USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 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 112:sc= 1.19 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 1.03 USER MOD Set 2.1: A 22 THR OG1 : rot -170:sc= -0.163 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.296 K(o=0.13,f=-0.45) USER MOD Set 3.1: A 7 THR OG1 : rot 180:sc= 0.49 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -165:sc= -0.225 (180deg=-0.831) USER MOD Single : A 1 MET N :NH3+ 166:sc= 1.13 (180deg=1.03) USER MOD Single : A 2 GLN : amide:sc= -0.115 K(o=-0.11,f=-1.7) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -136:sc= 1.26 (180deg=-0.133) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -101:sc= 0.0433 USER MOD Single : A 20 SER OG : rot 180:sc= 0.00759 USER MOD Single : A 27 LYS NZ :NH3+ 173:sc= 1.22 (180deg=1.14) USER MOD Single : A 29 LYS NZ :NH3+ 175:sc= 0.39 (180deg=0.359) USER MOD Single : A 31 GLN : amide:sc=-0.00559 X(o=-0.0056,f=-0.4) USER MOD Single : A 33 LYS NZ :NH3+ -164:sc= -0.116 (180deg=-0.355) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 41 GLN : amide:sc= 0.338 K(o=0.34,f=-4.7!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.565 K(o=0.56,f=-2.9!) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.343 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 77:sc= 0.868 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0802 USER MOD Single : A 68 HIS : no HD1:sc= -0.183 K(o=-0.18,f=-0.96) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.583 -7.221 -4.686 1.00 9.67 N ATOM 2 CA MET A 1 11.298 -7.586 -3.261 1.00 10.38 C ATOM 3 C MET A 1 9.822 -7.831 -2.915 1.00 9.62 C ATOM 4 O MET A 1 8.894 -7.244 -3.496 1.00 9.62 O ATOM 5 CB MET A 1 11.785 -6.541 -2.258 1.00 13.77 C ATOM 6 CG MET A 1 11.168 -5.128 -2.308 1.00 16.29 C ATOM 7 SD MET A 1 12.003 -3.866 -1.339 1.00 17.17 S ATOM 8 CE MET A 1 10.755 -2.500 -1.521 1.00 16.11 C ATOM 0 H1 MET A 1 12.552 -6.850 -4.762 1.00 9.67 H new ATOM 0 H2 MET A 1 11.487 -8.065 -5.286 1.00 9.67 H new ATOM 0 H3 MET A 1 10.909 -6.494 -5.000 1.00 9.67 H new ATOM 0 HA MET A 1 11.849 -8.522 -3.176 1.00 10.38 H new ATOM 0 HB2 MET A 1 11.619 -6.940 -1.257 1.00 13.77 H new ATOM 0 HB3 MET A 1 12.863 -6.437 -2.385 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.143 -4.801 -3.348 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.134 -5.193 -1.969 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.204 -1.554 -1.219 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.436 -2.435 -2.561 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.892 -2.709 -0.889 1.00 16.11 H new ATOM 20 N GLN A 2 9.497 -8.724 -1.861 1.00 9.27 N ATOM 21 CA GLN A 2 8.097 -8.918 -1.505 1.00 9.07 C ATOM 22 C GLN A 2 7.824 -8.127 -0.273 1.00 8.72 C ATOM 23 O GLN A 2 8.475 -8.203 0.768 1.00 8.22 O ATOM 24 CB GLN A 2 7.907 -10.414 -1.144 1.00 14.46 C ATOM 25 CG GLN A 2 7.952 -11.481 -2.205 1.00 17.01 C ATOM 26 CD GLN A 2 6.982 -11.163 -3.378 1.00 20.10 C ATOM 27 OE1 GLN A 2 5.914 -10.536 -3.307 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.318 -11.837 -4.484 1.00 19.49 N ATOM 0 H GLN A 2 10.171 -9.259 -1.313 1.00 9.27 H new ATOM 0 HA GLN A 2 7.441 -8.617 -2.322 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.671 -10.664 -0.408 1.00 14.46 H new ATOM 0 HB3 GLN A 2 6.942 -10.501 -0.644 1.00 14.46 H new ATOM 0 HG2 GLN A 2 8.969 -11.572 -2.587 1.00 17.01 H new ATOM 0 HG3 GLN A 2 7.689 -12.443 -1.766 1.00 17.01 H new ATOM 0 HE21 GLN A 2 8.201 -12.346 -4.522 1.00 19.49 H new ATOM 0 HE22 GLN A 2 6.691 -11.841 -5.289 1.00 19.49 H new ATOM 37 N ILE A 3 6.679 -7.445 -0.301 1.00 5.87 N ATOM 38 CA ILE A 3 6.182 -6.753 0.863 1.00 5.07 C ATOM 39 C ILE A 3 4.824 -7.332 1.133 1.00 4.01 C ATOM 40 O ILE A 3 3.991 -7.591 0.271 1.00 4.61 O ATOM 41 CB ILE A 3 6.229 -5.283 0.757 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.571 -4.730 -0.549 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.702 -4.805 0.836 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.349 -3.179 -0.566 1.00 10.83 C ATOM 0 H ILE A 3 6.084 -7.364 -1.126 1.00 5.87 H new ATOM 0 HA ILE A 3 6.832 -6.915 1.723 1.00 5.07 H new ATOM 0 HB ILE A 3 5.647 -4.891 1.591 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.197 -5.003 -1.398 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.609 -5.222 -0.691 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.737 -3.718 0.758 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.134 -5.114 1.788 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.272 -5.246 0.018 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.888 -2.888 -1.510 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.696 -2.896 0.259 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.308 -2.673 -0.459 1.00 10.83 H new ATOM 56 N PHE A 4 4.550 -7.495 2.477 1.00 4.55 N ATOM 57 CA PHE A 4 3.272 -7.843 3.008 1.00 4.68 C ATOM 58 C PHE A 4 2.390 -6.671 3.247 1.00 5.30 C ATOM 59 O PHE A 4 2.756 -5.713 3.964 1.00 5.58 O ATOM 60 CB PHE A 4 3.437 -8.493 4.429 1.00 4.83 C ATOM 61 CG PHE A 4 4.198 -9.821 4.450 1.00 7.97 C ATOM 62 CD1 PHE A 4 3.842 -10.988 3.762 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.208 -9.913 5.422 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.486 -12.219 4.011 1.00 9.10 C ATOM 65 CE2 PHE A 4 5.936 -11.103 5.545 1.00 10.61 C ATOM 66 CZ PHE A 4 5.474 -12.252 4.969 1.00 8.90 C ATOM 0 H PHE A 4 5.261 -7.374 3.198 1.00 4.55 H new ATOM 0 HA PHE A 4 2.835 -8.508 2.263 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.954 -7.785 5.078 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.447 -8.652 4.856 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.056 -10.945 3.023 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.421 -9.074 6.068 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.211 -13.110 3.465 1.00 9.10 H new ATOM 0 HE2 PHE A 4 6.865 -11.112 6.096 1.00 10.61 H new ATOM 0 HZ PHE A 4 5.891 -13.202 5.270 1.00 8.90 H new ATOM 76 N VAL A 5 1.180 -6.687 2.673 1.00 4.44 N ATOM 77 CA VAL A 5 0.217 -5.634 2.998 1.00 3.87 C ATOM 78 C VAL A 5 -0.916 -6.262 3.803 1.00 4.93 C ATOM 79 O VAL A 5 -1.553 -7.174 3.370 1.00 6.84 O ATOM 80 CB VAL A 5 -0.231 -5.006 1.697 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.271 -3.925 2.119 1.00 5.28 C ATOM 82 CG2 VAL A 5 1.002 -4.494 0.929 1.00 9.13 C ATOM 0 H VAL A 5 0.855 -7.389 2.008 1.00 4.44 H new ATOM 0 HA VAL A 5 0.640 -4.840 3.613 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.709 -5.687 0.993 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.649 -3.418 1.231 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.098 -4.402 2.645 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.794 -3.198 2.776 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.684 -4.041 -0.010 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.524 -3.751 1.532 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.673 -5.328 0.720 1.00 9.13 H new ATOM 92 N LYS A 6 -1.085 -5.779 5.026 1.00 6.04 N ATOM 93 CA LYS A 6 -2.037 -6.239 6.022 1.00 6.12 C ATOM 94 C LYS A 6 -3.355 -5.462 6.130 1.00 6.57 C ATOM 95 O LYS A 6 -3.334 -4.224 6.376 1.00 5.76 O ATOM 96 CB LYS A 6 -1.442 -6.450 7.341 1.00 7.45 C ATOM 97 CG LYS A 6 -2.212 -7.516 8.183 1.00 11.12 C ATOM 98 CD LYS A 6 -1.397 -8.237 9.211 1.00 14.54 C ATOM 99 CE LYS A 6 -2.087 -9.388 9.860 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.154 -10.039 10.748 1.00 20.55 N ATOM 0 H LYS A 6 -0.521 -5.002 5.370 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.326 -7.207 5.613 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.406 -6.766 7.222 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.427 -5.505 7.884 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -3.045 -7.024 8.685 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.639 -8.252 7.502 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.482 -8.598 8.741 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.101 -7.527 9.983 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -2.960 -9.043 10.414 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -2.445 -10.089 9.106 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -1.620 -10.846 11.210 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.335 -10.377 10.204 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.834 -9.364 11.471 1.00 20.55 H new ATOM 114 N THR A 7 -4.589 -6.015 5.925 1.00 7.41 N ATOM 115 CA THR A 7 -5.841 -5.370 5.993 1.00 7.48 C ATOM 116 C THR A 7 -6.251 -5.049 7.427 1.00 8.75 C ATOM 117 O THR A 7 -5.717 -5.565 8.413 1.00 8.58 O ATOM 118 CB THR A 7 -7.056 -6.142 5.349 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.458 -7.238 6.075 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.506 -6.758 4.033 1.00 9.17 C ATOM 0 H THR A 7 -4.688 -7.003 5.693 1.00 7.41 H new ATOM 0 HA THR A 7 -5.657 -4.472 5.404 1.00 7.48 H new ATOM 0 HB THR A 7 -7.885 -5.440 5.260 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.213 -7.670 5.624 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.300 -7.311 3.531 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.149 -5.962 3.380 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.683 -7.434 4.264 1.00 9.17 H new ATOM 128 N LEU A 8 -7.197 -4.050 7.683 1.00 9.84 N ATOM 129 CA LEU A 8 -7.585 -3.636 9.036 1.00 14.15 C ATOM 130 C LEU A 8 -8.150 -4.777 9.870 1.00 17.37 C ATOM 131 O LEU A 8 -7.874 -4.871 11.052 1.00 17.01 O ATOM 132 CB LEU A 8 -8.629 -2.468 8.894 1.00 16.63 C ATOM 133 CG LEU A 8 -9.176 -1.945 10.224 1.00 18.88 C ATOM 134 CD1 LEU A 8 -8.297 -1.064 11.083 1.00 19.31 C ATOM 135 CD2 LEU A 8 -10.561 -1.320 10.040 1.00 18.59 C ATOM 0 H LEU A 8 -7.682 -3.540 6.945 1.00 9.84 H new ATOM 0 HA LEU A 8 -6.696 -3.302 9.572 