USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 62 GLN : amide:sc= 0.264 K(o=0.73,f=-1.2) USER MOD Set 1.2: A 65 SER OG : rot 109:sc= 0.468 USER MOD Set 2.1: A 22 THR OG1 : rot -74:sc= 1.18 USER MOD Set 2.2: A 25 ASN : amide:sc= 1.76 K(o=2.9,f=-7.5!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 153:sc= 1.24 (180deg=1.15) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.0193 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.00985 USER MOD Single : A 11 LYS NZ :NH3+ 161:sc= 1.21 (180deg=0.168!) USER MOD Single : A 12 THR OG1 : rot 13:sc= 0.0784 USER MOD Single : A 14 THR OG1 : rot -69:sc= 0.142 USER MOD Single : A 20 SER OG : rot 180:sc= 0.00544 USER MOD Single : A 27 LYS NZ :NH3+ -128:sc= 1.08 (180deg=-0.991) USER MOD Single : A 29 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.198) USER MOD Single : A 31 GLN : amide:sc= -0.168 K(o=-0.17,f=-1.3!) USER MOD Single : A 33 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.269) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 41 GLN : amide:sc= 0.673 K(o=0.67,f=-2.4!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.756 K(o=0.76,f=-5.1!) USER MOD Single : A 55 THR OG1 : rot -56:sc= 1.14 USER MOD Single : A 57 SER OG : rot 57:sc= 1.3 USER MOD Single : A 59 TYR OH : rot 70:sc= 0.519 USER MOD Single : A 60 ASN : 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 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.002) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.536 -7.258 -5.628 1.00 9.67 N ATOM 2 CA MET A 1 11.370 -7.494 -4.079 1.00 10.38 C ATOM 3 C MET A 1 9.972 -7.924 -3.629 1.00 9.62 C ATOM 4 O MET A 1 8.980 -7.742 -4.309 1.00 9.62 O ATOM 5 CB MET A 1 12.009 -6.303 -3.311 1.00 13.77 C ATOM 6 CG MET A 1 11.200 -4.981 -3.142 1.00 16.29 C ATOM 7 SD MET A 1 12.044 -3.822 -2.045 1.00 17.17 S ATOM 8 CE MET A 1 10.566 -2.715 -1.779 1.00 16.11 C ATOM 0 H1 MET A 1 12.297 -6.569 -5.795 1.00 9.67 H new ATOM 0 H2 MET A 1 11.775 -8.157 -6.093 1.00 9.67 H new ATOM 0 H3 MET A 1 10.646 -6.891 -6.021 1.00 9.67 H new ATOM 0 HA MET A 1 11.929 -8.388 -3.804 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.268 -6.658 -2.314 1.00 13.77 H new ATOM 0 HB3 MET A 1 12.943 -6.053 -3.813 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.051 -4.517 -4.117 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.211 -5.207 -2.742 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.840 -1.896 -1.114 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.237 -2.311 -2.736 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.756 -3.291 -1.331 1.00 16.11 H new ATOM 20 N GLN A 2 9.985 -8.586 -2.424 1.00 9.27 N ATOM 21 CA GLN A 2 8.791 -9.141 -1.811 1.00 9.07 C ATOM 22 C GLN A 2 8.554 -8.551 -0.463 1.00 8.72 C ATOM 23 O GLN A 2 9.443 -8.577 0.399 1.00 8.22 O ATOM 24 CB GLN A 2 9.082 -10.640 -1.491 1.00 14.46 C ATOM 25 CG GLN A 2 7.764 -11.323 -1.100 1.00 17.01 C ATOM 26 CD GLN A 2 7.833 -12.833 -0.691 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.985 -13.183 0.476 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.713 -13.740 -1.677 1.00 19.49 N ATOM 0 H GLN A 2 10.833 -8.733 -1.877 1.00 9.27 H new ATOM 0 HA GLN A 2 7.955 -8.961 -2.487 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.521 -11.133 -2.358 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.805 -10.720 -0.679 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.330 -10.768 -0.269 1.00 17.01 H new ATOM 0 HG3 GLN A 2 7.075 -11.232 -1.939 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.587 -13.432 -2.641 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.748 -14.736 -1.461 1.00 19.49 H new ATOM 37 N ILE A 3 7.309 -8.092 -0.272 1.00 5.87 N ATOM 38 CA ILE A 3 6.771 -7.391 0.906 1.00 5.07 C ATOM 39 C ILE A 3 5.414 -7.984 1.302 1.00 4.01 C ATOM 40 O ILE A 3 4.833 -8.831 0.638 1.00 4.61 O ATOM 41 CB ILE A 3 6.659 -5.836 0.729 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.686 -5.528 -0.391 1.00 4.72 C ATOM 43 CG2 ILE A 3 8.055 -5.238 0.528 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.277 -4.035 -0.280 1.00 10.83 C ATOM 0 H ILE A 3 6.596 -8.210 -0.992 1.00 5.87 H new ATOM 0 HA ILE A 3 7.494 -7.548 1.706 1.00 5.07 H new ATOM 0 HB ILE A 3 6.256 -5.366 1.626 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.146 -5.725 -1.359 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.808 -6.169 -0.319 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.974 -4.158 0.405 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.674 -5.459 1.397 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.512 -5.671 -0.362 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.576 -3.790 -1.077 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.804 -3.858 0.686 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.163 -3.407 -0.371 1.00 10.83 H new ATOM 56 N PHE A 4 4.717 -7.380 2.327 1.00 4.55 N ATOM 57 CA PHE A 4 3.480 -7.812 2.939 1.00 4.68 C ATOM 58 C PHE A 4 2.492 -6.653 3.203 1.00 5.30 C ATOM 59 O PHE A 4 2.883 -5.609 3.709 1.00 5.58 O ATOM 60 CB PHE A 4 3.652 -8.491 4.295 1.00 4.83 C ATOM 61 CG PHE A 4 4.581 -9.642 4.107 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.281 -10.824 3.406 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.921 -9.494 4.574 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.239 -11.832 3.209 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.892 -10.504 4.426 1.00 10.61 C ATOM 66 CZ PHE A 4 6.525 -11.604 3.651 1.00 8.90 C ATOM 0 H PHE A 4 5.060 -6.519 2.752 1.00 4.55 H new ATOM 0 HA PHE A 4 3.097 -8.515 2.199 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.054 -7.790 5.026 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.690 -8.833 4.677 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.286 -10.960 3.008 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.202 -8.571 5.060 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.976 -12.761 2.724 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.866 -10.431 4.887 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.291 -12.317 3.382 1.00 8.90 H new ATOM 76 N VAL A 5 1.176 -6.790 2.962 1.00 4.44 N ATOM 77 CA VAL A 5 0.141 -5.746 3.215 1.00 3.87 C ATOM 78 C VAL A 5 -0.934 -6.358 4.043 1.00 4.93 C ATOM 79 O VAL A 5 -1.440 -7.444 3.764 1.00 6.84 O ATOM 80 CB VAL A 5 -0.488 -5.190 1.910 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.489 -3.999 2.149 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.764 -4.768 1.075 1.00 9.13 C ATOM 0 H VAL A 5 0.783 -7.648 2.576 1.00 4.44 H new ATOM 0 HA VAL A 5 0.623 -4.909 3.720 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.115 -5.925 1.406 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.889 -3.662 1.193 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.307 -4.334 2.787 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.965 -3.175 2.633 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.442 -4.355 0.119 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.330 -4.015 1.623 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.395 -5.639 0.900 1.00 9.13 H new ATOM 92 N LYS A 6 -1.214 -5.686 5.117 1.00 6.04 N ATOM 93 CA LYS A 6 -2.221 -6.074 6.100 1.00 6.12 C ATOM 94 C LYS A 6 -3.483 -5.359 5.823 1.00 6.57 C ATOM 95 O LYS A 6 -3.472 -4.241 5.345 1.00 5.76 O ATOM 96 CB LYS A 6 -1.883 -5.765 7.516 1.00 7.45 C ATOM 97 CG LYS A 6 -0.407 -6.136 7.847 1.00 11.12 C ATOM 98 CD LYS A 6 -0.045 -6.237 9.352 1.00 14.54 C ATOM 99 CE LYS A 6 -0.550 -7.464 10.068 1.00 18.84 C ATOM 100 NZ LYS A 6 0.101 -7.603 11.388 1.00 20.55 N ATOM 0 H LYS A 6 -0.738 -4.816 5.357 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.291 -7.157 5.998 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -2.043 -4.704 7.706 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.554 -6.312 8.179 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.181 -7.092 7.376 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.244 -5.392 7.388 1.00 11.12 H new ATOM 0 HD2 LYS A 6 1.040 -6.204 9.448 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.437 -5.356 9.860 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -1.631 -7.398 10.195 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -0.353 -8.350 9.465 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -0.260 -8.454 11.865 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 1.130 -7.688 11.261 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.108 -6.766 11.968 1.00 20.55 H new ATOM 114 N THR A 7 -4.719 -5.920 6.025 1.00 7.41 N ATOM 115 CA THR A 7 -6.028 -5.232 5.835 1.00 7.48 C ATOM 116 C THR A 7 -6.946 -5.520 6.958 1.00 8.75 C ATOM 117 O THR A 7 -6.732 -6.344 7.816 1.00 8.58 O ATOM 118 CB THR A 7 -6.729 -5.582 4.500 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.951 -4.860 4.336 1.00 11.78 O ATOM 120 CG2 THR A 7 -7.036 -7.107 4.352 1.00 9.17 C ATOM 0 H THR A 7 -4.828 -6.887 6.332 1.00 7.41 H new ATOM 0 HA THR A 7 -5.792 -4.168 5.806 1.00 7.48 H new ATOM 0 HB THR A 7 -6.019 -5.292 3.726 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.364 -5.106 3.482 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.527 -7.288 3.396 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.104 -7.671 4.394 1.00 9.17 H new ATOM 0 HG23 THR A 7 -7.691 -7.427 5.163 1.00 9.17 H new ATOM 128 N LEU A 8 -8.104 -4.811 7.045 1.00 9.84 N ATOM 129 CA LEU A 8 -8.932 -4.722 8.230 1.00 14.15 C ATOM 130 C LEU A 8 -9.787 -6.002 8.471 1.00 17.37 C ATOM 131 O LEU A 8 -10.480 -6.069 9.489 1.00 17.01 O ATOM 132 CB LEU A 8 -9.921 -3.501 8.220 1.00 16.63 C ATOM 133 CG LEU A 8 -9.294 -2.006 8.126 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.349 -0.947 7.946 1.00 19.31 C ATOM 135 CD2 LEU A 8 -8.462 -1.749 9.392 1.00 18.59 C ATOM 0 H LEU A 8 -8.478 -4.279 6.259 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.205 -4.595 9.033 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.601 -3.630 7.378 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.523 -3.553 9.127 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.661 -1.948 7.241 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.875 0.033 7.889 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.902 -1.137 7.026 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.035 -0.969 8.793 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -8.032 -0.748 9.348 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.102 -1.830 10.271 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.661 -2.486 9.457 1.00 18.59 H new ATOM 147 N THR A 9 -9.742 -6.994 7.597 1.00 18.33 N ATOM 148 CA THR A 9 -10.490 -8.211 7.784 1.00 19.24 C ATOM 149 C THR A 9 -9.691 -9.354 8.397 1.00 19.48 C ATOM 150 O THR A 9 -10.173 -10.510 8.509 1.00 23.14 O ATOM 151 CB THR A 9 -10.987 -8.725 6.451 1.00 18.97 C ATOM 152 OG1 THR A 9 -9.856 -8.878 5.588 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.846 -7.581 5.856 1.00 19.70 C ATOM 0 H THR A 9 -9.185 -6.972 6.743 1.00 18.33 H new ATOM 0 HA THR A 9 -11.293 -7.935 8.468 1.00 19.24 H new ATOM 0 HB THR A 9 -11.532 -9.663 6.553 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.153 -9.213 4.716 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.239 -7.887 4.886 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.674 -7.360 6.529 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.230 -6.690 5.733 1.00 19.70 H new ATOM 161 N GLY A 10 -8.382 -9.085 8.799 1.00 19.43 N ATOM 162 CA GLY A 10 -7.376 -9.920 9.372 1.00 18.74 C ATOM 163 C GLY A 10 -6.659 -10.679 8.270 1.00 17.62 C ATOM 164 O GLY A 10 -5.720 -11.372 8.596 1.00 19.74 O ATOM 0 H GLY A 10 -8.020 -8.138 8.689 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.664 -9.316 9.934 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.827 -10.620 10.076 1.00 18.74 H new ATOM 168 N LYS A 11 -7.037 -10.538 7.002 1.00 13.56 N ATOM 169 CA LYS A 11 -6.290 -10.980 5.818 1.00 11.91 C ATOM 170 C LYS A 11 -4.946 -10.190 5.648 1.00 10.18 C ATOM 171 O LYS A 11 -4.753 -9.073 6.096 1.00 9.10 O ATOM 172 CB LYS A 11 -7.182 -10.888 4.548 1.00 13.43 C ATOM 173 CG LYS A 11 -6.511 -11.466 3.299 1.00 16.69 C ATOM 174 CD LYS A 11 -7.657 -11.655 2.198 1.00 17.92 C ATOM 175 CE LYS A 11 -7.137 -12.679 1.184 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.092 -12.654 0.073 1.00 21.93 N ATOM 0 H LYS A 11 -7.919 -10.089 6.755 1.00 13.56 H new ATOM 0 HA LYS A 11 -6.017 -12.025 5.962 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -8.117 -11.418 4.729 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.438 -9.844 4.366 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.732 -10.796 2.934 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.032 -12.419 3.524 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.581 -12.003 2.659 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.882 -10.707 1.709 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.134 -12.420 0.845 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.077 -13.673 1.627 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.651 -13.068 -0.773 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.936 -13.206 0.328 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.368 -11.671 -0.126 1.00 21.93 H new ATOM 190 N THR A 12 -3.870 -10.874 5.100 1.00 9.63 N ATOM 191 CA THR A 12 -2.591 -10.200 4.787 1.00 9.85 C ATOM 192 C THR A 12 -2.185 -10.838 3.449 1.00 11.66 C ATOM 193 O THR A 12 -2.325 -12.058 3.248 1.00 12.33 O ATOM 194 CB THR A 12 -1.466 -10.336 5.902 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.771 -9.556 7.042 1.00 10.91 O ATOM 196 CG2 THR A 12 -0.099 -9.901 5.391 1.00 9.63 C ATOM 0 H THR A 12 -3.884 -11.870 4.879 1.00 9.63 H new ATOM 0 HA THR A 12 -2.712 -9.118 4.739 1.00 9.85 H new ATOM 0 HB THR A 12 -1.437 -11.393 6.167 1.00 10.85 H new ATOM 0 HG1 THR A 12 -2.703 -9.257 6.994 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.638 -10.011 6.186 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.187 -10.523 4.542 1.00 9.63 H new ATOM 0 HG23 THR A 12 -0.143 -8.858 5.078 1.00 9.63 H new ATOM 204 N ILE A 13 -1.698 -10.056 2.484 1.00 10.42 N ATOM 205 CA ILE A 13 -1.365 -10.468 1.132 1.00 11.84 C ATOM 206 C ILE A 13 0.083 -10.242 1.025 1.00 10.55 C ATOM 207 O ILE A 13 0.632 -9.206 1.377 1.00 11.92 O ATOM 208 CB ILE A 13 -2.146 -9.788 0.016 1.00 14.86 C ATOM 209 CG1 ILE A 13 -1.968 -8.222 0.014 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.603 -10.284 0.234 1.00 17.08 C ATOM 211 CD1 ILE A 13 -2.741 -7.540 -1.077 1.00 16.46 C ATOM 0 H ILE A 13 -1.518 -9.064 2.640 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.651 -11.509 0.985 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.790 -10.048 -0.981 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.286 -7.826 0.978 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -0.910 -7.983 -0.095 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.253 -9.848 -0.525 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.633 -11.371 0.157 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.946 -9.981 1.223 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -2.575 -6.464 -1.023 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.406 -7.910 -2.046 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -3.804 -7.750 -0.956 1.00 16.46 H new ATOM 223 N THR A 14 0.806 -11.253 0.506 1.00 9.39 N ATOM 224 CA THR A 14 2.183 -11.121 0.078 1.00 9.63 C ATOM 225 C THR A 14 2.195 -10.382 -1.256 1.00 11.20 C ATOM 226 O THR A 14 1.315 -10.597 -2.134 1.00 11.63 O ATOM 227 CB THR A 14 2.893 -12.413 -0.099 1.00 10.38 C ATOM 228 OG1 THR A 14 2.714 -13.110 1.124 1.00 16.30 O ATOM 229 CG2 THR A 14 4.392 -12.191 -0.342 1.00 11.66 C ATOM 0 H THR A 14 0.430 -12.192 0.377 1.00 9.39 H new ATOM 0 HA THR A 14 2.708 -10.582 0.867 1.00 9.63 H new ATOM 0 HB THR A 14 2.504 -12.960 -0.958 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.226 -12.666 1.832 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.887 -13.154 -0.468 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.530 -11.592 -1.242 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.826 -11.669 0.511 1.00 11.66 H new ATOM 237 N LEU A 15 3.100 -9.444 -1.427 1.00 8.29 N ATOM 238 CA LEU A 15 3.045 -8.482 -2.578 1.00 9.03 C ATOM 239 C LEU A 15 4.386 -8.454 -3.134 1.00 8.59 C ATOM 240 O LEU A 15 5.373 -8.666 -2.459 1.00 7.79 O ATOM 241 CB LEU A 15 2.567 -7.129 -2.127 1.00 11.08 C ATOM 242 CG LEU A 15 1.812 -6.358 -3.210 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.637 -7.123 -3.827 1.00 15.88 C ATOM 244 CD2 LEU A 15 1.332 -4.997 -2.520 1.00 15.27 C ATOM 0 H LEU A 15 3.893 -9.302 -0.802 1.00 8.29 H new ATOM 0 HA LEU A 15 2.329 -8.792 -3.340 1.00 9.03 H new ATOM 0 HB2 LEU A 15 1.918 -7.252 -1.260 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.424 -6.539 -1.802 1.00 11.08 H new ATOM 0 HG LEU A 15 2.472 -6.182 -4.059 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.158 -6.504 -4.585 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.002 -8.042 -4.286 1.00 15.88 H new ATOM 0 HD13 LEU A 15 -0.086 -7.369 -3.049 1.00 15.88 H new ATOM 0 HD21 LEU A 15 0.783 -4.396 -3.244 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.685 -5.227 -1.674 1.00 15.27 H new ATOM 0 HD23 LEU A 15 2.201 -4.440 -2.171 1.00 15.27 H new ATOM 256 N GLU A 16 4.407 -8.252 -4.459 1.00 11.04 N ATOM 257 CA GLU A 16 5.665 -8.357 -5.158 1.00 11.50 C ATOM 258 C GLU A 16 5.814 -6.933 -5.860 1.00 10.13 C ATOM 259 O GLU A 16 4.798 -6.443 -6.401 1.00 9.83 O ATOM 260 CB GLU A 16 5.563 -9.441 -6.270 1.00 17.22 C ATOM 261 CG GLU A 16 6.623 -9.284 -7.391 1.00 23.33 C ATOM 262 CD GLU A 16 6.502 -10.459 -8.382 1.00 26.99 C ATOM 263 OE1 GLU A 16 6.981 -11.606 -8.119 1.00 28.86 O ATOM 264 OE2 GLU A 16 5.776 -10.289 -9.406 1.00 28.90 O ATOM 0 H GLU A 16 3.597 -8.025 -5.036 1.00 11.04 H new ATOM 0 HA GLU A 16 6.493 -8.621 -4.500 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.670 -10.426 -5.816 1.00 17.22 H new ATOM 0 HB3 GLU A 16 4.568 -9.401 -6.714 1.00 17.22 H new ATOM 0 HG2 GLU A 16 6.478 -8.338 -7.913 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.624 -9.260 -6.959 1.00 23.33 H new ATOM 