USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=16 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 -41:sc= 1.12 USER MOD Set 1.2: A 25 ASN : amide:sc= 1.98 K(o=3.1,f=-6.6!) USER MOD Single : A 1 MET CE :methyl 158:sc= 0 (180deg=-0.0744) USER MOD Single : A 1 MET N :NH3+ 180:sc= 2.32 (180deg=2.32) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -134:sc= 1.26 (180deg=0.777) 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 27 LYS NZ :NH3+ -166:sc= 1.05 (180deg=0.605) USER MOD Single : A 29 LYS NZ :NH3+ 172:sc= 0.892 (180deg=0.844) USER MOD Single : A 31 GLN : amide:sc= -1.47 K(o=-1.5,f=-4!) USER MOD Single : A 33 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00428) USER MOD Single : A 40 GLN : amide:sc= -0.274 K(o=-0.27,f=-0.84) USER MOD Single : A 41 GLN : amide:sc= -0.154 K(o=-0.15,f=-2) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot -60:sc= 1.63 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 15:sc= 0.156 USER MOD Single : A 60 ASN : amide:sc=-0.000647 X(o=-0.00065,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.359 X(o=-0.36,f=-0.0081) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 94:sc= 1.31 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0547 X(o=-0.055,f=-0.5) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.611 -7.242 -4.767 1.00 9.67 N ATOM 2 CA MET A 1 11.510 -7.611 -3.379 1.00 10.38 C ATOM 3 C MET A 1 10.093 -7.885 -2.930 1.00 9.62 C ATOM 4 O MET A 1 9.124 -7.387 -3.477 1.00 9.62 O ATOM 5 CB MET A 1 12.255 -6.571 -2.555 1.00 13.77 C ATOM 6 CG MET A 1 11.405 -5.309 -2.218 1.00 16.29 C ATOM 7 SD MET A 1 12.284 -4.183 -1.068 1.00 17.17 S ATOM 8 CE MET A 1 10.918 -3.036 -0.777 1.00 16.11 C ATOM 0 H1 MET A 1 12.608 -7.068 -5.008 1.00 9.67 H new ATOM 0 H2 MET A 1 11.240 -8.013 -5.359 1.00 9.67 H new ATOM 0 H3 MET A 1 11.058 -6.378 -4.938 1.00 9.67 H new ATOM 0 HA MET A 1 11.991 -8.576 -3.219 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.591 -7.030 -1.625 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.148 -6.262 -3.099 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.166 -4.775 -3.138 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.459 -5.616 -1.773 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.081 -2.507 0.162 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.867 -2.316 -1.594 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.982 -3.591 -0.723 1.00 16.11 H new ATOM 20 N GLN A 2 9.941 -8.778 -1.912 1.00 9.27 N ATOM 21 CA GLN A 2 8.662 -9.178 -1.365 1.00 9.07 C ATOM 22 C GLN A 2 8.272 -8.152 -0.270 1.00 8.72 C ATOM 23 O GLN A 2 9.106 -7.639 0.477 1.00 8.22 O ATOM 24 CB GLN A 2 8.793 -10.526 -0.607 1.00 14.46 C ATOM 25 CG GLN A 2 7.429 -11.237 -0.103 1.00 17.01 C ATOM 26 CD GLN A 2 7.621 -12.559 0.700 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.195 -12.555 1.768 1.00 21.89 O ATOM 28 NE2 GLN A 2 6.988 -13.634 0.201 1.00 19.49 N ATOM 0 H GLN A 2 10.732 -9.234 -1.458 1.00 9.27 H new ATOM 0 HA GLN A 2 7.945 -9.248 -2.183 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.317 -11.227 -1.256 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.428 -10.362 0.264 1.00 14.46 H new ATOM 0 HG2 GLN A 2 6.880 -10.531 0.519 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.806 -11.447 -0.973 1.00 17.01 H new ATOM 0 HE21 GLN A 2 6.522 -13.577 -0.704 1.00 19.49 H new ATOM 0 HE22 GLN A 2 6.973 -14.507 0.728 1.00 19.49 H new ATOM 37 N ILE A 3 6.973 -7.904 -0.131 1.00 5.87 N ATOM 38 CA ILE A 3 6.390 -7.161 0.912 1.00 5.07 C ATOM 39 C ILE A 3 5.057 -7.826 1.232 1.00 4.01 C ATOM 40 O ILE A 3 4.507 -8.561 0.455 1.00 4.61 O ATOM 41 CB ILE A 3 6.157 -5.695 0.644 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.455 -5.380 -0.658 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.551 -4.879 0.640 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.160 -3.877 -0.873 1.00 10.83 C ATOM 0 H ILE A 3 6.283 -8.250 -0.798 1.00 5.87 H new ATOM 0 HA ILE A 3 7.104 -7.170 1.735 1.00 5.07 H new ATOM 0 HB ILE A 3 5.500 -5.388 1.458 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.068 -5.740 -1.484 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.516 -5.932 -0.694 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.355 -3.825 0.445 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.037 -4.984 1.610 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.203 -5.277 -0.137 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.656 -3.738 -1.829 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.520 -3.513 -0.069 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.096 -3.319 -0.872 1.00 10.83 H new ATOM 56 N PHE A 4 4.563 -7.557 2.441 1.00 4.55 N ATOM 57 CA PHE A 4 3.279 -7.948 2.949 1.00 4.68 C ATOM 58 C PHE A 4 2.350 -6.812 3.103 1.00 5.30 C ATOM 59 O PHE A 4 2.703 -5.717 3.539 1.00 5.58 O ATOM 60 CB PHE A 4 3.451 -8.453 4.352 1.00 4.83 C ATOM 61 CG PHE A 4 4.124 -9.851 4.381 1.00 7.97 C ATOM 62 CD1 PHE A 4 3.348 -11.021 4.336 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.483 -9.923 4.409 1.00 8.34 C ATOM 64 CE1 PHE A 4 3.962 -12.269 4.108 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.132 -11.216 4.327 1.00 10.61 C ATOM 66 CZ PHE A 4 5.338 -12.301 4.010 1.00 8.90 C ATOM 0 H PHE A 4 5.098 -7.023 3.126 1.00 4.55 H new ATOM 0 HA PHE A 4 2.887 -8.678 2.241 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.055 -7.747 4.921 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.478 -8.507 4.841 1.00 4.83 H new ATOM 0 HD1 PHE A 4 2.279 -10.964 4.476 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.074 -9.023 4.492 1.00 8.34 H new ATOM 0 HE1 PHE A 4 3.375 -13.170 4.013 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.191 -11.327 4.506 1.00 10.61 H new ATOM 0 HZ PHE A 4 5.813 -13.210 3.672 1.00 8.90 H new ATOM 76 N VAL A 5 1.130 -7.001 2.786 1.00 4.44 N ATOM 77 CA VAL A 5 0.045 -6.018 2.984 1.00 3.87 C ATOM 78 C VAL A 5 -1.046 -6.651 3.848 1.00 4.93 C ATOM 79 O VAL A 5 -1.508 -7.747 3.540 1.00 6.84 O ATOM 80 CB VAL A 5 -0.499 -5.569 1.612 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.861 -4.859 1.755 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.361 -4.521 0.832 1.00 9.13 C ATOM 0 H VAL A 5 0.806 -7.869 2.361 1.00 4.44 H new ATOM 0 HA VAL A 5 0.418 -5.132 3.499 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.521 -6.513 1.068 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.218 -4.555 0.771 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.581 -5.541 2.207 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.748 -3.979 2.388 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.124 -4.285 -0.115 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.456 -3.613 1.427 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.351 -4.934 0.640 1.00 9.13 H new ATOM 92 N LYS A 6 -1.525 -5.999 4.905 1.00 6.04 N ATOM 93 CA LYS A 6 -2.331 -6.551 5.951 1.00 6.12 C ATOM 94 C LYS A 6 -3.555 -5.676 6.238 1.00 6.57 C ATOM 95 O LYS A 6 -3.531 -4.448 6.302 1.00 5.76 O ATOM 96 CB LYS A 6 -1.531 -6.611 7.262 1.00 7.45 C ATOM 97 CG LYS A 6 -2.004 -7.499 8.421 1.00 11.12 C ATOM 98 CD LYS A 6 -0.921 -7.671 9.531 1.00 14.54 C ATOM 99 CE LYS A 6 -1.421 -8.574 10.700 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.345 -8.793 11.699 1.00 20.55 N ATOM 0 H LYS A 6 -1.339 -5.006 5.047 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.638 -7.542 5.617 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.519 -6.925 7.008 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.462 -5.592 7.644 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -2.903 -7.067 8.861 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.279 -8.480 8.033 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.022 -8.107 9.096 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.644 -6.692 9.922 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -2.281 -8.109 11.182 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.757 -9.533 10.306 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -0.702 -9.397 12.467 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.465 -9.258 11.241 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.043 -7.878 12.090 1.00 20.55 H new ATOM 114 N THR A 7 -4.778 -6.275 6.444 1.00 7.41 N ATOM 115 CA THR A 7 -6.006 -5.563 6.667 1.00 7.48 C ATOM 116 C THR A 7 -6.196 -5.361 8.189 1.00 8.75 C ATOM 117 O THR A 7 -5.391 -5.822 9.015 1.00 8.58 O ATOM 118 CB THR A 7 -7.234 -6.296 6.140 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.463 -7.575 6.723 1.00 11.78 O ATOM 120 CG2 THR A 7 -7.076 -6.448 4.654 1.00 9.17 C ATOM 0 H THR A 7 -4.897 -7.288 6.452 1.00 7.41 H new ATOM 0 HA THR A 7 -5.924 -4.619 6.128 1.00 7.48 H new ATOM 0 HB THR A 7 -8.103 -5.696 6.411 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.268 -7.974 6.331 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.942 -6.970 4.248 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.998 -5.463 4.194 1.00 9.17 H new ATOM 0 HG23 THR A 7 -6.174 -7.021 4.441 1.00 9.17 H new ATOM 128 N LEU A 8 -7.243 -4.572 8.577 