USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 629 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 55 THR OG1 : rot 139:sc= 1.58 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.785 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 -109:sc= -0.284 (180deg=-1.39) USER MOD Single : A 1 MET N :NH3+ -155:sc= 2.42 (180deg=2.25) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 154:sc= 1.25 (180deg=0.223!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 1.25 K(o=1.2,f=-0.82) USER MOD Single : A 27 LYS NZ :NH3+ -173:sc= 1.28 (180deg=1.24) USER MOD Single : A 29 LYS NZ :NH3+ -179:sc= 1.25 (180deg=1.25) USER MOD Single : A 31 GLN : amide:sc= -1.1 K(o=-1.1,f=-2) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc=-0.00568 K(o=-0.0057,f=-1.5!) USER MOD Single : A 41 GLN : amide:sc= 0.36 K(o=0.36,f=-3.9!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0141 X(o=-0.014,f=-0.031) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.0706 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000316) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.544 K(o=0.54,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.543 -6.799 -5.172 1.00 9.67 N ATOM 2 CA MET A 1 11.434 -6.835 -3.726 1.00 10.38 C ATOM 3 C MET A 1 10.075 -7.304 -3.231 1.00 9.62 C ATOM 4 O MET A 1 9.081 -6.749 -3.679 1.00 9.62 O ATOM 5 CB MET A 1 11.611 -5.367 -3.167 1.00 13.77 C ATOM 6 CG MET A 1 11.861 -5.267 -1.639 1.00 16.29 C ATOM 7 SD MET A 1 12.269 -3.685 -0.899 1.00 17.17 S ATOM 8 CE MET A 1 10.454 -3.232 -1.051 1.00 16.11 C ATOM 0 H1 MET A 1 12.542 -6.893 -5.447 1.00 9.67 H new ATOM 0 H2 MET A 1 10.996 -7.583 -5.581 1.00 9.67 H new ATOM 0 H3 MET A 1 11.170 -5.895 -5.526 1.00 9.67 H new ATOM 0 HA MET A 1 12.198 -7.532 -3.383 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.445 -4.896 -3.687 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.718 -4.792 -3.411 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.966 -5.638 -1.139 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.670 -5.956 -1.397 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.331 -2.476 -1.826 1.00 16.11 H new ATOM 0 HE2 MET A 1 9.878 -4.119 -1.315 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.096 -2.838 -0.100 1.00 16.11 H new ATOM 20 N GLN A 2 9.991 -8.171 -2.245 1.00 9.27 N ATOM 21 CA GLN A 2 8.800 -8.760 -1.712 1.00 9.07 C ATOM 22 C GLN A 2 8.393 -7.877 -0.511 1.00 8.72 C ATOM 23 O GLN A 2 9.220 -7.433 0.320 1.00 8.22 O ATOM 24 CB GLN A 2 9.021 -10.165 -1.279 1.00 14.46 C ATOM 25 CG GLN A 2 7.829 -10.833 -0.529 1.00 17.01 C ATOM 26 CD GLN A 2 7.970 -12.342 -0.592 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.528 -12.882 0.389 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.780 -13.032 -1.763 1.00 19.49 N ATOM 0 H GLN A 2 10.826 -8.503 -1.763 1.00 9.27 H new ATOM 0 HA GLN A 2 8.018 -8.801 -2.471 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.256 -10.765 -2.158 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.897 -10.193 -0.631 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.809 -10.503 0.510 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.885 -10.527 -0.980 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.323 -12.578 -2.554 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.095 -13.999 -1.842 1.00 19.49 H new ATOM 37 N ILE A 3 7.040 -7.653 -0.368 1.00 5.87 N ATOM 38 CA ILE A 3 6.381 -6.933 0.765 1.00 5.07 C ATOM 39 C ILE A 3 5.030 -7.504 0.954 1.00 4.01 C ATOM 40 O ILE A 3 4.597 -8.362 0.227 1.00 4.61 O ATOM 41 CB ILE A 3 6.158 -5.479 0.449 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.434 -5.093 -0.900 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.424 -4.707 0.700 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.731 -3.774 -0.745 1.00 10.83 C ATOM 0 H ILE A 3 6.367 -7.981 -1.061 1.00 5.87 H new ATOM 0 HA ILE A 3 7.026 -7.036 1.637 1.00 5.07 H new ATOM 0 HB ILE A 3 5.380 -5.174 1.148 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.162 -5.034 -1.709 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.717 -5.867 -1.172 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.260 -3.654 0.470 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.711 -4.810 1.746 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.220 -5.097 0.065 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.234 -3.515 -1.680 1.00 10.83 H new ATOM 0 HD12 ILE A 3 3.990 -3.848 0.051 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.458 -3.002 -0.494 1.00 10.83 H new ATOM 56 N PHE A 4 4.401 -7.168 2.086 1.00 4.55 N ATOM 57 CA PHE A 4 3.222 -7.847 2.590 1.00 4.68 C ATOM 58 C PHE A 4 2.132 -6.666 2.819 1.00 5.30 C ATOM 59 O PHE A 4 2.540 -5.580 3.254 1.00 5.58 O ATOM 60 CB PHE A 4 3.460 -8.547 3.990 1.00 4.83 C ATOM 61 CG PHE A 4 4.583 -9.471 4.008 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.988 -10.313 2.878 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.355 -9.456 5.147 1.00 8.34 C ATOM 64 CE1 PHE A 4 6.065 -11.185 3.062 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.420 -10.394 5.265 1.00 10.61 C ATOM 66 CZ PHE A 4 6.745 -11.308 4.271 1.00 8.90 C ATOM 0 H PHE A 4 4.710 -6.400 2.682 1.00 4.55 H new ATOM 0 HA PHE A 4 2.921 -8.626 1.889 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.623 -7.778 4.745 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.556 -9.085 4.273 1.00 4.83 H new ATOM 0 HD1 PHE A 4 4.470 -10.261 1.932 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.157 -8.746 5.937 1.00 8.34 H new ATOM 0 HE1 PHE A 4 6.385 -11.792 2.228 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.004 -10.395 6.173 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.488 -12.076 4.428 1.00 8.90 H new ATOM 76 N VAL A 5 0.834 -6.897 2.644 1.00 4.44 N ATOM 77 CA VAL A 5 -0.230 -5.883 2.854 1.00 3.87 C ATOM 78 C VAL A 5 -1.239 -6.592 3.827 1.00 4.93 C ATOM 79 O VAL A 5 -1.547 -7.766 3.546 1.00 6.84 O ATOM 80 CB VAL A 5 -0.867 -5.454 1.522 1.00 2.99 C ATOM 81 CG1 VAL A 5 -2.294 -4.917 1.737 1.00 5.28 C ATOM 82 CG2 VAL A 5 -0.009 -4.343 0.869 1.00 9.13 C ATOM 0 H VAL A 5 0.472 -7.803 2.348 1.00 4.44 H new ATOM 0 HA VAL A 5 0.141 -4.950 3.278 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.913 -6.329 0.873 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.720 -4.621 0.778 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.912 -5.696 2.184 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -2.262 -4.054 2.401 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.462 -4.041 -0.075 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.044 -3.484 1.538 1.00 9.13 H new ATOM 0 HG23 VAL A 5 0.996 -4.721 0.684 1.00 9.13 H new ATOM 92 N LYS A 6 -1.660 -5.935 4.935 1.00 6.04 N ATOM 93 CA LYS A 6 -2.444 -6.483 5.982 1.00 6.12 C ATOM 94 C LYS A 6 -3.765 -5.725 6.109 1.00 6.57 C ATOM 95 O LYS A 6 -3.838 -4.527 6.121 1.00 5.76 O ATOM 96 CB LYS A 6 -1.647 -6.409 7.385 1.00 7.45 C ATOM 97 CG LYS A 6 -2.305 -7.170 8.434 1.00 11.12 C ATOM 98 CD LYS A 6 -1.364 -7.607 9.524 1.00 14.54 C ATOM 99 CE LYS A 6 -2.174 -8.268 10.643 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.300 -8.781 11.686 1.00 20.55 N ATOM 0 H LYS A 6 -1.429 -4.955 5.097 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.648 -7.526 5.742 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.634 -6.787 7.245 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.558 -5.368 7.695 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -3.100 -6.565 8.869 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.777 -8.049 7.995 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.627 -8.306 9.128 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.813 -6.750 9.913 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -2.869 -7.545 11.069 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -2.772 -9.081 10.232 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -1.873 -9.224 12.432 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.653 -9.488 11.281 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.748 -7.999 12.092 1.00 20.55 H new ATOM 114 N THR A 7 -4.863 -6.495 5.947 1.00 7.41 N ATOM 115 CA THR A 7 -6.169 -5.866 5.943 1.00 7.48 C ATOM 116 C THR A 7 -6.633 -5.391 7.281 1.00 8.75 C ATOM 117 O THR A 7 -5.927 -5.456 8.272 1.00 8.58 O ATOM 118 CB THR A 7 -7.264 -6.731 5.153 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.810 -7.702 5.967 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.646 -7.282 3.836 1.00 9.17 C ATOM 0 H THR A 7 -4.860 -7.507 5.824 1.00 7.41 H new ATOM 0 HA THR A 7 -6.039 -4.946 5.373 1.00 7.48 H new ATOM 0 HB THR A 7 -8.102 -6.096 4.864 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.476 -8.215 5.463 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.393 -7.869 3.302 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.322 -6.450 3.210 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.789 -7.913 4.072 1.00 9.17 H new ATOM 128 N LEU A 8 -7.741 -4.651 7.276 1.00 9.84 N ATOM 129 CA LEU A 8 -8.371 -4.245 8.520 1.00 14.15 C ATOM 130 C LEU A 8 -8.834 -5.372 9.416 1.00 17.37 C ATOM 131 O LEU A 8 -8.739 -5.220 10.578 1.00 17.01 O ATOM 132 CB LEU A 8 -9.595 -3.408 8.230 1.00 16.63 C ATOM 133 CG LEU A 8 -9.339 -1.984 7.723 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.722 -1.301 7.342 1.00 19.31 C ATOM 135 CD2 LEU A 8 -8.727 -1.187 8.893 1.00 18.59 C ATOM 0 H LEU A 8 -8.213 -4.326 6.432 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.585 -3.703 9.045 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.200 -3.931 7.489 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.190 -3.345 9.141 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.683 -2.002 6.853 