271 N VAL A 17 6.979 -6.246 -5.725 1.00 8.99 N ATOM 272 CA VAL A 17 7.120 -4.844 -6.025 1.00 8.85 C ATOM 273 C VAL A 17 8.602 -4.716 -6.340 1.00 8.04 C ATOM 274 O VAL A 17 9.406 -5.617 -6.165 1.00 8.99 O ATOM 275 CB VAL A 17 6.721 -3.926 -4.885 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.244 -4.055 -4.346 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.740 -4.157 -3.676 1.00 10.54 C ATOM 0 H VAL A 17 7.843 -6.680 -5.399 1.00 8.99 H new ATOM 0 HA VAL A 17 6.459 -4.538 -6.836 1.00 8.85 H new ATOM 0 HB VAL A 17 6.764 -2.921 -5.304 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.090 -3.344 -3.534 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.542 -3.842 -5.153 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.078 -5.068 -3.978 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.471 -3.506 -2.844 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.692 -5.197 -3.353 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.753 -3.926 -4.005 1.00 10.54 H new ATOM 287 N GLU A 18 8.980 -3.568 -6.951 1.00 7.29 N ATOM 288 CA GLU A 18 10.376 -3.200 -7.110 1.00 7.08 C ATOM 289 C GLU A 18 10.604 -1.957 -6.270 1.00 6.45 C ATOM 290 O GLU A 18 9.597 -1.252 -6.042 1.00 5.28 O ATOM 291 CB GLU A 18 10.771 -2.950 -8.577 1.00 10.28 C ATOM 292 CG GLU A 18 10.912 -4.244 -9.406 1.00 12.65 C ATOM 293 CD GLU A 18 12.059 -5.079 -8.936 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.160 -4.559 -8.675 1.00 14.33 O ATOM 295 OE2 GLU A 18 11.901 -6.353 -8.830 1.00 18.17 O ATOM 0 H GLU A 18 8.323 -2.890 -7.337 1.00 7.29 H new ATOM 0 HA GLU A 18 11.005 -4.027 -6.781 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.022 -2.310 -9.043 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.716 -2.407 -8.603 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.990 -4.821 -9.339 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.053 -3.990 -10.456 1.00 12.65 H new ATOM 302 N PRO A 19 11.758 -1.561 -5.808 1.00 7.24 N ATOM 303 CA PRO A 19 11.894 -0.332 -4.977 1.00 7.07 C ATOM 304 C PRO A 19 11.820 0.966 -5.724 1.00 6.65 C ATOM 305 O PRO A 19 11.863 2.011 -5.070 1.00 6.37 O ATOM 306 CB PRO A 19 13.216 -0.616 -4.248 1.00 7.61 C ATOM 307 CG PRO A 19 14.104 -1.429 -5.250 1.00 8.16 C ATOM 308 CD PRO A 19 13.016 -2.309 -5.899 1.00 7.49 C ATOM 0 HA PRO A 19 11.056 -0.164 -4.300 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.707 0.313 -3.958 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.042 -1.184 -3.334 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.612 -0.790 -5.972 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.873 -2.016 -4.747 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.263 -2.526 -6.938 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.935 -3.266 -5.384 1.00 7.49 H new ATOM 316 N SER A 20 11.651 0.926 -7.065 1.00 6.80 N ATOM 317 CA SER A 20 11.335 2.066 -7.875 1.00 6.28 C ATOM 318 C SER A 20 9.877 2.374 -8.052 1.00 8.45 C ATOM 319 O SER A 20 9.562 3.461 -8.570 1.00 7.26 O ATOM 320 CB SER A 20 11.938 1.940 -9.281 1.00 8.57 C ATOM 321 OG SER A 20 11.728 0.664 -9.885 1.00 11.13 O ATOM 0 H SER A 20 11.739 0.064 -7.604 1.00 6.80 H new ATOM 0 HA SER A 20 11.772 2.885 -7.303 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.508 2.710 -9.921 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.009 2.134 -9.226 1.00 8.57 H new ATOM 0 HG SER A 20 12.135 0.653 -10.777 1.00 11.13 H new ATOM 327 N ASP A 21 8.967 1.428 -7.609 1.00 7.50 N ATOM 328 CA ASP A 21 7.554 1.629 -7.754 1.00 7.70 C ATOM 329 C ASP A 21 7.003 2.739 -6.920 1.00 7.08 C ATOM 330 O ASP A 21 7.580 3.091 -5.897 1.00 8.11 O ATOM 331 CB ASP A 21 6.747 0.339 -7.621 1.00 11.00 C ATOM 332 CG ASP A 21 7.171 -0.691 -8.679 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.456 -0.189 -9.828 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.198 -1.909 -8.377 1.00 18.03 O ATOM 0 H ASP A 21 9.227 0.549 -7.162 1.00 7.50 H new ATOM 0 HA ASP A 21 7.433 1.963 -8.785 1.00 7.70 H new ATOM 0 HB2 ASP A 21 6.887 -0.080 -6.625 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.685 0.558 -7.728 1.00 11.00 H new ATOM 339 N THR A 22 5.899 3.431 -7.274 1.00 5.37 N ATOM 340 CA THR A 22 5.234 4.475 -6.495 1.00 6.01 C ATOM 341 C THR A 22 4.196 3.749 -5.648 1.00 8.01 C ATOM 342 O THR A 22 3.690 2.694 -5.937 1.00 8.11 O ATOM 343 CB THR A 22 4.667 5.656 -7.308 1.00 8.92 C ATOM 344 OG1 THR A 22 3.578 5.276 -8.174 1.00 10.22 O ATOM 345 CG2 THR A 22 5.717 6.365 -8.111 1.00 9.65 C ATOM 0 H THR A 22 5.428 3.260 -8.163 1.00 5.37 H new ATOM 0 HA THR A 22 5.964 4.996 -5.876 1.00 6.01 H new ATOM 0 HB THR A 22 4.281 6.344 -6.556 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.929 4.779 -8.942 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.260 7.187 -8.663 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.483 6.758 -7.442 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.172 5.666 -8.813 1.00 9.65 H new ATOM 353 N ILE A 23 3.732 4.424 -4.582 1.00 8.32 N ATOM 354 CA ILE A 23 2.701 3.992 -3.722 1.00 9.92 C ATOM 355 C ILE A 23 1.350 3.948 -4.491 1.00 10.01 C ATOM 356 O ILE A 23 0.519 3.119 -4.216 1.00 8.71 O ATOM 357 CB ILE A 23 2.621 4.948 -2.497 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.848 4.713 -1.489 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.274 4.901 -1.786 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.794 3.427 -0.610 1.00 12.30 C ATOM 0 H ILE A 23 4.111 5.332 -4.313 1.00 8.32 H new ATOM 0 HA ILE A 23 2.914 2.985 -3.364 1.00 9.92 H new ATOM 0 HB ILE A 23 2.708 5.961 -2.890 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.768 4.688 -2.073 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.914 5.576 -0.826 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.284 5.590 -0.942 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.486 5.190 -2.481 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.088 3.889 -1.426 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.678 3.384 0.026 1.00 12.30 H new ATOM 0 HD12 ILE A 23 2.900 3.449 0.012 1.00 12.30 H new ATOM 0 HD13 ILE A 23 3.767 2.547 -1.253 1.00 12.30 H new ATOM 372 N GLU A 24 1.185 4.755 -5.542 1.00 9.54 N ATOM 373 CA GLU A 24 0.054 4.626 -6.427 1.00 11.81 C ATOM 374 C GLU A 24 0.058 3.287 -7.207 1.00 11.14 C ATOM 375 O GLU A 24 -0.933 2.572 -7.223 1.00 10.62 O ATOM 376 CB GLU A 24 0.047 5.843 -7.478 1.00 19.24 C ATOM 377 CG GLU A 24 -1.060 5.728 -8.546 1.00 27.76 C ATOM 378 CD GLU A 24 -1.114 6.996 -9.385 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.126 7.230 -10.177 1.00 36.51 O ATOM 380 OE2 GLU A 24 -2.171 7.652 -9.358 1.00 34.80 O ATOM 0 H GLU A 24 1.831 5.504 -5.791 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.841 4.646 -5.806 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.078 6.780 -6.936 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.016 5.889 -7.974 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.869 4.867 -9.187 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.024 5.560 -8.065 1.00 27.76 H new ATOM 387 N ASN A 25 1.209 2.877 -7.787 1.00 9.43 N ATOM 388 CA ASN A 25 1.416 1.569 -8.334 1.00 10.96 C ATOM 389 C ASN A 25 1.220 0.355 -7.459 1.00 9.68 C ATOM 390 O ASN A 25 0.718 -0.665 -7.911 1.00 9.33 O ATOM 391 CB ASN A 25 2.809 1.362 -9.020 1.00 16.78 C ATOM 392 CG ASN A 25 3.200 2.566 -9.901 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.242 3.183 -9.596 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.387 2.920 -10.938 1.00 24.70 N ATOM 0 H ASN A 25 2.025 3.483 -7.877 1.00 9.43 H new ATOM 0 HA ASN A 25 0.586 1.601 -9.040 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.571 1.209 -8.256 1.00 16.78 H new ATOM 0 HB3 ASN A 25 2.783 0.459 -9.630 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.618 3.730 -11.514 1.00 24.70 H new ATOM 0 HD22 ASN A 25 1.548 2.375 -11.137 1.00 24.70 H new ATOM 401 N VAL A 26 1.544 0.438 -6.135 1.00 6.52 N ATOM 402 CA VAL A 26 1.203 -0.555 -5.139 1.00 5.53 C ATOM 403 C VAL A 26 -0.281 -0.763 -5.026 1.00 4.42 C ATOM 404 O VAL A 26 -0.772 -1.913 -5.033 1.00 3.40 O ATOM 405 CB VAL A 26 1.761 -0.181 -3.785 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.084 -0.985 -2.627 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.262 -0.325 -3.786 1.00 8.12 C ATOM 0 H VAL A 26 2.062 1.227 -5.748 1.00 6.52 H new ATOM 0 HA VAL A 26 1.653 -1.490 -5.472 1.00 5.53 H new ATOM 0 HB VAL A 26 1.525 0.866 -3.594 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.517 -0.683 -1.673 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.013 -0.782 -2.620 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.250 -2.052 -2.779 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.654 -0.053 -2.806 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.528 -1.358 -4.010 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.690 0.332 -4.543 1.00 8.12 H new ATOM 417 N LYS A 27 -1.074 0.340 -4.932 1.00 2.64 N ATOM 418 CA LYS A 27 -2.517 0.247 -4.929 1.00 4.14 C ATOM 419 C LYS A 27 -3.112 -0.436 -6.185 1.00 5.58 C ATOM 420 O LYS A 27 -4.165 -1.080 -6.117 1.00 4.11 O ATOM 421 CB LYS A 27 -3.227 1.617 -4.716 1.00 3.97 C ATOM 422 CG LYS A 27 -2.863 2.309 -3.390 1.00 7.45 C ATOM 423 CD LYS A 27 -3.581 3.562 -3.025 1.00 9.02 C ATOM 424 CE LYS A 27 -3.045 4.766 -3.848 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.692 5.981 -3.274 1.00 15.47 N ATOM 0 H LYS A 27 -0.715 1.292 -4.858 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.718 -0.392 -4.069 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.971 2.280 -5.543 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.306 1.465 -4.751 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.020 1.590 -2.586 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.796 2.532 -3.414 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.649 3.440 -3.205 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.458 3.760 -1.960 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -1.959 4.833 -3.778 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.290 4.656 -4.904 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -4.137 6.530 -4.037 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.417 5.696 -2.585 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -2.974 6.565 -2.800 1.00 15.47 H new ATOM 439 N ALA A 28 -2.487 -0.273 -7.333 1.00 6.61 N ATOM 440 CA ALA A 28 -2.830 -1.050 -8.536 1.00 7.74 C ATOM 441 C ALA A 28 -2.570 -2.545 -8.419 1.00 9.17 C ATOM 442 O ALA A 28 -3.340 -3.367 -8.900 1.00 11.45 O ATOM 443 CB ALA A 28 -2.153 -0.508 -9.835 1.00 7.68 C ATOM 0 H ALA A 28 -1.729 0.395 -7.472 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.908 -0.911 -8.616 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.448 -1.125 -10.684 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.469 0.521 -10.008 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.069 -0.541 -9.721 1.00 7.68 H new ATOM 449 N LYS A 29 -1.405 -2.921 -7.747 1.00 8.96 N ATOM 450 CA LYS A 29 -1.006 -4.292 -7.493 1.00 7.90 C ATOM 451 C LYS A 29 -1.971 -4.978 -6.472 1.00 6.92 C ATOM 452 O LYS A 29 -2.378 -6.155 -6.643 1.00 6.87 O ATOM 453 CB LYS A 29 0.484 -4.517 -7.030 1.00 10.28 C ATOM 454 CG LYS A 29 1.521 -3.971 -8.052 1.00 14.94 C ATOM 455 CD LYS A 29 2.935 -4.034 -7.463 1.00 19.69 C ATOM 456 CE LYS A 29 3.896 -3.192 -8.268 1.00 22.63 C ATOM 457 NZ LYS A 29 3.918 -3.587 -9.621 1.00 24.98 N ATOM 0 H LYS A 29 -0.741 -2.239 -7.381 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.073 -4.756 -8.477 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.638 -4.030 -6.067 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.656 -5.583 -6.879 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.477 -4.554 -8.972 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.275 -2.942 -8.315 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.918 -3.686 -6.430 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.279 -5.068 -7.445 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.609 -2.143 -8.198 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.898 -3.277 -7.846 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.769 -3.205 -10.080 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 3.929 -4.625 -9.679 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.072 -3.222 -10.103 1.00 24.98 H new ATOM 471 N ILE A 30 -2.423 -4.274 -5.495 1.00 4.57 N ATOM 472 CA ILE A 30 -3.522 -4.642 -4.574 1.00 5.58 C ATOM 473 C ILE A 30 -4.849 -4.768 -5.255 1.00 7.26 C ATOM 474 O ILE A 30 -5.604 -5.713 -4.997 1.00 9.46 O ATOM 475 CB ILE A 30 -3.586 -3.683 -3.413 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.199 -3.792 -2.601 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.868 -3.959 -2.586 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.275 -2.792 -1.492 1.00 2.00 C ATOM 0 H ILE A 30 -2.031 -3.358 -5.275 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.290 -5.637 -4.193 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.676 -2.643 -3.728 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.059 -4.798 -2.207 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.351 -3.584 -3.253 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.915 -3.266 -1.746 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.745 -3.823 -3.218 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.846 -4.982 -2.211 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.355 -2.825 -0.908 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.403 -1.794 -1.910 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.122 -3.027 -0.848 1.00 2.00 H new ATOM 490 N GLN A 31 -5.196 -3.799 -6.169 1.00 7.06 N ATOM 491 CA GLN A 31 -6.456 -3.905 -6.948 1.00 8.67 C ATOM 492 C GLN A 31 -6.463 -5.142 -7.800 1.00 10.90 C ATOM 493 O GLN A 31 -7.505 -5.855 -7.803 1.00 9.63 O ATOM 494 CB GLN A 31 -6.698 -2.617 -7.719 1.00 9.12 C ATOM 495 CG GLN A 31 -8.029 -2.708 -8.368 1.00 10.76 C ATOM 496 CD GLN A 31 -8.167 -1.727 -9.554 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.202 -1.223 -10.125 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.395 -1.547 -10.096 1.00 14.76 N ATOM 0 H GLN A 31 -4.636 -2.970 -6.371 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.301 -4.022 -6.269 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.660 -1.759 -7.047 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.919 -2.470 -8.468 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.191 -3.727 -8.720 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.805 -2.498 -7.632 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.216 -1.953 -9.646 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.499 -1.006 -10.954 1.00 14.76 H new ATOM 507 N ASP A 32 -5.339 -5.412 -8.479 1.00 10.93 N ATOM 508 CA ASP A 32 -5.208 -6.615 -9.316 1.00 14.01 C ATOM 509 C ASP A 32 -5.435 -7.872 -8.514 1.00 14.04 C ATOM 510 O ASP A 32 -6.170 -8.766 -9.001 1.00 13.39 O ATOM 511 CB ASP A 32 -3.762 -6.593 -9.961 1.00 18.01 C ATOM 512 CG ASP A 32 -3.622 -7.566 -11.067 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.614 -7.495 -11.893 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.669 -8.337 -11.237 1.00 25.17 O ATOM 0 H ASP A 32 -4.511 -4.817 -8.466 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.968 -6.613 -10.098 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.549 -5.591 -10.333 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.021 -6.812 -9.192 1.00 18.01 H new ATOM 519 N LYS A 33 -4.840 -7.988 -7.291 1.00 14.22 N ATOM 520 CA LYS A 33 -5.000 -9.171 -6.458 1.00 14.00 C ATOM 521 C LYS A 33 -6.287 -9.257 -5.758 1.00 12.37 C ATOM 522 O LYS A 33 -6.913 -10.332 -5.727 1.00 12.17 O ATOM 523 CB LYS A 33 -3.749 -9.253 -5.463 1.00 18.62 C ATOM 524 CG LYS A 33 -3.386 -10.640 -4.906 1.00 24.00 C ATOM 525 CD LYS A 33 -2.166 -10.581 -3.864 1.00 27.61 C ATOM 526 CE LYS A 33 -1.357 -11.909 -3.856 1.00 27.64 C ATOM 527 NZ LYS A 33 -2.208 -12.930 -3.499 1.00 30.06 N ATOM 0 H LYS A 33 -4.250 -7.265 -6.879 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.018 -10.043 -7.111 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -2.876 -8.859 -5.984 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -3.944 -8.590 -4.620 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -4.259 -11.071 -4.415 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -3.124 -11.303 -5.731 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.506 -9.753 -4.122 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.550 -10.382 -2.864 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.928 -12.098 -4.840 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.526 -11.844 -3.153 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -1.652 -13.765 -3.224 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -2.797 -12.627 -2.697 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -2.819 -13.171 -4.305 1.00 30.06 H new ATOM 541 N GLU A 34 -6.766 -8.169 -5.125 1.00 10.11 N ATOM 542 CA GLU A 34 -7.828 -8.265 -4.139 1.00 10.07 C ATOM 543 C GLU A 34 -9.154 -7.613 -4.622 1.00 9.32 C ATOM 544 O GLU A 34 -10.178 -7.765 -3.976 1.00 11.61 O ATOM 545 CB GLU A 34 -7.432 -7.816 -2.662 1.00 14.77 C ATOM 546 CG GLU A 34 -6.403 -8.805 -2.027 1.00 18.75 C ATOM 547 CD GLU A 34 -7.046 -10.104 -1.562 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.035 -10.055 -0.772 1.00 25.19 O ATOM 549 OE2 GLU A 34 -6.586 -11.204 -1.928 1.00 21.95 O ATOM 0 H GLU A 34 -6.427 -7.221 -5.287 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.005 -9.337 -4.051 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.008 -6.812 -2.686 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.327 -7.770 -2.041 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.625 -9.030 -2.756 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -5.916 -8.322 -1.180 1.00 18.75 H new ATOM 556 N GLY A 35 -9.175 -6.939 -5.831 1.00 7.22 N ATOM 557 CA GLY A 35 -10.415 -6.464 -6.447 1.00 6.29 C ATOM 558 C GLY A 35 -10.902 -5.137 -5.811 1.00 6.93 C ATOM 559 O GLY A 35 -11.981 -4.622 -6.096 1.00 7.41 O ATOM 0 H GLY A 35 -8.336 -6.728 -6.372 