1.00 9.84 N ATOM 129 CA LEU A 8 -7.574 -4.356 9.926 1.00 14.15 C ATOM 130 C LEU A 8 -7.572 -5.571 10.846 1.00 17.37 C ATOM 131 O LEU A 8 -7.012 -5.570 11.904 1.00 17.01 O ATOM 132 CB LEU A 8 -8.920 -3.746 10.083 1.00 16.63 C ATOM 133 CG LEU A 8 -9.107 -2.390 9.473 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.479 -1.820 9.910 1.00 19.31 C ATOM 135 CD2 LEU A 8 -7.958 -1.379 9.792 1.00 18.59 C ATOM 0 H LEU A 8 -7.854 -4.087 7.919 1.00 9.84 H new ATOM 0 HA LEU A 8 -6.760 -3.698 10.231 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.656 -4.422 9.647 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.143 -3.676 11.148 1.00 16.63 H new ATOM 0 HG LEU A 8 -9.075 -2.523 8.392 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.620 -0.833 9.469 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -11.274 -2.485 9.573 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.510 -1.740 10.997 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -8.171 -0.423 9.313 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -7.887 -1.237 10.870 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.013 -1.771 9.415 1.00 18.59 H new ATOM 147 N THR A 9 -8.272 -6.641 10.457 1.00 18.33 N ATOM 148 CA THR A 9 -8.326 -7.919 11.166 1.00 19.24 C ATOM 149 C THR A 9 -7.158 -8.872 10.969 1.00 19.48 C ATOM 150 O THR A 9 -6.923 -9.847 11.622 1.00 23.14 O ATOM 151 CB THR A 9 -9.662 -8.681 10.942 1.00 18.97 C ATOM 152 OG1 THR A 9 -9.950 -8.758 9.583 1.00 20.24 O ATOM 153 CG2 THR A 9 -10.686 -7.742 11.582 1.00 19.70 C ATOM 0 H THR A 9 -8.837 -6.639 9.608 1.00 18.33 H new ATOM 0 HA THR A 9 -8.252 -7.587 12.202 1.00 19.24 H new ATOM 0 HB THR A 9 -9.646 -9.695 11.342 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.793 -9.241 9.454 1.00 20.24 H new ATOM 0 HG21 THR A 9 -11.683 -8.173 11.488 1.00 19.70 H new ATOM 0 HG22 THR A 9 -10.447 -7.607 12.637 1.00 19.70 H new ATOM 0 HG23 THR A 9 -10.659 -6.776 11.078 1.00 19.70 H new ATOM 161 N GLY A 10 -6.232 -8.497 10.037 1.00 19.43 N ATOM 162 CA GLY A 10 -4.911 -9.048 9.954 1.00 18.74 C ATOM 163 C GLY A 10 -4.702 -10.037 8.782 1.00 17.62 C ATOM 164 O GLY A 10 -3.616 -10.625 8.608 1.00 19.74 O ATOM 0 H GLY A 10 -6.419 -7.790 9.327 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -4.196 -8.231 9.856 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -4.685 -9.560 10.890 1.00 18.74 H new ATOM 168 N LYS A 11 -5.680 -10.098 7.892 1.00 13.56 N ATOM 169 CA LYS A 11 -5.514 -10.788 6.616 1.00 11.91 C ATOM 170 C LYS A 11 -4.330 -10.325 5.711 1.00 10.18 C ATOM 171 O LYS A 11 -4.235 -9.173 5.303 1.00 9.10 O ATOM 172 CB LYS A 11 -6.767 -10.682 5.699 1.00 13.43 C ATOM 173 CG LYS A 11 -6.806 -11.759 4.632 1.00 16.69 C ATOM 174 CD LYS A 11 -7.905 -11.418 3.610 1.00 17.92 C ATOM 175 CE LYS A 11 -7.628 -10.249 2.683 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.814 -10.151 1.764 1.00 21.93 N ATOM 0 H LYS A 11 -6.600 -9.678 8.027 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.321 -11.800 6.973 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.666 -10.750 6.311 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.780 -9.702 5.221 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.839 -11.830 4.134 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -7.003 -12.730 5.086 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.089 -12.302 2.999 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -8.826 -11.210 4.155 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -7.497 -9.327 3.249 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.710 -10.410 2.118 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.485 -10.031 0.785 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.381 -11.020 1.835 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -9.397 -9.334 2.036 1.00 21.93 H new ATOM 190 N THR A 12 -3.395 -11.238 5.354 1.00 9.63 N ATOM 191 CA THR A 12 -2.130 -10.883 4.699 1.00 9.85 C ATOM 192 C THR A 12 -2.113 -11.179 3.188 1.00 11.66 C ATOM 193 O THR A 12 -2.486 -12.282 2.775 1.00 12.33 O ATOM 194 CB THR A 12 -0.852 -11.433 5.316 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.825 -12.881 5.389 1.00 10.91 O ATOM 196 CG2 THR A 12 -0.665 -10.894 6.696 1.00 9.63 C ATOM 0 H THR A 12 -3.504 -12.239 5.516 1.00 9.63 H new ATOM 0 HA THR A 12 -2.115 -9.807 4.874 1.00 9.85 H new ATOM 0 HB THR A 12 -0.045 -11.113 4.656 1.00 10.85 H new ATOM 0 HG1 THR A 12 0.019 -13.173 5.792 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.253 -11.297 7.123 1.00 9.63 H new ATOM 0 HG22 THR A 12 -0.600 -9.807 6.656 1.00 9.63 H new ATOM 0 HG23 THR A 12 -1.512 -11.184 7.318 1.00 9.63 H new ATOM 204 N ILE A 13 -1.664 -10.271 2.316 1.00 10.42 N ATOM 205 CA ILE A 13 -1.291 -10.650 0.983 1.00 11.84 C ATOM 206 C ILE A 13 0.138 -10.278 0.761 1.00 10.55 C ATOM 207 O ILE A 13 0.686 -9.444 1.525 1.00 11.92 O ATOM 208 CB ILE A 13 -2.178 -10.031 -0.075 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.195 -8.472 -0.109 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.618 -10.587 0.129 1.00 17.08 C ATOM 211 CD1 ILE A 13 -2.979 -7.759 -1.223 1.00 16.46 C ATOM 0 H ILE A 13 -1.556 -9.278 2.524 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.421 -11.728 0.888 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.760 -10.310 -1.042 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.592 -8.126 0.846 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.161 -8.133 -0.166 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.283 -10.158 -0.621 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.607 -11.672 0.026 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.973 -10.320 1.124 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -2.887 -6.680 -1.099 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.577 -8.049 -2.194 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.030 -8.042 -1.167 1.00 16.46 H new ATOM 223 N THR A 14 0.838 -10.878 -0.323 1.00 9.39 N ATOM 224 CA THR A 14 2.272 -10.591 -0.640 1.00 9.63 C ATOM 225 C THR A 14 2.409 -9.999 -2.016 1.00 11.20 C ATOM 226 O THR A 14 1.818 -10.455 -2.984 1.00 11.63 O ATOM 227 CB THR A 14 3.236 -11.805 -0.607 1.00 10.38 C ATOM 228 OG1 THR A 14 2.802 -12.972 -1.360 1.00 16.30 O ATOM 229 CG2 THR A 14 3.452 -12.198 0.834 1.00 11.66 C ATOM 0 H THR A 14 0.406 -11.548 -0.960 1.00 9.39 H new ATOM 0 HA THR A 14 2.560 -9.909 0.160 1.00 9.63 H new ATOM 0 HB THR A 14 4.152 -11.475 -1.098 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.474 -13.681 -1.280 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.128 -13.052 0.881 1.00 11.66 H new ATOM 0 HG22 THR A 14 3.887 -11.360 1.378 1.00 11.66 H new ATOM 0 HG23 THR A 14 2.497 -12.467 1.285 1.00 11.66 H new ATOM 237 N LEU A 15 3.203 -8.871 -2.074 1.00 8.29 N ATOM 238 CA LEU A 15 3.341 -8.060 -3.306 1.00 9.03 C ATOM 239 C LEU A 15 4.813 -8.092 -3.736 1.00 8.59 C ATOM 240 O LEU A 15 5.684 -8.209 -2.903 1.00 7.79 O ATOM 241 CB LEU A 15 2.826 -6.634 -3.208 1.00 11.08 C ATOM 242 CG LEU A 15 1.422 -6.411 -2.729 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.120 -4.941 -2.759 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.283 -7.113 -3.468 1.00 15.27 C ATOM 0 H LEU A 15 3.744 -8.521 -1.283 1.00 8.29 H new ATOM 0 HA LEU A 15 2.696 -8.513 -4.059 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.494 -6.085 -2.544 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.915 -6.181 -4.195 1.00 11.08 H new ATOM 0 HG LEU A 15 1.435 -6.859 -1.736 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.101 -4.772 -2.412 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.817 -4.413 -2.108 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.223 -4.569 -3.778 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.668 -6.852 -3.003 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.276 -6.796 -4.511 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.427 -8.192 -3.418 1.00 15.27 H new ATOM 256 N GLU A 16 4.997 -8.015 -5.048 1.00 11.04 N ATOM 257 CA GLU A 16 6.330 -7.835 -5.575 1.00 11.50 C ATOM 258 C GLU A 16 6.618 -6.387 -5.997 1.00 10.13 C ATOM 259 O GLU A 16 5.812 -5.775 -6.679 1.00 9.83 O ATOM 260 CB GLU A 16 6.482 -8.825 -6.726 1.00 17.22 C ATOM 261 CG GLU A 16 7.953 -8.932 -7.227 1.00 23.33 C ATOM 262 CD GLU A 16 8.950 -9.391 -6.142 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.661 -10.348 -5.368 1.00 28.90 O ATOM 264 OE2 GLU A 16 10.073 -8.845 -6.204 1.00 28.86 O ATOM 0 H GLU A 16 4.256 -8.073 -5.746 1.00 11.04 H new ATOM 0 HA GLU A 16 7.071 -8.033 -4.800 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.138 -9.808 -6.404 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.841 -8.518 -7.552 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.992 -9.631 -8.062 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.268 -7.961 -7.609 1.00 23.33 H new ATOM 271 N VAL A 17 7.689 -5.770 -5.456 1.00 8.99 N ATOM 272 CA VAL A 17 7.915 -4.306 -5.621 1.00 8.85 C ATOM 273 C VAL A 17 9.396 -4.060 -5.743 1.00 8.04 C ATOM 274 O VAL A 17 10.145 -4.822 -5.143 1.00 8.99 O ATOM 275 CB VAL A 