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.541 -0.288 6.981 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -11.212 -1.882 6.561 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.364 -1.263 8.222 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -8.529 -0.164 8.572 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.425 -1.176 9.730 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.794 -1.657 9.204 1.00 18.59 H new ATOM 147 N THR A 9 -9.239 -6.515 8.863 1.00 18.33 N ATOM 148 CA THR A 9 -9.490 -7.703 9.574 1.00 19.24 C ATOM 149 C THR A 9 -8.211 -8.527 9.726 1.00 19.48 C ATOM 150 O THR A 9 -8.165 -9.485 10.491 1.00 23.14 O ATOM 151 CB THR A 9 -10.544 -8.611 9.018 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.335 -8.844 7.628 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.916 -7.916 9.215 1.00 19.70 C ATOM 0 H THR A 9 -9.399 -6.610 7.860 1.00 18.33 H new ATOM 0 HA THR A 9 -9.872 -7.335 10.526 1.00 19.24 H new ATOM 0 HB THR A 9 -10.507 -9.571 9.533 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.034 -9.441 7.288 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.707 -8.553 8.819 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.087 -7.743 10.277 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.920 -6.963 8.687 1.00 19.70 H new ATOM 161 N GLY A 10 -7.102 -8.128 9.174 1.00 19.43 N ATOM 162 CA GLY A 10 -5.778 -8.703 9.476 1.00 18.74 C ATOM 163 C GLY A 10 -5.318 -9.789 8.567 1.00 17.62 C ATOM 164 O GLY A 10 -4.325 -10.465 8.815 1.00 19.74 O ATOM 0 H GLY A 10 -7.068 -7.378 8.483 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.041 -7.900 9.453 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -5.796 -9.091 10.494 1.00 18.74 H new ATOM 168 N LYS A 11 -5.976 -10.100 7.394 1.00 13.56 N ATOM 169 CA LYS A 11 -5.429 -10.945 6.378 1.00 11.91 C ATOM 170 C LYS A 11 -4.189 -10.351 5.685 1.00 10.18 C ATOM 171 O LYS A 11 -4.208 -9.209 5.269 1.00 9.10 O ATOM 172 CB LYS A 11 -6.493 -11.109 5.281 1.00 13.43 C ATOM 173 CG LYS A 11 -6.178 -12.242 4.251 1.00 16.69 C ATOM 174 CD LYS A 11 -7.344 -12.552 3.361 1.00 17.92 C ATOM 175 CE LYS A 11 -7.335 -11.572 2.236 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.475 -11.748 1.365 1.00 21.93 N ATOM 0 H LYS A 11 -6.906 -9.745 7.170 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.140 -11.877 6.864 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.455 -11.317 5.751 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.597 -10.165 4.746 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.327 -11.945 3.638 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.885 -13.144 4.787 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.273 -13.571 2.980 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -8.278 -12.484 3.919 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -7.336 -10.558 2.636 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.416 -11.687 1.661 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.692 -10.848 0.891 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.258 -12.472 0.650 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -9.297 -12.051 1.926 1.00 21.93 H new ATOM 190 N THR A 12 -3.086 -11.093 5.553 1.00 9.63 N ATOM 191 CA THR A 12 -1.975 -10.626 4.787 1.00 9.85 C ATOM 192 C THR A 12 -2.141 -11.127 3.326 1.00 11.66 C ATOM 193 O THR A 12 -2.564 -12.224 2.965 1.00 12.33 O ATOM 194 CB THR A 12 -0.595 -11.097 5.368 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.370 -12.507 5.312 1.00 10.91 O ATOM 196 CG2 THR A 12 -0.506 -10.608 6.805 1.00 9.63 C ATOM 0 H THR A 12 -2.958 -12.014 5.973 1.00 9.63 H new ATOM 0 HA THR A 12 -1.968 -9.537 4.826 1.00 9.85 H new ATOM 0 HB THR A 12 0.184 -10.668 4.738 1.00 10.85 H new ATOM 0 HG1 THR A 12 0.510 -12.713 5.691 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.445 -10.920 7.237 1.00 9.63 H new ATOM 0 HG22 THR A 12 -0.573 -9.520 6.824 1.00 9.63 H new ATOM 0 HG23 THR A 12 -1.325 -11.032 7.385 1.00 9.63 H new ATOM 204 N ILE A 13 -1.646 -10.277 2.395 1.00 10.42 N ATOM 205 CA ILE A 13 -1.374 -10.770 1.092 1.00 11.84 C ATOM 206 C ILE A 13 0.060 -10.392 0.807 1.00 10.55 C ATOM 207 O ILE A 13 0.593 -9.471 1.456 1.00 11.92 O ATOM 208 CB ILE A 13 -2.232 -10.213 0.016 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.291 -8.667 0.082 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.594 -10.833 0.182 1.00 17.08 C ATOM 211 CD1 ILE A 13 -2.904 -7.865 -1.148 1.00 16.46 C ATOM 0 H ILE A 13 -1.444 -9.289 2.545 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.572 -11.842 1.087 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.824 -10.450 -0.967 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.864 -8.397 0.969 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.275 -8.305 0.237 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.263 -10.453 -0.590 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.514 -11.916 0.092 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.992 -10.579 1.165 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -2.869 -6.796 -0.939 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.324 -8.078 -2.046 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -3.939 -8.171 -1.303 1.00 16.46 H new ATOM 223 N THR A 14 0.707 -11.033 -0.168 1.00 9.39 N ATOM 224 CA THR A 14 2.141 -10.879 -0.520 1.00 9.63 C ATOM 225 C THR A 14 2.347 -10.314 -1.880 1.00 11.20 C ATOM 226 O THR A 14 1.828 -10.825 -2.829 1.00 11.63 O ATOM 227 CB THR A 14 2.919 -12.162 -0.408 1.00 10.38 C ATOM 228 OG1 THR A 14 2.801 -12.690 0.905 1.00 16.30 O ATOM 229 CG2 THR A 14 4.485 -12.025 -0.707 1.00 11.66 C ATOM 0 H THR A 14 0.233 -11.708 -0.769 1.00 9.39 H new ATOM 0 HA THR A 14 2.521 -10.173 0.218 1.00 9.63 H new ATOM 0 HB THR A 14 2.485 -12.811 -1.168 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.309 -13.526 0.968 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.962 -12.999 -0.602 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.631 -11.657 -1.723 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.930 -11.325 -0.000 1.00 11.66 H new ATOM 237 N LEU A 15 3.064 -9.234 -2.085 1.00 8.29 N ATOM 238 CA LEU A 15 3.238 -8.611 -3.412 1.00 9.03 C ATOM 239 C LEU A 15 4.715 -8.390 -3.627 1.00 8.59 C ATOM 240 O LEU A 15 5.504 -8.384 -2.680 1.00 7.79 O ATOM 241 CB LEU A 15 2.466 -7.227 -3.402 1.00 11.08 C ATOM 242 CG LEU A 15 0.977 -7.236 -3.094 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.456 -5.847 -2.721 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.217 -7.823 -4.268 1.00 15.27 C ATOM 0 H LEU A 15 3.556 -8.744 -1.338 1.00 8.29 H new ATOM 0 HA LEU A 15 2.846 -9.238 -4.212 1.00 9.03 H new ATOM 0 HB2 LEU A 15 2.953 -6.580 -2.672 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.601 -6.764 -4.379 1.00 11.08 H new ATOM 0 HG LEU A 15 0.813 -7.865 -2.219 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.612 -5.904 -2.510 1.00 15.88 H new ATOM 0 HD12 LEU A 15 0.982 -5.486 -1.837 1.00 15.88 H new ATOM 0 HD13 LEU A 15 0.626 -5.160 -3.550 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.850 -7.828 -4.045 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.399 -7.220 -5.157 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.555 -8.844 -4.447 1.00 15.27 H new ATOM 256 N GLU A 16 5.037 -8.174 -4.935 1.00 11.04 N ATOM 257 CA GLU A 16 6.352 -8.041 -5.503 1.00 11.50 C ATOM 258 C GLU A 16 6.359 -6.685 -6.162 1.00 10.13 C ATOM 259 O GLU A 16 5.377 -6.326 -6.828 1.00 9.83 O ATOM 260 CB GLU A 16 6.615 -9.161 -6.577 1.00 17.22 C ATOM 261 CG GLU A 16 7.963 -9.117 -7.327 1.00 23.33 C ATOM 262 CD GLU A 16 9.159 -9.519 -6.425 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.209 -10.619 -5.781 1.00 28.90 O ATOM 264 OE2 GLU A 16 10.087 -8.666 -6.391 1.00 28.86 O ATOM 0 H GLU A 16 4.311 -8.087 -5.646 1.00 11.04 H new ATOM 0 HA GLU A 16 7.129 -8.141 -4.745 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.535 -10.129 -6.082 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.815 -9.114 -7.316 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.919 -9.787 -8.186 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.127 -8.111 -7.715 1.00 23.33 H new ATOM 271 N VAL A 17 7.419 -5.945 -5.977 1.00 8.99 N ATOM 272 CA VAL A 17 7.478 -4.553 -6.351 1.00 8.85 C ATOM 273 C VAL A 17 8.922 -4.231 -6.498 1.00 8.04 C ATOM 274 O VAL A 17 9.818 -4.907 -6.013 1.00 8.99 O ATOM 275 CB VAL A 17 6.882 -3.612 -5.284 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.361 -3.603 -5.153 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.398 -3.939 -3.853 1.00 10.54 C ATOM 0 H VAL A 17 8.280 -6.295 -5.556 1.00 8.99 H new ATOM 0 HA VAL A 17 6.897 -4.405 -7.261 1.00 8.85 H new ATOM 0 HB VAL A 17 7.213 -2.643 -5.657 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.067 -2.903 -4.371 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.916 -3.297 -6.100 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.012 -4.603 -4.895 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.950 -3.249 -3.138 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.124 -4.961 -3.592 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.483 -3.836 -3.825 1.00 10.54 H new ATOM 287 N GLU A 18 9.253 -3.135 -7.204 1.00 7.29 N ATOM 288 CA GLU A 18 10.593 -2.619 -7.305 1.00 7.08 C ATOM 289 C GLU A 18 10.733 -1.317 -6.441 1.00 6.45 C ATOM 290 O GLU A 18 9.771 -0.522 -6.443 1.00 5.28 O ATOM 291 CB GLU A 18 11.143 -2.389 -8.787 1.00 10.28 C ATOM 292 CG GLU A 18 10.409 -1.257 -9.524 1.00 12.65 C ATOM 293 CD GLU A 18 10.846 -1.430 -11.008 1.00 14.15 C ATOM 294 OE1 GLU A 18 11.830 -2.103 -11.362 1.00 14.33 O ATOM 295 OE2 GLU A 18 10.193 -0.730 -11.827 1.00 18.17 O ATOM 0 H GLU A 18 8.569 -2.586 -7.724 1.00 7.29 H new ATOM 