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.257 -6.319 -7.516 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.189 -7.224 -6.339 1.00 6.29 H new ATOM 563 N ILE A 36 -9.987 -4.526 -4.932 1.00 5.86 N ATOM 564 CA ILE A 36 -10.301 -3.352 -4.159 1.00 6.07 C ATOM 565 C ILE A 36 -9.943 -2.124 -4.992 1.00 6.36 C ATOM 566 O ILE A 36 -8.779 -2.019 -5.343 1.00 6.18 O ATOM 567 CB ILE A 36 -9.660 -3.275 -2.719 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.690 -4.661 -1.992 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.439 -2.289 -1.872 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.058 -4.723 -0.574 1.00 9.49 C ATOM 0 H ILE A 36 -9.040 -4.873 -4.783 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.369 -3.399 -3.948 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.623 -2.962 -2.841 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.729 -4.982 -1.915 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.178 -5.387 -2.624 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.997 -2.235 -0.877 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.406 -1.304 -2.337 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.475 -2.618 -1.791 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.144 -5.736 -0.182 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.006 -4.444 -0.632 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.581 -4.032 0.088 1.00 9.49 H new ATOM 582 N PRO A 37 -10.829 -1.164 -5.378 1.00 8.65 N ATOM 583 CA PRO A 37 -10.473 0.054 -6.079 1.00 9.18 C ATOM 584 C PRO A 37 -9.407 0.866 -5.342 1.00 9.85 C ATOM 585 O PRO A 37 -9.685 0.974 -4.122 1.00 8.51 O ATOM 586 CB PRO A 37 -11.827 0.768 -6.239 1.00 11.42 C ATOM 587 CG PRO A 37 -12.818 -0.343 -6.186 1.00 9.27 C ATOM 588 CD PRO A 37 -12.279 -1.331 -5.301 1.00 8.33 C ATOM 0 HA PRO A 37 -9.994 -0.119 -7.043 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.994 1.493 -5.442 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.884 1.312 -7.182 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.782 0.015 -5.826 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.984 -0.762 -7.179 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.639 -1.185 -4.282 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.576 -2.335 -5.604 1.00 8.33 H new ATOM 596 N PRO A 38 -8.282 1.338 -5.871 1.00 8.71 N ATOM 597 CA PRO A 38 -7.444 2.357 -5.200 1.00 9.08 C ATOM 598 C PRO A 38 -8.227 3.499 -4.512 1.00 9.28 C ATOM 599 O PRO A 38 -7.741 3.943 -3.456 1.00 6.50 O ATOM 600 CB PRO A 38 -6.593 2.976 -6.298 1.00 10.31 C ATOM 601 CG PRO A 38 -6.606 1.907 -7.423 1.00 10.81 C ATOM 602 CD PRO A 38 -7.967 1.222 -7.272 1.00 12.00 C ATOM 0 HA PRO A 38 -6.886 1.860 -4.406 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -7.010 3.923 -6.641 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.580 3.180 -5.952 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.496 2.363 -8.407 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.787 1.197 -7.307 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.724 1.705 -7.889 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.921 0.178 -7.582 1.00 12.00 H new ATOM 610 N ASP A 39 -9.327 4.050 -5.099 1.00 11.20 N ATOM 611 CA ASP A 39 -10.223 5.040 -4.451 1.00 14.96 C ATOM 612 C ASP A 39 -10.729 4.511 -3.084 1.00 13.99 C ATOM 613 O ASP A 39 -11.237 5.337 -2.278 1.00 13.75 O ATOM 614 CB ASP A 39 -11.425 5.393 -5.313 1.00 24.16 C ATOM 615 CG ASP A 39 -11.097 6.366 -6.358 1.00 31.06 C ATOM 616 OD1 ASP A 39 -10.222 6.065 -7.240 1.00 34.22 O ATOM 617 OD2 ASP A 39 -11.625 7.525 -6.427 1.00 35.55 O ATOM 0 H ASP A 39 -9.616 3.813 -6.048 1.00 11.20 H new ATOM 0 HA ASP A 39 -9.627 5.942 -4.309 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.816 4.486 -5.775 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -12.216 5.796 -4.681 1.00 24.16 H new ATOM 622 N GLN A 40 -10.707 3.175 -2.786 1.00 11.60 N ATOM 623 CA GLN A 40 -11.231 2.529 -1.551 1.00 10.76 C ATOM 624 C GLN A 40 -10.111 2.027 -0.759 1.00 8.01 C ATOM 625 O GLN A 40 -10.334 1.234 0.136 1.00 8.96 O ATOM 626 CB GLN A 40 -12.226 1.324 -1.853 1.00 11.14 C ATOM 627 CG GLN A 40 -13.520 1.913 -2.322 1.00 14.85 C ATOM 628 CD GLN A 40 -14.633 0.930 -2.644 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.563 -0.282 -2.357 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.685 1.459 -3.269 1.00 18.16 N ATOM 0 H GLN A 40 -10.305 2.495 -3.431 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.793 3.289 -1.008 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.808 0.663 -2.613 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.381 0.722 -0.958 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.881 2.598 -1.555 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.321 2.508 -3.213 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.702 2.456 -3.485 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -16.473 0.867 -3.531 1.00 18.16 H new ATOM 639 N GLN A 41 -8.839 2.426 -1.020 1.00 6.52 N ATOM 640 CA GLN A 41 -7.645 2.080 -0.268 1.00 3.87 C ATOM 641 C GLN A 41 -7.006 3.308 0.268 1.00 4.79 C ATOM 642 O GLN A 41 -6.914 4.319 -0.443 1.00 6.34 O ATOM 643 CB GLN A 41 -6.583 1.411 -1.223 1.00 4.20 C ATOM 644 CG GLN A 41 -7.043 0.084 -1.960 1.00 3.20 C ATOM 645 CD GLN A 41 -5.963 -0.434 -2.866 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.771 -0.453 -2.579 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.408 -0.951 -4.068 1.00 7.13 N ATOM 0 H GLN A 41 -8.627 3.033 -1.812 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.942 1.405 0.534 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.295 2.141 -1.979 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.690 1.187 -0.639 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.298 -0.676 -1.221 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.945 0.280 -2.540 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.402 -0.930 -4.296 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.742 -1.354 -4.727 1.00 7.13 H new ATOM 656 N ARG A 42 -6.580 3.251 1.566 1.00 5.73 N ATOM 657 CA ARG A 42 -5.817 4.188 2.349 1.00 6.97 C ATOM 658 C ARG A 42 -4.650 3.431 2.924 1.00 7.15 C ATOM 659 O ARG A 42 -4.833 2.395 3.520 1.00 7.33 O ATOM 660 CB ARG A 42 -6.690 4.823 3.429 1.00 13.23 C ATOM 661 CG ARG A 42 -6.097 6.051 4.140 1.00 21.27 C ATOM 662 CD ARG A 42 -5.368 5.752 5.507 1.00 26.14 C ATOM 663 NE ARG A 42 -4.944 7.050 6.160 1.00 32.26 N ATOM 664 CZ ARG A 42 -5.136 7.511 7.379 1.00 34.32 C ATOM 665 NH1 ARG A 42 -5.950 6.813 8.222 1.00 35.30 N ATOM 666 NH2 ARG A 42 -4.433 8.526 7.908 1.00 36.39 N ATOM 0 H ARG A 42 -6.809 2.432 2.129 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.452 5.014 1.738 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -7.639 5.113 2.977 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -6.913 4.065 4.180 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.388 6.533 3.467 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -6.899 6.766 4.324 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -6.034 5.201 6.171 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -4.497 5.120 5.334 1.00 26.14 H new ATOM 0 HE ARG A 42 -4.418 7.676 5.550 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -6.396 5.952 7.904 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -6.113 7.152 9.170 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -3.705 8.983 7.359 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -4.627 8.840 8.859 1.00 36.39 H new ATOM 680 N LEU A 43 -3.405 3.846 2.658 1.00 4.65 N ATOM 681 CA LEU A 43 -2.187 3.078 2.909 1.00 3.51 C ATOM 682 C LEU A 43 -1.357 3.689 4.016 1.00 5.56 C ATOM 683 O LEU A 43 -1.022 4.894 4.085 1.00 4.19 O ATOM 684 CB LEU A 43 -1.264 2.784 1.745 1.00 3.74 C ATOM 685 CG LEU A 43 -1.704 1.748 0.744 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.681 1.798 -0.346 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.785 0.319 1.356 1.00 6.41 C ATOM 0 H LEU A 43 -3.215 4.760 2.247 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.613 2.113 3.183 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -1.094 3.717 1.208 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.302 2.470 2.151 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.711 1.962 0.386 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.933 1.069 -1.116 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.664 2.796 -0.784 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.301 1.566 0.066 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.107 -0.387 0.590 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.803 0.027 1.729 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.501 0.315 2.177 1.00 6.41 H new ATOM 699 N ILE A 44 -0.993 2.826 5.000 1.00 4.58 N ATOM 700 CA ILE A 44 -0.247 3.314 6.195 1.00 5.55 C ATOM 701 C ILE A 44 1.042 2.456 6.305 1.00 5.46 C ATOM 702 O ILE A 44 0.984 1.293 5.957 1.00 6.04 O ATOM 703 CB ILE A 44 -1.201 3.201 7.401 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.379 4.217 7.372 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.563 