USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 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 7 THR OG1 : rot 124:sc= 0.439 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0.203 USER MOD Single : A 1 MET CE :methyl 170:sc= -0.993 (180deg=-1.12) USER MOD Single : A 1 MET N :NH3+ -158:sc= 2.38 (180deg=1.64) 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 11 LYS NZ :NH3+ 164:sc= 1.25 (180deg=1.12) 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= 0.00272 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.2 USER MOD Single : A 25 ASN : amide:sc= 1.19 K(o=1.2,f=-1.4) USER MOD Single : A 27 LYS NZ :NH3+ -158:sc= 2.37 (180deg=2.2) USER MOD Single : A 29 LYS NZ :NH3+ 175:sc= 0.596 (180deg=0.584) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 33 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0174) USER MOD Single : A 40 GLN : amide:sc= -0.064 X(o=-0.064,f=-0.26) USER MOD Single : A 41 GLN : amide:sc= 1.47 K(o=1.5,f=-3.6!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0125 X(o=-0.012,f=0) USER MOD Single : A 55 THR OG1 : rot -77:sc= 1.56 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 130:sc= 0.697 USER MOD Single : A 60 ASN : amide:sc= -0.253 K(o=-0.25,f=-1.6!) 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 111:sc= 1.34 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.216 X(o=-0.22,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.760 -6.902 -5.181 1.00 9.67 N ATOM 2 CA MET A 1 11.717 -6.840 -3.702 1.00 10.38 C ATOM 3 C MET A 1 10.387 -7.137 -3.038 1.00 9.62 C ATOM 4 O MET A 1 9.324 -6.680 -3.400 1.00 9.62 O ATOM 5 CB MET A 1 12.149 -5.396 -3.308 1.00 13.77 C ATOM 6 CG MET A 1 12.418 -5.243 -1.826 1.00 16.29 C ATOM 7 SD MET A 1 12.751 -3.500 -1.343 1.00 17.17 S ATOM 8 CE MET A 1 11.084 -2.824 -1.377 1.00 16.11 C ATOM 0 H1 MET A 1 12.740 -7.053 -5.494 1.00 9.67 H new ATOM 0 H2 MET A 1 11.165 -7.688 -5.513 1.00 9.67 H new ATOM 0 H3 MET A 1 11.405 -6.008 -5.576 1.00 9.67 H new ATOM 0 HA MET A 1 12.375 -7.634 -3.348 1.00 10.38 H new ATOM 0 HB2 MET A 1 13.047 -5.127 -3.864 1.00 13.77 H new ATOM 0 HB3 MET A 1 11.368 -4.695 -3.604 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.560 -5.614 -1.265 1.00 16.29 H new ATOM 0 HG3 MET A 1 13.272 -5.862 -1.550 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.087 -1.826 -0.938 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.736 -2.766 -2.408 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.418 -3.470 -0.805 1.00 16.11 H new ATOM 20 N GLN A 2 10.406 -8.015 -1.983 1.00 9.27 N ATOM 21 CA GLN A 2 9.113 -8.557 -1.435 1.00 9.07 C ATOM 22 C GLN A 2 8.560 -7.749 -0.265 1.00 8.72 C ATOM 23 O GLN A 2 9.359 -7.375 0.567 1.00 8.22 O ATOM 24 CB GLN A 2 9.226 -10.066 -1.035 1.00 14.46 C ATOM 25 CG GLN A 2 8.002 -10.890 -0.549 1.00 17.01 C ATOM 26 CD GLN A 2 8.352 -12.357 -0.348 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.453 -12.798 0.774 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.571 -13.116 -1.451 1.00 19.49 N ATOM 0 H GLN A 2 11.250 -8.348 -1.517 1.00 9.27 H new ATOM 0 HA GLN A 2 8.403 -8.464 -2.257 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.632 -10.590 -1.901 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.976 -10.125 -0.246 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.632 -10.473 0.388 1.00 17.01 H new ATOM 0 HG3 GLN A 2 7.195 -10.805 -1.277 1.00 17.01 H new ATOM 0 HE21 GLN A 2 8.475 -12.705 -2.380 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.831 -14.097 -1.351 1.00 19.49 H new ATOM 37 N ILE A 3 7.248 -7.508 -0.191 1.00 5.87 N ATOM 38 CA ILE A 3 6.618 -6.873 1.000 1.00 5.07 C ATOM 39 C ILE A 3 5.220 -7.478 1.218 1.00 4.01 C ATOM 40 O ILE A 3 4.624 -8.077 0.358 1.00 4.61 O ATOM 41 CB ILE A 3 6.358 -5.336 0.839 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.435 -5.020 -0.383 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.727 -4.636 0.800 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.984 -3.515 -0.418 1.00 10.83 C ATOM 0 H ILE A 3 6.590 -7.738 -0.936 1.00 5.87 H new ATOM 0 HA ILE A 3 7.318 -7.046 1.817 1.00 5.07 H new ATOM 0 HB ILE A 3 5.797 -4.946 1.688 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.963 -5.260 -1.306 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.554 -5.660 -0.345 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.583 -3.561 0.688 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.264 -4.836 1.727 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.305 -5.014 -0.043 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.345 -3.347 -1.285 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.431 -3.280 0.491 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.863 -2.873 -0.485 1.00 10.83 H new ATOM 56 N PHE A 4 4.680 -7.328 2.475 1.00 4.55 N ATOM 57 CA PHE A 4 3.405 -7.864 2.918 1.00 4.68 C ATOM 58 C PHE A 4 2.358 -6.744 3.129 1.00 5.30 C ATOM 59 O PHE A 4 2.661 -5.583 3.421 1.00 5.58 O ATOM 60 CB PHE A 4 3.504 -8.750 4.144 1.00 4.83 C ATOM 61 CG PHE A 4 4.715 -9.534 4.170 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.910 -10.536 3.206 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.679 -9.188 5.079 1.00 8.34 C ATOM 64 CE1 PHE A 4 6.080 -11.293 3.285 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.865 -9.863 5.107 1.00 10.61 C ATOM 66 CZ PHE A 4 7.025 -10.977 4.320 1.00 8.90 C ATOM 0 H PHE A 4 5.161 -6.808 3.209 1.00 4.55 H new ATOM 0 HA PHE A 4 3.067 -8.508 2.107 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.458 -8.130 5.039 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.643 -9.418 4.175 1.00 4.83 H new ATOM 0 HD1 PHE A 4 4.180 -10.715 2.430 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.501 -8.381 5.774 1.00 8.34 H new ATOM 0 HE1 PHE A 4 6.270 -12.095 2.587 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.670 -9.524 5.742 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.874 -11.625 4.481 1.00 8.90 H new ATOM 76 N VAL A 5 1.007 -7.009 2.921 1.00 4.44 N ATOM 77 CA VAL A 5 -0.025 -5.993 3.158 1.00 3.87 C ATOM 78 C VAL A 5 -1.060 -6.786 3.942 1.00 4.93 C ATOM 79 O VAL A 5 -1.761 -7.758 3.495 1.00 6.84 O ATOM 80 CB VAL A 5 -0.751 -5.365 1.994 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.655 -4.206 2.467 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.303 -4.846 0.995 1.00 9.13 C ATOM 0 H VAL A 5 0.647 -7.907 2.597 1.00 4.44 H new ATOM 0 HA VAL A 5 0.469 -5.133 3.609 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.392 -6.107 1.518 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.167 -3.770 1.609 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.392 -4.585 3.175 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.045 -3.443 2.951 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.198 -4.387 0.143 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.936 -4.107 1.485 1.00 9.13 H new ATOM 0 HG23 VAL A 5 0.917 -5.677 0.649 1.00 9.13 H new ATOM 92 N LYS A 6 -1.449 -6.244 5.156 1.00 6.04 N ATOM 93 CA LYS A 6 -2.367 -6.919 5.947 1.00 6.12 C ATOM 94 C LYS A 6 -3.723 -6.204 5.779 1.00 6.57 C ATOM 95 O LYS A 6 -3.921 -5.017 6.209 1.00 5.76 O ATOM 96 CB LYS A 6 -1.819 -7.004 7.398 1.00 7.45 C ATOM 97 CG LYS A 6 -2.695 -7.895 8.255 1.00 11.12 C ATOM 98 CD LYS A 6 -2.203 -7.845 9.714 1.00 14.54 C ATOM 99 CE LYS A 6 -3.032 -8.914 10.495 1.00 18.84 C ATOM 100 NZ LYS A 6 -2.698 -8.747 11.944 1.00 20.55 N ATOM 0 H LYS A 6 -1.110 -5.361 5.537 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.524 -7.956 5.652 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.801 -7.393 7.384 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.773 -6.006 7.833 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -3.733 -7.567 8.198 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.664 -8.919 7.884 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.136 -8.062 9.772 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -2.350 -6.852 10.140 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -4.100 -8.774 10.326 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -2.784 -9.919 10.155 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -3.230 -9.442 12.505 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.678 -8.896 12.085 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -2.953 -7.786 12.251 1.00 20.55 H new ATOM 114 N THR A 7 -4.774 -6.885 5.245 1.00 7.41 N ATOM 115 CA THR A 7 -6.133 -6.369 5.078 1.00 7.48 C ATOM 116 C THR A 7 -6.965 -6.175 6.338 1.00 8.75 C ATOM 117 O THR A 7 -6.763 -6.847 7.322 1.00 8.58 O ATOM 118 CB THR A 7 -7.003 -7.135 4.057 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.289 -8.476 4.497 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.299 -7.259 2.795 1.00 9.17 C ATOM 0 H THR A 7 -4.679 -7.844 4.911 1.00 7.41 H new ATOM 0 HA THR A 7 -5.885 -5.380 4.693 1.00 7.48 H new ATOM 0 HB THR A 7 -7.928 -6.568 3.952 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.259 -8.613 4.520 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.922 -7.801 2.083 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.078 -6.266 