17 7.402 -3.360 -4.540 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.865 -3.259 -4.444 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.978 -3.748 -3.149 1.00 10.54 C ATOM 0 H VAL A 17 8.405 -6.248 -4.908 1.00 8.99 H new ATOM 0 HA VAL A 17 7.322 -4.068 -6.504 1.00 8.85 H new ATOM 0 HB VAL A 17 7.756 -2.375 -4.844 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.595 -2.564 -3.649 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.464 -2.899 -5.392 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.449 -4.242 -4.224 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.599 -3.060 -2.393 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.673 -4.764 -2.900 1.00 10.54 H new ATOM 0 HG23 VAL A 17 9.066 -3.692 -3.177 1.00 10.54 H new ATOM 287 N GLU A 18 9.846 -3.014 -6.406 1.00 7.29 N ATOM 288 CA GLU A 18 11.163 -2.519 -6.226 1.00 7.08 C ATOM 289 C GLU A 18 11.019 -1.223 -5.436 1.00 6.45 C ATOM 290 O GLU A 18 9.995 -0.531 -5.466 1.00 5.28 O ATOM 291 CB GLU A 18 11.897 -2.286 -7.554 1.00 10.28 C ATOM 292 CG GLU A 18 12.334 -3.626 -8.288 1.00 12.65 C ATOM 293 CD GLU A 18 12.927 -3.439 -9.661 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.252 -2.845 -10.531 1.00 14.33 O ATOM 295 OE2 GLU A 18 14.102 -3.848 -9.860 1.00 18.17 O ATOM 0 H GLU A 18 9.292 -2.492 -7.085 1.00 7.29 H new ATOM 0 HA GLU A 18 11.773 -3.250 -5.695 1.00 7.08 H new ATOM 0 HB2 GLU A 18 11.252 -1.712 -8.219 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.783 -1.679 -7.367 1.00 10.28 H new ATOM 0 HG2 GLU A 18 13.061 -4.144 -7.663 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.464 -4.277 -8.371 1.00 12.65 H new ATOM 302 N PRO A 19 12.013 -0.810 -4.719 1.00 7.24 N ATOM 303 CA PRO A 19 11.993 0.484 -4.002 1.00 7.07 C ATOM 304 C PRO A 19 11.539 1.734 -4.782 1.00 6.65 C ATOM 305 O PRO A 19 11.029 2.701 -4.247 1.00 6.37 O ATOM 306 CB PRO A 19 13.434 0.623 -3.455 1.00 7.61 C ATOM 307 CG PRO A 19 13.694 -0.795 -3.038 1.00 8.16 C ATOM 308 CD PRO A 19 13.046 -1.659 -4.183 1.00 7.49 C ATOM 0 HA PRO A 19 11.215 0.453 -3.239 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.136 0.969 -4.214 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.497 1.321 -2.620 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.762 -0.993 -2.945 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.244 -1.014 -2.070 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.779 -1.926 -4.945 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.635 -2.591 -3.796 1.00 7.49 H new ATOM 316 N SER A 20 11.806 1.704 -6.085 1.00 6.80 N ATOM 317 CA SER A 20 11.406 2.809 -6.981 1.00 6.28 C ATOM 318 C SER A 20 10.000 2.787 -7.403 1.00 8.45 C ATOM 319 O SER A 20 9.511 3.740 -7.951 1.00 7.26 O ATOM 320 CB SER A 20 12.303 2.729 -8.182 1.00 8.57 C ATOM 321 OG SER A 20 13.656 2.901 -7.807 1.00 11.13 O ATOM 0 H SER A 20 12.293 0.938 -6.550 1.00 6.80 H new ATOM 0 HA SER A 20 11.508 3.744 -6.430 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.176 1.764 -8.673 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.021 3.494 -8.905 1.00 8.57 H new ATOM 0 HG SER A 20 14.226 2.844 -8.602 1.00 11.13 H new ATOM 327 N ASP A 21 9.281 1.704 -7.176 1.00 7.50 N ATOM 328 CA ASP A 21 7.807 1.668 -7.378 1.00 7.70 C ATOM 329 C ASP A 21 7.132 2.598 -6.411 1.00 7.08 C ATOM 330 O ASP A 21 7.652 2.960 -5.359 1.00 8.11 O ATOM 331 CB ASP A 21 7.269 0.183 -7.316 1.00 11.00 C ATOM 332 CG ASP A 21 7.688 -0.485 -8.591 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.335 -0.015 -9.709 1.00 18.03 O ATOM 334 OD2 ASP A 21 8.332 -1.583 -8.441 1.00 14.36 O ATOM 0 H ASP A 21 9.677 0.823 -6.849 1.00 7.50 H new ATOM 0 HA ASP A 21 7.562 2.029 -8.377 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.679 -0.341 -6.453 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.184 0.169 -7.211 1.00 11.00 H new ATOM 339 N THR A 22 6.000 3.125 -6.861 1.00 5.37 N ATOM 340 CA THR A 22 5.300 4.195 -6.231 1.00 6.01 C ATOM 341 C THR A 22 4.218 3.635 -5.434 1.00 8.01 C ATOM 342 O THR A 22 3.912 2.401 -5.582 1.00 8.11 O ATOM 343 CB THR A 22 4.768 5.389 -7.125 1.00 8.92 C ATOM 344 OG1 THR A 22 3.941 4.908 -8.180 1.00 10.22 O ATOM 345 CG2 THR A 22 5.961 6.213 -7.639 1.00 9.65 C ATOM 0 H THR A 22 5.541 2.793 -7.709 1.00 5.37 H new ATOM 0 HA THR A 22 6.065 4.691 -5.634 1.00 6.01 H new ATOM 0 HB THR A 22 4.141 6.046 -6.522 1.00 8.92 H new ATOM 0 HG1 THR A 22 4.334 4.094 -8.559 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.597 7.035 -8.255 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.519 6.613 -6.792 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.614 5.575 -8.235 1.00 9.65 H new ATOM 353 N ILE A 23 3.556 4.452 -4.576 1.00 8.32 N ATOM 354 CA ILE A 23 2.455 4.014 -3.833 1.00 9.92 C ATOM 355 C ILE A 23 1.222 3.853 -4.621 1.00 10.01 C ATOM 356 O ILE A 23 0.427 2.942 -4.393 1.00 8.71 O ATOM 357 CB ILE A 23 2.336 4.890 -2.616 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.577 4.872 -1.609 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.977 4.610 -1.885 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.668 3.559 -0.818 1.00 12.30 C ATOM 0 H ILE A 23 3.809 5.427 -4.414 1.00 8.32 H new ATOM 0 HA ILE A 23 2.624 2.991 -3.498 1.00 9.92 H new ATOM 0 HB ILE A 23 2.350 5.912 -2.996 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.500 5.020 -2.170 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.490 5.707 -0.914 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.899 5.248 -1.005 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.149 4.822 -2.562 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.937 3.564 -1.579 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.527 3.597 -0.148 1.00 12.30 H new ATOM 0 HD12 ILE A 23 2.758 3.422 -0.234 1.00 12.30 H new ATOM 0 HD13 ILE A 23 3.784 2.725 -1.510 1.00 12.30 H new ATOM 372 N GLU A 24 1.091 4.554 -5.736 1.00 9.54 N ATOM 373 CA GLU A 24 0.277 4.296 -6.887 1.00 11.81 C ATOM 374 C GLU A 24 0.489 2.867 -7.533 1.00 11.14 C ATOM 375 O GLU A 24 -0.495 2.179 -7.862 1.00 10.62 O ATOM 376 CB GLU A 24 0.399 5.354 -7.958 1.00 19.24 C ATOM 377 CG GLU A 24 -0.645 5.214 -9.160 1.00 27.76 C ATOM 378 CD GLU A 24 -0.553 6.208 -10.302 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.021 7.386 -10.127 1.00 34.80 O ATOM 380 OE2 GLU A 24 0.010 5.868 -11.390 1.00 36.51 O ATOM 0 H GLU A 24 1.621 5.417 -5.857 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.734 4.325 -6.481 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.272 6.334 -7.497 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.409 5.322 -8.367 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.540 4.213 -9.579 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.649 5.280 -8.740 1.00 27.76 H new ATOM 387 N ASN A 25 1.724 2.331 -7.623 1.00 9.43 N ATOM 388 CA ASN A 25 2.081 0.950 -7.963 1.00 10.96 C ATOM 389 C ASN A 25 1.632 -0.011 -6.927 1.00 9.68 C ATOM 390 O ASN A 25 1.173 -1.099 -7.308 1.00 9.33 O ATOM 391 CB ASN A 25 3.603 0.876 -8.317 1.00 16.78 C ATOM 392 CG ASN A 25 3.978 1.728 -9.514 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.903 2.561 -9.335 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.360 1.593 -10.692 1.00 24.70 N ATOM 0 H ASN A 25 2.553 2.898 -7.446 1.00 9.43 H new ATOM 0 HA ASN A 25 1.540 0.638 -8.856 1.00 10.96 H new ATOM 0 HB2 ASN A 25 4.187 1.196 -7.454 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.873 -0.161 -8.518 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.635 2.177 -11.482 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.614 0.906 -10.801 1.00 24.70 H new ATOM 401 N VAL A 26 1.726 0.323 -5.614 1.00 6.52 N ATOM 402 CA VAL A 26 1.246 -0.552 -4.590 1.00 5.53 C ATOM 403 C VAL A 26 -0.286 -0.726 -4.708 1.00 4.42 C ATOM 404 O VAL A 26 -0.764 -1.827 -4.706 1.00 3.40 O ATOM 405 CB VAL A 26 1.563 0.017 -3.199 1.00 3.86 C ATOM 406 CG1 VAL A 26 0.781 -0.697 -2.088 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.083 -0.127 -2.858 1.00 8.12 C ATOM 0 H VAL A 26 2.132 1.194 -5.272 1.00 6.52 H new ATOM 0 HA VAL A 26 1.742 -1.514 -4.715 1.00 5.53 H new ATOM 0 HB VAL A 26 1.274 1.067 -3.240 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.038 -0.260 -1.123 1.00 7.25 H new ATOM 0 HG12 VAL A 26 -0.288 -0.582 -2.264 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.037 -1.757 -2.086 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.274 0.285 -1.867 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.361 -1.181 -2.872 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.674 0.414 -3.596 1.00 8.12 H new ATOM 417 N LYS A 27 -1.110 0.313 -4.937 1.00 2.64 N ATOM 418 CA LYS A 27 -2.545 0.170 -5.165 1.00 4.14 C ATOM 419 C LYS A 27 -2.952 -0.520 -6.428 1.00 5.58 C ATOM 420 O LYS A 27 -4.030 -1.143 -6.502 1.00 4.11 O ATOM 421 CB LYS A 27 -3.271 1.521 -5.088 1.00 3.97 C ATOM 422 CG LYS A 27 -3.177 2.208 -3.730 1.00 7.45 C ATOM 423 CD LYS A 27 -3.754 3.664 -3.826 1.00 9.02 C ATOM 424 CE LYS A 27 -3.864 4.367 -2.488 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.412 5.697 -2.693 1.00 15.47 N ATOM 