3.217 8.811 1.00 7.39 C ATOM 706 CD1 ILE A 44 -1.920 5.645 7.096 1.00 13.90 C ATOM 0 H ILE A 44 -1.193 1.826 4.996 1.00 4.58 H new ATOM 0 HA ILE A 44 0.069 4.356 6.139 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.577 2.189 7.250 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.094 3.916 6.607 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.903 4.187 8.327 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.345 3.131 9.565 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.128 2.379 8.907 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.022 4.152 8.955 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -2.784 6.310 7.087 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -1.227 5.961 7.875 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -1.421 5.686 6.128 1.00 13.90 H new ATOM 718 N PHE A 45 2.163 3.020 6.816 1.00 6.75 N ATOM 719 CA PHE A 45 3.414 2.249 7.088 1.00 4.70 C ATOM 720 C PHE A 45 3.910 2.917 8.349 1.00 6.34 C ATOM 721 O PHE A 45 3.950 4.130 8.394 1.00 5.45 O ATOM 722 CB PHE A 45 4.422 2.227 5.904 1.00 5.51 C ATOM 723 CG PHE A 45 5.854 1.884 6.270 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.164 0.628 6.761 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.873 2.776 5.909 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.477 0.217 6.935 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.198 2.382 6.169 1.00 6.64 C ATOM 728 CZ PHE A 45 8.484 1.088 6.650 1.00 6.84 C ATOM 0 H PHE A 45 2.232 4.010 7.051 1.00 6.75 H new ATOM 0 HA PHE A 45 3.256 1.178 7.211 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.072 1.506 5.165 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.413 3.206 5.424 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.363 -0.050 7.015 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.650 3.728 5.450 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.697 -0.779 7.291 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.005 3.079 5.998 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.511 0.785 6.794 1.00 6.84 H new ATOM 738 N ALA A 46 4.072 2.096 9.407 1.00 6.53 N ATOM 739 CA ALA A 46 4.668 2.599 10.704 1.00 7.15 C ATOM 740 C ALA A 46 3.830 3.690 11.425 1.00 9.00 C ATOM 741 O ALA A 46 4.334 4.666 12.026 1.00 11.15 O ATOM 742 CB ALA A 46 6.064 3.070 10.484 1.00 8.99 C ATOM 0 H ALA A 46 3.814 1.109 9.412 1.00 6.53 H new ATOM 0 HA ALA A 46 4.663 1.743 11.378 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.480 3.429 11.426 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.671 2.246 10.110 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.064 3.881 9.755 1.00 8.99 H new ATOM 748 N GLY A 47 2.441 3.587 11.299 1.00 9.35 N ATOM 749 CA GLY A 47 1.516 4.503 11.929 1.00 11.68 C ATOM 750 C GLY A 47 1.300 5.897 11.267 1.00 11.14 C ATOM 751 O GLY A 47 0.633 6.771 11.848 1.00 13.93 O ATOM 0 H GLY A 47 1.984 2.857 10.753 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.546 4.009 11.990 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.854 4.668 12.952 1.00 11.68 H new ATOM 755 N LYS A 48 1.933 6.137 10.053 1.00 10.47 N ATOM 756 CA LYS A 48 1.802 7.344 9.252 1.00 8.82 C ATOM 757 C LYS A 48 1.461 6.942 7.838 1.00 7.68 C ATOM 758 O LYS A 48 1.628 5.847 7.383 1.00 6.47 O ATOM 759 CB LYS A 48 3.194 8.091 9.268 1.00 9.74 C ATOM 760 CG LYS A 48 3.700 8.470 10.679 1.00 14.14 C ATOM 761 CD LYS A 48 5.230 8.432 10.912 1.00 16.32 C ATOM 762 CE LYS A 48 6.025 9.144 9.761 1.00 20.04 C ATOM 763 NZ LYS A 48 7.463 9.224 10.012 1.00 23.92 N ATOM 0 H LYS A 48 2.557 5.452 9.627 1.00 10.47 H new ATOM 0 HA LYS A 48 1.022 7.996 9.646 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.938 7.457 8.787 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.113 8.998 8.669 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.348 9.476 10.906 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.231 7.799 11.398 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.463 8.912 11.862 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.558 7.395 10.990 1.00 16.32 H new ATOM 0 HE2 LYS A 48 5.856 8.608 8.827 1.00 20.04 H new ATOM 0 HE3 LYS A 48 5.631 10.151 9.626 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 7.928 9.704 9.215 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.633 9.760 10.887 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.852 8.265 10.113 1.00 23.92 H new ATOM 777 N GLN A 49 0.988 7.925 7.051 1.00 8.89 N ATOM 778 CA GLN A 49 0.479 7.842 5.709 1.00 7.18 C ATOM 779 C GLN A 49 1.423 8.336 4.670 1.00 8.23 C ATOM 780 O GLN A 49 2.271 9.203 4.912 1.00 9.70 O ATOM 781 CB GLN A 49 -0.818 8.689 5.606 1.00 11.67 C ATOM 782 CG GLN A 49 -1.529 8.619 4.253 1.00 15.82 C ATOM 783 CD GLN A 49 -2.741 9.595 4.256 1.00 20.21 C ATOM 784 OE1 GLN A 49 -3.852 9.217 4.613 1.00 23.23 O ATOM 785 NE2 GLN A 49 -2.512 10.799 3.796 1.00 20.67 N ATOM 0 H GLN A 49 0.959 8.886 7.393 1.00 8.89 H new ATOM 0 HA GLN A 49 0.306 6.783 5.518 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.511 8.361 6.381 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -0.572 9.730 5.817 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -0.838 8.882 3.452 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -1.868 7.601 4.060 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -1.569 11.066 3.512 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -3.276 11.471 3.722 1.00 20.67 H new ATOM 794 N LEU A 50 1.450 7.669 3.488 1.00 6.51 N ATOM 795 CA LEU A 50 2.445 7.921 2.490 1.00 7.41 C ATOM 796 C LEU A 50 1.768 8.602 1.281 1.00 8.27 C ATOM 797 O LEU A 50 0.676 8.173 0.904 1.00 8.34 O ATOM 798 CB LEU A 50 2.953 6.576 1.939 1.00 7.13 C ATOM 799 CG LEU A 50 3.474 5.527 2.979 1.00 7.53 C ATOM 800 CD1 LEU A 50 4.330 6.187 4.031 1.00 8.14 C ATOM 801 CD2 LEU A 50 2.364 4.622 3.538 1.00 9.11 C ATOM 0 H LEU A 50 0.773 6.951 3.229 1.00 6.51 H new ATOM 0 HA LEU A 50 3.240 8.523 2.929 1.00 7.41 H new ATOM 0 HB2 LEU A 50 2.144 6.116 1.372 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.759 6.782 1.235 1.00 7.13 H new ATOM 0 HG LEU A 50 4.126 4.833 2.448 1.00 7.53 H new ATOM 0 HD11 LEU A 50 4.678 5.436 4.740 1.00 8.14 H new ATOM 0 HD12 LEU A 50 5.188 6.663 3.556 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.743 6.939 4.558 1.00 8.14 H new ATOM 0 HD21 LEU A 50 2.793 3.919 4.252 1.00 9.11 H new ATOM 0 HD22 LEU A 50 1.613 5.234 4.037 1.00 9.11 H new ATOM 0 HD23 LEU A 50 1.898 4.071 2.721 1.00 9.11 H new ATOM 813 N GLU A 51 2.374 9.686 0.712 1.00 9.43 N ATOM 814 CA GLU A 51 1.994 10.339 -0.519 1.00 11.90 C ATOM 815 C GLU A 51 2.108 9.463 -1.766 1.00 11.49 C ATOM 816 O GLU A 51 3.029 8.694 -1.960 1.00 9.88 O ATOM 817 CB GLU A 51 2.684 11.636 -0.719 1.00 16.56 C ATOM 818 CG GLU A 51 2.338 12.748 0.367 1.00 26.06 C ATOM 819 CD GLU A 51 3.434 13.828 0.387 1.00 29.86 C ATOM 820 OE1 GLU A 51 3.802 14.417 -0.661 1.00 32.13 O ATOM 821 OE2 GLU A 51 4.066 14.032 1.481 1.00 33.44 O ATOM 0 H GLU A 51 3.183 10.131 1.147 1.00 9.43 H new ATOM 0 HA GLU A 51 0.930 10.538 -0.388 1.00 11.90 H new ATOM 0 HB2 GLU A 51 3.760 11.464 -0.713 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.428 12.020 -1.707 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.374 13.202 0.139 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.250 12.290 1.352 1.00 26.06 H new ATOM 828 N ASP A 52 1.111 9.525 -2.668 1.00 12.71 N ATOM 829 CA ASP A 52 0.906 8.564 -3.685 1.00 16.56 C ATOM 830 C ASP A 52 1.979 8.504 -4.766 1.00 15.83 C ATOM 831 O ASP A 52 2.453 7.441 -5.221 1.00 17.21 O ATOM 832 CB ASP A 52 -0.431 8.646 -4.344 1.00 21.05 C ATOM 833 CG ASP A 52 -1.460 8.605 -3.237 1.00 25.12 C ATOM 834 OD1 ASP A 52 -1.704 7.516 -2.716 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.082 9.676 -2.926 1.00 25.82 O ATOM 0 H ASP A 52 0.425 10.279 -2.681 1.00 12.71 H new ATOM 0 HA ASP A 52 0.968 7.639 -3.111 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.522 9.565 -4.924 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.573 7.816 -5.037 1.00 21.05 H new ATOM 840 N GLY A 53 2.404 9.645 -5.236 1.00 15.00 N ATOM 841 CA GLY A 53 3.373 9.760 -6.305 1.00 11.77 C ATOM 842 C GLY A 53 4.837 9.509 -6.013 1.00 11.10 C ATOM 843 O GLY A 53 5.642 9.701 -6.968 1.00 11.25 O ATOM 0 H GLY A 53 2.082 10.545 -4.881 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.074 9.069 -7.093 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.289 10.766 -6.715 1.00 11.77 H new ATOM 847 N ARG A 54 5.186 9.165 -4.821 1.00 8.53 N ATOM 848 CA ARG A 54 6.525 9.011 -4.370 1.00 9.05 C ATOM 849 C ARG A 54 6.761 7.512 -4.307 1.00 8.96 C ATOM 850 O ARG A 54 5.837 6.705 -4.296 1.00 11.60 O ATOM 851 CB ARG A 54 6.857 9.777 -3.069 1.00 7.97 C ATOM 852 CG ARG A 54 6.175 11.149 -2.910 1.00 9.62 C ATOM 853 CD ARG A 54 6.733 11.937 -1.797 1.00 12.20 C ATOM 854 NE ARG A 54 6.067 13.289 -1.838 1.00 18.23 N ATOM 855 CZ ARG A 54 6.205 14.280 -2.727 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.054 14.309 -3.743 1.00 25.50 N ATOM 857 NH2 ARG A 54 5.403 15.358 -2.591 1.00 23.38 N ATOM 0 H