0 HA GLU A 18 11.232 -3.409 -6.911 1.00 7.08 H new ATOM 0 HB2 GLU A 18 12.207 -2.158 -8.743 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.041 -3.313 -9.356 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.328 -1.344 -9.413 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.692 -0.279 -9.136 1.00 12.65 H new ATOM 302 N PRO A 19 11.812 -1.056 -5.678 1.00 7.24 N ATOM 303 CA PRO A 19 11.947 0.094 -4.780 1.00 7.07 C ATOM 304 C PRO A 19 11.704 1.490 -5.406 1.00 6.65 C ATOM 305 O PRO A 19 11.286 2.388 -4.636 1.00 6.37 O ATOM 306 CB PRO A 19 13.380 -0.020 -4.289 1.00 7.61 C ATOM 307 CG PRO A 19 13.613 -1.523 -4.248 1.00 8.16 C ATOM 308 CD PRO A 19 12.836 -2.110 -5.433 1.00 7.49 C ATOM 0 HA PRO A 19 11.177 0.048 -4.010 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.078 0.478 -4.963 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.507 0.434 -3.306 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.675 -1.754 -4.326 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.263 -1.945 -3.306 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.475 -2.270 -6.302 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.383 -3.071 -5.189 1.00 7.49 H new ATOM 316 N SER A 20 11.918 1.689 -6.762 1.00 6.80 N ATOM 317 CA SER A 20 11.744 2.994 -7.390 1.00 6.28 C ATOM 318 C SER A 20 10.321 3.231 -7.792 1.00 8.45 C ATOM 319 O SER A 20 9.965 4.207 -8.486 1.00 7.26 O ATOM 320 CB SER A 20 12.668 3.376 -8.558 1.00 8.57 C ATOM 321 OG SER A 20 12.601 2.453 -9.620 1.00 11.13 O ATOM 0 H SER A 20 12.207 0.951 -7.404 1.00 6.80 H new ATOM 0 HA SER A 20 12.055 3.655 -6.581 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.397 4.366 -8.923 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.695 3.439 -8.199 1.00 8.57 H new ATOM 0 HG SER A 20 13.203 2.738 -10.339 1.00 11.13 H new ATOM 327 N ASP A 21 9.421 2.304 -7.376 1.00 7.50 N ATOM 328 CA ASP A 21 8.107 2.310 -7.898 1.00 7.70 C ATOM 329 C ASP A 21 7.263 3.005 -6.846 1.00 7.08 C ATOM 330 O ASP A 21 7.700 3.145 -5.704 1.00 8.11 O ATOM 331 CB ASP A 21 7.528 0.952 -8.127 1.00 11.00 C ATOM 332 CG ASP A 21 6.349 0.955 -9.083 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.099 1.944 -9.805 1.00 18.03 O ATOM 334 OD2 ASP A 21 5.534 -0.005 -9.074 1.00 14.36 O ATOM 0 H ASP A 21 9.613 1.572 -6.692 1.00 7.50 H new ATOM 0 HA ASP A 21 8.123 2.798 -8.873 1.00 7.70 H new ATOM 0 HB2 ASP A 21 8.304 0.295 -8.520 1.00 11.00 H new ATOM 0 HB3 ASP A 21 7.211 0.534 -7.172 1.00 11.00 H new ATOM 339 N THR A 22 6.150 3.570 -7.282 1.00 5.37 N ATOM 340 CA THR A 22 5.409 4.547 -6.445 1.00 6.01 C ATOM 341 C THR A 22 4.281 3.918 -5.626 1.00 8.01 C ATOM 342 O THR A 22 3.827 2.806 -5.864 1.00 8.11 O ATOM 343 CB THR A 22 4.899 5.757 -7.241 1.00 8.92 C ATOM 344 OG1 THR A 22 3.960 5.471 -8.325 1.00 10.22 O ATOM 345 CG2 THR A 22 6.119 6.508 -7.922 1.00 9.65 C ATOM 0 H THR A 22 5.731 3.385 -8.193 1.00 5.37 H new ATOM 0 HA THR A 22 6.151 4.913 -5.735 1.00 6.01 H new ATOM 0 HB THR A 22 4.370 6.344 -6.490 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.700 6.309 -8.762 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.750 7.365 -8.485 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.811 6.850 -7.152 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.635 5.826 -8.597 1.00 9.65 H new ATOM 353 N ILE A 23 3.781 4.617 -4.574 1.00 8.32 N ATOM 354 CA ILE A 23 2.731 4.250 -3.568 1.00 9.92 C ATOM 355 C ILE A 23 1.348 4.034 -4.270 1.00 10.01 C ATOM 356 O ILE A 23 0.616 3.152 -4.082 1.00 8.71 O ATOM 357 CB ILE A 23 2.692 5.291 -2.443 1.00 10.78 C ATOM 358 CG1 ILE A 23 4.034 5.252 -1.653 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.430 5.003 -1.572 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.468 3.817 -1.138 1.00 12.30 C ATOM 0 H ILE A 23 4.137 5.553 -4.383 1.00 8.32 H new ATOM 0 HA ILE A 23 2.984 3.298 -3.101 1.00 9.92 H new ATOM 0 HB ILE A 23 2.603 6.309 -2.823 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.825 5.647 -2.291 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.953 5.920 -0.795 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.374 5.729 -0.761 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.536 5.080 -2.190 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.497 3.998 -1.155 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.413 3.894 -0.601 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.702 3.423 -0.470 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.588 3.146 -1.989 1.00 12.30 H new ATOM 372 N GLU A 24 1.088 4.900 -5.237 1.00 9.54 N ATOM 373 CA GLU A 24 0.024 4.811 -6.208 1.00 11.81 C ATOM 374 C GLU A 24 0.031 3.503 -7.007 1.00 11.14 C ATOM 375 O GLU A 24 -0.982 2.814 -7.092 1.00 10.62 O ATOM 376 CB GLU A 24 0.063 6.065 -7.121 1.00 19.24 C ATOM 377 CG GLU A 24 -1.013 5.958 -8.197 1.00 27.76 C ATOM 378 CD GLU A 24 -1.030 7.236 -9.036 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.468 8.316 -8.522 1.00 36.51 O ATOM 380 OE2 GLU A 24 -0.614 7.230 -10.191 1.00 34.80 O ATOM 0 H GLU A 24 1.656 5.737 -5.367 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.923 4.791 -5.669 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.094 6.964 -6.525 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.045 6.158 -7.585 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.819 5.095 -8.834 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.988 5.801 -7.736 1.00 27.76 H new ATOM 387 N ASN A 25 1.204 3.011 -7.455 1.00 9.43 N ATOM 388 CA ASN A 25 1.275 1.638 -8.086 1.00 10.96 C ATOM 389 C ASN A 25 1.349 0.434 -7.113 1.00 9.68 C ATOM 390 O ASN A 25 1.456 -0.730 -7.456 1.00 9.33 O ATOM 391 CB ASN A 25 2.493 1.517 -8.973 1.00 16.78 C ATOM 392 CG ASN A 25 2.392 2.463 -10.187 1.00 22.31 C ATOM 393 OD1 ASN A 25 1.345 2.850 -10.619 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.683 2.864 -10.610 1.00 24.70 N ATOM 0 H ASN A 25 2.094 3.506 -7.404 1.00 9.43 H new ATOM 0 HA ASN A 25 0.329 1.579 -8.624 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.389 1.751 -8.399 1.00 16.78 H new ATOM 0 HB3 ASN A 25 2.595 0.488 -9.317 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.784 3.551 -11.357 1.00 24.70 H new ATOM 0 HD22 ASN A 25 4.511 2.466 -10.168 1.00 24.70 H new ATOM 401 N VAL A 26 1.351 0.727 -5.841 1.00 6.52 N ATOM 402 CA VAL A 26 1.094 -0.274 -4.780 1.00 5.53 C ATOM 403 C VAL A 26 -0.418 -0.511 -4.590 1.00 4.42 C ATOM 404 O VAL A 26 -0.882 -1.641 -4.465 1.00 3.40 O ATOM 405 CB VAL A 26 1.607 0.143 -3.381 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.334 -1.009 -2.350 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.087 0.289 -3.479 1.00 8.12 C ATOM 0 H VAL A 26 1.530 1.666 -5.485 1.00 6.52 H new ATOM 0 HA VAL A 26 1.626 -1.160 -5.128 1.00 5.53 H new ATOM 0 HB VAL A 26 1.113 1.061 -3.063 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.697 -0.711 -1.366 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.263 -1.204 -2.298 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.852 -1.913 -2.669 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.489 0.583 -2.509 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.527 -0.661 -3.781 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.329 1.052 -4.219 1.00 8.12 H new ATOM 417 N LYS A 27 -1.226 0.504 -4.854 1.00 2.64 N ATOM 418 CA LYS A 27 -2.653 0.372 -4.866 1.00 4.14 C ATOM 419 C LYS A 27 -3.179 -0.327 -6.080 1.00 5.58 C ATOM 420 O LYS A 27 -4.278 -0.892 -6.153 1.00 4.11 O ATOM 421 CB LYS A 27 -3.378 1.809 -4.917 1.00 3.97 C ATOM 422 CG LYS A 27 -3.143 2.596 -3.600 1.00 7.45 C ATOM 423 CD LYS A 27 -3.967 3.910 -3.543 1.00 9.02 C ATOM 424 CE LYS A 27 -3.157 5.215 -3.835 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.853 6.457 -3.352 1.00 15.47 N ATOM 0 H LYS A 27 -0.895 1.445 -5.066 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.864 -0.191 -3.957 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.997 2.383 -5.761 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.448 1.675 -5.079 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.409 1.966 -2.751 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -2.083 2.830 -3.504 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.784 3.840 -4.261 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.418 3.995 -2.554 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.179 5.144 -3.358 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.983 5.296 -4.908 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.331 7.296 -3.676 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.820 6.483 -3.733 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -3.890 6.452 -2.313 1.00 15.47 H new ATOM 439 N ALA A 28 -2.338 -0.393 -7.133 1.00 6.61 N ATOM 440 CA ALA A 28 -2.602 -1.089 -8.375 1.00 7.74 C ATOM 441 C ALA A 28 -2.502 -2.628 -8.154 1.00 9.17 C ATOM 442 O ALA A 28 -3.419 -3.364 -8.514 1.00 11.45 O ATOM 443 CB ALA A 28 -1.755 -0.586 -9.515 1.00 7.68 C ATOM 0 H ALA A 28 -1.424 0.061 -7.124 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.625 -0.870 -8.682 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -1.995 -1.143 -10.420 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -1.955 0.473 -9.677 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.701 -0.723 -9.273 1.00 7.68 H new ATOM 449 N LYS A 29 -1.411 -3.044 -7.436 1.00 8.96 N ATOM 450 CA LYS A 29 -1.165 -4.361 -6.859 1.00 7.90 C ATOM 451 C LYS A 29 -2.225 -4.902 -5.898 1.00 6.92 C ATOM 452 O LYS A 29 -2.708 -6.024 -6.056 1.00 6.87 O ATOM 453 CB LYS A 29 0.141 -4.310 -6.063 1.00 10.28 C ATOM 454 CG LYS A 29 1.348 -4.190 -6.939 1.00 14.94 C ATOM 455 CD LYS A 29 1.772 -5.525 -7.468 1.00 19.69 C ATOM 456 CE LYS A 29 2.520 -5.470 -8.796 1.00 22.63 C ATOM 457 NZ LYS A 29 3.837 -4.837 -8.622 1.00 24.98 N ATOM 0 H LYS A 29 -0.640 -2.405 -7.245 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.156 -5.028 -7.721 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.110 -3.464 -5.376 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.227 -5.211 -5.455 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.131 -3.519 -7.770 1.00 14.94 H new ATOM 0 HG3 LYS A 29 2.167 -3.744 -6.374 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.408 -6.010 -6.727 1.00 19.69 H new ATOM 0 HD3 LYS A 29 0.888 -6.151 -7.589 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.644 -6.478 -9.192 1.00 22.63 H new ATOM 0 HE3 LYS A 29 1.935 -4.911 -9.526 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.325 -4.793 -9.539 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 3.713 -3.874 -8.249 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.405 -5.396 -7.954 1.00 24.98 H new ATOM 471 N ILE A 30 -2.636 -4.168 -4.889 1.00 4.57 N ATOM 472 CA ILE A 30 -3.693 -4.625 -3.991 1.00 5.58 C ATOM 473 C ILE A 30 -5.001 -4.796 -4.801 1.00 7.26 C ATOM 474 O ILE A 30 -5.672 -5.853 -4.710 1.00 9.46 O ATOM 475 CB ILE A 30 -3.919 -3.578 -2.869 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.680 -3.467 -1.889 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.213 -3.834 -2.045 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.657 -2.261 -0.921 1.00 2.00 C ATOM 0 H ILE A 30 -2.258 -3.248 -4.662 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.404 -5.575 -3.542 1.00 5.58 H new ATOM 0 HB ILE A 30 -4.037 -2.630 -3.393 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.635 -4.380 -1.295 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.773 -3.435 -2.492 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.313 -3.067 -1.277 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -6.078 -3.800 -2.707 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.156 -4.815 -1.573 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.757 -2.304 -0.307 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.661 -1.334 -1.494 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.537 -2.294 -0.278 1.00 2.00 H new ATOM 490 N GLN A 31 -5.332 -3.919 -5.792 1.00 7.06 N ATOM 491 CA GLN A 31 -6.481 -4.127 -6.635 1.00 8.67 C ATOM 492 C GLN A 31 -6.437 -5.427 -7.379 1.00 10.90 C ATOM 493 O GLN A 31 -7.430 -6.142 -7.429 1.00 9.63 O ATOM 494 CB GLN A 31 -6.645 -2.925 -7.591 1.00 9.12 C ATOM 495 CG GLN A 31 -7.927 -2.996 -8.527 1.00 10.76 C ATOM 496 CD GLN A 31 -8.096 -1.780 -9.382 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.152 -1.138 -9.387 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.084 -1.370 -10.199 1.00 14.76 N ATOM 0 H GLN A 31 -4.803 -3.073 -6.003 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.358 -4.194 -5.991 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.693 -2.011 -6.999 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.757 -2.852 -8.218 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.855 -3.876 -9.167 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.815 -3.124 -7.908 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.202 -1.882 -10.214 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.209 -0.551 -10.795 1.00 14.76 H new ATOM 507 N ASP A 32 -5.241 -5.722 -7.971 1.00 10.93 N ATOM 508 CA ASP A 32 -5.005 -6.954 -8.712 1.00 14.01 C ATOM 509 C ASP A 32 -5.230 -8.273 -7.864 1.00 14.04 C ATOM 510 O ASP A 32 -5.838 -9.240 -8.362 1.00 13.39 O ATOM 511 CB ASP A 32 -3.514 -6.866 -9.266 1.00 18.01 C ATOM 512 CG ASP A 32 -3.365 -7.967 -10.319 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.123 -7.911 -11.349 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.514 -8.849 -10.077 1.00 25.17 O ATOM 0 H ASP A 32 -4.432 -5.102 -7.936 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.736 -7.033 -9.517 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.321 -5.886 -9.702 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.794 -7.003 -8.459 1.00 18.01 H new ATOM 519 N LYS A 33 -4.671 -8.274 -6.629 1.00 14.22 N ATOM 520 CA LYS A 33 -4.689 -9.413 -5.760 1.00 14.00 C ATOM 521 C LYS A 33 -6.076 -9.719 -5.201 1.00 12.37 C ATOM 522 O LYS A 33 -6.532 -10.858 -5.046 1.00 12.17 O ATOM 523 CB LYS A 33 -3.638 -9.212 -4.576 1.00 18.62 C ATOM 524 CG LYS A 33 -3.523 -10.370 -3.551 1.00 24.00 C ATOM 525 CD LYS A 33 -3.058 -11.684 -4.206 1.00 27.61 C ATOM 526 CE LYS A 33 -1.645 -11.658 -4.756 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.345 -12.950 -5.244 1.00 30.06 N ATOM 0 H LYS A 33 -4.198 -7.463 -6.231 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.404 -10.276 -6.361 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -2.655 -9.047 -5.017 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -3.902 -8.303 -4.036 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.821 -10.089 -2.766 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -4.490 -10.527 -3.073 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -3.131 -12.485 -3.471 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.743 -11.931 -5.017 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.559 -10.920 -5.553 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.938 -11.370 -3.978 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.379 -12.960 -5.628 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.417 -13.639 -4.469 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -2.019 -13.203 -5.995 1.00 30.06 H new ATOM 541 N GLU A 34 -6.796 -8.607 -4.823 1.00 10.11 N ATOM 542 CA GLU A 34 -8.025 -8.754 -3.996 1.00 10.07 C ATOM 543 C GLU A 34 -9.314 -8.192 -4.581 1.00 9.32 C ATOM 544 O GLU A 34 -10.391 -8.483 -4.018 1.00 11.61 O ATOM 545 CB GLU A 34 -7.871 -7.935 -2.649 1.00 14.77 C ATOM 546 CG GLU A 34 -6.921 -8.577 -1.639 1.00 18.75 C ATOM 547 CD GLU A 34 -7.506 -9.831 -1.068 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.457 -9.652 -0.303 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.042 -10.995 -1.365 1.00 25.19 O ATOM 0 H GLU A 34 -6.553 -7.647 -5.069 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.109 -9.836 -3.898 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.513 -6.933 -2.884 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.853 -7.823 -2.189 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.971 -8.803 -2.122 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.710 -7.872 -0.835 1.00 18.75 H new ATOM 556 N GLY A 35 -9.319 -7.394 -5.652 1.00 7.22 N ATOM 557 CA GLY A 35 -10.582 -6.823 -6.137 1.00 6.29 C ATOM 558 C GLY A 35 -10.967 -5.454 -5.558 1.00 6.93 C ATOM 559 O GLY A 35 -12.138 -5.037 -5.637 1.00 7.41 O ATOM 0 H GLY A 35 -8.491 -7.133 -6.187 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.525 -6.734 -7.222 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.384 -7.527 -5.917 1.00 6.29 H new ATOM 563 N ILE A 36 -9.997 -4.707 -4.960 1.00 5.86 N ATOM 564 CA ILE A 36 -10.270 -3.413 -4.337 1.00 6.07 C ATOM 565 C ILE A 36 -9.628 -2.231 -5.089 1.00 6.36 C ATOM 566 O ILE A 36 -8.465 -2.218 -5.231 1.00 6.18 O ATOM 567 CB ILE A 36 -9.664 -3.340 -2.899 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.907 -4.597 -1.958 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.165 -2.000 -2.165 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.942 -4.664 -0.822 1.00 9.49 C ATOM 0 H ILE A 36 -9.020 -4.995 -4.905 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.357 -3.335 -4.344 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.586 -3.334 -3.061 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.923 -4.559 -1.564 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.828 -5.509 -2.550 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.740 -1.954 -1.162 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.843 -1.130 -2.737 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.253 -2.007 -2.098 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.157 -5.543 -0.214 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.926 -4.731 -1.211 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.038 -3.767 -0.210 1.00 9.49 H new ATOM 582 N PRO A 37 -10.399 -1.294 -5.578 1.00 8.65 N ATOM 583 CA PRO A 37 -9.932 -0.144 -6.306 1.00 9.18 C ATOM 584 C PRO A 37 -8.988 0.839 -5.612 1.00 9.85 C ATOM 585 O PRO A 37 -9.315 1.046 -4.428 1.00 8.51 O ATOM 586 CB PRO A 37 -11.215 0.623 -6.635 1.00 11.42 C ATOM 587 CG PRO A 37 -12.204 -0.528 -6.962 1.00 9.27 C ATOM 588 CD PRO A 37 -11.835 -1.511 -5.880 1.00 8.33 C ATOM 0 HA PRO A 37 -9.329 -0.525 -7.130 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.556 1.227 -5.794 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.081 1.299 -7.480 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.245 -0.212 -6.900 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.054 -0.934 -7.962 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.445 -1.355 -4.991 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.010 -2.535 -6.211 1.00 8.33 H new ATOM 596 N PRO A 38 -7.970 1.464 -6.189 1.00 8.71 N ATOM 597 CA PRO A 38 -7.212 2.548 -5.495 1.00 9.08 C ATOM 598 C PRO A 38 -8.021 3.672 -4.838 1.00 9.28 C ATOM 599 O PRO A 38 -7.608 4.211 -3.821 1.00 6.50 O ATOM 600 CB PRO A 38 -6.299 3.017 -6.622 1.00 10.31 C ATOM 601 CG PRO A 38 -6.067 1.812 -7.566 1.00 10.81 C ATOM 602 CD PRO A 38 -7.470 1.146 -7.516 1.00 12.00 C ATOM 0 HA PRO A 38 -6.708 2.184 -4.600 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.754 3.846 -7.164 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.352 3.379 -6.222 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.790 2.121 -8.574 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.279 1.149 -7.208 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.125 