0 H LYS A 27 -0.788 1.280 -4.968 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.848 -0.489 -4.351 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.859 2.185 -5.847 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.322 1.370 -5.333 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.731 1.637 -2.985 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -2.139 2.240 -3.400 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.118 4.254 -4.485 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.741 3.624 -4.287 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -4.504 3.796 -1.815 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.884 4.433 -2.016 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -4.272 6.266 -1.834 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.928 6.153 -3.493 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -5.429 5.625 -2.899 1.00 15.47 H new ATOM 439 N ALA A 28 -2.109 -0.481 -7.464 1.00 6.61 N ATOM 440 CA ALA A 28 -2.320 -1.278 -8.650 1.00 7.74 C ATOM 441 C ALA A 28 -2.225 -2.799 -8.339 1.00 9.17 C ATOM 442 O ALA A 28 -3.056 -3.628 -8.755 1.00 11.45 O ATOM 443 CB ALA A 28 -1.318 -0.807 -9.706 1.00 7.68 C ATOM 0 H ALA A 28 -1.272 0.102 -7.493 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.329 -1.140 -9.037 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -1.450 -1.389 -10.618 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -1.486 0.248 -9.922 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.304 -0.944 -9.332 1.00 7.68 H new ATOM 449 N LYS A 29 -1.255 -3.180 -7.535 1.00 8.96 N ATOM 450 CA LYS A 29 -0.960 -4.557 -7.154 1.00 7.90 C ATOM 451 C LYS A 29 -2.052 -5.130 -6.210 1.00 6.92 C ATOM 452 O LYS A 29 -2.492 -6.226 -6.380 1.00 6.87 O ATOM 453 CB LYS A 29 0.448 -4.640 -6.538 1.00 10.28 C ATOM 454 CG LYS A 29 1.467 -4.175 -7.534 1.00 14.94 C ATOM 455 CD LYS A 29 2.908 -3.903 -6.943 1.00 19.69 C ATOM 456 CE LYS A 29 3.895 -3.492 -8.023 1.00 22.63 C ATOM 457 NZ LYS A 29 4.365 -4.603 -8.837 1.00 24.98 N ATOM 0 H LYS A 29 -0.617 -2.510 -7.105 1.00 8.96 H new ATOM 0 HA LYS A 29 -0.971 -5.181 -8.048 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.498 -4.026 -5.639 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.663 -5.665 -6.236 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.550 -4.924 -8.322 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.104 -3.259 -8.001 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.849 -3.119 -6.188 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.271 -4.801 -6.442 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.425 -2.752 -8.670 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.752 -3.008 -7.555 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.925 -4.237 -9.634 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.957 -5.232 -8.258 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.549 -5.135 -9.202 1.00 24.98 H new ATOM 471 N ILE A 30 -2.503 -4.365 -5.152 1.00 4.57 N ATOM 472 CA ILE A 30 -3.568 -4.731 -4.245 1.00 5.58 C ATOM 473 C ILE A 30 -4.873 -4.845 -5.015 1.00 7.26 C ATOM 474 O ILE A 30 -5.539 -5.860 -4.905 1.00 9.46 O ATOM 475 CB ILE A 30 -3.751 -3.791 -3.044 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.503 -3.575 -2.214 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.916 -4.314 -2.142 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.665 -2.467 -1.117 1.00 2.00 C ATOM 0 H ILE A 30 -2.098 -3.455 -4.933 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.275 -5.690 -3.818 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.992 -2.813 -3.461 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.229 -4.514 -1.733 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.680 -3.303 -2.875 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.045 -3.646 -1.290 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.839 -4.345 -2.721 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.678 -5.316 -1.785 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.733 -2.366 -0.561 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.908 -1.517 -1.593 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.467 -2.746 -0.433 1.00 2.00 H new ATOM 490 N GLN A 31 -5.256 -3.792 -5.777 1.00 7.06 N ATOM 491 CA GLN A 31 -6.392 -3.792 -6.670 1.00 8.67 C ATOM 492 C GLN A 31 -6.471 -5.009 -7.539 1.00 10.90 C ATOM 493 O GLN A 31 -7.492 -5.712 -7.582 1.00 9.63 O ATOM 494 CB GLN A 31 -6.375 -2.608 -7.601 1.00 9.12 C ATOM 495 CG GLN A 31 -7.552 -2.543 -8.621 1.00 10.76 C ATOM 496 CD GLN A 31 -7.610 -1.115 -9.206 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.775 -0.217 -8.890 1.00 14.48 O ATOM 498 NE2 GLN A 31 -8.560 -0.824 -10.090 1.00 14.76 N ATOM 0 H GLN A 31 -4.755 -2.904 -5.772 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.251 -3.761 -6.000 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.384 -1.697 -7.003 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.436 -2.616 -8.155 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.405 -3.273 -9.417 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.493 -2.791 -8.130 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.242 -1.534 -10.358 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -8.606 0.109 -10.500 1.00 14.76 H new ATOM 507 N ASP A 32 -5.322 -5.359 -8.175 1.00 10.93 N ATOM 508 CA ASP A 32 -5.197 -6.547 -9.061 1.00 14.01 C ATOM 509 C ASP A 32 -5.607 -7.869 -8.391 1.00 14.04 C ATOM 510 O ASP A 32 -6.290 -8.712 -8.993 1.00 13.39 O ATOM 511 CB ASP A 32 -3.767 -6.624 -9.728 1.00 18.01 C ATOM 512 CG ASP A 32 -3.715 -7.594 -10.864 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.273 -7.391 -11.933 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.998 -8.637 -10.738 1.00 26.29 O ATOM 0 H ASP A 32 -4.457 -4.826 -8.088 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.924 -6.403 -9.860 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.483 -5.634 -10.087 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.034 -6.912 -8.975 1.00 18.01 H new ATOM 519 N LYS A 33 -5.254 -8.089 -7.078 1.00 14.22 N ATOM 520 CA LYS A 33 -5.544 -9.278 -6.334 1.00 14.00 C ATOM 521 C LYS A 33 -6.863 -9.202 -5.621 1.00 12.37 C ATOM 522 O LYS A 33 -7.606 -10.205 -5.487 1.00 12.17 O ATOM 523 CB LYS A 33 -4.410 -9.470 -5.241 1.00 18.62 C ATOM 524 CG LYS A 33 -2.981 -9.749 -5.758 1.00 24.00 C ATOM 525 CD LYS A 33 -2.176 -10.453 -4.662 1.00 27.61 C ATOM 526 CE LYS A 33 -0.709 -10.508 -5.006 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.439 -11.264 -6.261 1.00 30.06 N ATOM 0 H LYS A 33 -4.745 -7.396 -6.530 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.586 -10.109 -7.038 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.378 -8.572 -4.624 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.702 -10.294 -4.590 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -3.020 -10.370 -6.653 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.495 -8.815 -6.040 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.310 -9.928 -3.716 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.557 -11.465 -4.522 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.326 -9.493 -5.109 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.165 -10.972 -4.183 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.586 -11.299 -6.431 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.808 -12.232 -6.169 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.906 -10.789 -7.060 1.00 30.06 H new ATOM 541 N GLU A 34 -7.233 -8.043 -5.162 1.00 10.11 N ATOM 542 CA GLU A 34 -8.298 -7.959 -4.134 1.00 10.07 C ATOM 543 C GLU A 34 -9.508 -7.298 -4.628 1.00 9.32 C ATOM 544 O GLU A 34 -10.540 -7.460 -4.020 1.00 11.61 O ATOM 545 CB GLU A 34 -7.779 -7.153 -2.915 1.00 14.77 C ATOM 546 CG GLU A 34 -6.662 -7.928 -2.155 1.00 18.75 C ATOM 547 CD GLU A 34 -7.231 -9.257 -1.595 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.140 -9.174 -0.703 1.00 25.19 O ATOM 549 OE2 GLU A 34 -6.782 -10.341 -1.981 1.00 21.95 O ATOM 0 H GLU A 34 -6.842 -7.148 -5.456 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.552 -8.983 -3.860 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.392 -6.191 -3.251 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.606 -6.945 -2.236 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.828 -8.133 -2.826 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.273 -7.317 -1.341 1.00 18.75 H new ATOM 556 N GLY A 35 -9.458 -6.689 -5.808 1.00 7.22 N ATOM 557 CA GLY A 35 -10.690 -6.205 -6.480 1.00 6.29 C ATOM 558 C GLY A 35 -11.048 -4.850 -5.958 1.00 6.93 C ATOM 559 O GLY A 35 -12.121 -4.392 -6.365 1.00 7.41 O ATOM 0 H GLY A 35 -8.596 -6.514 -6.325 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.535 -6.161 -7.558 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.510 -6.902 -6.304 1.00 6.29 H new ATOM 563 N ILE A 36 -10.194 -4.297 -5.088 1.00 5.86 N ATOM 564 CA ILE A 36 -10.548 -3.012 -4.490 1.00 6.07 C ATOM 565 C ILE A 36 -10.105 -1.800 -5.398 1.00 6.36 C ATOM 566 O ILE A 36 -8.988 -1.768 -5.891 1.00 