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 55 THR OG1 : rot -83:sc= 0.981 USER MOD Set 1.2: A 57 SER OG : rot -48:sc= 0.853 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 25 ASN : amide:sc= -0.0942 K(o=-0.094,f=-1.7!) USER MOD Set 3.1: A 7 THR OG1 : rot 159:sc= 1.68 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 1.03 USER MOD Single : A 1 MET CE :methyl -168:sc= 0 (180deg=-0.11) USER MOD Single : A 1 MET N :NH3+ 164:sc= 1.44 (180deg=1.07) USER MOD Single : A 2 GLN : amide:sc= 0.325 K(o=0.33,f=-0.19) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 138:sc= 1.02 (180deg=-0.446!) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0299 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.00309 USER MOD Single : A 27 LYS NZ :NH3+ -105:sc= 0.431 (180deg=0.113) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.155 X(o=-0.15,f=-0.0064) USER MOD Single : A 41 GLN : amide:sc= -0.254 K(o=-0.25,f=-2.9!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 150:sc= 0.357 USER MOD Single : A 60 ASN : amide:sc= -0.0826 X(o=-0.083,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 63 LYS NZ :NH3+ 166:sc= -0.066 (180deg=-0.312) USER MOD Single : A 65 SER OG : rot -125:sc= 0.0468 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0701 X(o=-0.07,f=-0.51) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.273 -7.094 -4.897 1.00 9.67 N ATOM 2 CA MET A 1 11.295 -7.515 -3.481 1.00 10.38 C ATOM 3 C MET A 1 9.920 -7.714 -2.919 1.00 9.62 C ATOM 4 O MET A 1 8.934 -7.180 -3.497 1.00 9.62 O ATOM 5 CB MET A 1 12.025 -6.347 -2.675 1.00 13.77 C ATOM 6 CG MET A 1 11.265 -4.998 -2.794 1.00 16.29 C ATOM 7 SD MET A 1 12.177 -3.691 -1.945 1.00 17.17 S ATOM 8 CE MET A 1 10.663 -2.753 -1.827 1.00 16.11 C ATOM 0 H1 MET A 1 12.204 -6.712 -5.160 1.00 9.67 H new ATOM 0 H2 MET A 1 11.052 -7.913 -5.499 1.00 9.67 H new ATOM 0 H3 MET A 1 10.548 -6.360 -5.030 1.00 9.67 H new ATOM 0 HA MET A 1 11.809 -8.472 -3.396 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.106 -6.627 -1.625 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.041 -6.226 -3.052 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.135 -4.737 -3.844 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.268 -5.095 -2.363 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.890 -1.733 -1.517 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.169 -2.736 -2.798 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.004 -3.217 -1.093 1.00 16.11 H new ATOM 20 N GLN A 2 9.799 -8.483 -1.829 1.00 9.27 N ATOM 21 CA GLN A 2 8.492 -8.749 -1.289 1.00 9.07 C ATOM 22 C GLN A 2 8.068 -7.706 -0.291 1.00 8.72 C ATOM 23 O GLN A 2 8.850 -7.223 0.535 1.00 8.22 O ATOM 24 CB GLN A 2 8.590 -10.158 -0.556 1.00 14.46 C ATOM 25 CG GLN A 2 8.802 -11.349 -1.578 1.00 17.01 C ATOM 26 CD GLN A 2 7.498 -11.799 -2.268 1.00 20.10 C ATOM 27 OE1 GLN A 2 6.937 -12.729 -1.668 1.00 21.89 O ATOM 28 NE2 GLN A 2 6.999 -11.189 -3.336 1.00 19.49 N ATOM 0 H GLN A 2 10.576 -8.914 -1.327 1.00 9.27 H new ATOM 0 HA GLN A 2 7.754 -8.741 -2.092 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.416 -10.140 0.155 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.680 -10.331 0.018 1.00 14.46 H new ATOM 0 HG2 GLN A 2 9.520 -11.043 -2.338 1.00 17.01 H new ATOM 0 HG3 GLN A 2 9.238 -12.198 -1.051 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.517 -10.430 -3.779 1.00 19.49 H new ATOM 0 HE22 GLN A 2 6.097 -11.479 -3.714 1.00 19.49 H new ATOM 37 N ILE A 3 6.795 -7.311 -0.304 1.00 5.87 N ATOM 38 CA ILE A 3 6.260 -6.516 0.851 1.00 5.07 C ATOM 39 C ILE A 3 4.926 -7.139 1.314 1.00 4.01 C ATOM 40 O ILE A 3 4.254 -7.858 0.559 1.00 4.61 O ATOM 41 CB ILE A 3 6.017 -5.021 0.632 1.00 6.55 C ATOM 42 CG1 ILE A 3 4.996 -4.684 -0.447 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.445 -4.433 0.364 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.012 -3.214 -0.739 1.00 10.83 C ATOM 0 H ILE A 3 6.128 -7.505 -1.051 1.00 5.87 H new ATOM 0 HA ILE A 3 7.062 -6.568 1.588 1.00 5.07 H new ATOM 0 HB ILE A 3 5.544 -4.570 1.504 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.218 -5.244 -1.355 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.000 -4.986 -0.122 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.370 -3.359 0.195 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.084 -4.621 1.227 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.876 -4.910 -0.516 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.277 -2.989 -1.512 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.767 -2.660 0.167 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.004 -2.923 -1.085 1.00 10.83 H new ATOM 56 N PHE A 4 4.525 -6.964 2.569 1.00 4.55 N ATOM 57 CA PHE A 4 3.313 -7.558 3.029 1.00 4.68 C ATOM 58 C PHE A 4 2.361 -6.481 3.517 1.00 5.30 C ATOM 59 O PHE A 4 2.830 -5.514 4.157 1.00 5.58 O ATOM 60 CB PHE A 4 3.568 -8.328 4.337 1.00 4.83 C ATOM 61 CG PHE A 4 4.607 -9.413 4.127 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.356 -10.507 3.240 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.893 -9.398 4.804 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.280 -11.462 3.030 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.808 -10.373 4.601 1.00 10.61 C ATOM 66 CZ PHE A 4 6.488 -11.464 3.833 1.00 8.90 C ATOM 0 H PHE A 4 5.029 -6.417 3.267 1.00 4.55 H new ATOM 0 HA PHE A 4 2.936 -8.165 2.206 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.906 -7.639 5.111 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.638 -8.772 4.691 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.406 -10.567 2.729 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.123 -8.591 5.484 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.124 -12.217 2.274 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.790 -10.293 5.043 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.137 -12.327 3.826 1.00 8.90 H new ATOM 76 N VAL A 5 1.068 -6.597 3.181 1.00 4.44 N ATOM 77 CA VAL A 5 0.082 -5.596 3.449 1.00 3.87 C ATOM 78 C VAL A 5 -1.115 -6.138 4.320 1.00 4.93 C ATOM 79 O VAL A 5 -2.055 -6.720 3.841 1.00 6.84 O ATOM 80 CB VAL A 5 -0.368 -4.762 2.163 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.353 -3.612 2.606 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.886 -4.305 1.442 1.00 9.13 C ATOM 0 H VAL A 5 0.692 -7.417 2.705 1.00 4.44 H new ATOM 0 HA VAL A 5 0.581 -4.855 4.074 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.935 -5.357 1.448 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.662 -3.041 1.731 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.231 -4.048 3.083 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.848 -2.951 3.311 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.609 -3.732 0.557 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.481 -3.680 2.108 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.471 -5.175 1.142 1.00 9.13 H new ATOM 92 N LYS A 6 -1.097 -5.902 5.621 1.00 6.04 N ATOM 93 CA LYS A 6 -2.204 -6.323 6.520 1.00 6.12 C ATOM 94 C LYS A 6 -3.491 -5.471 6.465 1.00 6.57 C ATOM 95 O LYS A 6 -3.482 -4.313 6.781 1.00 5.76 O ATOM 96 CB LYS A 6 -1.683 -6.618 7.949 1.00 7.45 C ATOM 97 CG LYS A 6 -0.504 -7.574 7.905 1.00 11.12 C ATOM 98 CD LYS A 6 0.025 -7.954 9.343 1.00 14.54 C ATOM 99 CE LYS A 6 1.184 -8.890 9.320 1.00 18.84 C ATOM 100 NZ LYS A 6 1.636 -9.150 10.691 1.00 20.55 N ATOM 0 H LYS A 6 -0.334 -5.421 6.097 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.566 -7.265 6.108 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.385 -5.687 8.432 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.483 -7.048 8.552 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.797 -8.482 7.378 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.305 -7.121 7.333 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.314 -7.043 9.868 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.787 -8.407 9.912 1.00 14.54 H new ATOM 0 HE2 LYS A 6 0.899 -9.825 8.837 1.00 18.84 H new ATOM 0 HE3 LYS A 6 1.997 -8.463 8.733 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 2.445 -9.803 10.672 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 1.924 -8.256 11.137 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.860 -9.575 11.238 1.00 20.55 H new ATOM 114 N THR A 7 -4.571 -6.063 6.171 1.00 7.41 N ATOM 115 CA THR A 7 -5.840 -5.404 6.101 1.00 7.48 C ATOM 116 C THR A 7 -6.487 -5.383 7.440 1.00 8.75 C ATOM 117 O THR A 7 -5.950 -5.822 8.473 1.00 8.58 O ATOM 118 CB THR A 7 -6.647 -6.139 5.056 1.00 9.61 C ATOM 119 OG1 THR A 7 -6.965 -7.435 5.456 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.923 -6.296 3.690 1.00 9.17 C ATOM 0 H THR A 7 -4.618 -7.060 5.961 1.00 7.41 H new ATOM 0 HA THR A 7 -5.747 -4.357 5.812 1.00 7.48 H new ATOM 0 HB THR A 7 -7.532 -5.514 4.942 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.738 -7.754 4.946 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.569 -6.834 2.996 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.695 -5.311 3.284 1.00 9.17 H new ATOM 0 HG23 THR A 7 -4.997 -6.854 3.831 1.00 9.17 H new ATOM 128 N LEU A 8 -7.696 -4.885 7.421 1.00 9.84 N ATOM 129 CA LEU A 8 -8.667 -5.099 8.492 1.00 14.15 C ATOM 130 C LEU A 8 -9.667 -6.148 8.154 1.00 17.37 C ATOM 131 O LEU A 8 -10.718 -6.203 8.787 1.00 17.01 O ATOM 132 CB LEU A 8 -9.315 -3.708 8.868 1.00 16.63 C ATOM 133 CG LEU A 8 -8.277 -2.599 9.285 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.028 -1.312 9.626 1.00 19.31 C ATOM 135 CD2 LEU A 8 -7.458 -3.111 10.462 1.00 18.59 C ATOM 0 H LEU A 8 -8.050 -4.310 6.656 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.158 -5.492 9.372 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.891 -3.347 8.016 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.018 -3.858 9.688 1.00 16.63 H new ATOM 0 HG LEU A 8 -7.592 -2.377 8.467 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -8.315 -0.540 9.916 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.591 -0.977 8.755 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.715 -1.499 10.451 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -6.735 -2.352 10.760 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -8.121 -3.329 11.299 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -6.931 -4.019 10.171 1.00 18.59 H new ATOM 147 N THR A 9 -9.493 -6.948 7.052 1.00 18.33 N ATOM 148 CA THR A 9 -10.474 -7.808 6.486 1.00 19.24 C ATOM 149 C THR A 9 -10.163 -9.217 6.896 1.00 19.48 C ATOM 150 O THR A 9 -10.849 -10.165 6.417 1.00 23.14 O ATOM 151 CB THR A 9 -10.598 -7.702 4.965 1.00 18.97 C ATOM 152 OG1 THR A 9 -9.390 -7.664 4.356 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.335 -6.380 4.696 1.00 19.70 C ATOM 0 H THR A 9 -8.609 -6.979 6.544 1.00 18.33 H new ATOM 0 HA THR A 9 -11.444 -7.493 6.870 1.00 19.24 H new ATOM 0 HB THR A 9 -11.123 -8.573 4.572 1.00 18.97 H new ATOM 0 HG1 THR A 9 -9.515 -7.598 3.386 1.00 20.24 H new ATOM 0 HG21 THR A 9 -11.456 -6.243 3.621 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.315 -6.407 5.172 1.00 19.70 H new ATOM 0 HG23 THR A 9 -10.756 -5.551 5.104 1.00 19.70 H new ATOM 161 N GLY A 10 -9.122 -9.556 7.665 1.00 19.43 N ATOM 162 CA GLY A 10 -8.845 -11.025 7.793 1.00 18.74 C ATOM 163 C GLY A 10 -7.922 -11.499 6.695 1.00 17.62 C ATOM 164 O GLY A 10 -8.126 -12.551 6.104 1.00 19.74 O ATOM 0 H GLY A 10 -8.502 -8.922 8.169 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -8.396 -11.231 8.765 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -9.782 -11.581 7.751 1.00 18.74 H new ATOM 168 N LYS A 11 -6.918 -10.666 6.281 1.00 13.56 N ATOM 169 CA LYS A 11 -6.093 -10.914 5.144 1.00 11.91 C ATOM 170 C LYS A 11 -4.698 -10.287 5.331 1.00 10.18 C ATOM 171 O LYS A 11 -4.443 -9.256 5.985 1.00 9.10 O ATOM 172 CB LYS A 11 -6.723 -10.457 3.782 1.00 13.43 C ATOM 173 CG LYS A 11 -6.634 -11.502 2.681 1.00 16.69 C ATOM 174 CD LYS A 11 -5.356 -11.388 1.781 1.00 17.92 C ATOM 175 CE LYS A 11 -5.195 -12.392 0.682 1.00 20.81 C ATOM 176 NZ LYS A 11 -6.289 -12.281 -0.259 1.00 21.93 N ATOM 0 H LYS A 11 -6.688 -9.798 6.764 1.00 13.56 H new ATOM 0 HA LYS A 11 -6.000 -11.998 5.082 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.770 -10.203 3.944 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.223 -9.548 3.448 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -6.657 -12.493 3.135 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -7.518 -11.421 2.048 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -5.347 -10.394 1.333 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -4.481 -11.454 2.428 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -4.247 -12.232 0.169 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -5.166 -13.398 1.100 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -5.922 -12.359 -1.229 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -6.974 -13.044 -0.086 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -6.758 -11.361 -0.139 1.00 21.93 H new ATOM 190 N THR A 12 -3.717 -10.948 4.774 1.00 9.63 N ATOM 191 CA THR A 12 -2.398 -10.317 4.603 1.00 9.85 C ATOM 192 C THR A 12 -2.103 -10.480 3.126 1.00 11.66 C ATOM 193 O THR A 12 -2.028 -11.608 2.629 1.00 12.33 O ATOM 194 CB THR A 12 -1.222 -10.978 5.384 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.416 -10.841 6.781 1.00 10.91 O ATOM 196 CG2 THR A 12 0.162 -10.403 5.064 1.00 9.63 C ATOM 0 H THR A 12 -3.785 -11.906 4.431 1.00 9.63 H new ATOM 0 HA THR A 12 -2.454 -9.297 4.983 1.00 9.85 H new ATOM 0 HB THR A 12 -1.236 -12.020 5.063 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.671 -11.262 7.258 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.917 -10.923 5.653 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.375 -10.535 4.003 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.180 -9.341 5.308 1.00 9.63 H new ATOM 204 N ILE A 13 -1.877 -9.360 2.340 1.00 10.42 N ATOM 205 CA ILE A 13 -1.462 -9.405 0.965 1.00 11.84 C ATOM 206 C ILE A 13 0.017 -9.580 0.910 1.00 10.55 C ATOM 207 O ILE A 13 0.705 -9.017 1.726 1.00 11.92 O ATOM 208 CB ILE A 13 -1.863 -8.115 0.145 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.184 -7.557 0.758 1.00 14.87 C ATOM 210 CG2 ILE A 13 -1.922 -8.319 -1.432 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.539 -6.125 0.314 1.00 16.46 C ATOM 0 H ILE A 13 -1.993 -8.410 2.692 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.980 -10.246 0.503 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.068 -7.375 0.245 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.004 -8.222 0.487 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.102 -7.577 1.845 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.205 -7.381 -1.910 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.943 -8.630 -1.795 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.659 -9.086 -1.672 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -4.471 -5.818 0.788 