3.584 -1.313 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.418 1.625 -3.053 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.297 1.381 -1.322 1.00 6.60 H new ATOM 0 HG LEU A 56 6.870 1.577 -3.105 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.740 -0.904 -3.126 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.173 -0.278 -3.976 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.338 -0.971 -2.346 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.694 0.302 -1.279 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.188 0.353 -0.313 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.338 1.863 -0.718 1.00 8.64 H new ATOM 904 N SER A 57 10.955 4.209 -2.097 1.00 8.92 N ATOM 905 CA SER A 57 12.269 4.698 -1.572 1.00 9.00 C ATOM 906 C SER A 57 12.285 6.177 -1.137 1.00 9.44 C ATOM 907 O SER A 57 13.062 6.459 -0.238 1.00 10.91 O ATOM 908 CB SER A 57 13.319 4.316 -2.629 1.00 10.32 C ATOM 909 OG SER A 57 14.695 4.484 -2.277 1.00 13.59 O ATOM 0 H SER A 57 10.912 4.142 -3.114 1.00 8.92 H new ATOM 0 HA SER A 57 12.501 4.215 -0.623 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.164 3.271 -2.896 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.126 4.906 -3.525 1.00 10.32 H new ATOM 0 HG SER A 57 15.261 4.207 -3.028 1.00 13.59 H new ATOM 915 N ASP A 58 11.307 6.953 -1.662 1.00 9.11 N ATOM 916 CA ASP A 58 10.952 8.244 -1.094 1.00 7.91 C ATOM 917 C ASP A 58 10.443 8.152 0.331 1.00 9.12 C ATOM 918 O ASP A 58 10.771 8.993 1.198 1.00 8.61 O ATOM 919 CB ASP A 58 9.933 8.975 -1.975 1.00 8.41 C ATOM 920 CG ASP A 58 10.552 9.181 -3.348 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.714 9.635 -3.421 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.859 8.875 -4.400 1.00 11.70 O ATOM 0 H ASP A 58 10.757 6.692 -2.481 1.00 9.11 H new ATOM 0 HA ASP A 58 11.877 8.820 -1.063 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.014 8.394 -2.056 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.666 9.934 -1.531 1.00 8.41 H new ATOM 927 N TYR A 59 9.731 7.059 0.706 1.00 7.97 N ATOM 928 CA TYR A 59 9.318 6.772 2.007 1.00 8.45 C ATOM 929 C TYR A 59 10.251 5.780 2.742 1.00 10.98 C ATOM 930 O TYR A 59 9.931 5.247 3.812 1.00 12.95 O ATOM 931 CB TYR A 59 7.927 6.155 1.937 1.00 7.94 C ATOM 932 CG TYR A 59 6.956 7.248 1.758 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.557 8.082 2.819 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.247 7.403 0.575 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.580 9.055 2.648 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.210 8.325 0.373 1.00 6.52 C ATOM 937 CZ TYR A 59 4.924 9.193 1.384 1.00 6.76 C ATOM 938 OH TYR A 59 4.052 10.256 1.257 1.00 7.63 O ATOM 0 H TYR A 59 9.439 6.348 0.036 1.00 7.97 H new ATOM 0 HA TYR A 59 9.334 7.707 2.567 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.864 5.449 1.109 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.710 5.598 2.848 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.020 7.963 3.787 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.515 6.764 -0.254 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.316 9.706 3.468 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.656 8.347 -0.554 1.00 6.52 H new ATOM 0 HH TYR A 59 4.350 10.993 1.830 1.00 7.63 H new ATOM 948 N ASN A 60 11.401 5.419 2.141 1.00 12.38 N ATOM 949 CA ASN A 60 12.562 4.672 2.701 1.00 13.94 C ATOM 950 C ASN A 60 12.114 3.347 3.197 1.00 14.16 C ATOM 951 O ASN A 60 12.436 2.866 4.255 1.00 14.26 O ATOM 952 CB ASN A 60 13.371 5.485 3.759 1.00 19.23 C ATOM 953 CG ASN A 60 13.986 6.754 3.128 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.399 7.825 3.184 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.198 6.549 2.546 1.00 24.09 N ATOM 0 H ASN A 60 11.564 5.661 1.163 1.00 12.38 H new ATOM 0 HA ASN A 60 13.276 4.508 1.894 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.718 5.765 4.585 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.162 4.861 4.175 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.692 