6.18 O ATOM 567 CB ILE A 36 -9.794 -2.799 -3.166 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.013 -3.931 -2.147 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.273 -1.483 -2.516 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.366 -3.642 -0.747 1.00 9.49 C ATOM 0 H ILE A 36 -9.301 -4.695 -4.796 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.630 -3.041 -4.357 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.733 -2.775 -3.416 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.083 -4.092 -2.018 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.597 -4.856 -2.547 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.742 -1.327 -1.577 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.072 -0.650 -3.190 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.344 -1.542 -2.322 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.558 -4.480 -0.077 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.290 -3.510 -0.864 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.799 -2.735 -0.326 1.00 9.49 H new ATOM 582 N PRO A 37 -10.892 -0.729 -5.668 1.00 8.65 N ATOM 583 CA PRO A 37 -10.395 0.450 -6.431 1.00 9.18 C ATOM 584 C PRO A 37 -9.361 1.420 -5.700 1.00 9.85 C ATOM 585 O PRO A 37 -9.233 1.348 -4.481 1.00 8.51 O ATOM 586 CB PRO A 37 -11.662 1.236 -6.839 1.00 11.42 C ATOM 587 CG PRO A 37 -12.738 0.144 -6.784 1.00 9.27 C ATOM 588 CD PRO A 37 -12.326 -0.821 -5.648 1.00 8.33 C ATOM 0 HA PRO A 37 -9.801 0.068 -7.261 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.875 2.055 -6.152 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.571 1.671 -7.834 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.720 0.576 -6.589 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.805 -0.383 -7.736 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.739 -0.516 -4.686 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.670 -1.838 -5.835 1.00 8.33 H new ATOM 596 N PRO A 38 -8.547 2.264 -6.283 1.00 8.71 N ATOM 597 CA PRO A 38 -7.400 2.881 -5.632 1.00 9.08 C ATOM 598 C PRO A 38 -7.851 3.925 -4.605 1.00 9.28 C ATOM 599 O PRO A 38 -7.180 4.288 -3.666 1.00 6.50 O ATOM 600 CB PRO A 38 -6.530 3.416 -6.795 1.00 10.31 C ATOM 601 CG PRO A 38 -7.483 3.524 -7.942 1.00 10.81 C ATOM 602 CD PRO A 38 -8.398 2.344 -7.741 1.00 12.00 C ATOM 0 HA PRO A 38 -6.807 2.193 -5.029 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.088 4.382 -6.551 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.707 2.738 -7.022 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -8.031 4.466 -7.923 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -6.967 3.475 -8.901 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -9.359 2.493 -8.234 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.968 1.430 -8.150 1.00 12.00 H new ATOM 610 N ASP A 39 -9.128 4.506 -4.719 1.00 11.20 N ATOM 611 CA ASP A 39 -9.694 5.509 -3.927 1.00 14.96 C ATOM 612 C ASP A 39 -10.633 4.890 -2.813 1.00 13.99 C ATOM 613 O ASP A 39 -11.353 5.534 -2.072 1.00 13.75 O ATOM 614 CB ASP A 39 -10.504 6.455 -4.789 1.00 24.16 C ATOM 615 CG ASP A 39 -9.666 7.061 -5.907 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.634 7.746 -5.599 1.00 35.55 O ATOM 617 OD2 ASP A 39 -10.079 6.906 -7.107 1.00 34.22 O ATOM 0 H ASP A 39 -9.772 4.203 -5.450 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.883 6.052 -3.442 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.351 5.920 -5.219 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.913 7.252 -4.168 1.00 24.16 H new ATOM 622 N GLN A 40 -10.653 3.527 -2.705 1.00 11.60 N ATOM 623 CA GLN A 40 -11.218 2.825 -1.592 1.00 10.76 C ATOM 624 C GLN A 40 -10.070 2.298 -0.812 1.00 8.01 C ATOM 625 O GLN A 40 -10.215 1.490 0.102 1.00 8.96 O ATOM 626 CB GLN A 40 -12.151 1.681 -2.135 1.00 11.14 C ATOM 627 CG GLN A 40 -13.420 2.223 -2.801 1.00 14.85 C ATOM 628 CD GLN A 40 -14.424 1.114 -3.335 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.469 0.044 -2.722 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.139 1.457 -4.423 1.00 18.16 N ATOM 0 H GLN A 40 -10.263 2.910 -3.417 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.833 3.459 -0.953 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.598 1.076 -2.854 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.430 1.023 -1.312 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.947 2.854 -2.085 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.130 2.861 -3.636 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.015 2.377 -4.846 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.805 0.797 -4.825 1.00 18.16 H new ATOM 639 N GLN A 41 -8.786 2.739 -0.997 1.00 6.52 N ATOM 640 CA GLN A 41 -7.597 2.363 -0.195 1.00 3.87 C ATOM 641 C GLN A 41 -7.011 3.591 0.503 1.00 4.79 C ATOM 642 O GLN A 41 -6.861 4.604 -0.186 1.00 6.34 O ATOM 643 CB GLN A 41 -6.566 1.686 -1.149 1.00 4.20 C ATOM 644 CG GLN A 41 -7.112 0.393 -1.794 1.00 3.20 C ATOM 645 CD GLN A 41 -6.097 -0.227 -2.772 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.945 -0.519 -2.496 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.580 -0.477 -4.045 1.00 7.13 N ATOM 0 H GLN A 41 -8.552 3.394 -1.743 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.871 1.660 0.592 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.287 2.389 -1.934 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.659 1.454 -0.591 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.354 -0.329 -1.014 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -8.039 0.613 -2.323 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.542 -0.235 -4.282 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.974 -0.903 -4.746 1.00 7.13 H new ATOM 656 N ARG A 42 -6.704 3.513 1.791 1.00 5.73 N ATOM 657 CA ARG A 42 -5.723 4.393 2.488 1.00 6.97 C ATOM 658 C ARG A 42 -4.582 3.506 3.005 1.00 7.15 C ATOM 659 O ARG A 42 -4.827 2.309 3.298 1.00 7.33 O ATOM 660 CB ARG A 42 -6.307 5.079 3.716 1.00 13.23 C ATOM 661 CG ARG A 42 -7.435 6.117 3.388 1.00 21.27 C ATOM 662 CD ARG A 42 -7.690 7.097 4.587 1.00 26.14 C ATOM 663 NE ARG A 42 -8.410 8.343 4.097 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.732 8.589 4.211 1.00 34.32 C ATOM 665 NH1 ARG A 42 -10.606 7.758 4.759 1.00 35.30 N ATOM 666 NH2 ARG A 42 -10.213 9.725 3.737 1.00 36.39 N ATOM 0 H ARG A 42 -7.130 2.825 2.412 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.407 5.153 1.773 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.709 4.320 4.387 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.505 5.586 4.253 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -7.156 6.689 2.503 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -8.357 5.588 3.148 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.286 6.600 5.353 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.742 7.373 5.050 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.843 9.058 3.641 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -10.293 6.861 5.131 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -11.592 8.015 4.809 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -9.588 10.398 3.294 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -11.210 9.928 3.814 1.00 36.39 H new ATOM 680 N LEU A 43 -3.345 4.002 3.149 1.00 4.65 N ATOM 681 CA LEU A 43 -2.229 3.188 3.469 1.00 3.51 C ATOM 682 C LEU A 43 -1.320 3.887 4.531 1.00 5.56 C ATOM 683 O LEU A 43 -1.162 5.126 4.464 1.00 4.19 O ATOM 684 CB LEU A 43 -1.432 2.971 2.139 1.00 3.74 C ATOM 685 CG LEU A 43 -2.090 2.096 1.040 1.00 6.32 C ATOM 686 CD1 LEU A 43 -1.306 2.164 -0.229 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.281 0.658 1.558 1.00 6.41 C ATOM 0 H LEU A 43 -3.119 4.991 3.040 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.555 2.239 3.894 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -1.224 3.951 1.708 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.471 2.524 2.393 1.00 3.74 H new ATOM 0 HG LEU A 43 -3.081 2.485 0.806 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.785 1.543 -0.986 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -1.267 3.196 -0.578 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -0.293 1.802 -0.051 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.744 0.050 0.781 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.312 0.234 1.822 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.923 0.671 2.439 1.00 6.41 H new ATOM 699 N ILE A 44 -0.936 3.071 5.571 1.00 4.58 N ATOM 700 CA ILE A 44 -0.112 3.588 6.695 1.00 5.55 C ATOM 701 C ILE A 44 1.113 2.750 6.719 1.00 5.46 C ATOM 702 O ILE A 44 1.016 1.515 6.741 1.00 6.04 O ATOM 703 CB ILE A 44 -0.915 3.526 8.007 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.244 4.249 7.891 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.020 4.243 9.068 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.360 3.456 7.278 1.00 13.90 C ATOM 0 H ILE A 44 -1.181 2.084 5.644 1.00 4.58 H new ATOM 0 HA ILE A 44 0.164 4.635 6.572 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.146 2.494 8.271 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.552 