1.540 -8.293 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.405 0.069 -7.669 1.00 12.00 H new ATOM 610 N ASP A 39 -9.186 4.087 -5.429 1.00 11.20 N ATOM 611 CA ASP A 39 -9.994 5.110 -4.898 1.00 14.96 C ATOM 612 C ASP A 39 -10.601 4.692 -3.589 1.00 13.99 C ATOM 613 O ASP A 39 -10.989 5.514 -2.775 1.00 13.75 O ATOM 614 CB ASP A 39 -11.139 5.534 -5.798 1.00 24.16 C ATOM 615 CG ASP A 39 -10.665 6.399 -6.963 1.00 31.06 C ATOM 616 OD1 ASP A 39 -10.258 7.541 -6.619 1.00 35.55 O ATOM 617 OD2 ASP A 39 -10.759 6.062 -8.186 1.00 34.22 O ATOM 0 H ASP A 39 -9.548 3.684 -6.293 1.00 11.20 H new ATOM 0 HA ASP A 39 -9.314 5.954 -4.783 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.641 4.648 -6.186 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.874 6.086 -5.213 1.00 24.16 H new ATOM 622 N GLN A 40 -10.596 3.382 -3.235 1.00 11.60 N ATOM 623 CA GLN A 40 -11.044 2.714 -1.986 1.00 10.76 C ATOM 624 C GLN A 40 -9.893 2.338 -1.099 1.00 8.01 C ATOM 625 O GLN A 40 -9.997 1.488 -0.161 1.00 8.96 O ATOM 626 CB GLN A 40 -11.826 1.465 -2.373 1.00 11.14 C ATOM 627 CG GLN A 40 -13.145 1.741 -3.093 1.00 14.85 C ATOM 628 CD GLN A 40 -13.934 0.395 -3.307 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.750 -0.550 -2.530 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.910 0.402 -4.205 1.00 18.16 N ATOM 0 H GLN A 40 -10.237 2.690 -3.893 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.666 3.409 -1.422 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.200 0.844 -3.014 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.032 0.887 -1.472 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.748 2.437 -2.510 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.951 2.215 -4.055 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.026 1.203 -4.826 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.545 -0.393 -4.274 1.00 18.16 H new ATOM 639 N GLN A 41 -8.698 2.996 -1.257 1.00 6.52 N ATOM 640 CA GLN A 41 -7.526 2.534 -0.540 1.00 3.87 C ATOM 641 C GLN A 41 -6.732 3.710 0.016 1.00 4.79 C ATOM 642 O GLN A 41 -6.552 4.656 -0.673 1.00 6.34 O ATOM 643 CB GLN A 41 -6.588 1.746 -1.474 1.00 4.20 C ATOM 644 CG GLN A 41 -7.078 0.450 -2.008 1.00 3.20 C ATOM 645 CD GLN A 41 -5.974 -0.171 -2.806 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.796 -0.138 -2.333 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.316 -0.659 -3.991 1.00 7.13 N ATOM 0 H GLN A 41 -8.553 3.810 -1.854 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.880 1.897 0.270 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.342 2.387 -2.321 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.659 1.558 -0.936 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.376 -0.209 -1.193 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.959 0.604 -2.632 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.292 -0.643 -4.287 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.603 -1.051 -4.606 1.00 7.13 H new ATOM 656 N ARG A 42 -6.175 3.542 1.239 1.00 5.73 N ATOM 657 CA ARG A 42 -5.181 4.404 1.835 1.00 6.97 C ATOM 658 C ARG A 42 -4.215 3.451 2.428 1.00 7.15 C ATOM 659 O ARG A 42 -4.547 2.273 2.627 1.00 7.33 O ATOM 660 CB ARG A 42 -5.810 5.249 2.978 1.00 13.23 C ATOM 661 CG ARG A 42 -6.703 6.398 2.511 1.00 21.27 C ATOM 662 CD ARG A 42 -6.860 7.545 3.562 1.00 26.14 C ATOM 663 NE ARG A 42 -7.661 8.690 3.037 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.991 8.788 3.216 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.576 7.760 3.829 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.718 9.773 2.741 1.00 36.39 N ATOM 0 H ARG A 42 -6.431 2.763 1.846 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.743 5.097 1.116 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.396 4.589 3.618 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.008 5.658 3.592 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.291 6.815 1.592 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.690 6.003 2.268 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.339 7.150 4.458 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.873 7.901 3.858 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.181 9.428 2.522 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.018 6.962 4.132 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.582 7.771 3.996 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -9.277 10.519 2.203 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.724 9.792 2.910 1.00 36.39 H new ATOM 680 N LEU A 43 -3.008 3.810 2.662 1.00 4.65 N ATOM 681 CA LEU A 43 -1.985 2.879 3.071 1.00 3.51 C ATOM 682 C LEU A 43 -1.136 3.405 4.251 1.00 5.56 C ATOM 683 O LEU A 43 -0.810 4.590 4.199 1.00 4.19 O ATOM 684 CB LEU A 43 -0.984 2.549 1.975 1.00 3.74 C ATOM 685 CG LEU A 43 -1.529 1.837 0.711 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.409 1.658 -0.324 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.071 0.492 1.138 1.00 6.41 C ATOM 0 H LEU A 43 -2.682 4.773 2.578 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.558 1.994 3.348 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.508 3.478 1.661 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.204 1.921 2.407 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.316 2.433 0.249 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.806 1.157 -1.207 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.016 2.634 -0.607 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.391 1.056 0.106 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.463 -0.035 0.268 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.271 -0.096 1.589 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.870 0.636 1.865 1.00 6.41 H new ATOM 699 N ILE A 44 -0.855 2.608 5.286 1.00 4.58 N ATOM 700 CA ILE A 44 -0.118 2.979 6.527 1.00 5.55 C ATOM 701 C ILE A 44 1.107 2.135 6.811 1.00 5.46 C ATOM 702 O ILE A 44 1.004 0.902 6.924 1.00 6.04 O ATOM 703 CB ILE A 44 -1.023 3.080 7.810 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.075 4.107 7.553 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.280 3.261 9.073 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.190 4.157 8.594 1.00 13.90 C ATOM 0 H ILE A 44 -1.146 1.630 5.294 1.00 4.58 H new ATOM 0 HA ILE A 44 0.235 3.984 6.296 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.505 2.117 7.981 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -1.601 5.087 7.502 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.518 3.916 6.576 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.983 3.321 9.904 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.390 2.415 9.225 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.302 4.181 9.024 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.906 4.932 8.323 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.696 3.192 8.632 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.765 4.382 9.572 1.00 13.90 H new ATOM 718 N PHE A 45 2.239 2.755 7.016 1.00 6.75 N ATOM 719 CA PHE A 45 3.396 2.098 7.504 1.00 4.70 C ATOM 720 C PHE A 45 4.186 3.039 8.445 1.00 6.34 C ATOM 721 O PHE A 45 4.242 4.205 8.215 1.00 5.45 O ATOM 722 CB PHE A 45 4.245 1.742 6.233 1.00 5.51 C ATOM 723 CG PHE A 45 5.694 1.341 6.518 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.903 0.265 7.331 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.773 2.127 6.095 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.184 -0.142 7.727 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.064 1.747 6.462 1.00 6.64 C ATOM 728 CZ PHE A 45 8.324 0.622 7.279 1.00 6.84 C ATOM 0 H PHE A 45 2.373 3.751 6.841 1.00 6.75 H new ATOM 0 HA PHE A 45 3.148 1.207 8.080 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.755 0.925 5.704 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.246 2.601 5.562 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.048 -0.294 7.683 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.609 3.011 5.496 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.316 -1.011 8.355 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.898 2.335 6.108 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.331 0.347 7.555 1.00 6.84 H new ATOM 738 N ALA A 46 4.772 2.502 9.498 1.00 6.53 N ATOM 739 CA ALA A 46 5.591 3.136 10.503 1.00 7.15 C ATOM 740 C ALA A 46 4.848 4.273 11.186 1.00 9.00 C ATOM 741 O ALA A 46 5.502 5.241 11.589 1.00 11.15 O ATOM 742 CB ALA A 46 6.903 3.526 9.773 1.00 8.99 C ATOM 0 H ALA A 46 4.672 1.504 9.686 1.00 6.53 H new ATOM 0 HA ALA A 46 5.837 2.483 11.340 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.578 4.015 10.475 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.379 2.629 9.376 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.675 4.208 8.954 1.00 8.99 H new ATOM 748 N GLY A 47 3.456 4.182 11.314 1.00 9.35 N ATOM 749 CA GLY A 47 2.626 5.153 11.967 1.00 11.68 C ATOM 750 C GLY A 47 2.306 6.259 11.099 1.00 11.14 C ATOM 751 O GLY A 47 1.683 7.225 11.595 1.00 13.93 O ATOM 0 H GLY A 47 2.925 3.395 10.940 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.705 4.676 12.302 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.134 5.525 12.857 1.00 11.68 H new ATOM 755 N LYS A 48 2.753 6.228 9.817 1.00 10.47 N ATOM 756 CA LYS A 48 2.568 7.378 8.870 1.00 8.82 C ATOM 757 C LYS A 48 1.949 6.847 7.587 1.00 7.68 C ATOM 758 O LYS A 48 2.222 5.780 7.037 1.00 6.47 O ATOM 759 CB LYS A 48 3.937 7.968 8.372 1.00 9.74 C ATOM 760 CG LYS A 48 4.929 8.212 9.449 1.00 14.14 C ATOM 761 CD LYS A 48 6.336 8.647 8.947 1.00 16.32 C ATOM 762 CE LYS A 48 7.187 7.434 8.366 1.00 20.04 C ATOM 763 NZ LYS A 48 8.412 7.914 7.740 1.00 23.92 N ATOM 0 H LYS A 48 3.241 5.430 9.410 1.00 10.47 H new ATOM 0 HA LYS A 48 1.977 