2.403 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.367 -7.803 2.950 1.00 9.17 H new ATOM 128 N LEU A 8 -8.066 -5.332 6.326 1.00 9.84 N ATOM 129 CA LEU A 8 -9.046 -5.250 7.431 1.00 14.15 C ATOM 130 C LEU A 8 -9.878 -6.441 7.741 1.00 17.37 C ATOM 131 O LEU A 8 -10.521 -6.566 8.817 1.00 17.01 O ATOM 132 CB LEU A 8 -10.012 -4.091 7.184 1.00 16.63 C ATOM 133 CG LEU A 8 -9.392 -2.681 7.399 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.249 -1.572 6.782 1.00 19.31 C ATOM 135 CD2 LEU A 8 -9.091 -2.458 8.847 1.00 18.59 C ATOM 0 H LEU A 8 -8.277 -4.706 5.549 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.393 -5.128 8.295 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.387 -4.158 6.163 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.870 -4.202 7.847 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.443 -2.639 6.864 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.776 -0.606 6.958 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.344 -1.740 5.709 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.238 -1.580 7.239 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -8.658 -1.467 8.980 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -10.012 -2.532 9.426 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -8.384 -3.212 9.192 1.00 18.59 H new ATOM 147 N THR A 9 -9.941 -7.458 6.862 1.00 18.33 N ATOM 148 CA THR A 9 -10.655 -8.714 7.054 1.00 19.24 C ATOM 149 C THR A 9 -9.644 -9.745 7.497 1.00 19.48 C ATOM 150 O THR A 9 -10.002 -10.884 7.760 1.00 23.14 O ATOM 151 CB THR A 9 -11.199 -9.335 5.757 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.368 -9.065 4.616 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.491 -8.565 5.379 1.00 19.70 C ATOM 0 H THR A 9 -9.470 -7.415 5.958 1.00 18.33 H new ATOM 0 HA THR A 9 -11.469 -8.487 7.743 1.00 19.24 H new ATOM 0 HB THR A 9 -11.296 -10.404 5.948 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.759 -9.483 3.821 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.906 -8.980 4.460 1.00 19.70 H new ATOM 0 HG22 THR A 9 -13.221 -8.662 6.183 1.00 19.70 H new ATOM 0 HG23 THR A 9 -12.256 -7.512 5.228 1.00 19.70 H new ATOM 161 N GLY A 10 -8.361 -9.307 7.675 1.00 19.43 N ATOM 162 CA GLY A 10 -7.401 -10.133 8.330 1.00 18.74 C ATOM 163 C GLY A 10 -6.458 -10.954 7.500 1.00 17.62 C ATOM 164 O GLY A 10 -5.676 -11.762 8.021 1.00 19.74 O ATOM 0 H GLY A 10 -8.011 -8.400 7.367 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.799 -9.491 8.973 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.945 -10.816 8.982 1.00 18.74 H new ATOM 168 N LYS A 11 -6.467 -10.796 6.192 1.00 13.56 N ATOM 169 CA LYS A 11 -5.596 -11.494 5.195 1.00 11.91 C ATOM 170 C LYS A 11 -4.260 -10.881 5.013 1.00 10.18 C ATOM 171 O LYS A 11 -4.119 -9.660 4.897 1.00 9.10 O ATOM 172 CB LYS A 11 -6.381 -11.470 3.879 1.00 13.43 C ATOM 173 CG LYS A 11 -5.907 -12.525 2.902 1.00 16.69 C ATOM 174 CD LYS A 11 -6.656 -12.291 1.554 1.00 17.92 C ATOM 175 CE LYS A 11 -6.266 -13.284 0.470 1.00 20.81 C ATOM 176 NZ LYS A 11 -6.896 -12.947 -0.786 1.00 21.93 N ATOM 0 H LYS A 11 -7.111 -10.144 5.743 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.380 -12.502 5.550 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.440 -11.623 4.088 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.286 -10.486 3.421 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -4.829 -12.456 2.758 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.114 -13.524 3.287 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.730 -12.356 1.727 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -6.450 -11.280 1.202 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.183 -13.290 0.349 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.558 -14.290 0.770 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -6.420 -13.454 -1.560 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -7.898 -13.222 -0.756 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -6.823 -11.922 -0.947 1.00 21.93 H new ATOM 190 N THR A 12 -3.166 -11.684 5.077 1.00 9.63 N ATOM 191 CA THR A 12 -1.864 -11.196 4.725 1.00 9.85 C ATOM 192 C THR A 12 -1.603 -11.491 3.274 1.00 11.66 C ATOM 193 O THR A 12 -1.412 -12.645 2.897 1.00 12.33 O ATOM 194 CB THR A 12 -0.776 -11.919 5.472 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.796 -11.551 6.842 1.00 10.91 O ATOM 196 CG2 THR A 12 0.691 -11.539 5.042 1.00 9.63 C ATOM 0 H THR A 12 -3.189 -12.661 5.370 1.00 9.63 H new ATOM 0 HA THR A 12 -1.852 -10.131 4.959 1.00 9.85 H new ATOM 0 HB THR A 12 -0.984 -12.968 5.262 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.085 -12.028 7.319 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.404 -12.111 5.636 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.832 -11.769 3.986 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.854 -10.474 5.206 1.00 9.63 H new ATOM 204 N ILE A 13 -1.586 -10.489 2.383 1.00 10.42 N ATOM 205 CA ILE A 13 -1.092 -10.690 1.032 1.00 11.84 C ATOM 206 C ILE A 13 0.397 -10.335 0.881 1.00 10.55 C ATOM 207 O ILE A 13 1.043 -9.662 1.680 1.00 11.92 O ATOM 208 CB ILE A 13 -1.920 -9.899 -0.081 1.00 14.86 C ATOM 209 CG1 ILE A 13 -1.740 -8.377 0.129 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.363 -10.390 -0.040 1.00 17.08 C ATOM 211 CD1 ILE A 13 -2.408 -7.487 -0.927 1.00 16.46 C ATOM 0 H ILE A 13 -1.908 -9.542 2.581 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.227 -11.759 0.865 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.555 -10.094 -1.089 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.138 -8.112 1.108 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -0.673 -8.153 0.148 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -3.948 -9.863 -0.793 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.389 -11.460 -0.244 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.785 -10.199 0.947 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -2.223 -6.439 -0.690 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -1.994 -7.715 -1.909 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -3.482 -7.674 -0.933 1.00 16.46 H new ATOM 223 N THR A 14 1.084 -10.892 -0.125 1.00 9.39 N ATOM 224 CA THR A 14 2.516 -10.777 -0.349 1.00 9.63 C ATOM 225 C THR A 14 2.653 -10.188 -1.786 1.00 11.20 C ATOM 226 O THR A 14 2.026 -10.598 -2.713 1.00 11.63 O ATOM 227 CB THR A 14 3.209 -12.128 -0.262 1.00 10.38 C ATOM 228 OG1 THR A 14 3.140 -12.681 1.078 1.00 16.30 O ATOM 229 CG2 THR A 14 4.702 -11.907 -0.521 1.00 11.66 C ATOM 0 H THR A 14 0.625 -11.462 -0.836 1.00 9.39 H new ATOM 0 HA THR A 14 2.986 -10.149 0.408 1.00 9.63 H new ATOM 0 HB THR A 14 2.726 -12.795 -0.976 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.594 -13.549 1.097 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.226 -12.861 -0.465 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.839 -11.475 -1.512 1.00 11.66 H new ATOM 0 HG23 THR A 14 5.105 -11.227 0.230 1.00 11.66 H new ATOM 237 N LEU A 15 3.456 -9.114 -1.957 1.00 8.29 N ATOM 238 CA LEU A 15 3.585 -8.345 -3.221 1.00 9.03 C ATOM 239 C LEU A 15 5.026 -8.437 -3.723 1.00 8.59 C ATOM 240 O LEU A 15 5.956 -8.210 -2.912 1.00 7.79 O ATOM 241 CB LEU A 15 3.297 -6.877 -2.985 1.00 11.08 C ATOM 242 CG LEU A 15 1.910 -6.579 -2.417 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.664 -5.079 -2.373 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.818 -7.151 -3.310 1.00 15.27 C ATOM 0 H LEU A 15 4.044 -8.749 -1.208 1.00 8.29 H new ATOM 0 HA LEU A 15 2.879 -8.760 -3.941 1.00 9.03 H new ATOM 0 HB2 LEU A 15 4.047 -6.479 -2.301 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.410 -6.343 -3.928 1.00 11.08 H new ATOM 0 HG LEU A 15 1.880 -7.024 -1.422 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.672 -4.885 -1.966 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.415 -4.606 -1.740 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.729 -4.670 -3.381 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.158 -6.924 -2.882 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.891 -6.707 -4.303 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.939 -8.232 -3.386 1.00 15.27 H new ATOM 256 N GLU A 16 5.274 -8.709 -4.955 1.00 11.04 N ATOM 257 CA GLU A 16 6.579 -8.414 -5.543 1.00 11.50 C ATOM 258 C GLU A 16 6.593 -7.000 -6.020 1.00 10.13 C ATOM 259 O GLU A 16 5.821 -6.673 -6.943 1.00 9.83 O ATOM 260 CB GLU A 16 6.712 -9.385 -6.718 1.00 17.22 C ATOM 261 CG GLU A 16 8.068 -9.350 -7.480 1.00 23.33 C ATOM 262 CD GLU A 16 9.275 -9.366 -6.595 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.512 -10.423 -5.946 1.00 28.86 O ATOM 264 OE2 GLU A 16 10.063 -8.367 -6.581 1.00 28.90 O ATOM 0 H GLU A 16 4.604 -9.136 -5.595 1.00 11.04 H new ATOM 0 HA GLU A 16 7.401 -8.529 -4.836 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.552 -10.397 -6.347 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.913 -9.176 -7.429 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.115 -10.206 -8.153 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.099 -8.454 -8.100 1.00 23.33 H new ATOM 271 N VAL A 17 