4.567 8.887 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.096 5.152 7.299 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.526 4.239 10.033 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.932 3.719 9.155 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.160 5.272 8.757 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.263 4.066 7.243 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.083 3.159 6.266 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -3.546 2.566 7.879 1.00 13.90 H new ATOM 718 N PHE A 45 2.350 3.336 6.811 1.00 6.75 N ATOM 719 CA PHE A 45 3.519 2.592 7.172 1.00 4.70 C ATOM 720 C PHE A 45 4.377 3.368 8.199 1.00 6.34 C ATOM 721 O PHE A 45 4.885 4.466 7.883 1.00 5.45 O ATOM 722 CB PHE A 45 4.331 2.201 5.970 1.00 5.51 C ATOM 723 CG PHE A 45 5.607 1.422 6.392 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.603 0.061 6.678 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.840 2.076 6.532 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.667 -0.632 7.245 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.952 1.412 7.069 1.00 6.64 C ATOM 728 CZ PHE A 45 7.858 0.060 7.451 1.00 6.84 C ATOM 0 H PHE A 45 2.523 4.325 6.632 1.00 6.75 H new ATOM 0 HA PHE A 45 3.181 1.669 7.643 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.728 1.585 5.304 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.613 3.093 5.411 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.709 -0.498 6.443 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.934 3.106 6.222 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.573 -1.673 7.517 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.886 1.941 7.190 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.704 -0.437 7.901 1.00 6.84 H new ATOM 738 N ALA A 46 4.596 2.794 9.352 1.00 6.53 N ATOM 739 CA ALA A 46 5.322 3.339 10.450 1.00 7.15 C ATOM 740 C ALA A 46 4.673 4.593 10.924 1.00 9.00 C ATOM 741 O ALA A 46 5.379 5.573 11.258 1.00 11.15 O ATOM 742 CB ALA A 46 6.831 3.618 10.092 1.00 8.99 C ATOM 0 H ALA A 46 4.240 1.860 9.555 1.00 6.53 H new ATOM 0 HA ALA A 46 5.308 2.594 11.246 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.341 4.033 10.962 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.314 2.686 9.799 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.884 4.329 9.267 1.00 8.99 H new ATOM 748 N GLY A 47 3.321 4.648 11.081 1.00 9.35 N ATOM 749 CA GLY A 47 2.652 5.801 11.674 1.00 11.68 C ATOM 750 C GLY A 47 2.501 6.962 10.735 1.00 11.14 C ATOM 751 O GLY A 47 2.131 8.042 11.161 1.00 13.93 O ATOM 0 H GLY A 47 2.689 3.899 10.800 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.665 5.497 12.023 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.214 6.125 12.550 1.00 11.68 H new ATOM 755 N LYS A 48 2.919 6.745 9.452 1.00 10.47 N ATOM 756 CA LYS A 48 2.834 7.738 8.321 1.00 8.82 C ATOM 757 C LYS A 48 1.937 7.295 7.201 1.00 7.68 C ATOM 758 O LYS A 48 2.099 6.252 6.569 1.00 6.47 O ATOM 759 CB LYS A 48 4.264 8.013 7.775 1.00 9.74 C ATOM 760 CG LYS A 48 4.291 9.097 6.630 1.00 14.14 C ATOM 761 CD LYS A 48 5.726 9.289 6.084 1.00 16.32 C ATOM 762 CE LYS A 48 6.681 9.803 7.182 1.00 20.04 C ATOM 763 NZ LYS A 48 7.937 10.209 6.619 1.00 23.92 N ATOM 0 H LYS A 48 3.334 5.859 9.163 1.00 10.47 H new ATOM 0 HA LYS A 48 2.391 8.647 8.727 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.902 8.343 8.595 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.687 7.083 7.396 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.627 8.793 5.820 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.913 10.045 7.013 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.097 8.343 5.690 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.710 9.995 5.254 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.223 10.643 7.704 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.846 9.020 7.922 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.563 10.551 7.376 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.382 9.399 6.142 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.778 10.972 5.930 1.00 23.92 H new ATOM 777 N GLN A 49 1.023 8.208 6.786 1.00 8.89 N ATOM 778 CA GLN A 49 0.014 8.055 5.737 1.00 7.18 C ATOM 779 C GLN A 49 0.614 8.146 4.368 1.00 8.23 C ATOM 780 O GLN A 49 1.213 9.181 4.011 1.00 9.70 O ATOM 781 CB GLN A 49 -1.171 9.040 5.962 1.00 11.67 C ATOM 782 CG GLN A 49 -2.020 8.708 7.279 1.00 15.82 C ATOM 783 CD GLN A 49 -3.352 9.470 7.306 1.00 20.21 C ATOM 784 OE1 GLN A 49 -3.633 10.356 8.147 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.259 9.037 6.383 1.00 20.67 N ATOM 0 H GLN A 49 0.979 9.133 7.214 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.401 7.049 5.804 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -0.783 10.056 6.033 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.830 9.011 5.094 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.213 7.636 7.326 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -1.436 8.966 8.162 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.999 8.314 5.712 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.197 9.436 6.364 1.00 20.67 H new ATOM 794 N LEU A 50 0.495 7.099 3.564 1.00 6.51 N ATOM 795 CA LEU A 50 1.232 6.996 2.323 1.00 7.41 C ATOM 796 C LEU A 50 0.501 7.652 1.127 1.00 8.27 C ATOM 797 O LEU A 50 -0.704 7.541 0.974 1.00 8.34 O ATOM 798 CB LEU A 50 1.632 5.561 1.925 1.00 7.13 C ATOM 799 CG LEU A 50 2.376 4.702 3.041 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.539 3.239 2.694 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.752 5.257 3.463 1.00 9.11 C ATOM 0 H LEU A 50 -0.113 6.303 3.757 1.00 6.51 H new ATOM 0 HA LEU A 50 2.146 7.547 2.542 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.731 5.025 1.625 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.278 5.616 1.048 1.00 7.13 H new ATOM 0 HG LEU A 50 1.691 4.790 3.885 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.055 2.728 3.507 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.557 2.788 2.547 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.122 3.145 1.778 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.187 4.611 4.226 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.412 5.290 2.596 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.631 6.263 3.866 1.00 9.11 H new ATOM 813 N GLU A 51 1.207 8.375 0.312 1.00 9.43 N ATOM 814 CA GLU A 51 0.598 9.180 -0.770 1.00 11.90 C ATOM 815 C GLU A 51 1.104 8.827 -2.178 1.00 11.49 C ATOM 816 O GLU A 51 2.278 8.747 -2.490 1.00 9.88 O ATOM 817 CB GLU A 51 0.822 10.712 -0.599 1.00 16.56 C ATOM 818 CG GLU A 51 0.326 11.353 0.717 1.00 26.06 C ATOM 819 CD GLU A 51 0.590 12.795 0.816 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.828 13.140 0.826 1.00 33.44 O ATOM 821 OE2 GLU A 51 -0.378 13.608 0.773 1.00 32.13 O ATOM 0 H GLU A 51 2.224 8.442 0.356 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.459 8.929 -0.680 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.890 10.910 -0.690 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.331 11.220 -1.429 1.00 16.56 H new ATOM 0 HG2 GLU A 51 -0.747 11.183 0.810 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.803 10.848 1.557 1.00 26.06 H new ATOM 828 N ASP A 52 0.135 8.563 -3.055 1.00 12.71 N ATOM 829 CA ASP A 52 0.271 7.909 -4.335 1.00 16.56 C ATOM 830 C ASP A 52 1.499 8.179 -5.249 1.00 15.83 C ATOM 831 O ASP A 52 2.101 7.218 -5.718 1.00 17.21 O ATOM 832 CB ASP A 52 -1.044 8.217 -5.034 1.00 21.05 C ATOM 833 CG ASP A 52 -2.301 7.778 -4.368 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.678 8.368 -3.266 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.939 6.880 -4.824 1.00 25.82 O ATOM 0 H ASP A 52 -0.832 8.824 -2.865 1.00 12.71 H new ATOM 0 HA ASP A 52 0.485 6.860 -4.131 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.101 9.296 -5.181 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.012 7.762 -6.024 1.00 21.05 H new ATOM 840 N GLY A 53 1.872 9.428 -5.469 1.00 15.00 N ATOM 841 CA GLY A 53 3.082 9.719 -6.352 1.00 11.77 C ATOM 842 C GLY A 53 4.366 9.558 -5.687 1.00 11.10 C ATOM 843 O GLY A 53 5.372 9.649 -6.369 1.00 11.25 O ATOM 0 H GLY A 53 1.406 10.251 -5.087 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.051 9.059 -7.219 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.006 10.740 -6.726 1.00 11.77 H new ATOM 847 N ARG A 54 4.473 9.350 -4.400 1.00 8.53 N ATOM 848 CA ARG A 54 5.689 9.000 -3.679 1.00 9.05 C ATOM 849 C ARG A 54 6.153 7.542 -3.840 1.00 8.96 C ATOM 850 O ARG A 54 5.376 6.665 -4.216 1.00 11.60 O ATOM 851 CB ARG A 54 5.517 9.353 -2.188 1.00 7.97 C ATOM 852 CG ARG A 54 5.304 10.847 -1.852 1.00 9.62 C ATOM 853 CD ARG A 54 6.594 11.659 -2.029 1.00 12.20 C ATOM 854 NE ARG A 54 6.188 13.039 -1.533 1.00 18.23 N ATOM 855 CZ ARG A 54 7.056 14.099 -1.431 1.00 22.08 C ATOM 856 NH1 ARG A 54 8.353 14.047 -1.628 1.00 25.50 N ATOM 857 NH2 ARG A 54 6.550 15.239 -0.893 1.00 23.38 N ATOM 0 H ARG A 54 3.666 9.423 -3.780 1.00 8.53 H new ATOM 0 HA ARG A 54 6.485 9.591 -4.132 