7.327 2.109 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.613 5.617 2.547 1.00 24.09 H new ATOM 962 N ILE A 61 11.279 2.743 2.417 1.00 11.08 N ATOM 963 CA ILE A 61 10.686 1.407 2.761 1.00 11.78 C ATOM 964 C ILE A 61 11.562 0.253 2.379 1.00 13.74 C ATOM 965 O ILE A 61 12.116 0.186 1.267 1.00 14.60 O ATOM 966 CB ILE A 61 9.267 1.243 2.209 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.293 2.348 2.790 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.734 -0.212 2.434 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.920 2.441 2.178 1.00 11.42 C ATOM 0 H ILE A 61 10.965 3.122 1.524 1.00 11.08 H new ATOM 0 HA ILE A 61 10.618 1.391 3.849 1.00 11.78 H new ATOM 0 HB ILE A 61 9.303 1.397 1.131 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.176 2.168 3.859 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.778 3.318 2.682 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.725 -0.296 2.031 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.388 -0.921 1.926 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.718 -0.433 3.501 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.357 3.236 2.667 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.010 2.661 1.114 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.398 1.493 2.310 1.00 11.42 H new ATOM 981 N GLN A 62 11.773 -0.683 3.328 1.00 13.97 N ATOM 982 CA GLN A 62 12.708 -1.784 3.141 1.00 15.52 C ATOM 983 C GLN A 62 12.024 -3.103 3.020 1.00 13.94 C ATOM 984 O GLN A 62 10.822 -3.242 3.403 1.00 12.15 O ATOM 985 CB GLN A 62 13.696 -1.821 4.284 1.00 19.53 C ATOM 986 CG GLN A 62 14.615 -0.626 4.085 1.00 26.38 C ATOM 987 CD GLN A 62 15.811 -0.684 5.035 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.179 -1.773 5.492 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.406 0.474 5.306 1.00 32.71 N ATOM 0 H GLN A 62 11.300 -0.687 4.232 1.00 13.97 H new ATOM 0 HA GLN A 62 13.231 -1.605 2.201 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.184 -1.763 5.244 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.262 -2.753 4.280 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.967 -0.603 3.054 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.058 0.296 4.253 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.052 1.338 4.895 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.217 0.498 5.924 1.00 32.71 H new ATOM 998 N LYS A 63 12.777 -4.088 2.570 1.00 11.73 N ATOM 999 CA LYS A 63 12.177 -5.421 2.314 1.00 11.97 C ATOM 1000 C LYS A 63 11.552 -6.082 3.460 1.00 10.41 C ATOM 1001 O LYS A 63 12.005 -5.894 4.593 1.00 9.59 O ATOM 1002 CB LYS A 63 13.326 -6.413 1.886 1.00 13.73 C ATOM 1003 CG LYS A 63 14.389 -6.666 2.982 1.00 16.98 C ATOM 1004 CD LYS A 63 15.810 -6.860 2.372 1.00 20.19 C ATOM 1005 CE LYS A 63 16.818 -7.008 3.441 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.413 -8.115 4.346 1.00 25.97 N ATOM 0 H LYS A 63 13.775 -4.015 2.373 1.00 11.73 H new ATOM 0 HA LYS A 63 11.408 -5.222 1.568 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.880 -7.366 1.602 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.822 -6.016 1.000 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.403 -5.826 3.677 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.116 -7.551 3.557 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.819 -7.742 1.731 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.062 -6.006 1.743 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.796 -7.216 3.008 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.909 -6.078 4.003 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.238 -8.438 4.890 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 15.678 -7.778 5.000 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.039 -8.905 3.782 1.00 25.97 H new ATOM 1020 N GLU A 64 10.445 -6.806 3.168 1.00 10.04 N ATOM 1021 CA GLU A 64 9.608 -7.609 4.049 1.00 10.94 C ATOM 1022 C GLU A 64 8.826 -6.787 5.091 1.00 9.74 C ATOM 1023 O GLU A 64 8.372 -7.268 6.146 1.00 9.42 O ATOM 1024 CB GLU A 64 10.331 -8.804 4.712 1.00 