7.382 -6.123 -5.437 1.00 8.99 N ATOM 272 CA VAL A 17 7.560 -4.767 -5.946 1.00 8.85 C ATOM 273 C VAL A 17 9.021 -4.351 -6.346 1.00 8.04 C ATOM 274 O VAL A 17 10.014 -5.086 -6.212 1.00 8.99 O ATOM 275 CB VAL A 17 6.990 -3.709 -4.922 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.408 -3.714 -4.938 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.449 -4.084 -3.499 1.00 10.54 C ATOM 0 H VAL A 17 7.922 -6.324 -4.595 1.00 8.99 H new ATOM 0 HA VAL A 17 6.998 -4.774 -6.880 1.00 8.85 H new ATOM 0 HB VAL A 17 7.357 -2.723 -5.207 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.035 -2.978 -4.226 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.053 -3.464 -5.938 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.044 -4.704 -4.661 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.058 -3.357 -2.787 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.076 -5.076 -3.246 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.538 -4.085 -3.456 1.00 10.54 H new ATOM 287 N GLU A 18 9.176 -3.124 -6.877 1.00 7.29 N ATOM 288 CA GLU A 18 10.458 -2.507 -7.071 1.00 7.08 C ATOM 289 C GLU A 18 10.387 -1.356 -6.103 1.00 6.45 C ATOM 290 O GLU A 18 9.333 -0.729 -5.953 1.00 5.28 O ATOM 291 CB GLU A 18 10.663 -2.063 -8.510 1.00 10.28 C ATOM 292 CG GLU A 18 10.794 -3.287 -9.371 1.00 12.65 C ATOM 293 CD GLU A 18 11.982 -4.228 -9.041 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.037 -3.750 -8.502 1.00 14.33 O ATOM 295 OE2 GLU A 18 11.907 -5.437 -9.355 1.00 18.17 O ATOM 0 H GLU A 18 8.393 -2.545 -7.180 1.00 7.29 H new ATOM 0 HA GLU A 18 11.306 -3.168 -6.893 1.00 7.08 H new ATOM 0 HB2 GLU A 18 9.822 -1.454 -8.842 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.557 -1.444 -8.592 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.870 -3.861 -9.295 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.887 -2.968 -10.409 1.00 12.65 H new ATOM 302 N PRO A 19 11.507 -0.953 -5.451 1.00 7.24 N ATOM 303 CA PRO A 19 11.399 0.030 -4.345 1.00 7.07 C ATOM 304 C PRO A 19 11.329 1.404 -5.013 1.00 6.65 C ATOM 305 O PRO A 19 11.064 2.414 -4.366 1.00 6.37 O ATOM 306 CB PRO A 19 12.651 -0.338 -3.428 1.00 7.61 C ATOM 307 CG PRO A 19 13.618 -0.917 -4.485 1.00 8.16 C ATOM 308 CD PRO A 19 12.745 -1.710 -5.447 1.00 7.49 C ATOM 0 HA PRO A 19 10.526 0.025 -3.692 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.065 0.535 -2.922 1.00 7.61 H new ATOM 0 HB3 PRO A 19 12.399 -1.064 -2.655 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.152 -0.122 -5.005 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.370 -1.555 -4.021 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.187 -1.768 -6.441 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.593 -2.734 -5.106 1.00 7.49 H new ATOM 316 N SER A 20 11.629 1.486 -6.318 1.00 6.80 N ATOM 317 CA SER A 20 11.599 2.697 -7.100 1.00 6.28 C ATOM 318 C SER A 20 10.337 2.853 -7.873 1.00 8.45 C ATOM 319 O SER A 20 10.185 3.722 -8.732 1.00 7.26 O ATOM 320 CB SER A 20 12.761 2.720 -8.174 1.00 8.57 C ATOM 321 OG SER A 20 12.704 1.483 -8.938 1.00 11.13 O ATOM 0 H SER A 20 11.908 0.671 -6.864 1.00 6.80 H new ATOM 0 HA SER A 20 11.703 3.499 -6.370 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.650 3.580 -8.835 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.729 2.819 -7.683 1.00 8.57 H new ATOM 0 HG SER A 20 13.417 1.481 -9.610 1.00 11.13 H new ATOM 327 N ASP A 21 9.304 2.066 -7.538 1.00 7.50 N ATOM 328 CA ASP A 21 7.938 2.221 -8.033 1.00 7.70 C ATOM 329 C ASP A 21 7.129 3.056 -7.077 1.00 7.08 C ATOM 330 O ASP A 21 7.467 3.236 -5.928 1.00 8.11 O ATOM 331 CB ASP A 21 7.294 0.726 -8.041 1.00 11.00 C ATOM 332 CG ASP A 21 6.124 0.657 -8.883 1.00 15.32 C ATOM 333 OD1 ASP A 21 5.894 1.590 -9.700 1.00 18.03 O ATOM 334 OD2 ASP A 21 5.374 -0.380 -8.837 1.00 14.36 O ATOM 0 H ASP A 21 9.405 1.281 -6.895 1.00 7.50 H new ATOM 0 HA ASP A 21 7.936 2.696 -9.014 1.00 7.70 H new ATOM 0 HB2 ASP A 21 8.038 0.010 -8.391 1.00 11.00 H new ATOM 0 HB3 ASP A 21 7.029 0.438 -7.024 1.00 11.00 H new ATOM 339 N THR A 22 5.993 3.560 -7.611 1.00 5.37 N ATOM 340 CA THR A 22 5.113 4.490 -6.946 1.00 6.01 C ATOM 341 C THR A 22 4.227 3.727 -5.948 1.00 8.01 C ATOM 342 O THR A 22 3.825 2.612 -6.216 1.00 8.11 O ATOM 343 CB THR A 22 4.354 5.477 -7.827 1.00 8.92 C ATOM 344 OG1 THR A 22 3.268 4.901 -8.550 1.00 10.22 O ATOM 345 CG2 THR A 22 5.232 6.134 -8.899 1.00 9.65 C ATOM 0 H THR A 22 5.672 3.310 -8.546 1.00 5.37 H new ATOM 0 HA THR A 22 5.760 5.179 -6.403 1.00 6.01 H new ATOM 0 HB THR A 22 3.995 6.201 -7.096 1.00 8.92 H new ATOM 0 HG1 THR A 22 2.830 5.593 -9.089 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.630 6.824 -9.490 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.044 6.680 -8.419 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.647 5.365 -9.551 1.00 9.65 H new ATOM 353 N ILE A 23 3.748 4.432 -4.883 1.00 8.32 N ATOM 354 CA ILE A 23 2.793 3.972 -3.853 1.00 9.92 C ATOM 355 C ILE A 23 1.492 3.629 -4.567 1.00 10.01 C ATOM 356 O ILE A 23 0.945 2.567 -4.454 1.00 8.71 O ATOM 357 CB ILE A 23 2.535 5.040 -2.766 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.774 5.365 -1.929 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.281 4.634 -1.987 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.392 4.321 -1.036 1.00 12.30 C ATOM 0 H ILE A 23 4.042 5.395 -4.718 1.00 8.32 H new ATOM 0 HA ILE A 23 3.211 3.107 -3.338 1.00 9.92 H new ATOM 0 HB ILE A 23 2.330 6.007 -3.224 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.550 5.697 -2.619 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.521 6.218 -1.299 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.078 5.374 -1.213 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.432 4.579 -2.668 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.439 3.659 -1.525 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.259 4.744 -0.528 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.660 3.996 -0.296 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.705 3.467 -1.637 1.00 12.30 H new ATOM 372 N GLU A 24 0.983 4.459 -5.489 1.00 9.54 N ATOM 373 CA GLU A 24 -0.183 4.281 -6.359 1.00 11.81 C ATOM 374 C GLU A 24 -0.051 3.063 -7.271 1.00 11.14 C ATOM 375 O GLU A 24 -1.041 2.393 -7.511 1.00 10.62 O ATOM 376 CB GLU A 24 -0.277 5.498 -7.388 1.00 19.24 C ATOM 377 CG GLU A 24 -1.639 5.590 -8.178 1.00 27.76 C ATOM 378 CD GLU A 24 -1.991 7.002 -8.538 1.00 32.92 C ATOM 379 OE1 GLU A 24 -2.307 7.816 -7.643 1.00 34.80 O ATOM 380 OE2 GLU A 24 -1.662 7.322 -9.695 1.00 36.51 O ATOM 0 H GLU A 24 1.425 5.363 -5.659 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.037 4.192 -5.687 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.125 6.430 -6.843 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.539 5.413 -8.106 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.571 4.991 -9.086 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.438 5.161 -7.573 1.00 27.76 H new ATOM 387 N ASN A 25 1.217 2.819 -7.777 1.00 9.43 N ATOM 388 CA ASN A 25 1.439 1.627 -8.549 1.00 10.96 C ATOM 389 C ASN A 25 1.339 0.367 -7.640 1.00 9.68 C ATOM 390 O ASN A 25 0.998 -0.713 -8.153 1.00 9.33 O ATOM 391 CB ASN A 25 2.794 1.669 -9.217 1.00 16.78 C ATOM 392 CG ASN A 25 2.830 2.548 -10.441 1.00 22.31 C ATOM 393 OD1 ASN A 25 1.756 3.172 -10.836 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.990 2.692 -11.189 1.00 24.70 N ATOM 0 H ASN A 25 2.030 3.422 -7.650 1.00 9.43 H new ATOM 0 HA ASN A 25 0.670 1.573 -9.319 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.533 2.026 -8.500 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.085 0.656 -9.497 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.988 3.275 -12.026 1.00 24.70 H new ATOM 0 HD22 ASN A 25 4.844 2.215 -10.902 1.00 24.70 H new ATOM 401 N VAL A 26 1.624 0.440 -6.297 1.00 6.52 N ATOM 402 CA VAL A 26 1.498 -0.662 -5.334 1.00 5.53 C ATOM 403 C VAL A 26 -0.024 -0.830 -5.143 1.00 4.42 C ATOM 404 O VAL A 26 -0.495 -1.975 -5.077 1.00 3.40 O ATOM 405 CB VAL A 26 2.199 -0.472 -4.031 1.00 3.86 C ATOM 406 CG1 VAL A 26 2.057 -1.851 -3.248 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.655 -0.131 -4.208 1.00 8.12 C ATOM 0 H VAL A 26 1.956 1.301 -5.863 1.00 6.52 H new ATOM 0 HA VAL A 26 1.995 -1.549 -5.728 1.00 5.53 H new ATOM 0 HB VAL A 26 1.755 0.362 -3.488 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.554 -1.773 -2.281 1.00 7.25 H new ATOM 0 HG12 VAL A 26 1.001 -2.077 -3.097 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.519 -2.649 -3.830 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.120 -0.003 -3.231 1.00 8.12 H new ATOM 0 HG22 VAL A 26 4.155 -0.937 -4.745 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.745 0.794 -4.777 1.00 8.12 H new ATOM 417 N LYS A 27 -0.785 0.281 -5.091 1.00 2.64 N ATOM 418 CA LYS A 27 -2.268 0.207 -5.035 1.00 4.14 C ATOM 419 C LYS A 27 -2.914 -0.410 -6.224 1.00 5.58 C ATOM 420 O LYS A 27 -3.885 -1.186 -6.110 1.00 4.11 O ATOM 421 CB LYS A 27 -2.931 1.593 -4.610 1.00 3.97 C ATOM 422 CG LYS A 27 -2.325 2.168 -3.283 1.00 7.45 C ATOM 423 CD LYS A 27 -2.965 3.504 -2.952 1.00 9.02 C