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.667 8.792 -1.801 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.400 9.005 -1.651 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.525 11.257 -2.495 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.952 10.942 -0.825 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.417 11.245 -1.446 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.919 11.682 -3.069 1.00 12.20 H new ATOM 0 HE ARG A 54 5.216 13.185 -1.261 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.796 13.163 -1.880 1.00 25.50 H new ATOM 0 HH12 ARG A 54 8.918 14.890 -1.529 1.00 25.50 H new ATOM 0 HH21 ARG A 54 5.576 15.272 -0.592 1.00 23.38 H new ATOM 0 HH22 ARG A 54 7.144 16.062 -0.790 1.00 23.38 H new ATOM 871 N THR A 55 7.535 7.250 -3.671 1.00 9.05 N ATOM 872 CA THR A 55 8.141 5.964 -3.845 1.00 9.03 C ATOM 873 C THR A 55 8.200 5.267 -2.472 1.00 8.15 C ATOM 874 O THR A 55 8.013 5.825 -1.410 1.00 5.91 O ATOM 875 CB THR A 55 9.540 5.969 -4.407 1.00 11.15 C ATOM 876 OG1 THR A 55 10.438 6.741 -3.667 1.00 11.95 O ATOM 877 CG2 THR A 55 9.544 6.492 -5.863 1.00 11.71 C ATOM 0 H THR A 55 8.209 7.967 -3.404 1.00 9.05 H new ATOM 0 HA THR A 55 7.519 5.450 -4.578 1.00 9.03 H new ATOM 0 HB THR A 55 9.870 4.931 -4.362 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.127 7.670 -3.641 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.564 6.487 -6.249 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.919 5.849 -6.482 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.153 7.509 -5.885 1.00 11.71 H new ATOM 885 N LEU A 56 8.416 3.966 -2.544 1.00 6.91 N ATOM 886 CA LEU A 56 8.792 3.221 -1.348 1.00 8.29 C ATOM 887 C LEU A 56 10.175 3.750 -0.775 1.00 8.05 C ATOM 888 O LEU A 56 10.317 3.970 0.449 1.00 10.17 O ATOM 889 CB LEU A 56 8.795 1.679 -1.634 1.00 6.60 C ATOM 890 CG LEU A 56 7.423 1.118 -1.916 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.582 -0.185 -2.788 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.744 0.739 -0.658 1.00 8.64 C ATOM 0 H LEU A 56 8.341 3.410 -3.396 1.00 6.91 H new ATOM 0 HA LEU A 56 8.047 3.390 -0.571 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.444 1.476 -2.486 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.223 1.159 -0.777 1.00 6.60 H new ATOM 0 HG LEU A 56 6.835 1.877 -2.433 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.598 -0.603 -3.001 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.081 0.063 -3.725 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.177 -0.917 -2.243 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.756 0.337 -0.884 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.334 -0.017 -0.140 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.641 1.618 -0.021 1.00 8.64 H new ATOM 904 N SER A 57 11.221 3.996 -1.639 1.00 8.92 N ATOM 905 CA SER A 57 12.464 4.604 -1.231 1.00 9.00 C ATOM 906 C SER A 57 12.365 5.871 -0.414 1.00 9.44 C ATOM 907 O SER A 57 12.978 5.991 0.686 1.00 10.91 O ATOM 908 CB SER A 57 13.324 5.027 -2.518 1.00 10.32 C ATOM 909 OG SER A 57 14.750 5.192 -2.440 1.00 13.59 O ATOM 0 H SER A 57 11.188 3.764 -2.632 1.00 8.92 H new ATOM 0 HA SER A 57 12.910 3.827 -0.610 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.132 4.280 -3.289 1.00 10.32 H new ATOM 0 HB3 SER A 57 12.914 5.970 -2.879 1.00 10.32 H new ATOM 0 HG SER A 57 15.098 5.448 -3.319 1.00 13.59 H new ATOM 915 N ASP A 58 11.523 6.913 -0.785 1.00 9.11 N ATOM 916 CA ASP A 58 11.256 8.121 0.029 1.00 7.91 C ATOM 917 C ASP A 58 10.946 7.943 1.554 1.00 9.12 C ATOM 918 O ASP A 58 11.457 8.661 2.405 1.00 8.61 O ATOM 919 CB ASP A 58 9.963 8.792 -0.598 1.00 8.41 C ATOM 920 CG ASP A 58 10.174 9.486 -1.911 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.056 10.363 -2.005 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.556 9.024 -2.907 1.00 11.70 O ATOM 0 H ASP A 58 11.017 6.914 -1.671 1.00 9.11 H new ATOM 0 HA ASP A 58 12.187 8.687 -0.003 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.202 8.023 -0.731 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.566 9.513 0.116 1.00 8.41 H new ATOM 927 N TYR A 59 10.204 6.933 1.881 1.00 7.97 N ATOM 928 CA TYR A 59 9.717 6.658 3.188 1.00 8.45 C ATOM 929 C TYR A 59 10.522 5.597 3.940 1.00 10.98 C ATOM 930 O TYR A 59 10.165 5.241 5.034 1.00 12.95 O ATOM 931 CB TYR A 59 8.306 6.098 3.051 1.00 7.94 C ATOM 932 CG TYR A 59 7.300 6.993 2.385 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.954 8.269 2.952 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.550 6.536 1.325 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.857 8.924 2.506 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.539 7.315 0.733 1.00 6.52 C ATOM 937 CZ TYR A 59 5.181 8.487 1.347 1.00 6.76 C ATOM 938 OH TYR A 59 4.128 9.299 0.868 1.00 7.63 O ATOM 0 H TYR A 59 9.906 6.238 1.197 1.00 7.97 H new ATOM 0 HA TYR A 59 9.778 7.593 3.746 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.360 5.166 2.489 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.938 5.849 4.046 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.566 8.702 3.729 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.744 5.548 0.935 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.496 9.789 3.042 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.058 6.998 -0.181 1.00 6.52 H new ATOM 0 HH TYR A 59 4.178 10.182 1.290 1.00 7.63 H new ATOM 948 N ASN A 60 11.560 5.071 3.260 1.00 12.38 N ATOM 949 CA ASN A 60 12.428 4.023 3.866 1.00 13.94 C ATOM 950 C ASN A 60 11.771 2.668 4.024 1.00 14.16 C ATOM 951 O ASN A 60 11.904 1.991 5.081 1.00 14.26 O ATOM 952 CB ASN A 60 13.167 4.440 5.203 1.00 19.23 C ATOM 953 CG ASN A 60 13.854 5.810 4.987 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.494 6.839 5.553 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.940 5.679 4.166 1.00 24.09 N ATOM 0 H ASN A 60 11.820 5.342 2.312 1.00 12.38 H new ATOM 0 HA ASN A 60 13.201 3.922 3.104 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.454 4.501 6.025 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.905 3.686 5.477 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.536 6.485 3.977 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.154 4.776 3.743 1.00 24.09 H new ATOM 962 N ILE A 61 11.028 2.154 3.087 1.00 11.08 N ATOM 963 CA ILE A 61 10.259 0.911 3.180 1.00 11.78 C ATOM 964 C ILE A 61 11.047 -0.257 2.538 1.00 13.74 C ATOM 965 O ILE A 61 11.452 -0.295 1.416 1.00 14.60 O ATOM 966 CB ILE A 61 8.866 1.123 2.528 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.161 2.275 3.227 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.071 -0.189 2.691 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.842 2.820 2.623 1.00 11.42 C ATOM 0 H ILE A 61 10.926 2.605 2.178 1.00 11.08 H new ATOM 0 HA ILE A 61 10.100 0.643 4.224 1.00 11.78 H new ATOM 0 HB ILE A 61 8.954 1.369 1.470 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.951 1.962 4.250 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.865 3.105 3.286 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.084 -0.075 2.242 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.603 -1.001 2.195 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.963 -0.420 3.751 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.470 3.637 3.240 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.028 3.184 1.612 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.100 2.022 2.591 1.00 11.42 H new ATOM 981 N GLN A 62 11.487 -1.254 3.380 1.00 13.97 N ATOM 982 CA GLN A 62 12.431 -2.288 3.013 1.00 15.52 C ATOM 983 C GLN A 62 11.605 -3.581 2.805 1.00 13.94 C ATOM 984 O GLN A 62 10.396 -3.635 2.952 1.00 12.15 O ATOM 985 CB GLN A 62 13.489 -2.388 4.076 1.00 19.53 C ATOM 986 CG GLN A 62 14.319 -1.096 4.208 1.00 26.38 C ATOM 987 CD GLN A 62 15.200 -1.087 5.478 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.368 -0.771 5.428 1.00 33.23 O ATOM 989 NE2 GLN A 62 14.473 -1.267 6.624 1.00 32.71 N ATOM 0 H GLN A 62 11.168 -1.332 4.346 1.00 13.97 H new ATOM 0 HA GLN A 62 12.970 -2.079 2.089 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.018 -2.612 5.033 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.154 -3.221 3.845 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.953 -0.984 3.329 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.648 -0.237 4.229 1.00 26.38 H new ATOM 0 HE21 GLN A 62 13.490 -1.534 6.568 1.00 32.71 H new ATOM 0 HE22 GLN A 62 14.914 -1.134 7.534 1.00 32.71 H new ATOM 998 N LYS A 63 12.314 -4.637 2.284 1.00 11.73 N ATOM 999 CA LYS A 63 11.806 -5.982 2.221 1.00 11.97 C ATOM 1000 C LYS A 63 10.961 -6.475 3.401 1.00 10.41 C ATOM 1001 O LYS A 63 11.130 -6.002 4.521 1.00 9.59 O ATOM 1002 CB LYS A 63 13.030 -6.885 2.000 1.00 13.73 C ATOM 1003 CG LYS A 63 12.782 -8.369 1.870 1.00 16.98 C ATOM 1004 CD LYS A 63 14.058 -9.096 1.359 1.00 20.19 C ATOM 1005 CE LYS A 63 13.713 -10.605 1.560 1.00 23.42 C ATOM 1006 NZ LYS A 63 14.855 -11.472 1.128 1.00 25.97 N ATOM 0 H LYS A 63 13.255 -4.540 1.904 1.00 11.73 H new ATOM 0 HA LYS A 63 11.080 -6.013 1.408 