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -8.162 -1.642 8.357 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.463 -2.814 8.283 1.00 16.63 H new ATOM 0 HG LEU A 8 -9.224 -2.858 10.817 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -8.837 -0.782 11.987 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -7.392 -1.607 11.355 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -8.028 -0.166 10.527 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -10.927 -0.956 11.000 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -10.495 -0.488 9.339 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -11.250 -2.070 9.650 1.00 18.59 H new ATOM 147 N THR A 9 -8.928 -5.650 9.252 1.00 18.33 N ATOM 148 CA THR A 9 -9.439 -6.904 9.852 1.00 19.24 C ATOM 149 C THR A 9 -8.508 -8.100 9.812 1.00 19.48 C ATOM 150 O THR A 9 -8.882 -9.155 10.198 1.00 23.14 O ATOM 151 CB THR A 9 -10.792 -7.290 9.405 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.832 -7.427 7.997 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.806 -6.193 9.818 1.00 19.70 C ATOM 0 H THR A 9 -9.239 -5.516 8.290 1.00 18.33 H new ATOM 0 HA THR A 9 -9.500 -6.613 10.901 1.00 19.24 H new ATOM 0 HB THR A 9 -11.047 -8.242 9.870 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.736 -7.685 7.719 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.805 -6.478 9.488 1.00 19.70 H new ATOM 0 HG22 THR A 9 -11.800 -6.082 10.902 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.527 -5.247 9.355 1.00 19.70 H new ATOM 161 N GLY A 10 -7.226 -8.007 9.248 1.00 19.43 N ATOM 162 CA GLY A 10 -6.197 -8.972 9.543 1.00 18.74 C ATOM 163 C GLY A 10 -5.819 -9.904 8.487 1.00 17.62 C ATOM 164 O GLY A 10 -5.102 -10.867 8.700 1.00 19.74 O ATOM 0 H GLY A 10 -6.939 -7.269 8.606 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.303 -8.427 9.845 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.521 -9.555 10.405 1.00 18.74 H new ATOM 168 N LYS A 11 -6.312 -9.676 7.247 1.00 13.56 N ATOM 169 CA LYS A 11 -5.926 -10.522 6.125 1.00 11.91 C ATOM 170 C LYS A 11 -4.564 -10.080 5.621 1.00 10.18 C ATOM 171 O LYS A 11 -4.138 -8.946 5.874 1.00 9.10 O ATOM 172 CB LYS A 11 -6.993 -10.537 5.045 1.00 13.43 C ATOM 173 CG LYS A 11 -6.711 -11.422 3.812 1.00 16.69 C ATOM 174 CD LYS A 11 -7.908 -11.498 2.841 1.00 17.92 C ATOM 175 CE LYS A 11 -7.560 -12.367 1.649 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.665 -12.496 0.661 1.00 21.93 N ATOM 0 H LYS A 11 -6.963 -8.926 7.014 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.841 -11.558 6.454 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.929 -10.867 5.495 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.147 -9.514 4.703 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.843 -11.031 3.281 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.455 -12.428 4.144 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.778 -11.906 3.356 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -8.177 -10.497 2.504 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.685 -11.951 1.150 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.283 -13.360 2.003 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.749 -13.488 0.362 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.558 -12.189 1.097 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.462 -11.901 -0.167 1.00 21.93 H new ATOM 190 N THR A 12 -3.708 -10.933 5.010 1.00 9.63 N ATOM 191 CA THR A 12 -2.347 -10.534 4.613 1.00 9.85 C ATOM 192 C THR A 12 -2.186 -10.890 3.182 1.00 11.66 C ATOM 193 O THR A 12 -2.563 -11.976 2.691 1.00 12.33 O ATOM 194 CB THR A 12 -1.299 -11.173 5.418 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.563 -10.934 6.804 1.00 10.91 O ATOM 196 CG2 THR A 12 0.026 -10.595 5.048 1.00 9.63 C ATOM 0 H THR A 12 -3.941 -11.900 4.784 1.00 9.63 H new ATOM 0 HA THR A 12 -2.232 -9.463 4.779 1.00 9.85 H new ATOM 0 HB THR A 12 -1.288 -12.247 5.231 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.867 -11.360 7.348 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.808 -11.067 5.643 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.218 -10.774 3.990 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.021 -9.522 5.240 1.00 9.63 H new ATOM 204 N ILE A 13 -1.771 -9.922 2.322 1.00 10.42 N ATOM 205 CA ILE A 13 -1.537 -10.106 0.910 1.00 11.84 C ATOM 206 C ILE A 13 -0.057 -9.798 0.567 1.00 10.55 C ATOM 207 O ILE A 13 0.528 -8.818 1.059 1.00 11.92 O ATOM 208 CB ILE A 13 -2.435 -9.377 0.009 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.412 -7.884 0.280 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.803 -10.041 0.266 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.378 -7.053 -0.568 1.00 16.46 C ATOM 0 H ILE A 13 -1.591 -8.966 2.629 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.767 -11.156 0.728 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.151 -9.438 -1.042 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.643 -7.718 1.332 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.399 -7.516 0.114 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.560 -9.570 -0.362 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.743 -11.103 0.027 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.075 -9.920 1.315 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.285 -6.001 -0.299 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.137 -7.180 -1.623 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.400 -7.385 -0.386 1.00 16.46 H new ATOM 223 N THR A 14 0.608 -10.560 -0.302 1.00 9.39 N ATOM 224 CA THR A 14 2.065 -10.456 -0.481 1.00 9.63 C ATOM 225 C THR A 14 2.359 -9.922 -1.852 1.00 11.20 C ATOM 226 O THR A 14 1.938 -10.508 -2.861 1.00 11.63 O ATOM 227 CB THR A 14 2.763 -11.771 -0.264 1.00 10.38 C ATOM 228 OG1 THR A 14 2.363 -12.456 0.931 1.00 16.30 O ATOM 229 CG2 THR A 14 4.296 -11.584 -0.309 1.00 11.66 C ATOM 0 H THR A 14 0.163 -11.259 -0.897 1.00 9.39 H new ATOM 0 HA THR A 14 2.450 -9.770 0.274 1.00 9.63 H new ATOM 0 HB THR A 14 2.452 -12.416 -1.086 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.039 -12.320 1.628 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.785 -12.545 -0.150 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.586 -11.186 -1.282 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.601 -10.888 0.473 1.00 11.66 H new ATOM 237 N LEU A 15 3.042 -8.743 -1.977 1.00 8.29 N ATOM 238 CA LEU A 15 3.106 -7.996 -3.217 1.00 9.03 C ATOM 239 C LEU A 15 4.505 -7.797 -3.621 1.00 8.59 C ATOM 240 O LEU A 15 5.294 -7.177 -2.919 1.00 7.79 O ATOM 241 CB LEU A 15 2.469 -6.523 -3.083 1.00 11.08 C ATOM 242 CG LEU A 15 1.010 -6.531 -2.622 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.588 -5.048 -2.474 1.00 15.88 C ATOM 244 CD2 LEU A 15 -0.053 -7.294 -3.493 1.00 15.27 C ATOM 0 H LEU A 15 3.553 -8.308 -1.208 1.00 8.29 H new ATOM 0 HA LEU A 15 2.545 -8.582 -3.945 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.062 -5.942 -2.377 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.535 -6.018 -4.047 1.00 11.08 H new ATOM 0 HG LEU A 15 1.004 -7.111 -1.699 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.450 -4.996 -2.145 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.226 -4.560 -1.738 1.00 15.88 H new ATOM 0 HD13 LEU A 15 0.690 -4.543 -3.435 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -1.036 -7.204 -3.030 1.00 15.27 H new ATOM 0 HD22 LEU A 15 -0.082 -6.861 -4.493 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.220 -8.347 -3.561 1.00 15.27 H new ATOM 256 N GLU A 16 4.900 -8.315 -4.816 1.00 11.04 N ATOM 257 CA GLU A 16 6.140 -8.056 -5.467 1.00 11.50 C ATOM 258 C GLU A 16 6.313 -6.558 -5.883 1.00 10.13 C ATOM 259 O GLU A 16 5.422 -6.016 -6.585 1.00 9.83 O ATOM 260 CB GLU A 16 6.317 -8.967 -6.708 1.00 17.22 C ATOM 261 CG GLU A 16 7.664 -8.671 -7.440 1.00 23.33 C ATOM 262 CD GLU A 16 7.634 -9.300 -8.782 1.00 26.99 C ATOM 263 OE1 GLU A 16 7.667 -10.592 -8.889 1.00 28.90 O ATOM 264 OE2 GLU A 16 7.540 -8.587 -9.811 1.00 28.86 O ATOM 0 H GLU A 16 4.307 -8.952 -5.348 1.00 11.04 H new ATOM 0 HA GLU A 16 6.915 -8.282 -4.735 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.289 -10.013 -6.401 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.485 -8.814 -7.396 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.814 -7.595 -7.532 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.501 -9.061 -6.860 1.00 23.33 H new ATOM 271 N VAL A 17 7.386 -5.908 -5.431 1.00 8.99 N ATOM 272 CA VAL A 17 7.635 -4.506 -5.675 1.00 8.85 C ATOM 273 C VAL A 17 9.119 -4.301 -5.954 1.00 8.04 C ATOM 274 O VAL A 17 9.965 -5.193 -5.829 1.00 8.99 O ATOM 275 CB VAL A 17 7.185 -3.564 -4.612 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.695 -3.676 -4.423 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.971 -3.951 -3.363 1.00 10.54 C ATOM 0 H VAL A 17 8.114 -6.359 -4.876 1.00 8.99 H new ATOM 0 HA VAL A 17 7.019 -4.255 -6.538 1.00 8.85 H new ATOM 0 HB VAL A 17 7.372 -2.520 -4.863 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.374 -2.984 -3.644 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.190 -3.430 -5.357 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.441 -4.695 -4.130 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.689 -3.296 -2.538 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.748 -4.985 -3.098 1.00 10.54 H new ATOM 0 HG23 VAL A 17 9.038 -3.849 -3.559 1.00 10.54 H new ATOM 287 N GLU A 18 9.455 -3.060 -6.385 1.00 7.29 N ATOM 288 CA GLU A 18 10.786 -2.522 -6.384 1.00 7.08 C ATOM 289 C GLU A 18 10.749 -1.350 -5.409 1.00 6.45 C ATOM 290 O GLU A 18 9.672 -0.741 -5.286 1.00 5.28 O ATOM 291 CB GLU A 18 11.330 -2.028 -7.751 1.00 10.28 C ATOM 292 CG GLU A 18 11.573 -3.115 -8.769 1.00 12.65 C ATOM 293 CD GLU A 18 12.761 -3.962 -8.345 