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.741 -5.444 0.609 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -3.657 -6.099 -0.769 1.00 16.46 H new ATOM 223 N THR A 14 0.571 -10.357 -0.008 1.00 9.39 N ATOM 224 CA THR A 14 2.010 -10.437 -0.321 1.00 9.63 C ATOM 225 C THR A 14 2.222 -9.918 -1.703 1.00 11.20 C ATOM 226 O THR A 14 1.570 -10.446 -2.610 1.00 11.63 O ATOM 227 CB THR A 14 2.670 -11.802 -0.305 1.00 10.38 C ATOM 228 OG1 THR A 14 2.405 -12.494 0.897 1.00 16.30 O ATOM 229 CG2 THR A 14 4.204 -11.705 -0.437 1.00 11.66 C ATOM 0 H THR A 14 0.013 -10.983 -0.589 1.00 9.39 H new ATOM 0 HA THR A 14 2.467 -9.865 0.487 1.00 9.63 H new ATOM 0 HB THR A 14 2.251 -12.336 -1.158 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.844 -13.370 0.874 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.635 -12.706 -0.421 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.458 -11.216 -1.377 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.605 -11.124 0.394 1.00 11.66 H new ATOM 237 N LEU A 15 3.025 -8.851 -1.867 1.00 8.29 N ATOM 238 CA LEU A 15 3.158 -8.297 -3.175 1.00 9.03 C ATOM 239 C LEU A 15 4.567 -8.234 -3.676 1.00 8.59 C ATOM 240 O LEU A 15 5.526 -8.056 -2.929 1.00 7.79 O ATOM 241 CB LEU A 15 2.774 -6.787 -3.079 1.00 11.08 C ATOM 242 CG LEU A 15 1.294 -6.588 -2.846 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.966 -5.194 -2.271 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.488 -6.936 -4.053 1.00 15.27 C ATOM 0 H LEU A 15 3.559 -8.390 -1.130 1.00 8.29 H new ATOM 0 HA LEU A 15 2.549 -8.925 -3.826 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.334 -6.322 -2.267 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.067 -6.280 -3.999 1.00 11.08 H new ATOM 0 HG LEU A 15 0.997 -7.295 -2.071 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.110 -5.105 -2.123 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.475 -5.065 -1.316 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.301 -4.425 -2.967 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.570 -6.779 -3.842 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.790 -6.303 -4.887 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.654 -7.981 -4.313 1.00 15.27 H new ATOM 256 N GLU A 16 4.733 -8.414 -5.012 1.00 11.04 N ATOM 257 CA GLU A 16 6.013 -8.238 -5.702 1.00 11.50 C ATOM 258 C GLU A 16 6.180 -6.921 -6.365 1.00 10.13 C ATOM 259 O GLU A 16 5.475 -6.591 -7.297 1.00 9.83 O ATOM 260 CB GLU A 16 6.108 -9.435 -6.680 1.00 17.22 C ATOM 261 CG GLU A 16 7.484 -9.604 -7.402 1.00 23.33 C ATOM 262 CD GLU A 16 8.672 -9.593 -6.459 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.671 -10.404 -5.513 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.720 -8.892 -6.709 1.00 28.90 O ATOM 0 H GLU A 16 3.971 -8.687 -5.633 1.00 11.04 H new ATOM 0 HA GLU A 16 6.836 -8.231 -4.988 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.891 -10.350 -6.129 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.331 -9.327 -7.437 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.480 -10.542 -7.957 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.603 -8.803 -8.131 1.00 23.33 H new ATOM 271 N VAL A 17 7.159 -6.121 -5.791 1.00 8.99 N ATOM 272 CA VAL A 17 7.333 -4.722 -6.030 1.00 8.85 C ATOM 273 C VAL A 17 8.829 -4.454 -6.221 1.00 8.04 C ATOM 274 O VAL A 17 9.720 -5.191 -5.786 1.00 8.99 O ATOM 275 CB VAL A 17 6.844 -3.904 -4.858 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.299 -3.991 -4.970 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.304 -4.393 -3.494 1.00 10.54 C ATOM 0 H VAL A 17 7.845 -6.494 -5.135 1.00 8.99 H new ATOM 0 HA VAL A 17 6.760 -4.439 -6.913 1.00 8.85 H new ATOM 0 HB VAL A 17 7.250 -2.894 -4.912 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.843 -3.425 -4.158 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.980 -3.576 -5.926 1.00 12.05 H new ATOM 0 HG13 VAL A 17 4.988 -5.034 -4.905 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.901 -3.741 -2.719 1.00 10.54 H new ATOM 0 HG22 VAL A 17 6.948 -5.411 -3.333 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.393 -4.379 -3.451 1.00 10.54 H new ATOM 287 N GLU A 18 9.168 -3.360 -6.833 1.00 7.29 N ATOM 288 CA GLU A 18 10.490 -2.807 -6.792 1.00 7.08 C ATOM 289 C GLU A 18 10.548 -1.514 -5.967 1.00 6.45 C ATOM 290 O GLU A 18 9.520 -0.871 -5.768 1.00 5.28 O ATOM 291 CB GLU A 18 11.075 -2.503 -8.201 1.00 10.28 C ATOM 292 CG GLU A 18 11.093 -3.744 -9.121 1.00 12.65 C ATOM 293 CD GLU A 18 12.075 -4.771 -8.611 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.105 -4.512 -7.944 1.00 14.33 O ATOM 295 OE2 GLU A 18 11.822 -6.008 -8.851 1.00 18.17 O ATOM 0 H GLU A 18 8.514 -2.811 -7.391 1.00 7.29 H new ATOM 0 HA GLU A 18 11.094 -3.582 -6.320 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.486 -1.716 -8.672 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.090 -2.121 -8.093 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.095 -4.181 -9.171 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.362 -3.448 -10.135 1.00 12.65 H new ATOM 302 N PRO A 19 11.719 -1.021 -5.358 1.00 7.24 N ATOM 303 CA PRO A 19 11.799 0.130 -4.449 1.00 7.07 C ATOM 304 C PRO A 19 11.406 1.472 -5.199 1.00 6.65 C ATOM 305 O PRO A 19 11.060 2.526 -4.610 1.00 6.37 O ATOM 306 CB PRO A 19 13.192 0.262 -4.049 1.00 7.61 C ATOM 307 CG PRO A 19 13.951 -0.989 -4.570 1.00 8.16 C ATOM 308 CD PRO A 19 13.017 -1.653 -5.537 1.00 7.49 C ATOM 0 HA PRO A 19 11.124 -0.027 -3.608 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.625 1.173 -4.464 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.274 0.335 -2.965 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.884 -0.707 -5.057 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.209 -1.660 -3.751 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.369 -1.532 -6.561 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.957 -2.724 -5.345 1.00 7.49 H new ATOM 316 N SER A 20 11.555 1.403 -6.533 1.00 6.80 N ATOM 317 CA SER A 20 11.250 2.575 -7.358 1.00 6.28 C ATOM 318 C SER A 20 9.774 2.651 -7.730 1.00 8.45 C ATOM 319 O SER A 20 9.362 3.656 -8.348 1.00 7.26 O ATOM 320 CB SER A 20 12.096 2.468 -8.606 1.00 8.57 C ATOM 321 OG SER A 20 11.947 1.273 -9.292 1.00 11.13 O ATOM 0 H SER A 20 11.873 0.579 -7.044 1.00 6.80 H new ATOM 0 HA SER A 20 11.472 3.483 -6.797 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.844 3.292 -9.274 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.144 2.589 -8.332 1.00 8.57 H new ATOM 0 HG SER A 20 12.522 1.278 -10.086 1.00 11.13 H new ATOM 327 N ASP A 21 8.850 1.654 -7.342 1.00 7.50 N ATOM 328 CA ASP A 21 7.445 1.746 -7.558 1.00 7.70 C ATOM 329 C ASP A 21 6.765 2.737 -6.574 1.00 7.08 C ATOM 330 O ASP A 21 7.061 2.843 -5.394 1.00 8.11 O ATOM 331 CB ASP A 21 6.769 0.387 -7.375 1.00 11.00 C ATOM 332 CG ASP A 21 7.060 -0.463 -8.602 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.056 0.016 -9.773 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.209 -1.703 -8.403 1.00 14.36 O ATOM 0 H ASP A 21 9.131 0.792 -6.876 1.00 7.50 H new ATOM 0 HA ASP A 21 7.325 2.103 -8.581 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.142 -0.104 -6.476 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.694 0.512 -7.247 1.00 11.00 H new ATOM 339 N THR A 22 5.781 3.453 -7.127 1.00 5.37 N ATOM 340 CA THR A 22 5.106 4.480 -6.311 1.00 6.01 C ATOM 341 C THR A 22 3.870 3.914 -5.570 1.00 8.01 C ATOM 342 O THR A 22 3.410 2.840 -5.845 