ARG A 54 4.501 8.972 -4.091 1.00 8.53 H new ATOM 0 HA ARG A 54 7.225 9.480 -5.062 1.00 9.05 H new ATOM 0 HB2 ARG A 54 6.578 9.153 -2.220 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.936 9.920 -3.019 1.00 7.97 H new ATOM 0 HG2 ARG A 54 6.281 11.712 -3.837 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.107 11.002 -2.746 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.546 11.444 -0.843 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.814 12.036 -1.898 1.00 12.20 H new ATOM 0 HE ARG A 54 5.415 13.476 -1.076 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.684 13.523 -3.904 1.00 25.50 H new ATOM 0 HH12 ARG A 54 7.078 15.117 -4.365 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.723 15.395 -1.831 1.00 23.38 H new ATOM 0 HH22 ARG A 54 5.477 16.135 -3.248 1.00 23.38 H new ATOM 871 N THR A 55 8.036 7.165 -4.181 1.00 9.05 N ATOM 872 CA THR A 55 8.467 5.757 -4.297 1.00 9.03 C ATOM 873 C THR A 55 8.832 5.099 -3.014 1.00 8.15 C ATOM 874 O THR A 55 8.883 5.713 -1.951 1.00 5.91 O ATOM 875 CB THR A 55 9.670 5.532 -5.239 1.00 11.15 C ATOM 876 OG1 THR A 55 10.864 6.180 -4.818 1.00 11.95 O ATOM 877 CG2 THR A 55 9.387 6.085 -6.593 1.00 11.71 C ATOM 0 H THR A 55 8.792 7.825 -4.000 1.00 9.05 H new ATOM 0 HA THR A 55 7.563 5.306 -4.706 1.00 9.03 H new ATOM 0 HB THR A 55 9.814 4.452 -5.236 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.693 7.138 -4.703 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.247 5.917 -7.242 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.512 5.589 -7.013 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.195 7.155 -6.516 1.00 11.71 H new ATOM 885 N LEU A 56 8.957 3.758 -3.098 1.00 6.91 N ATOM 886 CA LEU A 56 9.314 2.898 -2.012 1.00 8.29 C ATOM 887 C LEU A 56 10.671 3.234 -1.480 1.00 8.05 C ATOM 888 O LEU A 56 10.866 3.388 -0.262 1.00 10.17 O ATOM 889 CB LEU A 56 9.164 1.408 -2.487 1.00 6.60 C ATOM 890 CG LEU A 56 7.740 1.146 -3.067 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.530 -0.303 -3.438 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.605 1.532 -2.090 1.00 8.64 C ATOM 0 H LEU A 56 8.800 3.251 -3.969 1.00 6.91 H new ATOM 0 HA LEU A 56 8.641 3.045 -1.167 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.915 1.187 -3.245 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.349 0.735 -1.649 1.00 6.60 H new ATOM 0 HG LEU A 56 7.693 1.779 -3.953 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.524 -0.434 -3.837 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.260 -0.595 -4.192 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.654 -0.927 -2.553 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.640 1.325 -2.553 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.700 0.949 -1.174 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.674 2.594 -1.853 1.00 8.64 H new ATOM 904 N SER A 57 11.599 3.419 -2.375 1.00 8.92 N ATOM 905 CA SER A 57 12.896 3.949 -2.010 1.00 9.00 C ATOM 906 C SER A 57 12.795 5.351 -1.326 1.00 9.44 C ATOM 907 O SER A 57 13.515 5.522 -0.318 1.00 10.91 O ATOM 908 CB SER A 57 13.797 4.199 -3.311 1.00 10.32 C ATOM 909 OG SER A 57 14.090 2.936 -3.959 1.00 13.59 O ATOM 0 H SER A 57 11.488 3.212 -3.368 1.00 8.92 H new ATOM 0 HA SER A 57 13.325 3.209 -1.335 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.276 4.860 -4.003 1.00 10.32 H new ATOM 0 HB3 SER A 57 14.725 4.698 -3.031 1.00 10.32 H new ATOM 0 HG SER A 57 13.252 2.477 -4.175 1.00 13.59 H new ATOM 915 N ASP A 58 12.005 6.316 -1.761 1.00 9.11 N ATOM 916 CA ASP A 58 11.857 7.569 -1.011 1.00 7.91 C ATOM 917 C ASP A 58 11.363 7.398 0.422 1.00 9.12 C ATOM 918 O ASP A 58 11.844 8.016 1.410 1.00 8.61 O ATOM 919 CB ASP A 58 10.905 8.595 -1.747 1.00 8.41 C ATOM 920 CG ASP A 58 11.331 8.947 -3.168 1.00 11.50 C ATOM 921 OD1 ASP A 58 12.496 9.282 -3.432 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.527 8.803 -4.102 1.00 11.70 O ATOM 0 H ASP A 58 11.457 6.266 -2.620 1.00 9.11 H new ATOM 0 HA ASP A 58 12.874 7.960 -0.965 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.898 8.180 -1.776 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.855 9.511 -1.159 1.00 8.41 H new ATOM 927 N TYR A 59 10.320 6.535 0.576 1.00 7.97 N ATOM 928 CA TYR A 59 9.638 6.324 1.850 1.00 8.45 C ATOM 929 C TYR A 59 10.344 5.273 2.681 1.00 10.98 C ATOM 930 O TYR A 59 9.845 4.930 3.770 1.00 12.95 O ATOM 931 CB TYR A 59 8.188 5.967 1.581 1.00 7.94 C ATOM 932 CG TYR A 59 7.342 7.223 1.478 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.379 8.091 2.587 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.581 7.450 0.363 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.656 9.300 2.506 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.782 8.621 0.307 1.00 6.52 C ATOM 937 CZ TYR A 59 5.829 9.548 1.377 1.00 6.76 C ATOM 938 OH TYR A 59 5.076 10.683 1.303 1.00 7.63 O ATOM 0 H TYR A 59 9.942 5.975 -0.188 1.00 7.97 H new ATOM 0 HA TYR A 59 9.664 7.243 2.436 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.114 5.394 0.656 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.809 5.331 2.381 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.944 7.839 3.472 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.589 6.750 -0.459 1.00 6.98 H new ATOM 0 HE1 TYR A 59 6.731 10.032 3.297 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.143 8.804 -0.544 1.00 6.52 H new ATOM 0 HH TYR A 59 5.663 11.457 1.177 1.00 7.63 H new ATOM 948 N ASN A 60 11.513 4.705 2.263 1.00 12.38 N ATOM 949 CA ASN A 60 12.174 3.731 3.155 1.00 13.94 C ATOM 950 C ASN A 60 11.413 2.414 3.341 1.00 14.16 C ATOM 951 O ASN A 60 11.296 1.910 4.435 1.00 14.26 O ATOM 952 CB ASN A 60 12.717 4.235 4.517 1.00 19.23 C ATOM 953 CG ASN A 60 13.495 5.499 4.395 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.059 6.584 4.844 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.711 5.374 3.819 1.00 24.09 N ATOM 0 H ASN A 60 11.983 4.892 1.377 1.00 12.38 H new ATOM 0 HA ASN A 60 13.067 3.543 2.560 1.00 13.94 H new ATOM 0 HB2 ASN A 60 11.882 4.392 5.200 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.350 3.465 4.958 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.321 6.187 3.734 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.019 4.467 3.469 1.00 24.09 H new ATOM 962 N ILE A 61 10.937 1.839 2.225 1.00 11.08 N ATOM 963 CA ILE A 61 10.164 0.633 2.180 1.00 11.78 C ATOM 964 C ILE A 61 11.127 -0.273 1.393 1.00 13.74 C ATOM 965 O ILE A 61 11.719 0.091 0.353 1.00 14.60 O ATOM 966 CB ILE A 61 8.794 0.777 1.499 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.840 1.554 2.545 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.092 -0.628 1.110 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.526 2.020 1.944 1.00 11.42 C ATOM 0 H ILE A 61 11.099 2.236 1.300 1.00 11.08 H new ATOM 0 HA ILE A 61 9.872 0.264 3.163 1.00 11.78 H new ATOM 0 HB ILE A 61 8.941 1.309 0.559 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.630 0.897 3.389 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.376 2.418 2.939 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.130 -0.435 0.635 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.734 -1.177 0.421 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.938 -1.220 2.012 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.939 2.533 2.706 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.725 2.703 1.118 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.969 1.159 1.576 1.00 11.42 H new ATOM 981 N GLN A 62 11.244 -1.524 1.900 1.00 13.97 N ATOM 982 CA GLN A 62 12.309 -2.480 1.583 1.00 15.52 C ATOM 983 C GLN A 62 11.784 -3.840 1.585 1.00 13.94 C ATOM 984 O GLN A 62 10.628 -4.072 1.960 1.00 12.15 O ATOM 985 CB GLN A 62 13.496 -2.374 2.529 1.00 19.53 C ATOM 986 CG GLN A 62 13.382 -2.739 4.054 1.00 26.38 C ATOM 987 CD GLN A 62 12.465 -1.764 4.771 1.00 30.61 C ATOM 988 OE1 GLN A 62 11.272 -2.057 5.015 1.00 33.23 O ATOM 989 NE2 GLN A 62 12.997 -0.565 5.115 1.00 32.71 N ATOM 0 H GLN A 62 10.569 -1.900 2.565 1.00 13.97 H new ATOM 0 HA GLN A 62 12.673 -2.229 0.587 1.00 15.52 H new ATOM 0 HB2 GLN A 62 14.285 -3.001 2.114 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.847 -1.343 2.478 1.00 19.53 H new ATOM 0 HG2 GLN A 62 12.999 -3.754 4.163 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.371 -2.721 4.513 1.00 26.38 H new ATOM 0 HE21 GLN A 62 13.973 -0.360 4.901 1.00 32.71 H new ATOM 0 HE22 GLN A 62 12.421 0.132 5.588 1.00 32.71 H new ATOM 998 N LYS A 63 12.589 -4.807 1.158 1.00 11.73 N ATOM 999 CA LYS A 63 12.202 -6.237 1.237 1.00 11.97 C ATOM 1000 C LYS A 63 11.754 -6.672 2.644 1.00 10.41 C ATOM 1001 O LYS A 63 12.135 -6.212 3.725 1.00 9.59 O ATOM 1002 CB LYS A 63 13.413 -7.033 0.711 1.00 13.73 C ATOM 1003 CG LYS A 63 14.732 -6.891 1.509 1.00 16.98 C ATOM 1004 CD LYS A 63 16.110 -7.298 0.823 1.00 20.19 C ATOM 1005 CE LYS A 63 16.154 -8.835 0.601 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.457 -9.335 0.139 1.00 25.97 N ATOM 0 H LYS A 63 13.511 -4.642 0.754 1.00 11.73 H new ATOM 0 HA LYS A 63 11.318 -6.430 0.629 