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.968 -3.646 -8.619 1.00 18.17 O ATOM 295 OE2 GLU A 18 12.443 -5.059 -7.800 1.00 14.33 O ATOM 0 H GLU A 18 8.764 -2.405 -6.750 1.00 7.29 H new ATOM 0 HA GLU A 18 11.466 -3.328 -6.110 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.624 -1.311 -8.169 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.265 -1.493 -7.582 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.685 -3.740 -8.866 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.760 -2.674 -9.748 1.00 12.65 H new ATOM 302 N PRO A 19 11.796 -0.973 -4.678 1.00 7.24 N ATOM 303 CA PRO A 19 11.862 0.277 -3.850 1.00 7.07 C ATOM 304 C PRO A 19 11.569 1.602 -4.608 1.00 6.65 C ATOM 305 O PRO A 19 11.223 2.647 -3.973 1.00 6.37 O ATOM 306 CB PRO A 19 13.324 0.363 -3.470 1.00 7.61 C ATOM 307 CG PRO A 19 13.799 -1.137 -3.323 1.00 8.16 C ATOM 308 CD PRO A 19 13.022 -1.789 -4.486 1.00 7.49 C ATOM 0 HA PRO A 19 11.121 0.200 -3.054 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.900 0.886 -4.234 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.458 0.912 -2.538 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.878 -1.244 -3.433 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.534 -1.564 -2.356 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.624 -1.806 -5.395 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.768 -2.823 -4.253 1.00 7.49 H new ATOM 316 N SER A 20 11.739 1.621 -5.955 1.00 6.80 N ATOM 317 CA SER A 20 11.497 2.787 -6.732 1.00 6.28 C ATOM 318 C SER A 20 10.066 2.884 -7.278 1.00 8.45 C ATOM 319 O SER A 20 9.661 3.903 -7.839 1.00 7.26 O ATOM 320 CB SER A 20 12.495 2.982 -7.909 1.00 8.57 C ATOM 321 OG SER A 20 12.758 1.736 -8.529 1.00 11.13 O ATOM 0 H SER A 20 12.047 0.814 -6.498 1.00 6.80 H new ATOM 0 HA SER A 20 11.650 3.591 -6.012 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.081 3.680 -8.637 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.424 3.418 -7.541 1.00 8.57 H new ATOM 0 HG SER A 20 13.386 1.866 -9.270 1.00 11.13 H new ATOM 327 N ASP A 21 9.274 1.886 -7.073 1.00 7.50 N ATOM 328 CA ASP A 21 7.838 1.854 -7.232 1.00 7.70 C ATOM 329 C ASP A 21 7.262 2.777 -6.169 1.00 7.08 C ATOM 330 O ASP A 21 7.750 3.036 -5.066 1.00 8.11 O ATOM 331 CB ASP A 21 7.254 0.421 -7.016 1.00 11.00 C ATOM 332 CG ASP A 21 7.651 -0.491 -8.168 1.00 15.32 C ATOM 333 OD1 ASP A 21 8.004 0.037 -9.282 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.688 -1.728 -8.022 1.00 14.36 O ATOM 0 H ASP A 21 9.637 0.985 -6.761 1.00 7.50 H new ATOM 0 HA ASP A 21 7.580 2.162 -8.245 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.620 0.010 -6.075 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.168 0.471 -6.941 1.00 11.00 H new ATOM 339 N THR A 22 6.156 3.369 -6.565 1.00 5.37 N ATOM 340 CA THR A 22 5.403 4.332 -5.800 1.00 6.01 C ATOM 341 C THR A 22 4.329 3.647 -5.016 1.00 8.01 C ATOM 342 O THR A 22 3.953 2.530 -5.360 1.00 8.11 O ATOM 343 CB THR A 22 4.854 5.458 -6.594 1.00 8.92 C ATOM 344 OG1 THR A 22 3.987 4.985 -7.617 1.00 10.22 O ATOM 345 CG2 THR A 22 6.000 6.262 -7.210 1.00 9.65 C ATOM 0 H THR A 22 5.739 3.180 -7.476 1.00 5.37 H new ATOM 0 HA THR A 22 6.116 4.794 -5.117 1.00 6.01 H new ATOM 0 HB THR A 22 4.276 6.100 -5.929 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.763 5.722 -8.223 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.593 7.088 -7.793 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.636 6.656 -6.417 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.590 5.616 -7.860 1.00 9.65 H new ATOM 353 N ILE A 23 3.783 4.257 -4.007 1.00 8.32 N ATOM 354 CA ILE A 23 2.541 3.963 -3.294 1.00 9.92 C ATOM 355 C ILE A 23 1.367 3.734 -4.190 1.00 10.01 C ATOM 356 O ILE A 23 0.575 2.845 -3.974 1.00 8.71 O ATOM 357 CB ILE A 23 2.281 5.087 -2.270 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.540 5.340 -1.370 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.005 4.746 -1.406 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.152 4.118 -0.724 1.00 12.30 C ATOM 0 H ILE A 23 4.241 5.074 -3.603 1.00 8.32 H new ATOM 0 HA ILE A 23 2.669 3.013 -2.776 1.00 9.92 H new ATOM 0 HB ILE A 23 2.088 6.013 -2.811 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.304 5.826 -1.977 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.264 6.042 -0.583 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.829 5.545 -0.686 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.138 4.649 -2.060 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.165 3.808 -0.875 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.014 4.415 -0.127 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.414 3.638 -0.082 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.470 3.418 -1.497 1.00 12.30 H new ATOM 372 N GLU A 24 1.165 4.540 -5.304 1.00 9.54 N ATOM 373 CA GLU A 24 0.181 4.372 -6.366 1.00 11.81 C ATOM 374 C GLU A 24 0.361 2.977 -6.990 1.00 11.14 C ATOM 375 O GLU A 24 -0.621 2.365 -7.312 1.00 10.62 O ATOM 376 CB GLU A 24 0.607 5.426 -7.412 1.00 19.24 C ATOM 377 CG GLU A 24 -0.251 5.325 -8.670 1.00 27.76 C ATOM 378 CD GLU A 24 -0.006 6.411 -9.723 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.638 7.526 -9.649 1.00 34.80 O ATOM 380 OE2 GLU A 24 0.783 6.202 -10.641 1.00 36.51 O ATOM 0 H GLU A 24 1.741 5.367 -5.459 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.849 4.477 -6.025 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.517 6.425 -6.985 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.656 5.284 -7.671 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.078 4.352 -9.130 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.300 5.357 -8.377 1.00 27.76 H new ATOM 387 N ASN A 25 1.584 2.467 -7.252 1.00 9.43 N ATOM 388 CA ASN A 25 1.733 1.219 -7.941 1.00 10.96 C ATOM 389 C ASN A 25 1.351 0.030 -7.011 1.00 9.68 C ATOM 390 O ASN A 25 1.024 -1.045 -7.480 1.00 9.33 O ATOM 391 CB ASN A 25 3.193 1.061 -8.391 1.00 16.78 C ATOM 392 CG ASN A 25 3.279 1.672 -9.731 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.910 1.007 -10.671 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.666 2.932 -9.885 1.00 24.70 N ATOM 0 H ASN A 25 2.461 2.916 -6.989 1.00 9.43 H new ATOM 0 HA ASN A 25 1.070 1.214 -8.806 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.871 1.554 -7.694 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.479 0.010 -8.423 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.656 3.359 -10.811 1.00 24.70 H new ATOM 0 HD22 ASN A 25 3.973 3.473 -9.077 1.00 24.70 H new ATOM 401 N VAL A 26 1.437 0.253 -5.704 1.00 6.52 N ATOM 402 CA VAL A 26 1.078 -0.638 -4.616 1.00 5.53 C ATOM 403 C VAL A 26 -0.430 -0.773 -4.597 1.00 4.42 C ATOM 404 O VAL A 26 -0.899 -1.882 -4.440 1.00 3.40 O ATOM 405 CB VAL A 26 1.564 -0.080 -3.213 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.270 -1.051 -2.124 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.087 -0.015 -3.296 1.00 8.12 C ATOM 0 H VAL A 26 1.792 1.142 -5.352 1.00 6.52 H new ATOM 0 HA VAL A 26 1.564 -1.600 -4.778 1.00 5.53 H new ATOM 0 HB VAL A 26 1.075 0.872 -3.008 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.613 -0.645 -1.172 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.196 -1.230 -2.076 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.786 -1.990 -2.325 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.487 0.364 -2.355 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.484 -1.013 -3.484 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.379 0.650 -4.108 1.00 8.12 H new ATOM 417 N LYS A 27 -1.230 0.331 -4.835 1.00 2.64 N ATOM 418 CA LYS A 27 -2.683 0.315 -4.879 1.00 4.14 C ATOM 419 C LYS A 27 -3.152 -0.469 -6.066 1.00 5.58 C ATOM 420 O LYS A 27 -4.165 -1.157 -5.911 1.00 4.11 O ATOM 421 CB LYS A 27 -3.226 1.764 -4.878 1.00 3.97 C ATOM 422 CG LYS A 27 -2.786 2.564 -3.656 1.00 7.45 C ATOM 423 CD LYS A 27 -3.558 3.937 -3.557 1.00 9.02 C ATOM 424 CE LYS A 27 -3.163 4.769 -2.297 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.782 6.114 -2.369 1.00 15.47 N ATOM 0 H LYS A 27 -0.840 1.259 -5.001 1.00 2.64 H new ATOM 0 HA LYS A 27 -3.075 -0.180 -3.990 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.888 2.274 -5.780 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.315 1.738 -4.916 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.964 1.979 -2.753 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.713 2.751 -3.709 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.357 4.526 -4.452 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.631 3.744 -3.537 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.491 4.255 -1.393 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.079 4.861 -2.236 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.615 6.621 -1.476 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.360 6.649 -3.155 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.806 6.017 -2.526 1.00 15.47 H new ATOM 439 N ALA A 28 -2.523 -0.499 -7.302 1.00 6.61 N ATOM 440 CA ALA A 28 -2.802 -1.252 -8.549 1.00 7.74 C ATOM 441 C ALA A 28 -2.595 -2.758 -8.273 1.00 9.17 C ATOM 442 O ALA A 28 -3.336 -3.636 -8.738 1.00 11.45 O ATOM 443 CB ALA A 28 -1.828 -0.776 -9.684 1.00 7.68 C ATOM 0 H ALA A 28 -1.702 0.090 -7.442 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.828 -1.074 -8.871 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.036 -1.331 -10.599 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -1.973 0.289 -9.865 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.797 -0.955 -9.378 1.00 7.68 H new ATOM 449 N LYS A 29 -1.571 -3.131 -7.511 1.00 8.96 N ATOM 450 CA LYS A 29 -1.284 -4.470 -7.183 1.00 7.90 C ATOM 451 C LYS A 29 -2.321 -5.069 -6.307 1.00 6.92 C ATOM 452 O LYS A 29 -2.772 -6.239 -6.519 1.00 6.87 O ATOM 453 CB LYS A 29 0.139 -4.531 -6.623 1.00 10.28 C ATOM 454 CG LYS A 29 1.305 -4.263 -7.644 1.00 14.94 C ATOM 455 CD LYS A 29 2.596 -3.797 -6.929 1.00 19.69 C ATOM 456 CE LYS A 29 3.719 -3.321 -7.826 1.00 22.63 C ATOM 457 NZ LYS A 29 4.156 -4.334 -8.754 1.00 24.98 N ATOM 0 H LYS A 29 -0.913 -2.466 -7.105 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.317 -5.096 -8.075 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.219 -3.804 -5.814 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.291 -5.516 -6.182 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.510 -5.172 -8.209 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.993 -3.505 -8.362 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.337 -2.989 -6.245 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.968 -4.622 -6.321 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.388 -2.443 -8.381 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.563 -3.009 -7.211 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.865 -3.931 -9.399 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.576 -5.127 -8.229 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.342 -4.675 -9.304 1.00 24.98 H new ATOM 471 N ILE A 30 -2.735 -4.320 -5.307 1.00 4.57 N ATOM 472 CA ILE A 30 -3.854 -4.652 -4.437 1.00 5.58 C ATOM 473 C ILE A 30 -5.242 -4.777 -5.224 1.00 7.26 C ATOM 474 O ILE A 30 -6.132 -5.552 -4.994 1.00 9.46 O ATOM 475 CB ILE A 30 -4.001 -3.586 -3.300 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.852 -3.780 -2.296 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.463 -3.810 -2.623 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.651 -2.583 -1.376 1.00 2.00 C ATOM 0 H ILE A 30 -2.291 -3.434 -5.066 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.628 -5.629 -4.010 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.938 -2.563 -3.671 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -3.052 -4.665 -1.692 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.928 -3.969 -2.843 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.608 -3.085 -1.822 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -6.238 -3.677 -3.378 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.524 -4.819 -2.215 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.826 -2.784 -0.692 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.421 -1.700 -1.973 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.562 -2.407 -0.804 1.00 2.00 H new ATOM 490 N GLN A 31 -5.339 -3.944 -6.273 1.00 7.06 N ATOM 491 CA GLN A 31 -6.484 -4.050 -7.120 1.00 8.67 C ATOM 492 C GLN A 31 -6.473 -5.366 -7.902 1.00 10.90 C ATOM 493 O GLN A 31 -7.442 -6.076 -8.108 1.00 9.63 O ATOM 494 CB GLN A 31 -6.563 -2.859 -8.046 1.00 9.12 C ATOM 495 CG GLN A 31 -7.963 -2.776 -8.766 1.00 10.76 C ATOM 496 CD GLN A 31 -8.026 -1.684 -9.813 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.993 -1.185 -10.360 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.278 -1.201 -10.041 1.00 14.76 N ATOM 0 H GLN A 31 -4.659 -3.228 -6.528 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.376 -4.053 -6.494 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.390 -1.944 -7.479 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.772 -2.925 -8.793 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.181 -3.735 -9.236 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.739 -2.602 -8.021 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.082 -1.630 -9.582 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.413 -0.410 -10.671 1.00 14.76 H new ATOM 507 N ASP A 32 -5.275 -5.779 -8.430 1.00 10.93 N ATOM 508 CA ASP A 32 -5.149 -7.104 -8.981 1.00 14.01 C ATOM 509 C ASP A 32 -5.360 -8.261 -8.023 1.00 14.04 C ATOM 510 O ASP A 32 -6.078 -9.201 -8.303 1.00 13.39 O ATOM 511 CB ASP A 32 -3.743 -7.223 -9.602 1.00 18.01 C ATOM 512 CG ASP A 32 -3.673 -6.574 -10.931 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.684 -6.683 -11.677 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.701 -5.949 -11.377 1.00 25.17 O ATOM 0 H ASP A 32 -4.429 -5.210 -8.470 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.959 -7.198 -9.704 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.011 -6.767 -8.935 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.475 -8.275 -9.697 1.00 18.01 H new ATOM 519 N LYS A 33 -4.800 -8.172 -6.765 1.00 14.22 N ATOM 520 CA LYS A 33 -4.933 -9.271 -5.823 1.00 14.00 C ATOM 521 C LYS A 33 -6.235 -9.229 -5.027 1.00 12.37 C ATOM 522 O LYS A 33 -6.938 -10.255 -5.021 1.00 12.17 O ATOM 523 CB LYS A 33 -3.638 -9.287 -4.919 1.00 18.62 C ATOM 524 CG LYS A 33 -3.481 -10.620 -4.194 1.00 24.00 C ATOM 525 CD LYS A 33 -2.081 -10.736 -3.604 1.00 27.61 C ATOM 526 CE LYS A 33 -1.006 -11.252 -4.631 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.377 -12.524 -5.349 1.00 30.06 N ATOM 0 H LYS A 33 -4.277 -7.368 -6.419 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.004 -10.213 -6.366 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -2.759 -9.101 -5.537 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -3.692 -8.479 -4.190 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -4.225 -10.701 -3.402 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -3.661 -11.442 -4.886 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.773 -9.761 -3.227 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.110 -11.413 -2.750 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.828 -10.472 -5.371 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.066 -11.411 -4.103 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.529 -12.935 -5.789 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.777 -13.202 -4.670 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -2.081 -12.314 -6.085 1.00 30.06 H new ATOM 541 N GLU A 34 -6.673 -8.169 -4.401 1.00 10.11 N ATOM 542 CA GLU A 34 -7.911 -8.100 -3.636 1.00 10.07 C ATOM 543 C GLU A 34 -9.161 -7.495 -4.254 1.00 9.32 C ATOM 544 O GLU A 34 -10.260 -7.500 -3.708 1.00 11.61 O ATOM 545 CB GLU A 34 -7.636 -7.362 -2.293 1.00 14.77 C ATOM 546 CG GLU A 34 -7.104 -8.279 -1.117 1.00 18.75 C ATOM 547 CD GLU A 34 -8.018 -9.449 -0.810 1.00 22.28 C ATOM 548 OE1 GLU A 34 -9.109 -9.166 -0.283 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.705 -10.650 -1.038 1.00 25.19 O ATOM 0 H GLU A 34 -6.162 -7.286 -4.404 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.172 -9.155 -3.548 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -6.908 -6.571 -2.474 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.557 -6.879 -1.967 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.116 -8.657 -1.379 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.986 -7.674 -0.218 1.00 18.75 H new ATOM 556 N GLY A 35 -9.008 -6.921 -5.459 1.00 7.22 N ATOM 557 CA GLY A 35 -10.121 -6.399 -6.265 1.00 6.29 C ATOM 558 C GLY A 35 -10.552 -5.024 -5.913 1.00 6.93 C ATOM 559 O GLY A 35 -11.566 -4.582 -6.499 1.00 7.41 O ATOM 0 H GLY A 35 -8.098 -6.806 -5.904 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -9.830 -6.416 -7.315 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -10.973 -7.070 -6.160 1.00 6.29 H new ATOM 563 N ILE A 36 -9.822 -4.302 -5.062 1.00 5.86 N ATOM 564 CA ILE A 36 -10.160 -3.068 -4.476 1.00 6.07 C ATOM 565 C ILE A 36 -9.698 -1.962 -5.424 1.00 6.36 C ATOM 566 O ILE A 36 -8.515 -1.833 -5.720 1.00 6.18 O ATOM 567 CB ILE A 36 -9.557 -2.902 -3.053 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.065 -4.031 -2.164 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.072 -1.579 -2.586 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.146 -4.296 -0.960 1.00 9.49 C ATOM 0 H ILE A 36 -8.902 -4.622 -4.758 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.240 -3.014 -4.335 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.468 -2.941 -3.033 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.065 -3.785 -1.806 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.154 -4.942 -2.756 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.696 -1.375 -1.583 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.735 -0.797 -3.266 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.162 -1.599 -2.568 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.556 -5.110 -0.361 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.153 -4.571 -1.314 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.077 -3.396 -0.350 1.00 9.49 H new ATOM 582 N PRO A 37 -10.509 -0.997 -5.915 1.00 8.65 N ATOM 583 CA PRO A 37 -10.052 0.173 -6.624 1.00 9.18 C ATOM 584 C PRO A 37 -9.014 1.021 -5.842 1.00 9.85 C ATOM 585 O PRO A 37 -9.288 1.160 -4.658 1.00 8.51 O ATOM 586 CB PRO A 37 -11.331 0.961 -6.978 1.00 11.42 C ATOM 587 CG PRO A 37 -12.498 -0.044 -6.898 1.00 9.27 C ATOM 588 CD PRO A 37 -11.930 -1.183 -6.000 1.00 8.33 C ATOM 0 HA PRO A 37 -9.496 -0.114 -7.517 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.482 1.788 -6.284 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.258 1.392 -7.976 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.388 0.407 -6.460 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.780 -0.412 -7.884 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.381 -1.150 -5.008 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.164 -2.159 -6.425 1.00 8.33 H new ATOM 596 N PRO A 38 -7.979 1.639 -6.437 1.00 8.71 N ATOM 597 CA PRO A 38 -7.097 2.552 -5.653 1.00 9.08 C ATOM 598 C PRO A 38 -7.771 3.646 -4.804 1.00 9.28 C ATOM 599 O PRO A 38 -7.184 4.068 -3.827 1.00 6.50 O ATOM 600 CB PRO A 38 -6.167 3.124 -6.705 1.00 10.31 C ATOM 601 CG PRO A 38 -5.982 2.032 -7.711 1.00 10.81 C ATOM 602 CD PRO A 38 -7.369 1.367 -7.732 1.00 12.00 C ATOM 0 HA PRO A 38 -6.604 1.988 -4.861 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.596 4.014 -7.166 