8.123 9.403 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.371 7.282 7.644 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.746 8.906 7.851 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.541 8.983 10.115 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.034 7.303 10.041 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.222 9.407 8.174 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.883 9.108 9.769 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.432 6.738 9.169 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.593 6.883 7.637 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.951 7.106 7.368 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.173 8.560 6.960 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.987 8.419 8.444 1.00 23.92 H new ATOM 777 N GLN A 49 0.999 7.651 7.123 1.00 8.89 N ATOM 778 CA GLN A 49 0.123 7.341 6.046 1.00 7.18 C ATOM 779 C GLN A 49 0.826 7.707 4.751 1.00 8.23 C ATOM 780 O GLN A 49 1.440 8.800 4.588 1.00 9.70 O ATOM 781 CB GLN A 49 -1.292 7.998 6.301 1.00 11.67 C ATOM 782 CG GLN A 49 -2.354 7.406 5.291 1.00 15.82 C ATOM 783 CD GLN A 49 -3.708 7.781 5.677 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.521 6.939 5.964 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.037 9.131 5.707 1.00 20.67 N ATOM 0 H GLN A 49 0.827 8.575 7.519 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.100 6.277 5.966 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.610 7.810 7.327 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.227 9.079 6.180 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.145 7.769 4.285 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.268 6.320 5.263 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.338 9.832 5.461 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.978 9.421 5.975 1.00 20.67 H new ATOM 794 N LEU A 50 0.877 6.747 3.782 1.00 6.51 N ATOM 795 CA LEU A 50 1.630 6.821 2.512 1.00 7.41 C ATOM 796 C LEU A 50 1.094 7.861 1.486 1.00 8.27 C ATOM 797 O LEU A 50 -0.112 7.983 1.310 1.00 8.34 O ATOM 798 CB LEU A 50 1.780 5.413 1.910 1.00 7.13 C ATOM 799 CG LEU A 50 2.319 4.376 2.829 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.610 3.022 2.117 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.567 4.869 3.519 1.00 9.11 C ATOM 0 H LEU A 50 0.370 5.867 3.877 1.00 6.51 H new ATOM 0 HA LEU A 50 2.618 7.209 2.762 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.804 5.084 1.552 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.433 5.477 1.040 1.00 7.13 H new ATOM 0 HG LEU A 50 1.540 4.191 3.568 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.001 2.307 2.841 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.688 2.633 1.684 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.345 3.177 1.327 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.944 4.094 4.186 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.326 5.106 2.773 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.334 5.764 4.097 1.00 9.11 H new ATOM 813 N GLU A 51 1.982 8.608 0.769 1.00 9.43 N ATOM 814 CA GLU A 51 1.641 9.654 -0.191 1.00 11.90 C ATOM 815 C GLU A 51 2.059 9.126 -1.565 1.00 11.49 C ATOM 816 O GLU A 51 3.111 8.507 -1.772 1.00 9.88 O ATOM 817 CB GLU A 51 2.311 11.072 0.098 1.00 16.56 C ATOM 818 CG GLU A 51 1.844 12.107 -0.907 1.00 26.06 C ATOM 819 CD GLU A 51 2.677 13.327 -0.691 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.565 13.879 0.429 1.00 33.44 O ATOM 821 OE2 GLU A 51 3.627 13.620 -1.479 1.00 32.13 O ATOM 0 H GLU A 51 2.990 8.479 0.861 1.00 9.43 H new ATOM 0 HA GLU A 51 0.571 9.853 -0.123 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.058 11.399 1.107 1.00 16.56 H new ATOM 0 HB3 GLU A 51 3.396 10.981 0.055 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.959 11.736 -1.925 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.787 12.332 -0.767 1.00 26.06 H new ATOM 828 N ASP A 52 1.111 9.318 -2.536 1.00 12.71 N ATOM 829 CA ASP A 52 1.030 8.607 -3.810 1.00 16.56 C ATOM 830 C ASP A 52 2.274 8.683 -4.700 1.00 15.83 C ATOM 831 O ASP A 52 2.746 7.663 -5.222 1.00 17.21 O ATOM 832 CB ASP A 52 -0.107 9.246 -4.620 1.00 21.05 C ATOM 833 CG ASP A 52 -1.406 9.308 -3.807 1.00 25.12 C ATOM 834 OD1 ASP A 52 -1.481 10.155 -2.906 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.395 8.589 -4.169 1.00 25.82 O ATOM 0 H ASP A 52 0.364 10.004 -2.427 1.00 12.71 H new ATOM 0 HA ASP A 52 0.890 7.558 -3.549 1.00 16.56 H new ATOM 0 HB2 ASP A 52 0.182 10.252 -4.925 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.273 8.672 -5.532 1.00 21.05 H new ATOM 840 N GLY A 53 2.859 9.874 -4.884 1.00 15.00 N ATOM 841 CA GLY A 53 3.883 10.097 -5.924 1.00 11.77 C ATOM 842 C GLY A 53 5.278 9.827 -5.457 1.00 11.10 C ATOM 843 O GLY A 53 6.203 9.764 -6.289 1.00 11.25 O ATOM 0 H GLY A 53 2.643 10.701 -4.328 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.665 9.458 -6.780 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.818 11.128 -6.271 1.00 11.77 H new ATOM 847 N ARG A 54 5.395 9.596 -4.157 1.00 8.53 N ATOM 848 CA ARG A 54 6.635 9.198 -3.576 1.00 9.05 C ATOM 849 C ARG A 54 6.875 7.704 -3.874 1.00 8.96 C ATOM 850 O ARG A 54 5.973 6.938 -4.227 1.00 11.60 O ATOM 851 CB ARG A 54 6.674 9.466 -2.120 1.00 7.97 C ATOM 852 CG ARG A 54 5.857 10.652 -1.602 1.00 9.62 C ATOM 853 CD ARG A 54 6.325 10.999 -0.183 1.00 12.20 C ATOM 854 NE ARG A 54 5.594 12.162 0.319 1.00 18.23 N ATOM 855 CZ ARG A 54 5.593 12.511 1.632 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.481 12.006 2.564 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.635 13.328 2.048 1.00 23.38 N ATOM 0 H ARG A 54 4.627 9.683 -3.492 1.00 8.53 H new ATOM 0 HA ARG A 54 7.435 9.790 -4.021 1.00 9.05 H new ATOM 0 HB2 ARG A 54 6.332 8.569 -1.603 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.714 9.622 -1.834 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.982 11.512 -2.260 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.795 10.405 -1.598 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.167 10.147 0.479 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.395 11.206 -0.185 1.00 12.20 H new ATOM 0 HE ARG A 54 5.065 12.732 -0.341 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.190 11.330 2.279 1.00 25.50 H new ATOM 0 HH12 ARG A 54 6.427 12.309 3.536 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.935 13.670 1.390 1.00 23.38 H new ATOM 0 HH22 ARG A 54 4.598 13.615 3.026 1.00 23.38 H new ATOM 871 N THR A 55 8.171 7.261 -3.813 1.00 9.05 N ATOM 872 CA THR A 55 8.547 5.893 -4.059 1.00 9.03 C ATOM 873 C THR A 55 8.490 5.045 -2.768 1.00 8.15 C ATOM 874 O THR A 55 8.563 5.575 -1.648 1.00 5.91 O ATOM 875 CB THR A 55 9.992 5.638 -4.622 1.00 11.15 C ATOM 876 OG1 THR A 55 11.070 5.952 -3.774 1.00 11.95 O ATOM 877 CG2 THR A 55 10.132 6.359 -5.976 1.00 11.71 C ATOM 0 H THR A 55 8.959 7.869 -3.589 1.00 9.05 H new ATOM 0 HA THR A 55 7.818 5.612 -4.819 1.00 9.03 H new ATOM 0 HB THR A 55 10.071 4.556 -4.726 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.758 5.258 -3.849 1.00 11.95 H new ATOM 0 HG21 THR A 55 11.131 6.189 -6.377 1.00 11.71 H new ATOM 0 HG22 THR A 55 9.390 5.970 -6.674 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.974 7.428 -5.837 1.00 11.71 H new ATOM 885 N LEU A 56 8.449 3.721 -2.975 1.00 6.91 N ATOM 886 CA LEU A 56 8.691 2.768 -1.904 1.00 8.29 C ATOM 887 C LEU A 56 9.996 3.028 -1.203 1.00 8.05 C ATOM 888 O LEU A 56 10.124 3.039 0.031 1.00 10.17 O ATOM 889 CB LEU A 56 8.768 1.343 -2.431 1.00 6.60 C ATOM 890 CG LEU A 56 7.365 0.745 -2.709 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.239 -0.099 -3.978 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.890 -0.014 -1.544 1.00 8.64 C ATOM 0 H LEU A 56 8.249 3.294 -3.879 1.00 6.91 H new ATOM 0 HA LEU A 56 7.854 2.889 -1.217 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.356 1.328 -3.349 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.291 0.718 -1.707 1.00 6.60 H new ATOM 0 HG LEU A 56 6.730 1.613 -2.890 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.217 -0.465 -4.071 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.487 0.511 -4.847 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.924 -0.945 -3.922 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.904 -0.427 -1.756 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.585 -0.826 -1.331 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.828 0.647 -0.680 1.00 8.64 H new ATOM 904 N SER A 57 11.159 3.244 -1.914 1.00 8.92 N ATOM 905 CA SER A 57 12.442 3.515 -1.282 1.00 9.00 C ATOM 906 C SER A 57 12.386 4.769 -0.509 1.00 9.44 C ATOM 907 O SER A 57 12.970 4.907 0.574 1.00 10.91 O ATOM 908 CB SER A 57 13.580 3.583 -2.344 1.00 10.32 C ATOM 909 OG SER A 57 13.353 4.302 -3.580 1.00 13.59 O ATOM 0 H SER A 57 11.200 3.229 -2.933 1.00 8.92 H new ATOM 0 HA SER A 57 12.661 2.695 -0.597 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.452 4.026 -1.862 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.846 2.559 -2.605 1.00 10.32 H new ATOM 0 HG SER A 57 14.157 4.255 -4.138 1.00 13.59 H new ATOM 915 N ASP A 58 11.691 5.808 -0.970 1.00 9.11 N ATOM 916 CA ASP A 58 11.565 7.064 -0.237 1.00 7.91 C ATOM 917 C ASP A 58 10.947 6.940 1.182 1.00 9.12 C ATOM 918 O ASP A 58 11.243 7.644 2.142 1.00 8.61 O ATOM 919 CB ASP A 58 10.673 8.112 -1.060 1.00 8.41 C ATOM 920 CG ASP A 58 10.760 9.515 -0.512 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.938 9.951 -0.363 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.744 10.177 -0.332 1.00 11.70 O ATOM 0 H ASP A 58 11.199 5.801 -1.864 1.00 9.11 H new ATOM 0 HA ASP A 58 12.594 7.404 -0.117 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.993 8.114 -2.102 