1.00 8.11 O ATOM 343 CB THR A 22 4.681 5.705 -7.150 1.00 8.92 C ATOM 344 OG1 THR A 22 3.935 5.340 -8.264 1.00 10.22 O ATOM 345 CG2 THR A 22 5.970 6.474 -7.593 1.00 9.65 C ATOM 0 H THR A 22 5.444 3.354 -8.084 1.00 5.37 H new ATOM 0 HA THR A 22 5.842 4.801 -5.573 1.00 6.01 H new ATOM 0 HB THR A 22 4.045 6.344 -6.537 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.684 6.143 -8.767 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.689 7.343 -8.187 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.520 6.800 -6.711 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.600 5.815 -8.190 1.00 9.65 H new ATOM 353 N ILE A 23 3.336 4.609 -4.551 1.00 8.32 N ATOM 354 CA ILE A 23 2.224 4.131 -3.712 1.00 9.92 C ATOM 355 C ILE A 23 0.996 3.971 -4.568 1.00 10.01 C ATOM 356 O ILE A 23 0.194 3.029 -4.404 1.00 8.71 O ATOM 357 CB ILE A 23 2.028 5.087 -2.554 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.294 5.217 -1.731 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.813 4.533 -1.690 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.744 3.945 -1.061 1.00 12.30 C ATOM 0 H ILE A 23 3.671 5.534 -4.283 1.00 8.32 H new ATOM 0 HA ILE A 23 2.443 3.154 -3.282 1.00 9.92 H new ATOM 0 HB ILE A 23 1.803 6.090 -2.915 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.096 5.574 -2.377 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.137 5.978 -0.967 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.638 5.195 -0.842 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.084 4.490 -2.308 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.051 3.533 -1.326 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.656 4.135 -0.495 1.00 12.30 H new ATOM 0 HD12 ILE A 23 2.964 3.594 -0.385 1.00 12.30 H new ATOM 0 HD13 ILE A 23 3.938 3.184 -1.817 1.00 12.30 H new ATOM 372 N GLU A 24 0.899 4.818 -5.621 1.00 9.54 N ATOM 373 CA GLU A 24 -0.060 4.761 -6.626 1.00 11.81 C ATOM 374 C GLU A 24 -0.089 3.428 -7.461 1.00 11.14 C ATOM 375 O GLU A 24 -1.122 2.895 -7.825 1.00 10.62 O ATOM 376 CB GLU A 24 0.133 5.944 -7.638 1.00 19.24 C ATOM 377 CG GLU A 24 -1.081 6.051 -8.556 1.00 27.76 C ATOM 378 CD GLU A 24 -0.950 7.185 -9.575 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.058 7.917 -9.499 1.00 34.80 O ATOM 380 OE2 GLU A 24 -1.791 7.270 -10.557 1.00 36.51 O ATOM 0 H GLU A 24 1.554 5.589 -5.752 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.005 4.823 -6.087 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.272 6.879 -7.095 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.034 5.783 -8.230 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.217 5.107 -9.084 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.975 6.211 -7.953 1.00 27.76 H new ATOM 387 N ASN A 25 1.116 2.855 -7.690 1.00 9.43 N ATOM 388 CA ASN A 25 1.372 1.610 -8.400 1.00 10.96 C ATOM 389 C ASN A 25 1.196 0.414 -7.513 1.00 9.68 C ATOM 390 O ASN A 25 0.760 -0.622 -8.036 1.00 9.33 O ATOM 391 CB ASN A 25 2.846 1.541 -8.910 1.00 16.78 C ATOM 392 CG ASN A 25 3.228 2.639 -9.932 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.416 2.924 -9.977 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.230 3.157 -10.778 1.00 24.70 N ATOM 0 H ASN A 25 1.978 3.287 -7.358 1.00 9.43 H new ATOM 0 HA ASN A 25 0.659 1.595 -9.224 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.516 1.612 -8.053 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.013 0.565 -9.366 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.476 3.830 -11.504 1.00 24.70 H new ATOM 0 HD22 ASN A 25 1.261 2.859 -10.665 1.00 24.70 H new ATOM 401 N VAL A 26 1.466 0.555 -6.209 1.00 6.52 N ATOM 402 CA VAL A 26 1.235 -0.453 -5.202 1.00 5.53 C ATOM 403 C VAL A 26 -0.205 -0.837 -5.183 1.00 4.42 C ATOM 404 O VAL A 26 -0.621 -1.998 -5.205 1.00 3.40 O ATOM 405 CB VAL A 26 1.680 -0.038 -3.829 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.278 -1.158 -2.841 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.184 0.113 -3.844 1.00 8.12 C ATOM 0 H VAL A 26 1.866 1.412 -5.826 1.00 6.52 H new ATOM 0 HA VAL A 26 1.846 -1.313 -5.477 1.00 5.53 H new ATOM 0 HB VAL A 26 1.221 0.904 -3.530 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.589 -0.883 -1.833 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.196 -1.291 -2.863 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.764 -2.090 -3.130 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.529 0.414 -2.855 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.643 -0.838 -4.114 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.466 0.872 -4.574 1.00 8.12 H new ATOM 417 N LYS A 27 -1.155 0.151 -5.179 1.00 2.64 N ATOM 418 CA LYS A 27 -2.589 -0.014 -5.224 1.00 4.14 C ATOM 419 C LYS A 27 -3.092 -0.742 -6.448 1.00 5.58 C ATOM 420 O LYS A 27 -3.964 -1.631 -6.370 1.00 4.11 O ATOM 421 CB LYS A 27 -3.307 1.362 -5.360 1.00 3.97 C ATOM 422 CG LYS A 27 -3.072 2.301 -4.142 1.00 7.45 C ATOM 423 CD LYS A 27 -3.950 3.523 -4.272 1.00 9.02 C ATOM 424 CE LYS A 27 -3.698 4.517 -3.161 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.663 5.592 -3.262 1.00 15.47 N ATOM 0 H LYS A 27 -0.890 1.135 -5.141 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.800 -0.561 -4.305 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.958 1.858 -6.265 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.377 1.195 -5.480 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.298 1.775 -3.215 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -2.024 2.596 -4.094 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.768 4.000 -5.235 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.997 3.221 -4.259 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.781 4.027 -2.191 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.685 4.913 -3.232 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -4.199 6.440 -3.646 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -5.437 5.305 -3.894 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -5.046 5.804 -2.319 1.00 15.47 H new ATOM 439 N ALA A 28 -2.493 -0.530 -7.603 1.00 6.61 N ATOM 440 CA ALA A 28 -2.833 -1.311 -8.790 1.00 7.74 C ATOM 441 C ALA A 28 -2.706 -2.770 -8.634 1.00 9.17 C ATOM 442 O ALA A 28 -3.592 -3.580 -8.936 1.00 11.45 O ATOM 443 CB ALA A 28 -2.039 -0.720 -9.999 1.00 7.68 C ATOM 0 H ALA A 28 -1.769 0.173 -7.751 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.902 -1.210 -8.977 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.275 -1.286 -10.900 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.318 0.324 -10.142 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.970 -0.785 -9.799 1.00 7.68 H new ATOM 449 N LYS A 29 -1.578 -3.186 -8.062 1.00 8.96 N ATOM 450 CA LYS A 29 -1.266 -4.553 -7.676 1.00 7.90 C ATOM 451 C LYS A 29 -2.273 -5.095 -6.663 1.00 6.92 C ATOM 452 O LYS A 29 -2.811 -6.173 -6.801 1.00 6.87 O ATOM 453 CB LYS A 29 0.202 -4.783 -7.251 1.00 10.28 C ATOM 454 CG LYS A 29 1.192 -4.142 -8.275 1.00 14.94 C ATOM 455 CD LYS A 29 2.699 -4.493 -8.061 1.00 19.69 C ATOM 456 CE LYS A 29 3.755 -3.512 -8.644 1.00 22.63 C ATOM 457 NZ LYS A 29 3.622 -3.497 -10.122 1.00 24.98 N ATOM 0 H LYS A 29 -0.819 -2.540 -7.845 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.369 -5.144 -8.586 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.369 -4.355 -6.263 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.398 -5.852 -7.172 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.903 -4.455 -9.278 