ATOM 424 CE LYS A 27 -2.589 4.144 -1.632 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.400 5.257 -1.295 1.00 15.47 N ATOM 0 H LYS A 27 -0.409 1.229 -5.086 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.476 -0.502 -4.233 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.794 2.318 -5.412 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.005 1.455 -4.485 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.488 1.466 -2.466 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.247 2.289 -3.389 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.717 4.204 -3.750 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.047 3.373 -2.968 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.662 3.398 -0.841 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.547 4.462 -1.675 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -2.894 5.863 -0.618 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.615 5.803 -2.154 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.287 4.923 -0.866 1.00 15.47 H new ATOM 439 N ALA A 28 -2.405 -0.188 -7.518 1.00 6.61 N ATOM 440 CA ALA A 28 -2.915 -0.896 -8.676 1.00 7.74 C ATOM 441 C ALA A 28 -2.651 -2.359 -8.489 1.00 9.17 C ATOM 442 O ALA A 28 -3.582 -3.191 -8.636 1.00 11.45 O ATOM 443 CB ALA A 28 -2.314 -0.380 -9.933 1.00 7.68 C ATOM 0 H ALA A 28 -1.657 0.473 -7.727 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.989 -0.734 -8.765 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.717 -0.932 -10.782 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.551 0.678 -10.042 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.232 -0.508 -9.898 1.00 7.68 H new ATOM 449 N LYS A 29 -1.557 -2.718 -7.886 1.00 8.96 N ATOM 450 CA LYS A 29 -1.278 -4.142 -7.708 1.00 7.90 C ATOM 451 C LYS A 29 -2.161 -4.774 -6.643 1.00 6.92 C ATOM 452 O LYS A 29 -2.617 -5.910 -6.792 1.00 6.87 O ATOM 453 CB LYS A 29 0.203 -4.233 -7.358 1.00 10.28 C ATOM 454 CG LYS A 29 0.828 -5.613 -7.343 1.00 14.94 C ATOM 455 CD LYS A 29 2.385 -5.385 -7.370 1.00 19.69 C ATOM 456 CE LYS A 29 2.868 -5.346 -8.869 1.00 22.63 C ATOM 457 NZ LYS A 29 4.280 -4.867 -8.796 1.00 24.98 N ATOM 0 H LYS A 29 -0.853 -2.081 -7.514 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.503 -4.702 -8.616 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.756 -3.619 -8.069 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.345 -3.787 -6.374 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.530 -6.166 -6.452 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.504 -6.197 -8.204 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.638 -4.451 -6.868 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.893 -6.185 -6.831 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.807 -6.331 -9.331 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.252 -4.675 -9.467 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.705 -4.893 -9.745 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.298 -3.892 -8.435 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.823 -5.482 -8.157 1.00 24.98 H new ATOM 471 N ILE A 30 -2.456 -4.022 -5.514 1.00 4.57 N ATOM 472 CA ILE A 30 -3.402 -4.452 -4.486 1.00 5.58 C ATOM 473 C ILE A 30 -4.840 -4.619 -4.925 1.00 7.26 C ATOM 474 O ILE A 30 -5.618 -5.408 -4.415 1.00 9.46 O ATOM 475 CB ILE A 30 -3.306 -3.447 -3.317 1.00 5.36 C ATOM 476 CG1 ILE A 30 -1.901 -3.782 -2.612 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.427 -3.637 -2.204 1.00 2.78 C ATOM 478 CD1 ILE A 30 -1.572 -2.734 -1.532 1.00 2.00 C ATOM 0 H ILE A 30 -2.031 -3.114 -5.324 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.110 -5.462 -4.199 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.417 -2.437 -3.711 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -1.941 -4.774 -2.163 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.108 -3.802 -3.360 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.290 -2.893 -1.419 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.412 -3.512 -2.654 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.348 -4.636 -1.775 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -0.617 -2.979 -1.067 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -1.510 -1.747 -1.990 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.356 -2.734 -0.774 1.00 2.00 H new ATOM 490 N GLN A 31 -5.270 -3.790 -5.943 1.00 7.06 N ATOM 491 CA GLN A 31 -6.540 -3.841 -6.545 1.00 8.67 C ATOM 492 C GLN A 31 -6.743 -5.135 -7.148 1.00 10.90 C ATOM 493 O GLN A 31 -7.794 -5.728 -6.826 1.00 9.63 O ATOM 494 CB GLN A 31 -6.734 -2.641 -7.537 1.00 9.12 C ATOM 495 CG GLN A 31 -8.142 -2.748 -8.207 1.00 10.76 C ATOM 496 CD GLN A 31 -8.349 -1.775 -9.382 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.441 -1.310 -10.057 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.652 -1.383 -9.609 1.00 14.76 N ATOM 0 H GLN A 31 -4.675 -3.062 -6.338 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.316 -3.724 -5.789 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.643 -1.695 -7.004 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.954 -2.654 -8.298 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.288 -3.768 -8.563 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.907 -2.561 -7.454 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.407 -1.772 -9.045 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.860 -0.704 -10.341 1.00 14.76 H new ATOM 507 N ASP A 32 -5.830 -5.618 -7.998 1.00 10.93 N ATOM 508 CA ASP A 32 -5.859 -6.850 -8.759 1.00 14.01 C ATOM 509 C ASP A 32 -6.005 -8.025 -7.844 1.00 14.04 C ATOM 510 O ASP A 32 -6.855 -8.893 -8.061 1.00 13.39 O ATOM 511 CB ASP A 32 -4.645 -6.835 -9.688 1.00 18.01 C ATOM 512 CG ASP A 32 -4.854 -7.817 -10.818 1.00 24.33 C ATOM 513 OD1 ASP A 32 -5.856 -7.720 -11.620 1.00 26.29 O ATOM 514 OD2 ASP A 32 -4.017 -8.772 -10.967 1.00 25.17 O ATOM 0 H ASP A 32 -4.972 -5.097 -8.180 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.733 -6.942 -9.404 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -4.494 -5.832 -10.088 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.745 -7.094 -9.130 1.00 18.01 H new ATOM 519 N LYS A 33 -5.226 -8.053 -6.753 1.00 14.22 N ATOM 520 CA LYS A 33 -5.352 -9.005 -5.646 1.00 14.00 C ATOM 521 C LYS A 33 -6.666 -8.937 -4.841 1.00 12.37 C ATOM 522 O LYS A 33 -7.174 -9.998 -4.438 1.00 12.17 O ATOM 523 CB LYS A 33 -4.268 -8.654 -4.649 1.00 18.62 C ATOM 524 CG LYS A 33 -2.856 -8.976 -5.221 1.00 24.00 C ATOM 525 CD LYS A 33 -2.439 -10.407 -4.805 1.00 27.61 C ATOM 526 CE LYS A 33 -1.075 -10.833 -5.316 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.997 -10.833 -6.801 1.00 30.06 N ATOM 0 H LYS A 33 -4.465 -7.389 -6.615 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.299 -9.994 -6.100 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.329 -7.595 -4.398 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.425 -9.210 -3.725 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.865 -8.891 -6.308 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.129 -8.253 -4.851 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.443 -10.472 -3.717 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.187 -11.111 -5.169 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.315 -10.162 -4.916 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.847 -11.832 -4.944 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.063 -11.180 -7.100 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.736 -11.454 -7.187 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.137 -9.866 -7.156 1.00 30.06 H new ATOM 541 N GLU A 34 -7.202 -7.748 -4.446 1.00 10.11 N ATOM 542 CA GLU A 34 -8.211 -7.690 -3.394 1.00 10.07 C ATOM 543 C GLU A 34 -9.466 -6.842 -3.664 1.00 9.32 C ATOM 544 O GLU A 34 -10.279 -6.740 -2.773 1.00 11.61 O ATOM 545 CB GLU A 34 -7.575 -7.038 -2.101 1.00 14.77 C ATOM 546 CG GLU A 34 -6.561 -7.950 -1.359 1.00 18.75 C ATOM 547 CD GLU A 34 -7.161 -9.326 -0.964 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.174 -9.381 -0.208 1.00 25.19 O ATOM 549 OE2 GLU A 34 -6.606 -10.326 -1.415 1.00 21.95 O ATOM 0 H GLU A 34 -6.947 -6.843 -4.842 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.524 -8.730 -3.305 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.074 -6.112 -2.384 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.376 -6.769 -1.412 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.690 -8.108 -1.995 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.212 -7.441 -0.461 1.00 18.75 H new ATOM 556 N GLY A 35 -9.689 -6.382 -4.907 1.00 7.22 N ATOM 557 CA GLY A 35 -11.013 -5.827 -5.192 1.00 6.29 C ATOM 558 C GLY A 35 -11.205 -4.489 -4.540 1.00 6.93 C ATOM 559 O GLY A 35 -12.307 -4.228 -4.098 1.00 7.41 O ATOM 0 H GLY A 35 -9.021 -6.382 -5.678 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -11.142 -5.729 -6.270 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.780 -6.517 -4.841 1.00 6.29 H new ATOM 563 N ILE A 36 -10.224 -3.589 -4.530 1.00 5.86 N ATOM 564 CA ILE A 36 -10.358 -2.246 -3.974 1.00 6.07 C ATOM 565 C ILE A 36 -9.763 -1.244 -4.948 1.00 6.36 C ATOM 566 O ILE A 36 -8.539 -1.281 -5.142 1.00 6.18 O ATOM 567 CB ILE A 36 -9.552 -1.994 -2.685 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.358 -3.254 -1.873 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.177 -0.853 -1.878 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.693 -2.959 -0.533 1.00 9.49 C ATOM 0 H ILE A 36 -9.298 -3.777 -4.915 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.425 -2.143 -3.777 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.548 -1.679 -2.970 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.323 -3.731 -1.704 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -8.747 -3.960 -2.436 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.596 -0.688 -0.971 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.180 0.057 -2.477 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.201 -1.115 -1.610 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.569 -3.888 0.024 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.717 -2.505 -0.703 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.317 -2.273 0.040 1.00 9.49 H new ATOM 582 N PRO A 37 -10.543 -0.406 -5.634 1.00 8.65 N ATOM 583 CA PRO A 37 -9.927 0.672 -6.486 1.00 9.18 C ATOM 584 C PRO A 37 -8.773 1.473 -5.784 1.00 9.85 C ATOM 585 O PRO A 37 -8.869 1.657 -4.562 1.00 8.51 O ATOM 586 CB PRO A 37 -11.113 1.504 -6.946 1.00 11.42 C ATOM 587 CG PRO A 37 -12.291 0.614 -6.836 1.00 9.27 C ATOM 588 CD PRO A 37 -11.978 -0.250 -5.638 1.00 8.33 C ATOM 0 HA PRO A 37 -9.382 0.263 -7.337 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.233 2.392 -6.325 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -10.976 1.848 -7.971 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.210 1.182 -6.690 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.426 0.015 -7.737 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.324 0.218 -4.716 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.477 -1.216 -5.711 1.00 8.33 H new ATOM 596 N PRO A 38 -7.683 1.982 -6.428 1.00 8.71 N ATOM 597 CA PRO A 38 -6.705 2.837 -5.789 1.00 9.08 C ATOM 598 C PRO A 38 -7.286 4.139 -5.197 1.00 9.28 C ATOM 599 O PRO A 38 -6.724 4.680 -4.203 1.00 6.50 O ATOM 600 CB PRO A 38 -5.643 3.006 -6.878 1.00 10.31 C ATOM 601 CG PRO A 38 -5.708 1.701 -7.693 1.00 10.81 C ATOM 602 CD PRO A 38 -7.170 1.363 -7.630 1.00 12.00 C ATOM 0 HA PRO A 38 -6.282 2.408 -4.880 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.852 3.874 -7.503 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.653 3.154 -6.446 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.366 1.843 -8.718 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.089 0.917 -7.257 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.693 1.735 -8.511 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.318 0.283 -7.604 1.00 12.00 H new ATOM 610 N ASP A 39 -8.457 4.602 -5.720 1.00 11.20 N ATOM 611 CA ASP A 39 -9.070 5.829 -5.144 1.00 14.96 C ATOM 612 C ASP A 39 -9.898 5.457 -3.991 1.00 13.99 C ATOM 613 O ASP A 39 -10.597 6.305 -3.457 1.00 13.75 O ATOM 614 CB ASP A 39 -9.887 6.568 -6.241 1.00 24.16 C ATOM 615 CG ASP A 39 -8.891 7.035 -7.262 1.00 31.06 C ATOM 616 OD1 ASP A 39 -7.806 7.636 -6.979 1.00 35.55 O ATOM 617 OD2 ASP A 39 -9.158 6.777 -8.457 1.00 34.22 O ATOM 0 H ASP A 39 -8.968 4.174 -6.492 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.299 6.515 -4.794 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.624 5.903 -6.692 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.434 7.410 -5.818 1.00 24.16 H new ATOM 622 N GLN A 40 -9.926 4.220 -3.537 1.00 11.60 N ATOM 623 CA GLN A 40 -10.542 3.838 -2.217 1.00 10.76 C ATOM 624 C GLN A 40 -9.543 3.135 -1.275 1.00 8.01 C ATOM 625 O GLN A 40 -9.849 2.736 -0.185 1.00 8.96 O ATOM 626 CB GLN A 40 -11.779 2.967 -2.485 1.00 11.14 C ATOM 627 CG GLN A 40 -12.845 3.681 -3.254 1.00 14.85 C ATOM 628 CD GLN A 40 -13.852 2.667 -3.852 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.197 2.841 -5.023 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.235 1.628 -3.119 1.00 18.16 N ATOM 0 H GLN A 40 -9.532 3.430 -4.048 1.00 11.60 H new ATOM 0 HA GLN A 40 -10.840 4.748 -1.696 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.476 2.077 -3.036 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.190 2.629 -1.534 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.368 4.379 -2.600 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.394 4.269 -4.053 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -13.916 1.539 -2.154 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.848 0.919 -3.521 1.00 18.16 H new ATOM 639 N GLN A 41 -8.204 3.047 -1.602 1.00 6.52 N ATOM 640 CA GLN A 41 -7.180 2.497 -0.744 1.00 3.87 C ATOM 641 C GLN A 41 -6.471 3.590 0.050 1.00 4.79 C ATOM 642 O GLN A 41 -5.912 4.535 -0.537 1.00 6.34 O ATOM 643 CB GLN A 41 -6.121 1.615 -1.482 1.00 4.20 C ATOM 644 CG GLN A 41 -6.643 0.240 -1.975 1.00 3.20 C ATOM 645 CD GLN A 41 -5.670 -0.354 -2.960 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.553 -0.555 -2.534 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.064 -0.717 -4.170 1.00 7.13 N ATOM 0 H GLN A 41 -7.839 3.374 -2.497 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.718 1.835 -0.066 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.741 2.171 -2.339 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.278 1.448 -0.811 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -6.774 -0.434 -1.128 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.621 0.359 -2.442 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.017 -0.522 -4.476 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.414 -1.192 -4.797 1.00 7.13 H new ATOM 656 N ARG A 42 -6.286 3.422 1.393 1.00 5.73 N ATOM 657 CA ARG A 42 -5.381 4.199 2.257 1.00 6.97 C ATOM 658 C ARG A 42 -4.373 3.221 2.798 1.00 7.15 C ATOM 659 O ARG A 42 -4.692 2.134 3.320 1.00 7.33 O ATOM 660 CB ARG A 42 -6.140 4.779 3.506 1.00 13.23 C ATOM 661 CG ARG A 42 -7.188 5.872 3.147 1.00 21.27 C ATOM 662 CD ARG A 42 -7.635 6.624 4.396 1.00 26.14 C ATOM 663 NE ARG A 42 -8.378 7.818 3.841 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.663 8.065 4.233 1.00 34.32 C ATOM 665 NH1 ARG A 42 -10.341 7.271 5.039 1.00 35.30 N ATOM 666 NH2 ARG A 42 -10.337 9.127 3.744 1.00 36.39 N ATOM 0 H ARG A 42 -6.792 2.706 1.914 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.948 5.018 1.683 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.642 3.963 4.026 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.412 5.200 4.200 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.759 6.572 2.430 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -8.051 5.411 2.666 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.277 6.009 5.027 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.785 6.928 5.007 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.920 8.439 3.174 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.907 6.422 5.403 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -11.299 7.506 5.299 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -9.887 9.753 3.076 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -11.296 9.304 4.042 1.00 36.39 H new ATOM 680 N LEU A 43 -3.091 3.585 2.673 1.00 4.65 N ATOM 681 CA LEU A 43 -1.995 2.751 3.202 1.00 3.51 C ATOM 682 C LEU A 43 -1.292 3.533 4.259 1.00 5.56 C ATOM 683 O LEU A 43 -0.759 4.610 4.053 1.00 4.19 O ATOM 684 CB LEU A 43 -0.988 2.306 2.128 1.00 3.74 C ATOM 685 CG LEU A 43 -1.555 1.193 1.186 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.679 1.075 -0.080 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.787 -0.116 2.013 1.00 6.41 C ATOM 0 H LEU A 43 -2.784 4.443 2.215 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.433 1.836 3.600 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.698 3.169 1.529 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.085 1.938 2.614 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.540 1.446 0.795 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.081 0.298 -0.730 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.677 2.027 -0.611 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.341 0.817 0.206 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.182 -0.894 1.360 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.841 -0.448 2.442 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.499 0.081 2.814 1.00 6.41 H new ATOM 699 N ILE A 44 -1.154 3.025 5.474 1.00 4.58 N ATOM 700 CA ILE A 44 -0.376 3.638 6.560 1.00 5.55 C ATOM 701 C ILE A 44 0.761 2.640 6.939 1.00 5.46 C ATOM 702 O ILE A 44 0.586 1.447 6.983 1.00 6.04 O ATOM 703 CB ILE A 44 -1.224 3.972 7.795 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.017 5.238 7.561 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.347 4.194 9.084 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.384 4.956 6.871 1.00 13.90 C ATOM 0 H ILE A 44 -1.592 2.146 5.749 1.00 4.58 H new ATOM 0 HA ILE A 44 0.024 4.590 6.210 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.881 3.117 7.953 