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.633 7.786 -1.046 1.00 8.41 H new ATOM 927 N TYR A 59 10.096 5.960 1.341 1.00 7.97 N ATOM 928 CA TYR A 59 9.410 5.767 2.580 1.00 8.45 C ATOM 929 C TYR A 59 10.092 4.753 3.403 1.00 10.98 C ATOM 930 O TYR A 59 9.641 4.441 4.515 1.00 12.95 O ATOM 931 CB TYR A 59 7.985 5.241 2.187 1.00 7.94 C ATOM 932 CG TYR A 59 6.958 6.351 2.185 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.793 7.086 3.427 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.296 6.753 1.030 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.766 8.065 3.456 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.364 7.828 1.122 1.00 6.52 C ATOM 937 CZ TYR A 59 5.105 8.468 2.331 1.00 6.76 C ATOM 938 OH TYR A 59 4.201 9.531 2.389 1.00 7.63 O ATOM 0 H TYR A 59 9.864 5.280 0.617 1.00 7.97 H new ATOM 0 HA TYR A 59 9.374 6.689 3.160 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.026 4.782 1.199 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.679 4.464 2.887 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.420 6.897 4.285 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.483 6.263 0.086 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.497 8.508 4.404 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.846 8.154 0.232 1.00 6.52 H new ATOM 0 HH TYR A 59 4.477 10.157 3.091 1.00 7.63 H new ATOM 948 N ASN A 60 11.265 4.242 2.913 1.00 12.38 N ATOM 949 CA ASN A 60 12.088 3.383 3.653 1.00 13.94 C ATOM 950 C ASN A 60 11.485 2.058 3.800 1.00 14.16 C ATOM 951 O ASN A 60 11.773 1.325 4.730 1.00 14.26 O ATOM 952 CB ASN A 60 12.648 3.992 4.987 1.00 19.23 C ATOM 953 CG ASN A 60 13.153 5.414 4.785 1.00 22.65 C ATOM 954 OD1 ASN A 60 12.609 6.429 5.223 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.313 5.536 4.124 1.00 24.09 N ATOM 0 H ASN A 60 11.620 4.450 1.980 1.00 12.38 H new ATOM 0 HA ASN A 60 12.992 3.249 3.059 1.00 13.94 H new ATOM 0 HB2 ASN A 60 11.866 3.987 5.746 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.459 3.367 5.361 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.730 6.457 3.991 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.779 4.707 3.754 1.00 24.09 H new ATOM 962 N ILE A 61 10.653 1.642 2.857 1.00 11.08 N ATOM 963 CA ILE A 61 9.925 0.399 2.819 1.00 11.78 C ATOM 964 C ILE A 61 10.856 -0.776 2.360 1.00 13.74 C ATOM 965 O ILE A 61 11.223 -0.966 1.205 1.00 14.60 O ATOM 966 CB ILE A 61 8.529 0.486 2.107 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.601 1.363 2.954 1.00 11.56 C ATOM 968 CG2 ILE A 61 7.934 -0.908 1.826 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.555 2.028 2.117 1.00 11.42 C ATOM 0 H ILE A 61 10.460 2.217 2.037 1.00 11.08 H new ATOM 0 HA ILE A 61 9.628 0.160 3.840 1.00 11.78 H new ATOM 0 HB ILE A 61 8.651 0.947 1.127 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.121 0.753 3.719 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.189 2.121 3.472 1.00 11.56 H new ATOM 0 HG21 ILE A 61 6.968 -0.799 1.333 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.610 -1.469 1.180 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.803 -1.444 2.766 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.916 2.641 2.752 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.035 2.659 1.368 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.951 1.269 1.619 1.00 11.42 H new ATOM 981 N GLN A 62 11.307 -1.637 3.313 1.00 13.97 N ATOM 982 CA GLN A 62 12.195 -2.797 3.173 1.00 15.52 C ATOM 983 C GLN A 62 11.493 -4.083 2.752 1.00 13.94 C ATOM 984 O GLN A 62 10.257 -4.235 2.646 1.00 12.15 O ATOM 985 CB GLN A 62 12.984 -3.045 4.423 1.00 19.53 C ATOM 986 CG GLN A 62 13.758 -1.808 4.998 1.00 26.38 C ATOM 987 CD GLN A 62 14.731 -2.216 6.097 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.934 -2.051 5.928 1.00 33.23 O ATOM 989 NE2 GLN A 62 14.180 -2.772 7.233 1.00 32.71 N ATOM 0 H GLN A 62 11.024 -1.514 4.285 1.00 13.97 H new ATOM 0 HA GLN A 62 12.867 -2.525 2.359 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.305 -3.414 5.192 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.703 -3.840 4.225 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.303 -1.313 4.194 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.045 -1.084 5.393 1.00 26.38 H new ATOM 0 HE21 GLN A 62 13.169 -2.881 7.309 1.00 32.71 H new ATOM 0 HE22 GLN A 62 14.784 -3.074 7.997 1.00 32.71 H new ATOM 998 N LYS A 63 12.379 -5.115 2.512 1.00 11.73 N ATOM 999 CA LYS A 63 11.957 -6.450 2.164 1.00 11.97 C ATOM 1000 C LYS A 63 11.214 -7.116 3.257 1.00 10.41 C ATOM 1001 O LYS A 63 11.509 -6.966 4.461 1.00 9.59 O ATOM 1002 CB LYS A 63 13.002 -7.427 1.622 1.00 13.73 C ATOM 1003 CG LYS A 63 13.929 -8.083 2.670 1.00 16.98 C ATOM 1004 CD LYS A 63 15.118 -8.835 2.089 1.00 20.19 C ATOM 1005 CE LYS A 63 16.195 -9.198 3.067 1.00 23.42 C ATOM 1006 NZ LYS A 63 15.691 -10.117 4.100 1.00 25.97 N ATOM 0 H LYS A 63 13.392 -5.005 2.564 1.00 11.73 H new ATOM 0 HA LYS A 63 11.313 -6.228 1.313 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.483 -8.218 1.080 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.623 -6.899 0.898 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.300 -7.309 3.342 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.340 -8.774 3.274 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.753 -9.750 1.621 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.559 -8.227 1.299 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.028 -9.663 2.539 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.581 -8.294 3.538 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 16.463 -10.363 4.752 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 14.924 -9.656 4.630 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 15.330 -10.982 3.649 1.00 25.97 H new ATOM 1020 N GLU A 64 10.141 -7.769 2.879 1.00 10.04 N ATOM 1021 CA GLU A 64 9.226 -8.495 3.687 1.00 10.94 C ATOM 1022 C GLU A 64 8.527 -7.643 4.754 1.00 9.74 C ATOM 1023 O GLU A 64 8.311 -8.045 5.902 1.00 9.42 O ATOM 1024 CB GLU A 64 9.860 -9.698 4.330 1.00 18.31 C ATOM 1025 CG GLU A 64 10.273 -10.619 3.160 1.00 24.16 C ATOM 1026 CD GLU A 64 10.985 -11.922 3.749 1.00 29.00 C ATOM 1027 OE1 GLU A 64 10.904 -12.145 4.966 1.00 32.61 O ATOM 1028 OE2 GLU A 64 11.530 -12.709 2.960 1.00 31.72 O ATOM 0 H GLU A 64 9.872 -7.800 1.896 1.00 10.04 H new ATOM 0 HA GLU A 64 8.458 -8.831 2.990 1.00 10.94 H new ATOM 0 HB2 GLU A 64 10.724 -9.413 4.930 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.161 -10.201 4.998 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.397 -10.901 2.575 1.00 24.16 H new ATOM 0 HG3 GLU A 64 10.950 -10.092 2.487 1.00 24.16 H new ATOM 1035 N SER A 65 8.225 -6.429 4.325 1.00 6.85 N ATOM 1036 CA SER A 65 7.674 -5.346 5.115 1.00 6.90 C ATOM 1037 C SER A 65 6.232 -5.276 4.960 1.00 4.72 C ATOM 1038 O SER A 65 5.681 -5.623 3.901 1.00 3.91 O ATOM 1039 CB SER A 65 8.399 -4.002 4.916 1.00 7.28 C ATOM 1040 OG SER A 65 8.040 -3.006 5.888 1.00 10.56 O ATOM 0 H SER A 65 8.368 -6.159 3.352 1.00 6.85 H new ATOM 0 HA SER A 65 7.865 -5.579 6.163 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.475 -4.169 4.960 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.176 -3.622 3.919 1.00 7.28 H new ATOM 0 HG SER A 65 8.535 -2.179 5.707 1.00 10.56 H new ATOM 1046 N THR A 66 5.589 -4.846 6.016 1.00 4.48 N ATOM 1047 CA THR A 66 4.066 -4.890 6.097 1.00 3.80 C ATOM 1048 C THR A 66 3.573 -3.515 5.899 1.00 4.60 C ATOM 1049 O THR A 66 4.063 -2.605 6.571 1.00 5.33 O ATOM 1050 CB THR A 66 3.456 -5.529 7.353 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.057 -6.818 7.550 1.00 2.15 O ATOM 1052 CG2 THR A 66 1.927 -5.702 7.217 1.00 3.40 C ATOM 0 H THR A 66 6.045 -4.459 6.843 1.00 4.48 H new ATOM 0 HA THR A 66 3.734 -5.569 5.312 1.00 3.80 H new ATOM 0 HB THR A 66 3.648 -4.873 8.202 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.678 -7.237 8.351 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.530 -6.157 8.124 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.463 -4.727 7.067 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.708 -6.344 6.364 1.00 3.40 H new ATOM 1060 N LEU A 67 2.610 -3.254 4.989 1.00 4.17 N ATOM 1061 CA LEU A 67 1.899 -2.027 4.820 1.00 3.85 C ATOM 1062 C LEU A 67 0.450 -2.275 5.227 1.00 3.80 C ATOM 1063 O LEU A 67 -0.209 -3.181 4.732 1.00 5.54 O ATOM 1064 CB LEU A 67 1.939 -1.475 3.307 1.00 7.18 C ATOM 1065 CG LEU A 67 3.219 -1.383 2.504 1.00 9.67 C ATOM 1066 CD1 LEU A 67 2.974 -0.712 1.206 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.325 -0.819 3.385 1.00 11.66 C ATOM 0 H LEU A 67 2.309 -3.963 4.320 1.00 4.17 H new ATOM 0 HA LEU A 67 2.377 -1.268 5.439 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.255 -2.097 2.731 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.514 -0.472 3.331 1.00 7.18 H new ATOM 0 HG LEU A 67 3.585 -2.365 2.204 1.00 9.67 H new ATOM 0 HD11 LEU A 67 3.906 -0.656 0.644 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.240 -1.281 0.635 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.595 0.295 1.383 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.249 -0.751 2.810 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.041 0.174 3.734 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.478 -1.475 4.242 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.144 -1.446 6.131 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.472 -1.728 6.600 1.00 4.17 C ATOM 1081 C HIS A 68 -2.486 -1.070 5.655 1.00 5.32 C ATOM 1082 O HIS A 68 -2.373 0.145 5.387 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.647 -1.342 8.079 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.475 -1.800 8.881 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.744 -1.135 