18.31 C ATOM 1025 CG GLU A 64 10.740 -9.846 3.659 1.00 24.16 C ATOM 1026 CD GLU A 64 11.833 -10.796 4.099 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.260 -10.727 5.279 1.00 31.72 O ATOM 1028 OE2 GLU A 64 12.213 -11.700 3.320 1.00 32.61 O ATOM 0 H GLU A 64 10.094 -6.835 2.211 1.00 10.04 H new ATOM 0 HA GLU A 64 8.876 -8.036 3.364 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.215 -8.451 5.243 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.677 -9.265 5.452 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.861 -10.428 3.384 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.071 -9.324 2.761 1.00 24.16 H new ATOM 1035 N SER A 65 8.645 -5.454 4.778 1.00 6.85 N ATOM 1036 CA SER A 65 7.802 -4.645 5.601 1.00 6.90 C ATOM 1037 C SER A 65 6.307 -4.992 5.446 1.00 4.72 C ATOM 1038 O SER A 65 5.792 -5.382 4.427 1.00 3.91 O ATOM 1039 CB SER A 65 7.880 -3.149 5.153 1.00 7.28 C ATOM 1040 OG SER A 65 9.123 -2.600 5.505 1.00 10.56 O ATOM 0 H SER A 65 9.072 -4.975 3.985 1.00 6.85 H new ATOM 0 HA SER A 65 8.150 -4.820 6.619 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.735 -3.077 4.075 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.077 -2.580 5.621 1.00 7.28 H new ATOM 0 HG SER A 65 9.777 -2.792 4.801 1.00 10.56 H new ATOM 1046 N THR A 66 5.583 -4.710 6.558 1.00 4.48 N ATOM 1047 CA THR A 66 4.200 -4.991 6.657 1.00 3.80 C ATOM 1048 C THR A 66 3.435 -3.675 6.480 1.00 4.60 C ATOM 1049 O THR A 66 3.645 -2.791 7.312 1.00 5.33 O ATOM 1050 CB THR A 66 3.781 -5.572 8.016 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.470 -6.793 8.242 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.255 -5.892 8.083 1.00 3.40 C ATOM 0 H THR A 66 5.979 -4.280 7.394 1.00 4.48 H new ATOM 0 HA THR A 66 3.975 -5.734 5.892 1.00 3.80 H new ATOM 0 HB THR A 66 4.022 -4.818 8.765 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.204 -7.163 9.110 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.012 -6.300 9.064 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.684 -4.978 7.918 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.002 -6.622 7.314 1.00 3.40 H new ATOM 1060 N LEU A 67 2.629 -3.381 5.463 1.00 4.17 N ATOM 1061 CA LEU A 67 2.048 -2.107 5.270 1.00 3.85 C ATOM 1062 C LEU A 67 0.590 -2.401 5.511 1.00 3.80 C ATOM 1063 O LEU A 67 -0.019 -3.350 4.994 1.00 5.54 O ATOM 1064 CB LEU A 67 2.227 -1.477 3.873 1.00 7.18 C ATOM 1065 CG LEU A 67 3.624 -1.031 3.568 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.638 -2.182 3.456 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.616 -0.207 2.290 1.00 11.66 C ATOM 0 H LEU A 67 2.371 -4.058 4.745 1.00 4.17 H new ATOM 0 HA LEU A 67 2.519 -1.371 5.921 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.917 -2.201 3.119 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.558 -0.621 3.786 1.00 7.18 H new ATOM 0 HG LEU A 67 3.956 -0.430 4.414 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.625 -1.777 3.234 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.674 -2.728 4.398 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.335 -2.858 2.656 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.630 0.121 2.062 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.238 -0.814 1.468 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.974 0.664 2.423 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.068 -1.442 6.174 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.406 -1.623 6.710 1.00 4.17 C ATOM 1081 C HIS A 68 -2.461 -1.012 5.810 1.00 5.32 C ATOM 1082 O HIS A 68 -2.465 0.223 5.595 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.484 -0.900 8.083 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.496 -1.472 9.029 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.808 -1.003 9.110 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.555 -2.558 9.814 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.444 -1.792 9.988 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.688 -2.769 10.417 1.00 16.30 N ATOM 0 H HIS A 68 0.323 -0.516 