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.080 -3.059 -8.234 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.875 -4.578 -6.989 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.880 -5.477 -8.493 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.605 -2.511 -8.240 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.760 -3.824 -8.358 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.323 -2.844 -10.527 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 3.784 -4.454 -10.495 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.665 -3.182 -10.381 1.00 24.98 H new ATOM 471 N ILE A 30 -2.624 -4.294 -5.663 1.00 4.57 N ATOM 472 CA ILE A 30 -3.725 -4.558 -4.733 1.00 5.58 C ATOM 473 C ILE A 30 -5.101 -4.732 -5.399 1.00 7.26 C ATOM 474 O ILE A 30 -5.900 -5.602 -5.053 1.00 9.46 O ATOM 475 CB ILE A 30 -3.704 -3.535 -3.691 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.434 -3.674 -2.712 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.947 -3.694 -2.729 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.399 -2.706 -1.534 1.00 2.00 C ATOM 0 H ILE A 30 -2.139 -3.418 -5.468 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.561 -5.537 -4.282 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.691 -2.587 -4.229 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.408 -4.692 -2.323 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.527 -3.534 -3.301 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.913 -2.922 -1.960 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.867 -3.593 -3.304 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.920 -4.677 -2.259 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.503 -2.887 -0.941 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.388 -1.681 -1.905 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.282 -2.857 -0.913 1.00 2.00 H new ATOM 490 N GLN A 31 -5.476 -4.009 -6.484 1.00 7.06 N ATOM 491 CA GLN A 31 -6.662 -4.238 -7.358 1.00 8.67 C ATOM 492 C GLN A 31 -6.601 -5.617 -8.100 1.00 10.90 C ATOM 493 O GLN A 31 -7.628 -6.259 -8.254 1.00 9.63 O ATOM 494 CB GLN A 31 -6.720 -3.173 -8.387 1.00 9.12 C ATOM 495 CG GLN A 31 -8.051 -3.210 -9.257 1.00 10.76 C ATOM 496 CD GLN A 31 -8.329 -1.941 -10.134 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.462 -1.459 -10.897 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.566 -1.389 -10.086 1.00 14.76 N ATOM 0 H GLN A 31 -4.930 -3.204 -6.793 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.542 -4.229 -6.715 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.640 -2.202 -7.899 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.859 -3.269 -9.049 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.010 -4.080 -9.913 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.897 -3.357 -8.586 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.275 -1.779 -9.465 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.788 -0.583 -10.671 1.00 14.76 H new ATOM 507 N ASP A 32 -5.448 -6.102 -8.531 1.00 10.93 N ATOM 508 CA ASP A 32 -5.307 -7.436 -9.157 1.00 14.01 C ATOM 509 C ASP A 32 -5.562 -8.468 -8.042 1.00 14.04 C ATOM 510 O ASP A 32 -6.400 -9.387 -8.174 1.00 13.39 O ATOM 511 CB ASP A 32 -3.841 -7.564 -9.736 1.00 18.01 C ATOM 512 CG ASP A 32 -3.726 -8.634 -10.815 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.739 -9.279 -11.161 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.597 -8.790 -11.309 1.00 25.17 O ATOM 0 H ASP A 32 -4.569 -5.589 -8.463 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.007 -7.594 -9.977 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.533 -6.603 -10.148 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.153 -7.798 -8.924 1.00 18.01 H new ATOM 519 N LYS A 33 -4.826 -8.475 -6.885 1.00 14.22 N ATOM 520 CA LYS A 33 -4.830 -9.519 -5.843 1.00 14.00 C ATOM 521 C LYS A 33 -6.226 -9.480 -5.171 1.00 12.37 C ATOM 522 O LYS A 33 -6.820 -10.571 -4.978 1.00 12.17 O ATOM 523 CB LYS A 33 -3.740 -9.423 -4.813 1.00 18.62 C ATOM 524 CG LYS A 33 -2.306 -9.560 -5.348 1.00 24.00 C ATOM 525 CD LYS A 33 -1.995 -10.982 -5.668 1.00 27.61 C ATOM 526 CE LYS A 33 -0.509 -11.120 -6.108 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.311 -12.499 -6.475 1.00 30.06 N ATOM 0 H LYS A 33 -4.189 -7.711 -6.657 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.624 -10.469 -6.335 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -3.829 -8.463 -4.305 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -3.904 -10.197 -4.063 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.186 -8.947 -6.241 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -1.599 -9.186 -4.607 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.184 -11.608 -4.796 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.652 -11.336 -6.463 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.292 -10.461 -6.949 1.00 27.64 H new ATOM 0 HE3 LYS A 33 0.162 -10.835 -5.298 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.674 -12.640 -6.778 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.512 -13.108 -5.657 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.952 -12.746 -7.256 1.00 30.06 H new ATOM 541 N GLU A 34 -6.737 -8.230 -4.880 1.00 10.11 N ATOM 542 CA GLU A 34 -7.819 -8.141 -3.832 1.00 10.07 C ATOM 543 C GLU A 34 -9.125 -7.538 -4.371 1.00 9.32 C ATOM 544 O GLU A 34 -10.144 -7.458 -3.706 1.00 11.61 O ATOM 545 CB GLU A 34 -7.429 -7.335 -2.552 1.00 14.77 C ATOM 546 CG GLU A 34 -6.166 -7.908 -1.809 1.00 18.75 C ATOM 547 CD GLU A 34 -6.268 -9.359 -1.511 1.00 22.28 C ATOM 548 OE1 GLU A 34 -7.282 -9.822 -0.890 1.00 21.95 O ATOM 549 OE2 GLU A 34 -5.279 -10.077 -1.776 1.00 25.19 O ATOM 0 H GLU A 34 -6.451 -7.350 -5.310 1.00 10.11 H new ATOM 0 HA GLU A 34 -7.962 -9.185 -3.554 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.238 -6.298 -2.829 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.274 -7.330 -1.864 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.282 -7.731 -2.421 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.023 -7.362 -0.877 1.00 18.75 H new ATOM 556 N GLY A 35 -9.071 -7.026 -5.642 1.00 7.22 N ATOM 557 CA GLY A 35 -10.230 -6.456 -6.347 1.00 6.29 C ATOM 558 C GLY A 35 -10.519 -5.076 -5.877 1.00 6.93 C ATOM 559 O GLY A 35 -11.427 -4.434 -6.332 1.00 7.41 O ATOM 0 H GLY A 35 -8.213 -7.005 -6.193 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.037 -6.445 -7.420 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.103 -7.088 -6.187 1.00 6.29 H new ATOM 563 N ILE A 36 -9.704 -4.536 -4.943 1.00 5.86 N ATOM 564 CA ILE A 36 -9.995 -3.272 -4.337 1.00 6.07 C ATOM 565 C ILE A 36 -9.766 -2.121 -5.316 1.00 6.36 C ATOM 566 O ILE A 36 -8.705 -2.048 -5.947 1.00 6.18 O ATOM 567 CB ILE A 36 -9.150 -3.080 -3.046 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.404 -4.273 -2.139 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.516 -1.820 -2.324 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.473 -4.385 -0.886 1.00 9.49 C ATOM 0 H ILE A 36 -8.846 -4.977 -4.611 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.050 -3.265 -4.062 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.098 -3.006 -3.320 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.438 -4.232 -1.797 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.299 -5.183 -2.729 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -8.903 -1.723 -1.428 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.343 -0.964 -2.976 