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.142 -8.088 0.685 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.602 -6.727 -0.318 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.816 -5.849 1.818 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.631 -7.486 2.417 1.00 16.98 H new ATOM 0 HD2 LYS A 63 16.219 -6.780 -0.130 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.945 -6.988 1.451 1.00 20.19 H new ATOM 0 HE2 LYS A 63 15.895 -9.334 1.535 1.00 23.42 H new ATOM 0 HE3 LYS A 63 15.392 -9.108 -0.129 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.408 -10.366 0.014 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.699 -8.887 -0.768 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 18.187 -9.106 0.844 1.00 25.97 H new ATOM 1020 N GLU A 64 10.838 -7.640 2.638 1.00 10.04 N ATOM 1021 CA GLU A 64 10.032 -8.066 3.737 1.00 10.94 C ATOM 1022 C GLU A 64 9.315 -7.070 4.571 1.00 9.74 C ATOM 1023 O GLU A 64 8.994 -7.382 5.698 1.00 9.42 O ATOM 1024 CB GLU A 64 10.683 -9.303 4.397 1.00 18.31 C ATOM 1025 CG GLU A 64 10.919 -10.446 3.432 1.00 24.16 C ATOM 1026 CD GLU A 64 11.563 -11.730 4.014 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.437 -11.676 4.888 1.00 31.72 O ATOM 1028 OE2 GLU A 64 11.169 -12.826 3.552 1.00 32.61 O ATOM 0 H GLU A 64 10.640 -8.175 1.792 1.00 10.04 H new ATOM 0 HA GLU A 64 9.078 -8.388 3.320 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.634 -9.010 4.841 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.045 -9.650 5.210 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.962 -10.718 2.987 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.555 -10.083 2.624 1.00 24.16 H new ATOM 1035 N SER A 65 9.041 -5.869 4.024 1.00 6.85 N ATOM 1036 CA SER A 65 8.309 -4.872 4.694 1.00 6.90 C ATOM 1037 C SER A 65 6.836 -5.092 4.936 1.00 4.72 C ATOM 1038 O SER A 65 6.193 -5.931 4.223 1.00 3.91 O ATOM 1039 CB SER A 65 8.522 -3.479 4.115 1.00 7.28 C ATOM 1040 OG SER A 65 8.393 -2.493 5.132 1.00 10.56 O ATOM 0 H SER A 65 9.344 -5.598 3.088 1.00 6.85 H new ATOM 0 HA SER A 65 8.758 -4.957 5.683 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.511 -3.415 3.661 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.795 -3.292 3.324 1.00 7.28 H new ATOM 0 HG SER A 65 9.273 -2.108 5.328 1.00 10.56 H new ATOM 1046 N THR A 66 6.264 -4.411 5.924 1.00 4.48 N ATOM 1047 CA THR A 66 4.876 -4.565 6.234 1.00 3.80 C ATOM 1048 C THR A 66 4.229 -3.302 6.062 1.00 4.60 C ATOM 1049 O THR A 66 4.714 -2.320 6.610 1.00 5.33 O ATOM 1050 CB THR A 66 4.686 -4.902 7.686 1.00 2.85 C ATOM 1051 OG1 THR A 66 5.577 -5.979 8.109 1.00 2.15 O ATOM 1052 CG2 THR A 66 3.232 -5.247 7.951 1.00 3.40 C ATOM 0 H THR A 66 6.758 -3.746 6.519 1.00 4.48 H new ATOM 0 HA THR A 66 4.476 -5.349 5.591 1.00 3.80 H new ATOM 0 HB THR A 66 4.948 -4.026 8.280 1.00 2.85 H new ATOM 0 HG1 THR A 66 5.429 -6.172 9.058 1.00 2.15 H new ATOM 0 HG21 THR A 66 3.102 -5.490 9.006 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.603 -4.394 7.695 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.945 -6.105 7.343 1.00 3.40 H new ATOM 1060 N LEU A 67 3.120 -3.299 5.280 1.00 4.17 N ATOM 1061 CA LEU A 67 2.242 -2.120 5.061 1.00 3.85 C ATOM 1062 C LEU A 67 0.840 -2.345 5.629 1.00 3.80 C ATOM 1063 O LEU A 67 0.331 -3.459 5.571 1.00 5.54 O ATOM 1064 CB LEU A 67 1.977 -1.838 3.545 1.00 7.18 C ATOM 1065 CG LEU A 67 3.261 -1.825 2.740 1.00 9.67 C ATOM 1066 CD1 LEU A 67 2.919 -1.158 1.458 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.510 -1.105 3.234 1.00 11.66 C ATOM 0 H LEU A 67 2.805 -4.128 4.776 1.00 4.17 H new ATOM 0 HA LEU A 67 2.775 -1.302 5.545 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.306 -2.599 3.146 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.471 -0.879 3.437 1.00 7.18 H new ATOM 0 HG LEU A 67 3.557 -2.874 2.749 1.00 9.67 H new ATOM 0 HD11 LEU A 67 3.804 -1.113 0.824 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.137 -1.723 0.951 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.564 -0.147 1.657 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.311 -1.223 2.504 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.291 -0.045 3.364 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.822 -1.531 4.187 1.00 11.66 H new ATOM 1079 N HIS A 68 0.221 -1.322 6.198 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.110 -1.462 6.668 1.00 4.17 C ATOM 1081 C HIS A 68 -2.038 -0.888 5.640 1.00 5.32 C ATOM 1082 O HIS A 68 -1.853 0.216 5.160 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.227 -0.747 8.045 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.562 -1.385 9.217 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.786 -1.370 9.454 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.076 -2.227 10.209 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.033 -2.248 10.490 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.044 -2.763 10.997 1.00 16.30 N ATOM 0 H HIS A 68 0.633 -0.399 6.336 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.381 -2.507 6.815 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.821 0.259 7.936 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.286 -0.640 8.278 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -2.126 -2.437 10.350 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.026 -2.483 10.844 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -0.123 -3.407 11.784 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.157 -1.562 5.343 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.210 -1.012 4.474 1.00 3.97 C ATOM 1098 C LEU A 69 -5.471 -0.737 5.251 1.00 5.07 C ATOM 1099 O LEU A 69 -5.946 -1.492 6.105 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.406 -2.022 3.287 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.682 -1.905 2.375 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.767 -0.648 1.553 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.622 -3.158 1.459 1.00 9.96 C ATOM 0 H LEU A 69 -3.359 -2.498 5.695 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.924 -0.042 4.067 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.533 -1.939 2.640 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.396 -3.027 3.708 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.574 -1.854 3.000 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.681 -0.662 0.960 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.777 0.219 2.214 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.904 -0.588 0.889 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.479 -3.158 0.786 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.702 -3.138 0.875 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.643 -4.059 2.073 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.047 0.469 5.060 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.252 0.965 5.679 1.00 6.26 C ATOM 1117 C VAL A 70 -8.249 1.235 4.578 1.00 9.22 C ATOM 1118 O VAL A 70 -7.916 1.885 3.585 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.096 2.157 6.626 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.202 2.161 7.707 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.694 1.997 7.253 1.00 8.54 C ATOM 0 H VAL A 70 -5.639 1.153 4.423 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.602 0.190 6.361 1.00 6.26 H new ATOM 0 HB VAL A 70 -7.194 3.107 6.101 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.065 3.019 8.365 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -9.179 2.224 7.228 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.143 1.243 8.292 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.509 2.818 7.946 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.642 1.050 7.790 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.940 2.010 6.466 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.486 0.662 4.657 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.525 0.826 3.674 1.00 16.06 C ATOM 1133 C LEU A 71 -11.007 2.279 3.667 1.00 18.09 C ATOM 1134 O LEU A 71 -11.246 2.917 4.699 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.525 -0.409 3.632 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.743 -1.773 3.517 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.602 -3.038 3.500 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.939 -1.884 2.169 1.00 19.57 C ATOM 0 H LEU A 71 -9.764 0.065 5.436 1.00 12.71 H new ATOM 0 HA LEU A 71 -10.174 0.734 2.646 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.139 -0.414 4.533 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.203 -0.303 2.785 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.126 -1.736 4.415 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.958 -3.914 3.418 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.180 -3.098 4.422 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.281 -3.006 2.648 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.416 -2.840 2.135 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.629 -1.817 1.327 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.214 -1.072 2.110 1.00 19.57 H new