6.350 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.594 -2.693 6.795 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.295 0.165 7.951 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.489 -0.997 8.495 1.00 5.57 H new ATOM 0 HD1 HIS A 68 1.205 -0.213 8.601 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -1.430 -3.175 9.958 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.465 -1.638 10.305 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.398 -1.831 5.303 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.337 -1.412 4.302 1.00 3.97 C ATOM 1098 C LEU A 69 -5.548 -0.742 4.903 1.00 5.07 C ATOM 1099 O LEU A 69 -6.333 -1.360 5.583 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.631 -2.553 3.269 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.801 -2.393 2.210 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.596 -1.262 1.226 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.914 -3.802 1.491 1.00 9.96 C ATOM 0 H LEU A 69 -3.509 -2.803 5.591 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.878 -0.624 3.705 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.712 -2.727 2.710 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.834 -3.460 3.839 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.727 -2.114 2.713 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.440 -1.221 0.537 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.523 -0.318 1.766 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.677 -1.431 0.664 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.706 -3.766 0.743 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.967 -4.040 1.006 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.147 -4.570 2.229 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.717 0.597 4.697 1.00 4.29 N ATOM 1116 CA VAL A 70 -6.832 1.290 5.275 1.00 6.26 C ATOM 1117 C VAL A 70 -7.785 1.629 4.182 1.00 9.22 C ATOM 1118 O VAL A 70 -7.664 2.540 3.399 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.435 2.524 6.064 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -7.671 3.158 6.577 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.569 2.036 7.242 1.00 8.54 C ATOM 0 H VAL A 70 -5.091 1.179 4.141 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.303 0.631 6.004 1.00 6.26 H new ATOM 0 HB VAL A 70 -5.886 3.244 5.457 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.412 4.049 7.149 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.311 3.437 5.740 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.201 2.455 7.220 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.257 2.890 7.843 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.149 1.350 7.860 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.688 1.522 6.858 1.00 8.54 H new ATOM 1131 N LEU A 71 -8.876 0.874 4.106 1.00 12.71 N ATOM 1132 CA LEU A 71 -9.893 1.066 3.150 1.00 16.06 C ATOM 1133 C LEU A 71 -10.515 2.495 3.256 1.00 18.09 C ATOM 1134 O LEU A 71 -10.809 3.057 4.331 1.00 19.26 O ATOM 1135 CB LEU A 71 -10.947 -0.099 2.990 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.369 -1.506 2.732 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.453 -2.580 2.687 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.487 -1.489 1.477 1.00 19.57 C ATOM 0 H LEU A 71 -9.056 0.095 4.740 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.381 1.005 2.190 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.555 -0.138 3.894 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.615 0.154 2.167 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.736 -1.779 3.577 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.995 -3.552 2.503 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.982 -2.603 3.640 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.157 -2.353 1.886 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.083 -2.486 1.303 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.083 -1.183 0.617 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.667 -0.785 1.618 1.00 19.57 H new