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.568 -1.855 -2.042 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.742 -5.271 -0.311 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.435 -4.464 -1.210 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.592 -3.498 -0.264 1.00 9.49 H new ATOM 582 N PRO A 37 -10.699 -1.231 -5.672 1.00 8.65 N ATOM 583 CA PRO A 37 -10.352 -0.039 -6.421 1.00 9.18 C ATOM 584 C PRO A 37 -9.311 0.873 -5.781 1.00 9.85 C ATOM 585 O PRO A 37 -9.452 1.095 -4.561 1.00 8.51 O ATOM 586 CB PRO A 37 -11.694 0.703 -6.520 1.00 11.42 C ATOM 587 CG PRO A 37 -12.789 -0.316 -6.198 1.00 9.27 C ATOM 588 CD PRO A 37 -12.118 -1.324 -5.312 1.00 8.33 C ATOM 0 HA PRO A 37 -9.886 -0.319 -7.366 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.726 1.538 -5.821 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.834 1.118 -7.518 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.633 0.155 -5.694 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.177 -0.781 -7.104 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.277 -1.096 -4.258 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.508 -2.327 -5.484 1.00 8.33 H new ATOM 596 N PRO A 38 -8.242 1.384 -6.458 1.00 8.71 N ATOM 597 CA PRO A 38 -7.292 2.324 -5.856 1.00 9.08 C ATOM 598 C PRO A 38 -7.803 3.512 -5.134 1.00 9.28 C ATOM 599 O PRO A 38 -7.113 3.986 -4.274 1.00 6.50 O ATOM 600 CB PRO A 38 -6.436 2.679 -7.074 1.00 10.31 C ATOM 601 CG PRO A 38 -6.479 1.501 -7.982 1.00 10.81 C ATOM 602 CD PRO A 38 -7.785 0.809 -7.712 1.00 12.00 C ATOM 0 HA PRO A 38 -6.782 1.862 -5.011 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.822 3.567 -7.573 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.411 2.901 -6.776 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.411 1.811 -9.025 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.639 0.833 -7.793 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.501 0.984 -8.515 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.654 -0.270 -7.631 1.00 12.00 H new ATOM 610 N ASP A 39 -8.981 4.067 -5.491 1.00 11.20 N ATOM 611 CA ASP A 39 -9.545 5.309 -4.875 1.00 14.96 C ATOM 612 C ASP A 39 -10.108 5.053 -3.453 1.00 13.99 C ATOM 613 O ASP A 39 -10.293 5.996 -2.676 1.00 13.75 O ATOM 614 CB ASP A 39 -10.694 5.893 -5.687 1.00 24.16 C ATOM 615 CG ASP A 39 -10.324 6.452 -7.087 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.442 7.308 -7.186 1.00 35.55 O ATOM 617 OD2 ASP A 39 -10.892 5.952 -8.057 1.00 34.22 O ATOM 0 H ASP A 39 -9.578 3.672 -6.217 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.705 6.003 -4.844 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.452 5.120 -5.815 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.152 6.695 -5.107 1.00 24.16 H new ATOM 622 N GLN A 40 -10.322 3.801 -3.117 1.00 11.60 N ATOM 623 CA GLN A 40 -10.676 3.418 -1.742 1.00 10.76 C ATOM 624 C GLN A 40 -9.532 3.316 -0.826 1.00 8.01 C ATOM 625 O GLN A 40 -9.720 3.307 0.354 1.00 8.96 O ATOM 626 CB GLN A 40 -11.409 2.089 -1.789 1.00 11.14 C ATOM 627 CG GLN A 40 -12.749 2.363 -2.434 1.00 14.85 C ATOM 628 CD GLN A 40 -13.713 1.313 -1.919 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.345 0.452 -2.541 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.014 1.379 -0.608 1.00 18.16 N ATOM 0 H GLN A 40 -10.260 3.019 -3.769 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.302 4.216 -1.343 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -10.845 1.354 -2.363 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.537 1.680 -0.787 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.100 3.364 -2.184 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.671 2.315 -3.520 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -13.544 2.059 -0.010 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.712 0.749 -0.213 1.00 18.16 H new ATOM 639 N GLN A 41 -8.285 3.202 -1.412 1.00 6.52 N ATOM 640 CA GLN A 41 -7.108 2.777 -0.662 1.00 3.87 C ATOM 641 C GLN A 41 -6.319 3.926 -0.016 1.00 4.79 C ATOM 642 O GLN A 41 -5.974 4.894 -0.631 1.00 6.34 O ATOM 643 CB GLN A 41 -6.151 1.871 -1.520 1.00 4.20 C ATOM 644 CG GLN A 41 -6.896 0.779 -2.234 1.00 3.20 C ATOM 645 CD GLN A 41 -5.832 -0.121 -2.828 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.851 -0.373 -2.121 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.025 -0.637 -4.076 1.00 7.13 N ATOM 0 H GLN A 41 -8.102 3.404 -2.395 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.512 2.183 0.158 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.626 2.488 -2.249 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.394 1.429 -0.872 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.536 0.227 -1.546 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.541 1.188 -3.011 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -6.859 -0.387 -4.608 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.335 -1.272 -4.477 1.00 7.13 H new ATOM 656 N ARG A 42 -5.988 3.799 1.273 1.00 5.73 N ATOM 657 CA ARG A 42 -5.079 4.671 1.977 1.00 6.97 C ATOM 658 C ARG A 42 -4.049 3.702 2.631 1.00 7.15 C ATOM 659 O ARG A 42 -4.431 2.735 3.306 1.00 7.33 O ATOM 660 CB ARG A 42 -5.667 5.434 3.202 1.00 13.23 C ATOM 661 CG ARG A 42 -6.419 6.720 2.741 1.00 21.27 C ATOM 662 CD ARG A 42 -7.236 7.300 3.909 1.00 26.14 C ATOM 663 NE ARG A 42 -7.718 8.709 3.561 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.610 9.419 4.292 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.185 8.903 5.406 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.903 10.611 3.984 1.00 36.39 N ATOM 0 H ARG A 42 -6.365 3.057 1.863 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.731 5.411 1.256 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.350 4.783 3.748 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.864 5.703 3.889 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.704 7.461 2.384 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.079 6.485 1.906 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.090 6.657 4.121 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.626 7.328 4.812 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.341 9.145 2.719 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.949 7.959 5.711 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.854 9.459 5.939 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.465 11.051 3.175 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.577 11.132 4.545 1.00 36.39 H new ATOM 680 N LEU A 43 -2.755 3.897 2.368 1.00 4.65 N ATOM 681 CA LEU A 43 -1.671 2.952 2.726 1.00 3.51 C ATOM 682 C LEU A 43 -0.933 3.520 3.959 1.00 5.56 C ATOM 683 O LEU A 43 -0.554 4.682 4.026 1.00 4.19 O ATOM 684 CB LEU A 43 -0.733 2.608 1.570 1.00 3.74 C ATOM 685 CG LEU A 43 -1.415 1.631 0.562 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.783 1.623 -0.910 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.335 0.230 1.288 1.00 6.41 C ATOM 0 H LEU A 43 -2.414 4.731 1.890 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.116 1.988 2.973 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.439 3.521 1.053 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.178 2.155 1.960 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.438 1.939 0.346 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.325 0.913 -1.535 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.859 2.620 -1.344 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.265 