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.189 5.738 8.514 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -1.434 5.921 6.943 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.995 4.427 9.929 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.219 3.288 9.300 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.343 5.021 8.917 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.918 5.895 6.724 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.213 4.480 5.905 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -3.980 4.295 7.500 1.00 13.90 H new ATOM 718 N PHE A 45 1.947 3.227 7.262 1.00 6.75 N ATOM 719 CA PHE A 45 3.161 2.460 7.649 1.00 4.70 C ATOM 720 C PHE A 45 3.884 3.493 8.451 1.00 6.34 C ATOM 721 O PHE A 45 3.873 4.630 8.050 1.00 5.45 O ATOM 722 CB PHE A 45 3.924 1.834 6.419 1.00 5.51 C ATOM 723 CG PHE A 45 5.271 1.348 6.754 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.503 0.060 7.317 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.407 2.171 6.598 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.738 -0.302 7.803 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.648 1.772 7.014 1.00 6.64 C ATOM 728 CZ PHE A 45 7.850 0.527 7.671 1.00 6.84 C ATOM 0 H PHE A 45 2.086 4.237 7.261 1.00 6.75 H new ATOM 0 HA PHE A 45 2.990 1.546 8.217 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.337 1.008 6.019 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.001 2.582 5.630 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.690 -0.649 7.363 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.294 3.142 6.138 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.849 -1.254 8.300 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.495 2.419 6.839 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.819 0.238 8.050 1.00 6.84 H new ATOM 738 N ALA A 46 4.550 3.155 9.567 1.00 6.53 N ATOM 739 CA ALA A 46 5.349 4.025 10.371 1.00 7.15 C ATOM 740 C ALA A 46 4.664 5.306 10.837 1.00 9.00 C ATOM 741 O ALA A 46 5.227 6.404 10.924 1.00 11.15 O ATOM 742 CB ALA A 46 6.716 4.379 9.720 1.00 8.99 C ATOM 0 H ALA A 46 4.528 2.204 9.934 1.00 6.53 H new ATOM 0 HA ALA A 46 5.519 3.421 11.262 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.273 5.042 10.382 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.288 3.466 9.556 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.546 4.877 8.766 1.00 8.99 H new ATOM 748 N GLY A 47 3.333 5.155 11.045 1.00 9.35 N ATOM 749 CA GLY A 47 2.438 6.307 11.373 1.00 11.68 C ATOM 750 C GLY A 47 2.088 7.239 10.303 1.00 11.14 C ATOM 751 O GLY A 47 1.387 8.204 10.518 1.00 13.93 O ATOM 0 H GLY A 47 2.853 4.257 10.993 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.510 5.903 11.778 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.912 6.879 12.171 1.00 11.68 H new ATOM 755 N LYS A 48 2.662 6.988 9.095 1.00 10.47 N ATOM 756 CA LYS A 48 2.484 7.891 7.974 1.00 8.82 C ATOM 757 C LYS A 48 1.421 7.350 7.024 1.00 7.68 C ATOM 758 O LYS A 48 1.460 6.222 6.552 1.00 6.47 O ATOM 759 CB LYS A 48 3.794 7.964 7.186 1.00 9.74 C ATOM 760 CG LYS A 48 4.970 8.573 8.075 1.00 14.14 C ATOM 761 CD LYS A 48 6.325 8.584 7.352 1.00 16.32 C ATOM 762 CE LYS A 48 7.480 9.414 8.031 1.00 20.04 C ATOM 763 NZ LYS A 48 8.580 9.440 7.084 1.00 23.92 N ATOM 0 H LYS A 48 3.241 6.173 8.895 1.00 10.47 H new ATOM 0 HA LYS A 48 2.188 8.868 8.357 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.072 6.967 6.845 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.652 8.578 6.296 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.710 9.592 8.363 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.060 7.995 8.995 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.663 7.553 7.246 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.171 8.974 6.346 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.146 10.425 8.265 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.787 8.954 8.970 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 9.373 9.979 7.487 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.889 8.467 6.884 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.267 9.892 6.201 1.00 23.92 H new ATOM 777 N GLN A 49 0.375 8.192 6.688 1.00 8.89 N ATOM 778 CA GLN A 49 -0.401 7.925 5.492 1.00 7.18 C ATOM 779 C GLN A 49 0.469 8.128 4.216 1.00 8.23 C ATOM 780 O GLN A 49 0.962 9.209 3.895 1.00 9.70 O ATOM 781 CB GLN A 49 -1.719 8.662 5.467 1.00 11.67 C ATOM 782 CG GLN A 49 -2.644 8.211 4.311 1.00 15.82 C ATOM 783 CD GLN A 49 -4.009 8.953 4.315 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.393 9.589 3.293 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.858 8.754 5.368 1.00 20.67 N ATOM 0 H GLN A 49 0.088 9.012 7.222 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.690 6.874 5.507 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.232 8.509 6.416 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.529 9.731 5.376 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.142 8.386 3.359 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.818 7.138 4.387 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -4.540 8.239 6.189 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.809 9.120 5.332 1.00 20.67 H new ATOM 794 N LEU A 50 0.751 7.017 3.518 1.00 6.51 N ATOM 795 CA LEU A 50 1.594 6.894 2.330 1.00 7.41 C ATOM 796 C LEU A 50 0.982 7.585 1.121 1.00 8.27 C ATOM 797 O LEU A 50 -0.069 7.155 0.610 1.00 8.34 O ATOM 798 CB LEU A 50 1.825 5.399 2.022 1.00 7.13 C ATOM 799 CG LEU A 50 2.527 4.661 3.164 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.798 3.194 2.647 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.859 5.238 3.687 1.00 9.11 C ATOM 0 H LEU A 50 0.363 6.115 3.795 1.00 6.51 H new ATOM 0 HA LEU A 50 2.544 7.386 2.538 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.866 4.921 1.822 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.422 5.307 1.115 1.00 7.13 H new ATOM 0 HG LEU A 50 1.856 4.746 4.019 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.300 2.620 3.426 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.851 2.716 2.397 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.430 3.232 1.760 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.236 4.609 4.494 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.587 5.264 2.877 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.696 6.249 4.061 1.00 9.11 H new ATOM 813 N GLU A 51 1.567 8.635 0.593 1.00 9.43 N ATOM 814 CA GLU A 51 0.961 9.498 -0.448 1.00 11.90 C ATOM 815 C GLU A 51 1.255 8.920 -1.852 1.00 11.49 C ATOM 816 O GLU A 51 2.363 8.624 -2.282 1.00 9.88 O ATOM 817 CB GLU A 51 1.677 10.814 -0.251 1.00 16.56 C ATOM 818 CG GLU A 51 1.063 11.952 -1.010 1.00 26.06 C ATOM 819 CD GLU A 51 1.953 13.212 -1.033 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.961 13.352 -0.275 1.00 33.44 O ATOM 821 OE2 GLU A 51 1.410 14.258 -1.600 1.00 32.13 O ATOM 0 H GLU A 51 2.501 8.938 0.868 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.123 9.584 -0.372 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.684 11.059 0.811 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.717 10.702 -0.559 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.866 11.634 -2.034 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.101 12.202 -0.563 1.00 26.06 H new ATOM 828 N ASP A 52 0.133 8.702 -2.575 1.00 12.71 N ATOM 829 CA ASP A 52 0.074 7.958 -3.839 1.00 16.56 C ATOM 830 C ASP A 52 1.226 8.291 -4.862 1.00 15.83 C ATOM 831 O ASP A 52 1.894 7.372 -5.338 1.00 17.21 O ATOM 832 CB ASP A 52 -1.324 8.121 -4.452 1.00 21.05 C ATOM 833 CG ASP A 52 -2.476 7.885 -3.475 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.765 8.852 -2.686 1.00 28.37 O ATOM 835 OD2 ASP A 52 -3.131 6.798 -3.397 1.00 25.82 O ATOM 0 H ASP A 52 -0.779 9.052 -2.281 1.00 12.71 H new ATOM 0 HA ASP A 52 0.252 6.909 -3.601 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.412 9.127 -4.862 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.424 7.427 -5.287 1.00 21.05 H new ATOM 840 N GLY A 53 1.421 9.587 -5.182 1.00 15.00 N ATOM 841 CA GLY A 53 2.362 10.060 -6.174 1.00 11.77 C ATOM 842 C GLY A 53 3.858 10.138 -5.756 1.00 11.10 C ATOM 843 O GLY A 53 4.571 11.007 -6.331 1.00 11.25 O ATOM 0 H GLY A 53 0.904 10.343 -4.734 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.289 9.410 -7.046 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.048 11.055 -6.490 1.00 11.77 H new ATOM 847 N ARG A 54 4.335 9.205 -4.900 1.00 8.53 N ATOM 848 CA ARG A 54 5.624 9.171 -4.313 1.00 9.05 C ATOM 849 C ARG A 54 6.029 7.683 -4.427 1.00 8.96 C ATOM 850 O ARG A 54 5.220 6.881 -4.842 1.00 11.60 O ATOM 851 CB ARG A 54 5.580 9.534 -2.796 1.00 7.97 C ATOM 852 CG ARG A 54 4.896 10.867 -2.411 1.00 9.62 C ATOM 853 CD ARG A 54 5.614 12.090 -2.978 1.00 12.20 C ATOM 854 NE ARG A 54 4.758 13.282 -2.574 1.00 18.23 N ATOM 855 CZ ARG A 54 4.660 14.385 -3.320 1.00 22.08 C ATOM 856 NH1 ARG A 54 5.366 14.696 -4.397 1.00 25.50 N ATOM 857 NH2 ARG A 54 3.795 15.280 -2.941 1.00 23.38 N ATOM 0 H ARG A 54 3.761 8.416 -4.603 1.00 8.53 H new ATOM 0 HA ARG A 54 6.300 9.876 -4.797 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.070 8.727 -2.270 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.604 9.559 -2.424 1.00 7.97 H new ATOM 0 HG2 ARG A 54 3.867 10.858 -2.769 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.855 10.948 -1.325 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.623 12.176 -2.575 1.00 12.20 H new ATOM 0 HD3 ARG A 54 5.709 12.023 -4.062 1.00 12.20 H new ATOM 0 HE ARG A 54 4.238 13.236 -1.698 1.00 18.23 H new ATOM 0 HH11 ARG A 54 6.081 14.055 -4.741 1.00 25.50 H new ATOM 0 HH12 ARG A 54 5.195 15.577 -4.882 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.229 15.122 -2.107 1.00 23.38 H new ATOM 0 HH22 ARG A 54 3.683 16.140 -3.478 1.00 23.38 H new ATOM 871 N THR A 55 7.263 7.408 -4.079 1.00 9.05 N ATOM 872 CA THR A 55 7.727 6.076 -4.291 1.00 9.03 C ATOM 873 C THR A 55 7.769 5.329 -2.947 1.00 8.15 C ATOM 874 O THR A 55 7.640 5.925 -1.900 1.00 5.91 O ATOM 875 CB THR A 55 9.120 6.015 -4.870 1.00 11.15 C ATOM 876 OG1 THR A 55 10.157 6.430 -3.997 1.00 11.95 O ATOM 877 CG2 THR A 55 9.235 6.941 -6.109 1.00 11.71 C ATOM 0 H THR A 55 7.930 8.060 -3.667 1.00 9.05 H new ATOM 0 HA THR A 55 7.034 5.623 -5.000 1.00 9.03 H new ATOM 0 HB THR A 55 9.253 4.957 -5.098 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.174 7.409 -3.952 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.246 6.884 -6.513 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.522 6.622 -6.869 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.018 7.968 -5.817 1.00 11.71 H new ATOM 885 N LEU A 56 8.048 4.009 -2.971 1.00 6.91 N ATOM 886 CA LEU A 56 8.437 3.211 -1.815 1.00 8.29 C ATOM 887 C LEU A 56 9.721 3.670 -1.106 1.00 8.05 C ATOM 888 O LEU A 56 9.794 3.733 0.084 1.00 10.17 O ATOM 889 CB LEU A 56 8.508 1.699 -2.191 1.00 6.60 C ATOM 890 CG LEU A 56 7.132 0.961 -2.516 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.425 -0.269 -3.347 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.505 0.495 -1.218 1.00 8.64 C ATOM 0 H LEU A 56 8.004 3.461 -3.830 1.00 6.91 H new ATOM 0 HA LEU A 56 7.648 3.369 -1.079 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.159 1.598 -3.060 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.989 1.169 -1.369 1.00 6.60 H new ATOM 0 HG LEU A 56 6.466 1.642 -3.046 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.492 -0.784 -3.577 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.914 0.027 -4.275 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.080 -0.938 -2.789 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.563 -0.011 -1.430 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.182 -0.195 -0.714 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.318 1.355 -0.575 1.00 8.64 H new ATOM 904 N SER A 57 10.762 3.986 -1.878 1.00 8.92 N ATOM 905 CA SER A 57 12.083 4.525 -1.471 1.00 9.00 C ATOM 906 C SER A 57 12.075 5.799 -0.697 1.00 9.44 C ATOM 907 O SER A 57 12.755 6.107 0.286 1.00 10.91 O ATOM 908 CB SER A 57 13.123 4.602 -2.636 1.00 10.32 C ATOM 909 OG SER A 57 14.409 4.881 -2.128 1.00 13.59 O ATOM 0 H SER A 57 10.710 3.866 -2.890 1.00 8.92 H new ATOM 0 HA SER A 57 12.409 3.761 -0.765 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.137 3.659 -3.182 1.00 10.32 H new ATOM 0 HB3 SER A 57 12.829 5.376 -3.344 1.00 10.32 H new ATOM 0 HG SER A 57 15.050 4.925 -2.868 1.00 13.59 H new ATOM 915 N ASP A 58 11.139 6.695 -1.114 1.00 9.11 N ATOM 916 CA ASP A 58 10.862 7.963 -0.476 1.00 7.91 C ATOM 917 C ASP A 58 10.429 7.784 1.018 1.00 9.12 C ATOM 918 O ASP A 58 10.706 8.669 1.853 1.00 8.61 O ATOM 919 CB ASP A 58 9.659 8.653 -1.130 1.00 8.41 C ATOM 920 CG ASP A 58 10.119 9.380 -2.364 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.008 10.263 -2.258 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.656 9.020 -3.511 1.00 11.70 O ATOM 0 H ASP A 58 10.551 6.527 -1.931 1.00 9.11 H new ATOM 0 HA ASP A 58 11.784 8.537 -0.568 1.00 7.91 H new ATOM 0 HB2 ASP A 58 8.898 7.917 -1.389 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.201 9.352 -0.431 1.00 8.41 H new ATOM 927 N TYR A 59 9.831 6.671 1.414 1.00 7.97 N ATOM 928 CA TYR A 59 9.245 6.387 2.758 1.00 8.45 C ATOM 929 C TYR A 59 10.187 5.403 3.431 1.00 10.98 C ATOM 930 O TYR A 59 10.000 4.892 4.548 1.00 12.95 O ATOM 931 CB TYR A 59 7.794 5.835 2.605 1.00 7.94 C ATOM 932 CG TYR A 59 6.818 6.868 2.360 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.250 7.546 3.438 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.434 7.273 1.088 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.252 8.550 3.244 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.459 8.257 0.870 1.00 6.52 C ATOM 937 CZ TYR A 59 4.925 8.945 1.967 1.00 6.76 C ATOM 938 OH TYR A 59 3.920 9.897 1.720 1.00 7.63 O ATOM 0 H TYR A 59 9.724 5.878 0.781 1.00 7.97 H new ATOM 0 HA TYR A 59 9.154 7.283 3.371 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.769 5.118 1.784 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.521 5.293 3.510 1.00 7.94 H new ATOM 0 HD1 TYR A 59 6.571 7.307 4.441 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.905 6.812 0.233 1.00 6.98 H new ATOM 0 HE1 TYR A 59 4.757 8.996 4.094 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.124 8.482 -0.132 1.00 6.52 H new ATOM 0 HH TYR A 59 4.265 10.588 1.116 1.00 7.63 H new ATOM 948 N ASN A 60 11.333 5.118 2.734 1.00 12.38 N ATOM 949 CA ASN A 60 12.220 4.056 3.244 1.00 13.94 C ATOM 950 C ASN A 60 11.532 2.670 3.480 1.00 14.16 C ATOM 951 O ASN A 60 11.786 1.953 4.447 1.00 14.26 O ATOM 952 CB ASN A 60 13.108 4.526 4.398 1.00 19.23 C ATOM 953 CG ASN A 60 14.220 3.573 4.644 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.828 3.130 3.643 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.630 3.306 5.925 1.00 24.09 N ATOM 0 H ASN A 60 11.638 5.581 1.877 1.00 12.38 H new ATOM 0 HA ASN A 60 12.900 3.847 2.418 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.514 5.511 4.169 1.00 19.23 H new ATOM 0 HB3 ASN A 60 12.508 4.630 5.302 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.456 2.729 6.086 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.109 3.684 6.716 1.00 24.09 H new ATOM 962 N ILE A 61 10.624 2.271 2.556 1.00 11.08 N ATOM 963 CA ILE A 61 9.915 0.970 2.659 1.00 11.78 C ATOM 964 C ILE A 61 10.820 -0.108 2.044 1.00 13.74 C ATOM 965 O ILE A 61 11.271 0.028 0.884 1.00 14.60 O ATOM 966 CB ILE A 61 8.497 0.893 2.007 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.726 1.969 2.748 1.00 11.56 C ATOM 968 CG2 ILE A 61 7.914 -0.474 2.214 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.222 2.095 2.372 1.00 11.42 C ATOM 0 H ILE A 61 10.367 2.824 1.739 1.00 11.08 H new ATOM 0 HA ILE A 61 9.724 0.820 3.722 1.00 11.78 H new ATOM 0 HB ILE A 61 8.486 1.051 0.929 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.800 1.773 3.818 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.210 2.929 2.566 1.00 11.56 H new ATOM 0 HG21 ILE A 61 6.925 -0.521 1.757 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.562 -1.220 1.754 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.830 -0.676 3.282 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.766 2.892 2.959 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.130 2.327 1.311 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.714 1.154 2.582 1.00 11.42 H new ATOM 981 N GLN A 62 11.284 -1.069 2.835 1.00 13.97 N ATOM 982 CA GLN A 62 12.229 -2.091 2.574 1.00 15.52 C ATOM 983 C GLN A 62 11.549 -3.478 2.463 1.00 13.94 C ATOM 984 O GLN A 62 10.319 -3.603 2.693 1.00 12.15 O ATOM 985 CB GLN A 62 13.327 -2.010 3.640 1.00 19.53 C ATOM 986 CG GLN A 62 14.285 -0.780 3.529 1.00 26.38 C ATOM 987 CD GLN A 62 15.579 -0.756 4.282 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.684 -0.933 3.717 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.425 -0.586 5.600 1.00 32.71 N ATOM 0 H GLN A 62 10.946 -1.136 3.795 1.00 13.97 H new ATOM 0 HA GLN A 62 12.698 -1.945 1.601 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.855 -1.993 4.622 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.925 -2.920 3.590 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.524 -0.653 2.473 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.718 0.099 3.836 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.493 -0.447 5.991 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.239 -0.596 6.214 1.00 32.71 H new ATOM 998 N LYS A 63 12.317 -4.515 2.146 1.00 11.73 N ATOM 999 CA LYS A 63 12.020 -5.895 2.152 1.00 11.97 C ATOM 1000 C LYS A 63 11.270 -6.399 3.389 1.00 10.41 C ATOM 1001 O LYS A 63 11.643 -6.085 4.521 1.00 9.59 O ATOM 1002 CB LYS A 63 13.236 -6.810 1.859 1.00 13.73 C ATOM 1003 CG LYS A 63 14.385 -6.779 2.916 1.00 16.98 C ATOM 1004 CD LYS A 63 15.432 -7.899 2.719 1.00 20.19 C ATOM 1005 CE LYS A 63 16.378 -8.016 3.864 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.599 -8.783 3.585 1.00 25.97 N ATOM 0 H LYS A 63 13.279 -4.358 1.844 1.00 11.73 H new ATOM 0 HA LYS A 63 11.329 -5.975 1.313 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.880 -7.836 1.768 