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.214 3.420 -6.267 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.704 2.423 -8.690 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.200 1.333 -7.413 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.980 1.769 -8.540 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.282 0.294 -7.902 1.00 12.00 H new ATOM 610 N ASP A 39 -9.019 4.071 -5.159 1.00 11.20 N ATOM 611 CA ASP A 39 -9.713 5.126 -4.414 1.00 14.96 C ATOM 612 C ASP A 39 -10.581 4.669 -3.291 1.00 13.99 C ATOM 613 O ASP A 39 -11.098 5.346 -2.472 1.00 13.75 O ATOM 614 CB ASP A 39 -10.562 6.099 -5.334 1.00 24.16 C ATOM 615 CG ASP A 39 -9.665 6.863 -6.302 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.880 6.249 -7.107 1.00 35.55 O ATOM 617 OD2 ASP A 39 -9.685 8.150 -6.223 1.00 34.22 O ATOM 0 H ASP A 39 -9.546 3.695 -5.948 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.872 5.664 -3.976 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.299 5.524 -5.894 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.113 6.804 -4.712 1.00 24.16 H new ATOM 622 N GLN A 40 -10.603 3.387 -3.107 1.00 11.60 N ATOM 623 CA GLN A 40 -11.049 2.779 -1.853 1.00 10.76 C ATOM 624 C GLN A 40 -9.862 2.332 -0.962 1.00 8.01 C ATOM 625 O GLN A 40 -10.089 1.605 -0.030 1.00 8.96 O ATOM 626 CB GLN A 40 -11.982 1.563 -2.107 1.00 11.14 C ATOM 627 CG GLN A 40 -13.316 2.059 -2.813 1.00 14.85 C ATOM 628 CD GLN A 40 -14.352 0.928 -3.073 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.347 -0.176 -2.505 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.303 1.233 -3.888 1.00 18.16 N ATOM 0 H GLN A 40 -10.314 2.712 -3.815 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.605 3.554 -1.326 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.477 0.828 -2.734 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.218 1.069 -1.165 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.779 2.827 -2.193 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.059 2.528 -3.763 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.304 2.141 -4.353 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -16.054 0.567 -4.068 1.00 18.16 H new ATOM 639 N GLN A 41 -8.565 2.751 -1.225 1.00 6.52 N ATOM 640 CA GLN A 41 -7.451 2.400 -0.371 1.00 3.87 C ATOM 641 C GLN A 41 -6.679 3.545 0.251 1.00 4.79 C ATOM 642 O GLN A 41 -6.185 4.488 -0.378 1.00 6.34 O ATOM 643 CB GLN A 41 -6.500 1.592 -1.332 1.00 4.20 C ATOM 644 CG GLN A 41 -7.102 0.335 -2.040 1.00 3.20 C ATOM 645 CD GLN A 41 -6.087 -0.319 -2.875 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.910 -0.330 -2.497 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.491 -1.006 -3.987 1.00 7.13 N ATOM 0 H GLN A 41 -8.310 3.327 -2.027 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.830 1.865 0.500 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.140 2.274 -2.102 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.631 1.272 -0.757 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.475 -0.367 -1.294 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.953 0.629 -2.655 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.469 -0.979 -4.276 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.814 -1.545 -4.527 1.00 7.13 H new ATOM 656 N ARG A 42 -6.567 3.466 1.587 1.00 5.73 N ATOM 657 CA ARG A 42 -5.666 4.287 2.433 1.00 6.97 C ATOM 658 C ARG A 42 -4.500 3.389 2.878 1.00 7.15 C ATOM 659 O ARG A 42 -4.751 2.367 3.528 1.00 7.33 O ATOM 660 CB ARG A 42 -6.383 4.736 3.715 1.00 13.23 C ATOM 661 CG ARG A 42 -7.597 5.599 3.397 1.00 21.27 C ATOM 662 CD ARG A 42 -8.463 5.898 4.609 1.00 26.14 C ATOM 663 NE ARG A 42 -7.509 6.637 5.557 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.289 6.401 6.843 1.00 34.32 C ATOM 665 NH1 ARG A 42 -7.903 5.408 7.496 1.00 35.30 N ATOM 666 NH2 ARG A 42 -6.399 7.094 7.532 1.00 36.39 N ATOM 0 H ARG A 42 -7.119 2.806 2.134 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.341 5.157 1.863 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.695 3.861 4.285 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.691 5.296 4.344 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -7.260 6.539 2.960 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -8.203 5.096 2.643 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -9.323 6.513 4.346 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -8.850 4.985 5.061 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.978 7.405 5.147 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.563 4.806 7.004 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -7.711 5.253 8.486 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -5.862 7.831 7.075 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -6.249 6.892 8.521 1.00 36.39 H new ATOM 680 N LEU A 43 -3.251 3.798 2.519 1.00 4.65 N ATOM 681 CA LEU A 43 -2.076 3.087 2.867 1.00 3.51 C ATOM 682 C LEU A 43 -1.310 3.762 3.994 1.00 5.56 C ATOM 683 O LEU A 43 -1.142 4.987 4.014 1.00 4.19 O ATOM 684 CB LEU A 43 -1.205 2.714 1.662 1.00 3.74 C ATOM 685 CG LEU A 43 -1.870 2.160 0.449 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.816 1.579 -0.510 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.946 1.145 0.693 1.00 6.41 C ATOM 0 H LEU A 43 -3.074 4.643 1.976 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.407 2.127 3.264 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.656 3.606 1.361 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.468 1.985 1.999 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.386 3.012 0.008 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.311 1.176 -1.394 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.123 2.366 -0.809 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -0.266 0.783 -0.008 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -3.357 0.814 -0.261 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -2.526 0.290 1.224 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.738 1.592 1.294 1.00 6.41 H new ATOM 699 N ILE A 44 -0.772 2.990 4.908 1.00 4.58 N ATOM 700 CA ILE A 44 -0.003 3.467 6.042 1.00 5.55 C ATOM 701 C ILE A 44 1.180 2.491 6.214 1.00 5.46 C ATOM 702 O ILE A 44 1.083 1.302 5.962 1.00 6.04 O ATOM 703 CB ILE A 44 -0.779 3.526 7.336 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.129 4.326 7.194 1.00 10.31 C ATOM 705 CG2 ILE A 44 0.086 3.992 8.552 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.434 3.517 7.016 1.00 13.90 C ATOM 0 H ILE A 44 -0.859 1.974 4.885 1.00 4.58 H new ATOM 0 HA ILE A 44 0.305 4.492 5.834 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.061 2.498 7.563 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.242 4.952 8.079 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.032 4.996 6.340 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.531 4.013 9.450 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.914 3.298 8.696 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.478 4.990 8.358 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.278 4.202 6.932 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.366 2.912 6.112 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -3.579 2.866 7.878 1.00 13.90 H new ATOM 718 N PHE A 45 2.404 2.951 6.631 1.00 6.75 N ATOM 719 CA PHE A 45 3.574 2.165 6.959 1.00 4.70 C ATOM 720 C PHE A 45 4.091 2.791 8.282 1.00 6.34 C ATOM 721 O PHE A 45 4.344 3.992 8.267 1.00 5.45 O ATOM 722 CB PHE A 45 4.778 2.355 5.968 1.00 5.51 C ATOM 723 CG PHE A 45 6.003 1.532 6.410 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.046 0.104 6.631 1.00 6.86 C ATOM 725 CD2 PHE A 45 7.184 2.170 6.602 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.231 -0.560 6.997 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.396 1.519 6.980 1.00 6.64 C ATOM 728 CZ PHE A 45 8.395 0.103 7.184 1.00 6.84 C ATOM 0 H PHE A 45 2.578 3.950 6.744 1.00 6.75 H new ATOM 0 HA PHE A 45 3.287 1.113 6.964 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.477 2.053 4.965 1.00 5.51 H new ATOM 0 HB3 PHE A 45 5.046 3.410 5.916 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.140 -0.471 6.511 1.00 6.86 H new ATOM 0 HD2 PHE A 45 7.209 3.240 6.460 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.211 -1.631 7.133 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.304 2.089 7.111 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.294 -0.419 7.478 1.00 6.84 H new ATOM 738 N ALA A 46 4.237 2.057 9.361 1.00 6.53 N ATOM 739 CA ALA A 46 4.629 2.526 10.701 1.00 7.15 C ATOM 740 C ALA A 46 4.012 3.854 11.237 1.00 9.00 C ATOM 741 O ALA A 46 4.743 4.763 11.595 1.00 11.15 O ATOM 742 CB ALA A 46 6.190 2.450 10.946 1.00 8.99 C ATOM 0 H ALA A 46 4.079 1.050 9.341 1.00 6.53 H new ATOM 0 HA ALA A 46 4.133 1.786 11.329 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.419 2.808 11.950 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.524 1.418 10.844 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.704 3.072 10.213 1.00 8.99 H new ATOM 748 N GLY A 47 2.686 4.014 11.314 1.00 9.35 N ATOM 749 CA GLY A 47 2.009 5.185 11.851 1.00 11.68 C ATOM 750 C GLY A 47 1.946 6.446 11.022 1.00 11.14 C ATOM 751 O GLY A 47 1.268 7.428 11.326 1.00 13.93 O ATOM 0 H GLY A 47 2.035 3.299 10.989 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.985 4.894 12.083 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.490 5.437 12.796 1.00 11.68 H new ATOM 755 N LYS A 48 2.531 6.418 9.853 1.00 10.47 N ATOM 756 CA LYS A 48 2.569 7.455 8.873 1.00 8.82 C ATOM 757 C LYS A 48 1.743 7.104 7.644 1.00 7.68 C ATOM 758 O LYS A 48 2.040 6.165 6.883 1.00 6.47 O ATOM 759 CB LYS A 48 4.041 7.744 8.454 1.00 9.74 C ATOM 760 CG LYS A 48 5.008 8.203 9.548 1.00 14.14 C ATOM 761 CD LYS A 48 4.431 9.238 10.549 1.00 16.32 C ATOM 762 CE LYS A 48 4.109 