1.330 -0.854 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.791 -0.533 0.657 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.291 -0.026 1.470 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -1.867 0.282 2.238 1.00 6.41 H new ATOM 699 N ILE A 44 -0.849 2.612 4.954 1.00 4.58 N ATOM 700 CA ILE A 44 -0.452 2.823 6.311 1.00 5.55 C ATOM 701 C ILE A 44 0.813 2.024 6.614 1.00 5.46 C ATOM 702 O ILE A 44 1.011 0.904 6.105 1.00 6.04 O ATOM 703 CB ILE A 44 -1.600 2.289 7.218 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.913 3.135 7.004 1.00 10.31 C ATOM 705 CG2 ILE A 44 -1.192 2.318 8.712 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.773 4.635 7.371 1.00 13.90 C ATOM 0 H ILE A 44 -1.084 1.634 4.785 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.258 3.881 6.487 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.793 1.254 6.934 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.216 3.055 5.960 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.713 2.700 7.603 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -2.013 1.940 9.321 1.00 7.39 H new ATOM 0 HG22 ILE A 44 -0.312 1.693 8.861 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.964 3.342 9.007 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.721 5.143 7.194 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.502 4.729 8.423 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -1.997 5.090 6.755 1.00 13.90 H new ATOM 718 N PHE A 45 1.693 2.576 7.390 1.00 6.75 N ATOM 719 CA PHE A 45 3.065 2.034 7.587 1.00 4.70 C ATOM 720 C PHE A 45 3.507 2.511 9.001 1.00 6.34 C ATOM 721 O PHE A 45 4.374 3.391 9.127 1.00 5.45 O ATOM 722 CB PHE A 45 4.022 2.597 6.506 1.00 5.51 C ATOM 723 CG PHE A 45 5.355 1.899 6.553 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.588 0.554 6.960 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.489 2.729 6.273 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.917 -0.024 6.968 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.808 2.176 6.342 1.00 6.64 C ATOM 728 CZ PHE A 45 7.936 0.858 6.686 1.00 6.84 C ATOM 0 H PHE A 45 1.509 3.425 7.924 1.00 6.75 H new ATOM 0 HA PHE A 45 3.086 0.947 7.504 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.576 2.472 5.519 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.162 3.667 6.660 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.750 -0.052 7.272 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.349 3.767 6.011 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.095 -1.068 7.179 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.676 2.782 6.129 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.942 0.469 6.742 1.00 6.84 H new ATOM 738 N ALA A 46 2.967 1.893 10.070 1.00 6.53 N ATOM 739 CA ALA A 46 3.180 2.145 11.462 1.00 7.15 C ATOM 740 C ALA A 46 2.930 3.576 11.884 1.00 9.00 C ATOM 741 O ALA A 46 3.844 4.301 12.215 1.00 11.15 O ATOM 742 CB ALA A 46 4.584 1.586 11.814 1.00 8.99 C ATOM 0 H ALA A 46 2.305 1.129 9.937 1.00 6.53 H new ATOM 0 HA ALA A 46 2.429 1.624 12.056 1.00 7.15 H new ATOM 0 HB1 ALA A 46 4.789 1.757 12.871 1.00 8.99 H new ATOM 0 HB2 ALA A 46 4.612 0.516 11.608 1.00 8.99 H new ATOM 0 HB3 ALA A 46 5.338 2.092 11.211 1.00 8.99 H new ATOM 748 N GLY A 47 1.693 4.043 11.865 1.00 9.35 N ATOM 749 CA GLY A 47 1.416 5.403 12.097 1.00 11.68 C ATOM 750 C GLY A 47 1.309 6.198 10.781 1.00 11.14 C ATOM 751 O GLY A 47 0.333 6.911 10.590 1.00 13.93 O ATOM 0 H GLY A 47 0.869 3.469 11.686 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.483 5.494 12.654 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.201 5.833 12.719 1.00 11.68 H new ATOM 755 N LYS A 48 2.355 6.088 9.923 1.00 10.47 N ATOM 756 CA LYS A 48 2.502 6.903 8.734 1.00 8.82 C ATOM 757 C LYS A 48 1.435 6.585 7.762 1.00 7.68 C ATOM 758 O LYS A 48 0.994 5.415 7.675 1.00 6.47 O ATOM 759 CB LYS A 48 3.955 6.863 8.088 1.00 9.74 C ATOM 760 CG LYS A 48 5.048 7.402 9.025 1.00 14.14 C ATOM 761 CD LYS A 48 6.454 6.958 8.509 1.00 16.32 C ATOM 762 CE LYS A 48 7.686 7.340 9.302 1.00 20.04 C ATOM 763 NZ LYS A 48 8.098 8.732 8.885 1.00 23.92 N ATOM 0 H LYS A 48 3.115 5.420 10.056 1.00 10.47 H new ATOM 0 HA LYS A 48 2.386 7.940 9.048 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.195 5.836 7.813 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.953 7.448 7.168 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.995 8.490 9.073 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.888 7.030 10.037 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.444 5.872 8.422 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.575 7.357 7.502 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.475 7.309 10.371 1.00 20.04 H new ATOM 0 HE3 LYS A 48 8.494 6.632 9.116 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.945 9.018 9.417 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.310 8.741 7.867 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.324 9.397 9.083 1.00 23.92 H new ATOM 777 N GLN A 49 1.015 7.576 6.965 1.00 8.89 N ATOM 778 CA GLN A 49 0.154 7.342 5.808 1.00 7.18 C ATOM 779 C GLN A 49 0.981 7.806 4.622 1.00 8.23 C ATOM 780 O GLN A 49 1.790 8.706 4.791 1.00 9.70 O ATOM 781 CB GLN A 49 -1.069 8.310 5.907 1.00 11.67 C ATOM 782 CG GLN A 49 -2.088 8.118 4.797 1.00 15.82 C ATOM 783 CD GLN A 49 -3.167 9.157 4.813 1.00 20.21 C ATOM 784 OE1 GLN A 49 -3.236 9.972 3.893 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.039 9.186 5.826 1.00 20.67 N ATOM 0 H GLN A 49 1.263 8.555 7.106 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.181 6.307 5.737 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.560 8.164 6.869 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -0.710 9.339 5.885 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.579 8.145 3.834 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.540 7.130 4.891 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.967 8.503 6.580 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.776 9.891 5.845 1.00 20.67 H new ATOM 794 N LEU A 50 0.946 7.137 3.444 1.00 6.51 N ATOM 795 CA LEU A 50 1.904 7.360 2.428 1.00 7.41 C ATOM 796 C LEU A 50 1.283 8.164 1.314 1.00 8.27 C ATOM 797 O LEU A 50 0.055 8.061 1.141 1.00 8.34 O ATOM 798 CB LEU A 50 2.446 6.010 1.947 1.00 7.13 C ATOM 799 CG LEU A 50 2.948 4.992 2.941 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.611 3.813 2.266 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.874 5.566 4.076 1.00 9.11 C ATOM 0 H LEU A 50 0.241 6.438 3.209 1.00 6.51 H new ATOM 0 HA LEU A 50 2.745 7.938 2.810 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.655 5.533 1.368 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.264 6.218 1.258 1.00 7.13 H new ATOM 0 HG LEU A 50 2.041 4.653 3.442 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.956 3.108 3.022 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.895 3.320 1.609 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.461 4.161 1.679 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.182 4.757 4.738 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.756 6.024 3.629 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.326 6.315 4.648 1.00 9.11 H new ATOM 813 N GLU A 51 2.074 8.948 0.623 1.00 9.43 N ATOM 814 CA GLU A 51 1.784 9.845 -0.472 1.00 11.90 C ATOM 815 C GLU A 51 1.873 9.119 -1.864 1.00 11.49 C ATOM 816 O GLU A 51 2.775 8.363 -2.138 1.00 9.88 O ATOM 817 CB GLU A 51 2.701 11.080 -0.446 1.00 