8.943 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.268 -2.957 9.591 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.611 -1.888 9.657 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.029 -3.007 10.115 1.00 16.30 N ATOM 0 H HIS A 68 0.286 -0.608 6.522 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.656 -2.802 6.577 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.756 -0.261 8.168 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.561 -1.788 8.472 1.00 5.57 H new ATOM 0 HD1 HIS A 68 0.950 -0.230 8.520 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -1.011 -3.729 9.728 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.642 -1.622 9.836 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.554 -1.778 5.165 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.480 -1.193 4.251 1.00 3.97 C ATOM 1098 C LEU A 69 -5.603 -0.563 5.029 1.00 5.07 C ATOM 1099 O LEU A 69 -6.208 -1.185 5.854 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.980 -2.324 3.314 1.00 6.08 C ATOM 1101 CG LEU A 69 -6.239 -2.065 2.484 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -6.034 -0.980 1.407 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.737 -3.362 1.783 1.00 9.96 C ATOM 0 H LEU A 69 -3.758 -2.747 5.411 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.023 -0.409 3.648 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -4.171 -2.570 2.626 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.159 -3.209 3.925 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.986 -1.713 3.196 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.961 -0.840 0.851 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.752 -0.042 1.885 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -5.244 -1.291 0.723 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.633 -3.141 1.202 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.958 -3.739 1.120 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.969 -4.116 2.535 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.890 0.720 4.813 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.105 1.390 5.211 1.00 6.26 C ATOM 1117 C VAL A 70 -8.050 1.612 4.005 1.00 9.22 C ATOM 1118 O VAL A 70 -7.674 1.703 2.861 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.791 2.703 5.909 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.099 3.372 6.297 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.963 2.358 7.169 1.00 8.54 C ATOM 0 H VAL A 70 -5.242 1.343 4.331 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.625 0.745 5.919 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.231 3.383 5.267 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.890 4.316 6.799 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.691 3.561 5.401 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.656 2.719 6.969 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.714 3.275 7.703 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.545 1.706 7.820 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.045 1.850 6.873 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.368 1.634 4.257 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.330 1.775 3.124 1.00 16.06 C ATOM 1133 C LEU A 71 -10.817 3.184 3.026 1.00 18.09 C ATOM 1134 O LEU A 71 -10.894 3.927 4.012 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.443 0.682 3.246 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.972 -0.715 3.162 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.126 -1.688 3.492 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -10.329 -1.075 1.787 1.00 19.57 C ATOM 0 H LEU A 71 -9.789 1.561 5.183 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.842 1.589 2.167 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.958 0.817 4.197 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.178 0.847 2.459 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.179 -0.819 3.903 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.766 -2.715 3.427 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.488 -1.494 4.502 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.939 -1.543 2.781 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -10.006 -2.116 1.798 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -11.062 -0.931 0.994 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.469 -0.430 1.608 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.203 3.614 1.846 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.534 4.997 1.625 1.00 25.83 C ATOM 1152 C ARG A 72 -12.999 5.161 1.202 1.00 27.74 C ATOM 1153 O ARG A 72 -13.513 4.366 0.390 1.00 30.65 O ATOM 1154 CB ARG A 72 -10.624 5.593 0.614 1.00 28.49 C ATOM 1155 CG ARG A 72 -10.652 7.044 0.299 1.00 31.79 C ATOM 1156 CD ARG A 72 -9.616 7.515 -0.710 1.00 34.05 C ATOM 1157 NE ARG A 72 -9.892 8.999 -0.722 1.00 35.08 N ATOM 1158 CZ ARG A 72 -9.292 9.782 -1.645 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -8.216 9.423 -2.306 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -9.698 11.048 -1.683 1.00 35.02 N ATOM 0 H ARG A 72 -11.295 3.019 1.022 1.00 21.47 H new ATOM 0 HA ARG A 72 -11.402 5.528 2.568 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -9.607 5.357 0.926 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -10.801 5.063 -0.322 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -11.643 7.297 -0.079 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -10.512 7.602 1.225 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -8.598 7.286 -0.395 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -9.757 7.060 -1.690 1.00 34.05 H new ATOM 0 HE ARG A 72 -10.528 9.408 -0.037 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -7.791 8.512 -2.133 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -7.805 10.055 -2.993 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -10.420 11.372 -1.039 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -9.287 11.695 -2.356 1.00 35.02 H new ATOM 1174 N LEU A 73 -13.712 6.125 1.789 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.095 6.473 1.435 1.00 30.76 C ATOM 1176 C LEU A 73 -15.016 7.898 0.997 1.00 32.18 C ATOM 1177 O LEU A 73 -14.046 8.614 1.293 1.00 32.31 O ATOM 1178 CB LEU A 73 -16.017 6.376 2.675 1.00 30.53 C ATOM 1179 CG LEU A 73 -16.288 5.006 3.317 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -16.547 5.081 4.823 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -17.333 4.193 2.526 1.00 29.11 C ATOM 0 H LEU A 73 -13.337 6.701 2.543 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.500 5.807 0.674 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -15.594 7.019 3.447 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -16.981 6.802 2.398 1.00 30.53 H new ATOM 0 HG LEU A 73 -15.362 4.435 3.243 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -16.731 4.079 5.211 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -15.677 5.509 5.321 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -17.418 5.708 5.012 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -17.493 3.232 3.016 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -18.273 4.744 2.492 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -16.973 4.027 1.511 1.00 29.11 H new ATOM 1193 N ARG A 74 -15.987 8.407 0.244 1.00 33.82 N ATOM 1194 CA ARG A 74 -16.153 9.791 -0.180 1.00 35.33 C ATOM 1195 C ARG A 74 -16.168 10.692 1.019 1.00 36.22 C ATOM 1196 O ARG A 74 -15.464 11.673 1.081 1.00 36.70 O ATOM 1197 CB ARG A 74 -17.432 9.967 -1.066 1.00 36.91 C ATOM 1198 CG ARG A 74 -17.555 9.264 -2.452 1.00 38.62 C ATOM 1199 CD ARG A 74 -16.252 9.268 -3.311 1.00 39.75 C ATOM 1200 NE ARG A 74 -16.570 9.105 -4.744 1.00 41.13 N ATOM 1201 CZ ARG A 74 -15.598 9.134 -5.654 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -14.331 9.529 -5.375 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -15.808 8.593 -6.821 1.00 41.93 N ATOM 0 H ARG A 74 -16.736 7.814 -0.113 1.00 33.82 H new ATOM 0 HA ARG A 74 -15.305 10.073 -0.804 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -18.282 9.641 -0.467 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -17.555 11.036 -1.239 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -17.864 8.231 -2.293 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -18.348 9.750 -3.020 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -15.712 10.202 -3.157 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -15.594 8.462 -2.986 1.00 39.75 H new ATOM 0 HE ARG A 74 -17.537 8.970 -5.038 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -14.085 9.823 -4.430 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -13.624 9.532 -6.110 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -16.706 8.156 -7.026 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -15.074 8.607 -7.529 1.00 41.93 H new ATOM 1217 N GLY A 75 -16.921 10.393 2.079 1.00 36.31 N ATOM 1218 CA GLY A 75 -16.878 11.244 3.276 1.00 36.07 C ATOM 1219 C GLY A 75 -15.761 10.974 4.324 1.00 36.16 C ATOM 1220 O GLY A 75 -15.678 11.734 5.272 1.00 36.26 O ATOM 0 H GLY A 75 -17.551 9.593 2.138 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -16.784 12.279 2.947 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -17.839 11.157 3.782 1.00 36.07 H new ATOM 1224 N GLY A 76 -15.035 9.874 4.100 1.00 36.05 N ATOM 1225 CA GLY A 76 -14.048 9.345 4.994 1.00 36.19 C ATOM 1226 C GLY A 76 -12.743 9.182 4.251 1.00 36.20 C ATOM 1227 O GLY A 76 -12.155 10.237 3.825 1.00 0.00 O ATOM 1228 OXT GLY A 76 -12.247 8.013 4.140 1.00 0.00 O ATOM 0 H GLY A 76 -15.137 9.319 3.251 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -13.915 10.013 5.845 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -14.377 8.385 5.391 1.00 36.19 H new TER 1232 GLY A 76