10.621 9.943 1.00 20.04 C ATOM 763 NZ LYS A 48 3.313 11.384 10.892 1.00 23.92 N ATOM 0 H LYS A 48 3.037 5.589 9.541 1.00 10.47 H new ATOM 0 HA LYS A 48 2.135 8.347 9.324 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.447 6.838 8.004 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.026 8.507 7.676 1.00 9.74 H new ATOM 0 HG2 LYS A 48 5.341 7.328 10.106 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.890 8.633 9.074 1.00 14.14 H new ATOM 0 HD2 LYS A 48 3.521 8.829 10.987 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.144 9.371 11.362 1.00 16.32 H new ATOM 0 HE2 LYS A 48 5.031 11.154 9.712 1.00 20.04 H new ATOM 0 HE3 LYS A 48 3.565 10.503 9.006 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 3.093 12.317 10.489 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 2.428 10.875 11.091 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 3.848 11.506 11.775 1.00 23.92 H new ATOM 777 N GLN A 49 0.691 7.904 7.340 1.00 8.89 N ATOM 778 CA GLN A 49 -0.013 7.895 6.082 1.00 7.18 C ATOM 779 C GLN A 49 0.853 8.169 4.870 1.00 8.23 C ATOM 780 O GLN A 49 1.674 9.053 4.906 1.00 9.70 O ATOM 781 CB GLN A 49 -1.224 8.880 6.041 1.00 11.67 C ATOM 782 CG GLN A 49 -2.241 8.684 7.172 1.00 15.82 C ATOM 783 CD GLN A 49 -3.414 9.638 7.052 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.519 9.215 6.702 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.237 10.909 7.369 1.00 20.67 N ATOM 0 H GLN A 49 0.316 8.586 8.000 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.371 6.867 6.024 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -0.847 9.902 6.082 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.736 8.767 5.085 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.606 7.657 7.158 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -1.748 8.834 8.133 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.316 11.240 7.656 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.022 11.559 7.327 1.00 20.67 H new ATOM 794 N LEU A 50 0.700 7.388 3.756 1.00 6.51 N ATOM 795 CA LEU A 50 1.516 7.510 2.564 1.00 7.41 C ATOM 796 C LEU A 50 0.747 8.202 1.435 1.00 8.27 C ATOM 797 O LEU A 50 -0.467 8.200 1.420 1.00 8.34 O ATOM 798 CB LEU A 50 1.905 6.056 2.121 1.00 7.13 C ATOM 799 CG LEU A 50 2.387 5.072 3.254 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.770 3.718 2.687 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.542 5.596 4.135 1.00 9.11 C ATOM 0 H LEU A 50 -0.008 6.657 3.687 1.00 6.51 H new ATOM 0 HA LEU A 50 2.398 8.114 2.777 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.042 5.609 1.628 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.696 6.129 1.375 1.00 7.13 H new ATOM 0 HG LEU A 50 1.519 4.983 3.907 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.098 3.064 3.495 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.908 3.275 2.189 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.580 3.840 1.969 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.799 4.845 4.883 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.412 5.799 3.511 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.231 6.514 4.634 1.00 9.11 H new ATOM 813 N GLU A 51 1.503 8.807 0.494 1.00 9.43 N ATOM 814 CA GLU A 51 0.942 9.631 -0.528 1.00 11.90 C ATOM 815 C GLU A 51 1.364 9.014 -1.837 1.00 11.49 C ATOM 816 O GLU A 51 2.358 8.322 -1.954 1.00 9.88 O ATOM 817 CB GLU A 51 1.541 11.032 -0.415 1.00 16.56 C ATOM 818 CG GLU A 51 0.840 11.794 0.708 1.00 26.06 C ATOM 819 CD GLU A 51 1.517 13.094 1.075 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.772 13.982 0.161 1.00 32.13 O ATOM 821 OE2 GLU A 51 1.811 13.364 2.289 1.00 33.44 O ATOM 0 H GLU A 51 2.518 8.720 0.446 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.143 9.702 -0.448 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.610 10.967 -0.213 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.426 11.566 -1.358 1.00 16.56 H new ATOM 0 HG2 GLU A 51 -0.187 12.002 0.408 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.792 11.158 1.592 1.00 26.06 H new ATOM 828 N ASP A 52 0.564 9.306 -2.842 1.00 12.71 N ATOM 829 CA ASP A 52 0.390 8.398 -3.976 1.00 16.56 C ATOM 830 C ASP A 52 1.668 8.327 -4.837 1.00 15.83 C ATOM 831 O ASP A 52 2.142 7.251 -5.182 1.00 17.21 O ATOM 832 CB ASP A 52 -0.732 8.895 -4.903 1.00 21.05 C ATOM 833 CG ASP A 52 -2.027 8.592 -4.326 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.372 7.382 -4.382 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.835 9.496 -3.899 1.00 28.37 O ATOM 0 H ASP A 52 0.019 10.166 -2.904 1.00 12.71 H new ATOM 0 HA ASP A 52 0.153 7.421 -3.556 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.637 9.970 -5.058 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.642 8.423 -5.881 1.00 21.05 H new ATOM 840 N GLY A 53 2.279 9.514 -5.160 1.00 15.00 N ATOM 841 CA GLY A 53 3.557 9.581 -5.964 1.00 11.77 C ATOM 842 C GLY A 53 4.868 9.308 -5.233 1.00 11.10 C ATOM 843 O GLY A 53 5.922 9.268 -5.851 1.00 11.25 O ATOM 0 H GLY A 53 1.917 10.426 -4.883 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.475 8.868 -6.784 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.622 10.574 -6.410 1.00 11.77 H new ATOM 847 N ARG A 54 4.823 9.112 -3.933 1.00 8.53 N ATOM 848 CA ARG A 54 5.994 8.811 -3.133 1.00 9.05 C ATOM 849 C ARG A 54 6.460 7.371 -3.335 1.00 8.96 C ATOM 850 O ARG A 54 5.709 6.371 -3.565 1.00 11.60 O ATOM 851 CB ARG A 54 5.656 9.152 -1.617 1.00 7.97 C ATOM 852 CG ARG A 54 5.512 10.673 -1.335 1.00 9.62 C ATOM 853 CD ARG A 54 6.724 11.577 -1.727 1.00 12.20 C ATOM 854 NE ARG A 54 6.234 13.014 -1.394 1.00 18.23 N ATOM 855 CZ ARG A 54 7.189 13.993 -1.202 1.00 22.08 C ATOM 856 NH1 ARG A 54 8.500 13.831 -1.396 1.00 25.50 N ATOM 857 NH2 ARG A 54 6.742 15.179 -0.789 1.00 23.38 N ATOM 0 H ARG A 54 3.959 9.158 -3.392 1.00 8.53 H new ATOM 0 HA ARG A 54 6.837 9.425 -3.450 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.729 8.651 -1.339 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.441 8.746 -0.979 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.632 11.036 -1.865 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.319 10.805 -0.270 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.618 11.317 -1.160 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.976 11.474 -2.783 1.00 12.20 H new ATOM 0 HE ARG A 54 5.239 13.227 -1.320 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.862 12.930 -1.710 1.00 25.50 H new ATOM 0 HH12 ARG A 54 9.140 14.608 -1.231 1.00 25.50 H new ATOM 0 HH21 ARG A 54 5.744 15.322 -0.633 1.00 23.38 H new ATOM 0 HH22 ARG A 54 7.398 15.944 -0.629 1.00 23.38 H new ATOM 871 N THR A 55 7.770 7.232 -3.337 1.00 9.05 N ATOM 872 CA THR A 55 8.468 5.983 -3.517 1.00 9.03 C ATOM 873 C THR A 55 8.653 5.295 -2.205 1.00 8.15 C ATOM 874 O THR A 55 8.956 5.947 -1.217 1.00 5.91 O ATOM 875 CB THR A 55 9.794 6.075 -4.355 1.00 11.15 C ATOM 876 OG1 THR A 55 10.866 6.932 -3.885 1.00 11.95 O ATOM 877 CG2 THR A 55 9.491 6.580 -5.791 1.00 11.71 C ATOM 0 H THR A 55 8.401 8.023 -3.207 1.00 9.05 H new ATOM 0 HA THR A 55 7.824 5.366 -4.143 1.00 9.03 H new ATOM 0 HB THR A 55 10.153 5.049 -4.274 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.625 6.381 -3.602 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.419 6.639 -6.359 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.807 5.889 -6.283 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.034 7.568 -5.740 1.00 11.71 H new ATOM 885 N LEU A 56 8.654 3.940 -2.273 1.00 6.91 N ATOM 886 CA LEU A 56 8.878 3.054 -1.187 1.00 8.29 C ATOM 887 C LEU A 56 10.203 3.277 -0.429 1.00 8.05 C ATOM 888 O LEU A 56 10.336 3.108 0.784 1.00 10.17 O ATOM 889 CB LEU A 56 8.730 1.553 -1.593 1.00 6.60 C ATOM 890 CG LEU A 56 7.337 1.116 -1.976 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.482 -0.217 -2.696 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.425 0.883 -0.741 1.00 8.64 C ATOM 0 H LEU A 56 8.486 3.446 -3.149 1.00 6.91 H new ATOM 0 HA LEU A 56 8.082 3.306 -0.486 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.397 1.354 -2.432 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.070 0.935 -0.762 1.00 6.60 H new ATOM 0 HG LEU A 56 6.881 1.896 -2.586 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.498 -0.578 -2.995 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.105 -0.087 -3.581 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.947 -0.942 -2.028 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.435 0.570 -1.073 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.858 0.107 -0.110 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.341 1.808 -0.171 1.00 8.64 H new ATOM 904 N SER A 57 11.168 3.753 -1.219 1.00 8.92 N ATOM 905 CA SER A 57 12.489 4.123 -0.827 1.00 9.00 C ATOM 906 C SER A 57 12.563 5.256 0.145 1.00 9.44 C ATOM 907 O SER A 57 13.361 5.301 1.114 1.00 10.91 O ATOM 908 CB SER A 57 13.325 4.421 -2.119 1.00 10.32 C ATOM 909 OG SER A 57 12.812 5.482 -2.937 1.00 13.59 O ATOM 0 H SER A 57 11.014 3.892 -2.218 1.00 8.92 H new ATOM 0 HA SER A 57 12.909 3.280 -0.278 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.345 4.668 -1.825 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.377 3.512 -2.718 1.00 10.32 H new ATOM 0 HG SER A 57 13.391 5.602 -3.718 1.00 13.59 H new ATOM 915 N ASP A 58 11.735 6.285 -0.070 1.00 9.11 N ATOM 916 CA ASP A 58 11.732 7.534 0.717 1.00 7.91 C ATOM 917 C ASP A 58 11.284 7.183 2.130 1.00 9.12 C ATOM 918 O ASP A 58 11.806 7.764 3.106 1.00 8.61 O ATOM 919 CB ASP A 58 10.724 8.517 0.015 1.00 8.41 C ATOM 920 CG ASP A 58 10.567 9.876 0.730 1.00 11.50 C ATOM 921 OD1 ASP A 58 9.754 10.140 1.622 1.00 11.70 O ATOM 922 OD2 ASP A 58 11.327 10.755 0.258 1.00 10.05 O ATOM 0 H ASP A 58 11.033 6.277 -0.810 1.00 9.11 H new ATOM 0 HA ASP A 58 12.712 