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.539 -6.548 1.097 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.718 -6.730 2.831 1.00 13.73 H new ATOM 0 HG2 LYS A 63 12.485 -8.779 2.835 1.00 16.98 H new ATOM 0 HG3 LYS A 63 11.956 -8.546 1.181 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.261 -8.865 0.313 1.00 20.19 H new ATOM 0 HD3 LYS A 63 14.942 -8.806 1.927 1.00 20.19 H new ATOM 0 HE2 LYS A 63 13.483 -10.794 2.609 1.00 23.42 H new ATOM 0 HE3 LYS A 63 12.821 -10.858 0.987 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 14.605 -12.472 1.270 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 15.056 -11.305 0.121 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 15.698 -11.242 1.692 1.00 25.97 H new ATOM 1020 N GLU A 64 9.933 -7.278 3.086 1.00 10.04 N ATOM 1021 CA GLU A 64 9.082 -8.095 4.028 1.00 10.94 C ATOM 1022 C GLU A 64 8.322 -7.223 4.956 1.00 9.74 C ATOM 1023 O GLU A 64 7.773 -7.691 5.925 1.00 9.42 O ATOM 1024 CB GLU A 64 9.876 -9.300 4.664 1.00 18.31 C ATOM 1025 CG GLU A 64 10.992 -9.066 5.714 1.00 24.16 C ATOM 1026 CD GLU A 64 11.614 -10.425 5.962 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.003 -11.174 6.740 1.00 31.72 O ATOM 1028 OE2 GLU A 64 12.705 -10.750 5.398 1.00 32.61 O ATOM 0 H GLU A 64 9.639 -7.396 2.116 1.00 10.04 H new ATOM 0 HA GLU A 64 8.305 -8.607 3.460 1.00 10.94 H new ATOM 0 HB2 GLU A 64 9.139 -9.958 5.125 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.326 -9.854 3.840 1.00 18.31 H new ATOM 0 HG2 GLU A 64 11.734 -8.357 5.345 1.00 24.16 H new ATOM 0 HG3 GLU A 64 10.583 -8.649 6.634 1.00 24.16 H new ATOM 1035 N SER A 65 8.298 -5.855 4.761 1.00 6.85 N ATOM 1036 CA SER A 65 7.564 -4.927 5.606 1.00 6.90 C ATOM 1037 C SER A 65 6.060 -5.072 5.540 1.00 4.72 C ATOM 1038 O SER A 65 5.532 -5.472 4.474 1.00 3.91 O ATOM 1039 CB SER A 65 7.758 -3.463 5.219 1.00 7.28 C ATOM 1040 OG SER A 65 9.127 -3.053 5.182 1.00 10.56 O ATOM 0 H SER A 65 8.801 -5.397 4.001 1.00 6.85 H new ATOM 0 HA SER A 65 7.969 -5.178 6.586 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.311 -3.293 4.239 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.219 -2.835 5.928 1.00 7.28 H new ATOM 0 HG SER A 65 9.472 -3.147 4.270 1.00 10.56 H new ATOM 1046 N THR A 66 5.308 -4.739 6.639 1.00 4.48 N ATOM 1047 CA THR A 66 3.859 -4.847 6.647 1.00 3.80 C ATOM 1048 C THR A 66 3.201 -3.517 6.403 1.00 4.60 C ATOM 1049 O THR A 66 3.283 -2.557 7.198 1.00 5.33 O ATOM 1050 CB THR A 66 3.245 -5.364 7.966 1.00 2.85 C ATOM 1051 OG1 THR A 66 3.506 -6.736 8.153 1.00 2.15 O ATOM 1052 CG2 THR A 66 1.700 -5.200 8.081 1.00 3.40 C ATOM 0 H THR A 66 5.706 -4.398 7.514 1.00 4.48 H new ATOM 0 HA THR A 66 3.671 -5.569 5.852 1.00 3.80 H new ATOM 0 HB THR A 66 3.722 -4.741 8.722 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.106 -7.033 8.997 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.363 -5.592 9.041 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.440 -4.144 8.008 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.215 -5.750 7.274 1.00 3.40 H new ATOM 1060 N LEU A 67 2.636 -3.344 5.179 1.00 4.17 N ATOM 1061 CA LEU A 67 2.019 -2.108 4.746 1.00 3.85 C ATOM 1062 C LEU A 67 0.556 -2.303 5.071 1.00 3.80 C ATOM 1063 O LEU A 67 -0.200 -3.106 4.448 1.00 5.54 O ATOM 1064 CB LEU A 67 2.281 -1.977 3.219 1.00 7.18 C ATOM 1065 CG LEU A 67 3.592 -1.275 2.907 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.910 -2.008 3.364 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.619 -0.898 1.407 1.00 11.66 C ATOM 0 H LEU A 67 2.607 -4.080 4.474 1.00 4.17 H new ATOM 0 HA LEU A 67 2.396 -1.201 5.218 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.289 -2.970 2.769 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.460 -1.426 2.760 1.00 7.18 H new ATOM 0 HG LEU A 67 3.604 -0.380 3.528 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.776 -1.408 3.085 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.895 -2.142 4.446 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.972 -2.982 2.878 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.557 -0.394 1.175 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.534 -1.801 0.803 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.785 -0.233 1.184 1.00 11.66 H new ATOM 1079 N HIS A 68 0.107 -1.663 6.178 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.209 -1.657 6.615 1.00 4.17 C ATOM 1081 C HIS A 68 -2.185 -1.089 5.545 1.00 5.32 C ATOM 1082 O HIS A 68 -1.857 -0.146 4.800 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.318 -0.715 7.816 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.507 -1.055 8.972 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.779 -0.663 9.189 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.819 -1.915 9.969 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.193 -1.373 10.281 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.268 -2.133 10.776 1.00 16.30 N ATOM 0 H HIS A 68 0.727 -1.125 6.784 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.474 -2.689 6.846 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.046 0.289 7.490 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.362 -0.677 8.128 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -1.790 -2.367 10.110 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.190 -1.307 10.690 1.00 14.75 H new ATOM 0 HE2 HIS A 68 0.333 -2.753 11.583 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.367 -1.649 5.512 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.295 -1.459 4.447 1.00 3.97 C ATOM 1098 C LEU A 69 -5.542 -1.062 5.182 1.00 5.07 C ATOM 1099 O LEU A 69 -6.124 -1.833 6.002 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.389 -2.731 3.545 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.509 -2.632 2.496 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.433 -1.440 1.578 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.574 -3.891 1.610 1.00 9.96 C ATOM 0 H LEU A 69 -3.712 -2.265 6.249 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.028 -0.699 3.713 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.436 -2.884 3.039 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.561 -3.605 4.173 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.405 -2.522 3.107 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.268 -1.466 0.878 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.481 -0.524 2.167 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.495 -1.467 1.024 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.378 -3.782 0.882 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.626 -4.018 1.088 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.765 -4.765 2.233 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.061 0.180 4.883 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.326 0.674 5.446 1.00 6.26 C ATOM 1117 C VAL A 70 -8.297 0.983 4.336 1.00 9.22 C ATOM 1118 O VAL A 70 -8.023 1.630 3.336 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.079 1.966 6.309 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.431 2.477 6.909 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.229 1.542 7.520 1.00 8.54 C ATOM 0 H VAL A 70 -5.605 0.840 4.253 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.745 -0.101 6.087 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.613 2.733 5.690 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.250 3.372 7.505 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -9.122 2.714 6.100 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.865 1.702 7.541 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.033 2.411 8.149 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.768 0.790 8.097 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.284 1.124 7.173 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.511 0.477 4.340 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.684 0.781 3.551 1.00 16.06 C ATOM 1133 C LEU A 71 -11.110 2.240 3.669 1.00 18.09 C ATOM 1134 O LEU A 71 -11.207 2.793 4.761 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.926 -0.152 3.794 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.728 -1.642 3.394 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.927 -2.530 3.695 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -11.412 -1.911 1.843 1.00 19.57 C ATOM 0 H LEU A 71 -9.727 -0.271 4.999 1.00 12.71 H new ATOM 0 HA LEU A 71 -10.346 0.580 2.534 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.191 -0.109 4.851 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.774 0.247 3.237 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.863 -1.891 4.009 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -12.709 -3.553 3.387 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -13.135 -2.510 4.765 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -13.797 -2.164 3.149 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -11.293 -2.982 1.676 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -12.236 -1.539 1.234 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -10.493 -1.396 1.564 1.00 19.57 H new