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.652 -6.530 0.891 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.886 -5.812 2.869 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.954 -6.867 3.913 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.918 -8.850 2.581 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.996 -7.706 1.806 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.662 -7.014 4.185 1.00 23.42 H new ATOM 0 HE3 LYS A 63 15.857 -8.483 4.700 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.194 -8.810 4.437 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.344 -9.753 3.309 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 18.124 -8.330 2.810 1.00 25.97 H new ATOM 1020 N GLU A 64 10.179 -7.141 3.196 1.00 10.04 N ATOM 1021 CA GLU A 64 9.371 -7.908 4.135 1.00 10.94 C ATOM 1022 C GLU A 64 8.720 -7.007 5.073 1.00 9.74 C ATOM 1023 O GLU A 64 8.584 -7.269 6.280 1.00 9.42 O ATOM 1024 CB GLU A 64 10.286 -8.945 4.837 1.00 18.31 C ATOM 1025 CG GLU A 64 11.022 -9.940 3.866 1.00 24.16 C ATOM 1026 CD GLU A 64 11.928 -10.845 4.699 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.402 -11.630 5.573 1.00 32.61 O ATOM 1028 OE2 GLU A 64 13.141 -10.917 4.429 1.00 31.72 O ATOM 0 H GLU A 64 9.796 -7.226 2.255 1.00 10.04 H new ATOM 0 HA GLU A 64 8.578 -8.451 3.620 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.034 -8.411 5.423 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.685 -9.523 5.539 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.296 -10.536 3.312 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.609 -9.389 3.131 1.00 24.16 H new ATOM 1035 N SER A 65 8.292 -5.823 4.558 1.00 6.85 N ATOM 1036 CA SER A 65 7.546 -4.830 5.380 1.00 6.90 C ATOM 1037 C SER A 65 6.109 -5.133 5.367 1.00 4.72 C ATOM 1038 O SER A 65 5.595 -5.347 4.265 1.00 3.91 O ATOM 1039 CB SER A 65 7.710 -3.355 4.834 1.00 7.28 C ATOM 1040 OG SER A 65 9.067 -2.910 4.846 1.00 10.56 O ATOM 0 H SER A 65 8.448 -5.535 3.592 1.00 6.85 H new ATOM 0 HA SER A 65 7.961 -4.896 6.386 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.324 -3.304 3.816 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.105 -2.679 5.438 1.00 7.28 H new ATOM 0 HG SER A 65 9.390 -2.821 3.925 1.00 10.56 H new ATOM 1046 N THR A 66 5.391 -5.237 6.491 1.00 4.48 N ATOM 1047 CA THR A 66 3.957 -5.392 6.520 1.00 3.80 C ATOM 1048 C THR A 66 3.453 -3.988 6.479 1.00 4.60 C ATOM 1049 O THR A 66 3.752 -3.164 7.369 1.00 5.33 O ATOM 1050 CB THR A 66 3.362 -6.113 7.741 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.031 -7.369 8.011 1.00 2.15 O ATOM 1052 CG2 THR A 66 1.878 -6.489 7.472 1.00 3.40 C ATOM 0 H THR A 66 5.813 -5.214 7.419 1.00 4.48 H new ATOM 0 HA THR A 66 3.658 -6.035 5.692 1.00 3.80 H new ATOM 0 HB THR A 66 3.476 -5.426 8.579 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.624 -7.794 8.795 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.468 -6.999 8.344 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.303 -5.584 7.277 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.821 -7.148 6.606 1.00 3.40 H new ATOM 1060 N LEU A 67 2.703 -3.646 5.403 1.00 4.17 N ATOM 1061 CA LEU A 67 1.976 -2.452 5.232 1.00 3.85 C ATOM 1062 C LEU A 67 0.570 -2.686 5.789 1.00 3.80 C ATOM 1063 O LEU A 67 -0.090 -3.722 5.613 1.00 5.54 O ATOM 1064 CB LEU A 67 1.885 -2.045 3.687 1.00 7.18 C ATOM 1065 CG LEU A 67 3.223 -1.935 3.011 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.036 -1.344 1.595 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.138 -1.036 3.821 1.00 11.66 C ATOM 0 H LEU A 67 2.611 -4.268 4.600 1.00 4.17 H new ATOM 0 HA LEU A 67 2.477 -1.638 5.756 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.282 -2.785 3.161 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.365 -1.091 3.602 1.00 7.18 H new ATOM 0 HG LEU A 67 3.671 -2.926 2.937 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.005 -1.264 1.103 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.386 -1.996 1.011 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.584 -0.355 1.670 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.106 -0.961 3.325 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.694 -0.044 3.903 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.272 -1.457 4.818 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.035 -1.702 6.442 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.331 -1.844 7.098 1.00 4.17 C ATOM 1081 C HIS A 68 -2.274 -1.152 6.100 1.00 5.32 C ATOM 1082 O HIS A 68 -2.005 -0.036 5.623 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.410 -1.077 8.441 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.175 -0.971 9.268 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.605 -2.031 9.739 1.00 13.74 N ATOM 1086 CD2 HIS A 68 0.485 0.157 9.650 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.648 -1.488 10.445 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.591 -0.141 10.442 1.00 16.30 N ATOM 0 H HIS A 68 0.366 -0.768 6.533 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.554 -2.886 7.329 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.754 -0.065 8.226 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.178 -1.552 9.051 1.00 5.57 H new ATOM 0 HD2 HIS A 68 0.188 1.158 9.373 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.416 -2.065 10.939 1.00 14.75 H new ATOM 0 HE2 HIS A 68 2.217 0.512 10.913 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.460 -1.768 5.786 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.357 -1.379 4.745 1.00 3.97 C ATOM 1098 C LEU A 69 -5.630 -0.885 5.330 1.00 5.07 C ATOM 1099 O LEU A 69 -6.196 -1.612 6.175 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.634 -2.565 3.789 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.680 -2.280 2.663 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.259 -1.195 1.644 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.916 -3.517 1.907 1.00 9.96 C ATOM 0 H LEU A 69 -3.794 -2.583 6.301 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.894 -0.577 4.171 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.695 -2.863 3.323 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.981 -3.413 4.379 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.568 -1.913 3.178 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.047 -1.067 0.902 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.094 -0.252 2.164 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.339 -1.501 1.146 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.645 -3.328 1.119 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.980 -3.856 1.462 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.298 -4.286 2.578 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.104 0.277 4.907 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.295 0.967 5.435 1.00 6.26 C ATOM 1117 C VAL A 70 -8.143 1.374 4.230 1.00 9.22 C ATOM 1118 O VAL A 70 -7.732 1.251 3.100 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.921 2.149 6.351 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.081 3.006 6.945 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.182 1.563 7.573 1.00 8.54 C ATOM 0 H VAL A 70 -5.656 0.797 4.152 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.874 0.307 6.080 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.353 2.817 5.704 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.666 3.799 7.567 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.660 3.447 6.134 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.729 2.372 7.550 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.899 2.370 8.249 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.838 0.866 8.095 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.287 1.038 7.240 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.416 1.695 4.424 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.319 1.981 3.368 1.00 16.06 C ATOM 1133 C LEU A 71 -10.662 3.477 3.379 1.00 18.09 C ATOM 1134 O LEU A 71 -10.535 4.199 4.350 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.665 1.222 3.391 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.625 -0.296 3.148 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -13.084 -0.789 3.549 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -11.258 -0.726 1.729 1.00 19.57 C ATOM 0 H LEU A 71 -9.838 1.759 5.350 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.786 1.653 2.476 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.133 1.396 4.360 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.316 1.667 2.638 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.826 -0.746 3.738 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -13.155 -1.868 3.409 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -13.276 -0.546 4.594 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -13.822 -0.292 2.919 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -11.259 -1.814 1.667 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -11.987 -0.322 1.026 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -10.266 -0.349 1.480 1.00 19.57 H new