8.008 0.771 1.00 7.91 H new ATOM 0 HB2 ASP A 58 11.058 8.693 -1.008 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.748 8.036 -0.047 1.00 8.41 H new ATOM 927 N TYR A 59 10.291 6.273 2.228 1.00 7.97 N ATOM 928 CA TYR A 59 9.701 5.874 3.481 1.00 8.45 C ATOM 929 C TYR A 59 10.507 4.758 4.217 1.00 10.98 C ATOM 930 O TYR A 59 10.247 4.495 5.412 1.00 12.95 O ATOM 931 CB TYR A 59 8.257 5.305 3.175 1.00 7.94 C ATOM 932 CG TYR A 59 7.322 6.369 2.705 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.997 7.457 3.533 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.763 6.167 1.431 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.963 8.306 3.037 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.722 6.990 1.026 1.00 6.52 C ATOM 937 CZ TYR A 59 5.307 8.078 1.819 1.00 6.76 C ATOM 938 OH TYR A 59 4.345 9.030 1.365 1.00 7.63 O ATOM 0 H TYR A 59 9.887 5.802 1.419 1.00 7.97 H new ATOM 0 HA TYR A 59 9.687 6.750 4.130 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.328 4.525 2.417 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.853 4.840 4.074 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.493 7.637 4.475 1.00 4.59 H new ATOM 0 HD2 TYR A 59 7.136 5.388 0.782 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.673 9.163 3.626 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.222 6.794 0.089 1.00 6.52 H new ATOM 0 HH TYR A 59 4.587 9.921 1.693 1.00 7.63 H new ATOM 948 N ASN A 60 11.593 4.256 3.589 1.00 12.38 N ATOM 949 CA ASN A 60 12.594 3.404 4.077 1.00 13.94 C ATOM 950 C ASN A 60 12.036 1.916 4.025 1.00 14.16 C ATOM 951 O ASN A 60 12.316 1.085 4.904 1.00 14.26 O ATOM 952 CB ASN A 60 13.136 3.668 5.492 1.00 19.23 C ATOM 953 CG ASN A 60 13.678 5.049 5.661 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.415 5.526 4.780 1.00 25.45 O ATOM 955 ND2 ASN A 60 13.212 5.747 6.699 1.00 24.09 N ATOM 0 H ASN A 60 11.769 4.494 2.613 1.00 12.38 H new ATOM 0 HA ASN A 60 13.450 3.592 3.429 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.338 3.506 6.217 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.921 2.946 5.715 1.00 19.23 H new ATOM 0 HD21 ASN A 60 13.457 6.732 6.803 1.00 24.09 H new ATOM 0 HD22 ASN A 60 12.610 5.296 7.388 1.00 24.09 H new ATOM 962 N ILE A 61 11.135 1.536 3.033 1.00 11.08 N ATOM 963 CA ILE A 61 10.500 0.249 3.046 1.00 11.78 C ATOM 964 C ILE A 61 11.337 -0.871 2.351 1.00 13.74 C ATOM 965 O ILE A 61 11.482 -0.835 1.111 1.00 14.60 O ATOM 966 CB ILE A 61 9.116 0.338 2.504 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.247 1.348 3.359 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.418 -1.059 2.348 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.951 1.806 2.650 1.00 11.42 C ATOM 0 H ILE A 61 10.869 2.129 2.247 1.00 11.08 H new ATOM 0 HA ILE A 61 10.437 -0.056 4.090 1.00 11.78 H new ATOM 0 HB ILE A 61 9.197 0.731 1.490 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.985 0.877 4.306 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.851 2.224 3.595 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.413 -0.921 1.949 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.997 -1.681 1.666 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.358 -1.546 3.321 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.408 2.496 3.295 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.205 2.307 1.716 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.326 0.938 2.439 1.00 11.42 H new ATOM 981 N GLN A 62 12.001 -1.754 3.077 1.00 13.97 N ATOM 982 CA GLN A 62 12.873 -2.826 2.551 1.00 15.52 C ATOM 983 C GLN A 62 12.074 -4.141 2.285 1.00 13.94 C ATOM 984 O GLN A 62 10.896 -4.264 2.586 1.00 12.15 O ATOM 985 CB GLN A 62 14.006 -3.124 3.646 1.00 19.53 C ATOM 986 CG GLN A 62 13.525 -3.372 5.018 1.00 26.38 C ATOM 987 CD GLN A 62 14.648 -3.951 5.837 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.725 -5.171 6.015 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.507 -3.083 6.348 1.00 32.71 N ATOM 0 H GLN A 62 11.954 -1.755 4.096 1.00 13.97 H new ATOM 0 HA GLN A 62 13.303 -2.496 1.605 1.00 15.52 H new ATOM 0 HB2 GLN A 62 14.580 -3.992 3.320 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.693 -2.278 3.670 1.00 19.53 H new ATOM 0 HG2 GLN A 62 13.173 -2.443 5.467 1.00 26.38 H new ATOM 0 HG3 GLN A 62 12.679 -4.059 5.001 1.00 26.38 H new ATOM 0 HE21 GLN A 62 15.393 -2.086 6.167 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.283 -3.411 6.923 1.00 32.71 H new ATOM 998 N LYS A 63 12.742 -5.167 1.650 1.00 11.73 N ATOM 999 CA LYS A 63 12.197 -6.498 1.550 1.00 11.97 C ATOM 1000 C LYS A 63 11.563 -7.035 2.848 1.00 10.41 C ATOM 1001 O LYS A 63 12.114 -6.778 3.900 1.00 9.59 O ATOM 1002 CB LYS A 63 13.328 -7.431 0.999 1.00 13.73 C ATOM 1003 CG LYS A 63 14.394 -7.951 2.011 1.00 16.98 C ATOM 1004 CD LYS A 63 15.440 -8.769 1.316 1.00 20.19 C ATOM 1005 CE LYS A 63 14.970 -10.099 0.790 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.043 -10.920 0.256 1.00 25.97 N ATOM 0 H LYS A 63 13.657 -5.058 1.212 1.00 11.73 H new ATOM 0 HA LYS A 63 11.351 -6.472 0.863 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.854 -8.297 0.537 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.851 -6.894 0.208 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.864 -7.107 2.516 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.908 -8.552 2.780 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.839 -8.188 0.485 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.263 -8.941 2.009 1.00 20.19 H new ATOM 0 HE2 LYS A 63 14.471 -10.643 1.592 1.00 23.42 H new ATOM 0 HE3 LYS A 63 14.228 -9.931 0.009 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 15.653 -11.820 -0.089 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.505 -10.419 -0.530 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.741 -11.109 1.004 1.00 25.97 H new ATOM 1020 N GLU A 64 10.459 -7.749 2.783 1.00 10.04 N ATOM 1021 CA GLU A 64 9.816 -8.465 3.909 1.00 10.94 C ATOM 1022 C GLU A 64 9.182 -7.613 4.981 1.00 9.74 C ATOM 1023 O GLU A 64 8.732 -8.071 6.032 1.00 9.42 O ATOM 1024 CB GLU A 64 10.631 -9.692 4.471 1.00 18.31 C ATOM 1025 CG GLU A 64 10.547 -10.894 3.483 1.00 24.16 C ATOM 1026 CD GLU A 64 11.362 -12.037 4.025 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.163 -12.483 5.184 1.00 31.72 O ATOM 1028 OE2 GLU A 64 12.202 -12.598 3.243 1.00 32.61 O ATOM 0 H GLU A 64 9.946 -7.863 1.909 1.00 10.04 H new ATOM 0 HA GLU A 64 8.952 -8.904 3.410 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.673 -9.408 4.621 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.237 -9.984 5.444 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.509 -11.201 3.352 1.00 24.16 H new ATOM 0 HG3 GLU A 64 10.918 -10.600 2.501 1.00 24.16 H new ATOM 1035 N SER A 65 8.914 -6.326 4.604 1.00 6.85 N ATOM 1036 CA SER A 65 8.211 -5.354 5.471 1.00 6.90 C ATOM 1037 C SER A 65 6.700 -5.568 5.445 1.00 4.72 C ATOM 1038 O SER A 65 6.261 -6.089 4.482 1.00 3.91 O ATOM 1039 CB SER A 65 8.480 -3.853 5.194 1.00 7.28 C ATOM 1040 OG SER A 65 9.831 -3.461 5.119 1.00 10.56 O ATOM 0 H SER A 65 9.181 -5.945 3.696 1.00 6.85 H new ATOM 0 HA SER A 65 8.639 -5.569 6.450 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.995 -3.587 4.255 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.998 -3.269 5.978 1.00 7.28 H new ATOM 0 HG SER A 65 10.203 -3.734 4.255 1.00 10.56 H new ATOM 1046 N THR A 66 6.085 -5.133 6.566 1.00 4.48 N ATOM 1047 CA THR A 66 4.658 -5.203 6.683 1.00 3.80 C ATOM 1048 C THR A 66 4.055 -3.785 6.626 1.00 4.60 C ATOM 1049 O THR A 66 4.432 -2.843 7.324 1.00 5.33 O ATOM 1050 CB THR A 66 4.132 -6.099 7.835 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.474 -7.451 7.489 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.613 -5.952 7.963 1.00 3.40 C ATOM 0 H THR A 66 6.566 -4.741 7.376 1.00 4.48 H new ATOM 0 HA THR A 66 4.288 -5.747 5.814 1.00 3.80 H new ATOM 0 HB THR A 66 4.573 -5.815 8.791 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.161 -8.058 8.192 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.253 -6.585 8.774 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.365 -4.912 8.176 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.138 -6.254 7.029 1.00 3.40 H new ATOM 1060 N LEU A 67 3.015 -3.682 5.801 1.00 4.17 N ATOM 1061 CA LEU A 67 2.336 -2.450 5.434 1.00 3.85 C ATOM 1062 C LEU A 67 0.860 -2.615 5.763 1.00 3.80 C ATOM 1063 O LEU A 67 0.403 -3.766 5.971 1.00 5.54 O ATOM 1064 CB LEU A 67 2.540 -2.090 3.961 1.00 7.18 C ATOM 1065 CG LEU A 67 3.584 -1.065 3.596 1.00 9.67 C ATOM 1066 CD1 LEU A 67 5.013 -1.653 3.793 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.392 -0.422 2.217 1.00 11.66 C ATOM 0 H LEU A 67 2.605 -4.500 5.350 1.00 4.17 H new ATOM 0 HA LEU A 67 2.761 -1.622 6.002 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.782 -3.010 3.428 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.584 -1.738 3.573 1.00 7.18 H new ATOM 0 HG LEU A 67 3.454 -0.233 4.288 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.756 -0.901 3.525 1.00 8.12 H new ATOM 0 HD12 LEU A 67 5.147 -1.941 4.836 1.00 8.12 H new ATOM 0 HD13 LEU A 67 5.137 -2.529 3.156 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.188 0.302 2.039 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.425 -1.194 1.448 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.427 0.084 2.183 1.00 11.66 H new ATOM 1079 N HIS A 68 0.107 -1.460 5.803 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.269 -1.478 6.162 1.00 4.17 C ATOM 1081 C HIS A 68 -2.263 -1.016 5.059 1.00 5.32 C ATOM 1082 O HIS A 68 -2.049 0.002 4.370 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.420 -0.469 7.328 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.595 -0.912 8.515 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.783 -0.828 8.583 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.971 -1.318 9.773 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.156 -1.244 9.744 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.147 -1.526 10.541 1.00 16.30 N ATOM 0 H HIS A 68 0.473 -0.534 5.584 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.518 -2.515 6.388 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.101 0.522 7.004 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.468 -0.388 7.615 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -1.990 -1.453 10.106 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.191 -1.350 10.034 1.00 14.75 H new ATOM 0 HE2 HIS A 68 0.187 -1.831 11.513 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.348 -1.757 4.837 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.371 -1.517 3.818 1.00 3.97 C ATOM 1098 C LEU A 69 -5.623 -1.236 4.499 1.00 5.07 C ATOM 1099 O LEU A 69 -6.308 -2.049 5.090 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.534 -2.768 2.953 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.669 -2.785 1.916 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.745 -1.476 1.200 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.493 -3.983 0.884 1.00 9.96 C ATOM 0 H LEU A 69 -3.549 -2.587 5.394 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.085 -0.680 3.181 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.595 -2.933 2.424 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.678 -3.619 3.619 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.607 -2.943 2.449 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.554 -1.507 0.470 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.935 -0.679 1.919 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.802 -1.286 0.688 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.312 -3.967 0.165 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.545 -3.873 0.358 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.502 -4.931 1.422 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.057 0.026 4.492 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.307 0.381 5.115 1.00 6.26 C ATOM 1117 C VAL A 70 -8.150 0.863 3.962 1.00 9.22 C ATOM 1118 O VAL A 70 -7.756 1.339 2.942 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.087 1.354 6.249 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.425 1.787 6.908 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.250 0.639 7.361 1.00 8.54 C ATOM 0 H VAL A 70 -5.557 0.804 4.062 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.823 -0.434 5.622 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.584 2.230 5.840 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.222 2.487 7.719 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -9.058 2.269 6.163 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.935 0.910 7.305 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.081 1.328 8.189 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.794 -0.234 7.721 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.291 0.325 6.949 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.457 0.551 4.033 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.434 0.989 3.097 1.00 16.06 C ATOM 1133 C LEU A 71 -10.842 2.466 3.254 1.00 18.09 C ATOM 1134 O LEU A 71 -10.412 3.145 4.197 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.661 0.090 3.055 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.262 -1.385 2.708 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.417 -2.360 2.750 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -10.589 -1.586 1.349 1.00 19.57 C ATOM 0 H LEU A 71 -9.844 -0.031 4.776 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.929 0.910 2.134 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.169 0.116 4.019 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.366 0.464 2.313 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.544 -1.590 3.502 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -12.060 -3.359 2.498 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.848 -2.370 3.751 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -13.177 -2.055 2.031 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -10.356 -2.642 1.211 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -11.262 -1.257 0.557 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.669 -1.003 1.309 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.638 2.985 2.288 1.00 21.47 N ATOM 1151 CA ARG A 72 -12.232 4.270 2.192 1.00 25.83 C ATOM 1152 C ARG A 72 -13.569 4.110 1.487 1.00 27.74 C ATOM 1153 O ARG A 72 -13.753 3.271 0.616 1.00 30.65 O ATOM 1154 CB ARG A 72 -11.298 5.155 1.355 1.00 28.49 C ATOM 1155 CG ARG A 72 -11.832 6.539 0.966 1.00 31.79 C ATOM 1156 CD ARG A 72 -10.723 7.303 0.225 1.00 34.05 C ATOM 1157 NE ARG A 72 -11.229 8.660 -0.023 1.00 35.08 N ATOM 1158 CZ ARG A 72 -10.749 9.502 -0.971 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -9.688 9.247 -1.745 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -11.371 10.632 -1.269 1.00 35.02 N ATOM 0 H ARG A 72 -11.886 2.416 1.478 1.00 21.47 H new ATOM 0 HA ARG A 72 -12.385 4.722 3.172 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -10.370 5.291 1.910 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -11.047 4.617 0.441 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -12.712 6.440 0.331 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -12.141 7.089 1.855 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -9.811 7.334 0.822 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -10.473 6.807 -0.713 1.00 34.05 H new ATOM 0 HE ARG A 72 -11.997 8.993 0.560 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -9.181 8.368 -1.642 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -9.386 9.932 -2.438 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -12.230 10.885 -0.781 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -10.991 11.250 -1.986 1.00 35.02 H new ATOM 1174 N LEU A 73 -14.524 4.953 1.934 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.885 4.944 1.495 1.00 30.76 C ATOM 1176 C LEU A 73 -16.091 6.093 0.529 1.00 32.18 C ATOM 1177 O LEU A 73 -15.285 7.036 0.527 1.00 32.31 O ATOM 1178 CB LEU A 73 -16.954 5.164 2.622 1.00 30.53 C ATOM 1179 CG LEU A 73 -17.299 3.896 3.504 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -18.135 4.255 4.707 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -18.016 2.824 2.686 1.00 29.11 C ATOM 0 H LEU A 73 -14.335 5.672 2.633 1.00 28.93 H new ATOM 0 HA LEU A 73 -16.032 3.951 1.070 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -16.600 5.956 3.282 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -17.874 5.522 2.159 1.00 30.53 H new ATOM 0 HG LEU A 73 -16.346 3.497 3.853 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -18.348 3.355 5.284 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -17.590 4.965 5.330 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -19.072 4.705 4.378 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -18.238 1.968 3.323 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -18.946 3.231 2.288 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -17.377 2.507 1.862 1.00 29.11 H new ATOM 1193 N ARG A 74 -17.167 6.069 -0.286 1.00 33.82 N ATOM 1194 CA ARG A 74 -17.544 7.292 -0.967 1.00 35.33 C ATOM 1195 C ARG A 74 -17.976 8.443 0.029 1.00 36.22 C ATOM 1196 O ARG A 74 -18.473 8.280 1.133 1.00 36.70 O ATOM 1197 CB ARG A 74 -18.641 7.124 -2.013 1.00 36.91 C ATOM 1198 CG ARG A 74 -18.479 6.082 -3.104 1.00 38.62 C ATOM 1199 CD ARG A 74 -17.548 6.568 -4.301 1.00 39.75 C ATOM 1200 NE ARG A 74 -17.651 5.522 -5.380 1.00 41.13 N ATOM 1201 CZ ARG A 74 -16.945 5.669 -6.475 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -16.284 6.790 -6.821 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -16.785 4.605 -7.233 1.00 41.93 N ATOM 0 H ARG A 74 -17.753 5.255 -0.473 1.00 33.82 H new ATOM 0 HA ARG A 74 -16.627 7.575 -1.484 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -19.567 6.901 -1.483 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -18.778 8.089 -2.501 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -18.059 5.174 -2.671 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -19.461 5.822 -3.498 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -17.871 7.541 -4.672 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -16.516 6.681 -3.968 1.00 39.75 H new ATOM 0 HE ARG A 74 -18.260 4.713 -5.261 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -16.311 7.607 -6.211 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -15.756 6.822 -7.693 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -17.202 3.716 -6.958 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -16.244 4.670 -8.095 1.00 41.93 H new ATOM 1217 N GLY A 75 -17.679 9.750 -0.350 1.00 36.31 N ATOM 1218 CA GLY A 75 -18.083 10.917 0.334 1.00 36.07 C ATOM 1219 C GLY A 75 -17.044 11.339 1.398 1.00 36.16 C ATOM 1220 O GLY A 75 -17.363 12.174 2.242 1.00 36.26 O ATOM 0 H GLY A 75 -17.127 9.957 -1.182 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -18.224 11.728 -0.380 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -19.046 10.744 0.813 1.00 36.07 H new ATOM 1224 N GLY A 76 -15.822 10.813 1.305 1.00 36.05 N ATOM 1225 CA GLY A 76 -14.668 11.263 2.139 1.00 36.19 C ATOM 1226 C GLY A 76 -13.315 10.824 1.609 1.00 36.20 C ATOM 1227 O GLY A 76 -12.381 11.654 1.309 1.00 0.00 O ATOM 1228 OXT GLY A 76 -13.155 9.580 1.533 1.00 0.00 O ATOM 0 H GLY A 76 -15.587 10.063 0.655 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -14.685 12.351 2.207 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -14.793 10.878 3.151 1.00 36.19 H new TER 1232 GLY A 76