16.56 C ATOM 818 CG GLU A 51 2.619 11.778 0.876 1.00 26.06 C ATOM 819 CD GLU A 51 3.143 13.177 0.692 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.514 13.943 -0.053 1.00 33.44 O ATOM 821 OE2 GLU A 51 4.162 13.470 1.400 1.00 32.13 O ATOM 0 H GLU A 51 3.069 8.975 0.845 1.00 9.43 H new ATOM 0 HA GLU A 51 0.756 10.182 -0.339 1.00 11.90 H new ATOM 0 HB2 GLU A 51 3.730 10.778 -0.639 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.416 11.767 -1.243 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.589 11.800 1.233 1.00 26.06 H new ATOM 0 HG3 GLU A 51 3.205 11.246 1.626 1.00 26.06 H new ATOM 828 N ASP A 52 0.873 9.283 -2.744 1.00 12.71 N ATOM 829 CA ASP A 52 0.595 8.468 -3.896 1.00 16.56 C ATOM 830 C ASP A 52 1.736 8.390 -4.922 1.00 15.83 C ATOM 831 O ASP A 52 2.087 7.302 -5.387 1.00 17.21 O ATOM 832 CB ASP A 52 -0.536 9.139 -4.639 1.00 21.05 C ATOM 833 CG ASP A 52 -1.854 9.260 -3.862 1.00 25.12 C ATOM 834 OD1 ASP A 52 -1.964 8.727 -2.708 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.834 9.921 -4.352 1.00 25.82 O ATOM 0 H ASP A 52 0.202 10.045 -2.646 1.00 12.71 H new ATOM 0 HA ASP A 52 0.399 7.464 -3.521 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.213 10.138 -4.932 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.725 8.583 -5.557 1.00 21.05 H new ATOM 840 N GLY A 53 2.326 9.566 -5.281 1.00 15.00 N ATOM 841 CA GLY A 53 3.378 9.782 -6.240 1.00 11.77 C ATOM 842 C GLY A 53 4.759 9.426 -5.694 1.00 11.10 C ATOM 843 O GLY A 53 5.660 9.388 -6.500 1.00 11.25 O ATOM 0 H GLY A 53 2.031 10.444 -4.853 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.180 9.186 -7.131 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.373 10.827 -6.549 1.00 11.77 H new ATOM 847 N ARG A 54 4.926 9.255 -4.339 1.00 8.53 N ATOM 848 CA ARG A 54 6.236 8.982 -3.751 1.00 9.05 C ATOM 849 C ARG A 54 6.497 7.482 -3.934 1.00 8.96 C ATOM 850 O ARG A 54 5.553 6.756 -4.104 1.00 11.60 O ATOM 851 CB ARG A 54 6.195 9.404 -2.247 1.00 7.97 C ATOM 852 CG ARG A 54 6.342 10.955 -2.010 1.00 9.62 C ATOM 853 CD ARG A 54 7.691 11.599 -2.434 1.00 12.20 C ATOM 854 NE ARG A 54 7.609 13.024 -1.914 1.00 18.23 N ATOM 855 CZ ARG A 54 8.334 14.058 -2.406 1.00 22.08 C ATOM 856 NH1 ARG A 54 9.441 13.793 -3.053 1.00 25.50 N ATOM 857 NH2 ARG A 54 7.960 15.322 -2.182 1.00 23.38 N ATOM 0 H ARG A 54 4.164 9.305 -3.662 1.00 8.53 H new ATOM 0 HA ARG A 54 7.043 9.541 -4.224 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.254 9.068 -1.812 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.994 8.888 -1.714 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.540 11.459 -2.548 1.00 9.62 H new ATOM 0 HG3 ARG A 54 6.188 11.154 -0.949 1.00 9.62 H new ATOM 0 HD2 ARG A 54 8.539 11.067 -2.002 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.819 11.578 -3.516 1.00 12.20 H new ATOM 0 HE ARG A 54 6.967 13.215 -1.145 1.00 18.23 H new ATOM 0 HH11 ARG A 54 9.740 12.826 -3.177 1.00 25.50 H new ATOM 0 HH12 ARG A 54 10.004 14.554 -3.433 1.00 25.50 H new ATOM 0 HH21 ARG A 54 7.121 15.516 -1.636 1.00 23.38 H new ATOM 0 HH22 ARG A 54 8.514 16.092 -2.557 1.00 23.38 H new ATOM 871 N THR A 55 7.756 7.064 -3.941 1.00 9.05 N ATOM 872 CA THR A 55 8.202 5.700 -4.098 1.00 9.03 C ATOM 873 C THR A 55 8.316 4.972 -2.753 1.00 8.15 C ATOM 874 O THR A 55 8.258 5.522 -1.696 1.00 5.91 O ATOM 875 CB THR A 55 9.565 5.522 -4.807 1.00 11.15 C ATOM 876 OG1 THR A 55 10.651 5.960 -3.967 1.00 11.95 O ATOM 877 CG2 THR A 55 9.542 6.349 -6.172 1.00 11.71 C ATOM 0 H THR A 55 8.535 7.714 -3.830 1.00 9.05 H new ATOM 0 HA THR A 55 7.425 5.273 -4.732 1.00 9.03 H new ATOM 0 HB THR A 55 9.725 4.465 -5.017 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.752 6.932 -4.043 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.497 6.233 -6.684 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.741 5.976 -6.810 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.372 7.404 -5.956 1.00 11.71 H new ATOM 885 N LEU A 56 8.501 3.644 -2.800 1.00 6.91 N ATOM 886 CA LEU A 56 8.877 2.701 -1.759 1.00 8.29 C ATOM 887 C LEU A 56 10.333 2.969 -1.253 1.00 8.05 C ATOM 888 O LEU A 56 10.736 2.535 -0.177 1.00 10.17 O ATOM 889 CB LEU A 56 8.653 1.239 -2.184 1.00 6.60 C ATOM 890 CG LEU A 56 7.181 0.802 -2.439 1.00 7.73 C ATOM 891 CD1 LEU A 56 6.954 -0.426 -3.391 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.365 0.482 -1.194 1.00 8.64 C ATOM 0 H LEU A 56 8.372 3.154 -3.685 1.00 6.91 H new ATOM 0 HA LEU A 56 8.210 2.866 -0.912 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.224 1.058 -3.095 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.071 0.593 -1.412 1.00 6.60 H new ATOM 0 HG LEU A 56 6.840 1.718 -2.922 1.00 7.73 H new ATOM 0 HD11 LEU A 56 5.886 -0.623 -3.482 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.367 -0.205 -4.375 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.451 -1.304 -2.978 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.356 0.189 -1.485 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.837 -0.336 -0.650 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.316 1.363 -0.554 1.00 8.64 H new ATOM 904 N SER A 57 11.189 3.733 -1.989 1.00 8.92 N ATOM 905 CA SER A 57 12.494 4.131 -1.484 1.00 9.00 C ATOM 906 C SER A 57 12.418 5.456 -0.729 1.00 9.44 C ATOM 907 O SER A 57 13.321 5.742 0.077 1.00 10.91 O ATOM 908 CB SER A 57 13.455 4.107 -2.688 1.00 10.32 C ATOM 909 OG SER A 57 13.413 5.335 -3.479 1.00 13.59 O ATOM 0 H SER A 57 10.981 4.074 -2.928 1.00 8.92 H new ATOM 0 HA SER A 57 12.878 3.443 -0.730 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.472 3.947 -2.330 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.205 3.261 -3.328 1.00 10.32 H new ATOM 0 HG SER A 57 12.481 5.574 -3.663 1.00 13.59 H new ATOM 915 N ASP A 58 11.352 6.238 -0.910 1.00 9.11 N ATOM 916 CA ASP A 58 11.323 7.532 -0.309 1.00 7.91 C ATOM 917 C ASP A 58 10.924 7.442 1.146 1.00 9.12 C ATOM 918 O ASP A 58 11.122 8.433 1.927 1.00 8.61 O ATOM 919 CB ASP A 58 10.333 8.471 -1.056 1.00 8.41 C ATOM 920 CG ASP A 58 10.818 8.689 -2.511 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.991 9.107 -2.668 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.018 8.520 -3.518 1.00 11.70 O ATOM 0 H ASP A 58 10.527 5.989 -1.456 1.00 9.11 H new ATOM 0 HA ASP A 58 12.329 7.946 -0.379 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.334 8.035 -1.057 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.263 9.428 -0.538 1.00 8.41 H new ATOM 927 N TYR A 59 10.533 6.253 1.565 1.00 7.97 N ATOM 928 CA TYR A 59 10.207 5.931 2.964 1.00 8.45 C ATOM 929 C TYR A 59 11.267 4.903 3.391 1.00 10.98 C ATOM 930 O TYR A 59 11.120 4.292 4.452 1.00 12.95 O ATOM 931 CB TYR A 59 8.820 5.229 2.941 1.00 7.94 C ATOM 932 CG TYR A 59 7.783 6.228 2.625 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.363 7.212 3.506 1.00 4.59 C ATOM 934 CD2 TYR A 59 7.213 6.250 1.319 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.513 8.229 3.134 1.00 5.39 C ATOM 936 CE2 TYR A 59 6.369 7.251 0.861 1.00 6.52 C ATOM 937 CZ TYR A 59 5.969 8.225 1.836 1.00 6.76 C ATOM 938 OH TYR A 59 5.027 9.233 1.437 1.00 7.63 O ATOM 0 H TYR A 59 10.427 5.457 0.936 1.00 7.97 H new ATOM 0 HA TYR A 59 10.189 6.798 3.625 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.814 4.432 2.198 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.616 4.767 3.907 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.717 7.180 4.526 1.00 4.59 H new ATOM 0 HD2 TYR A 59 7.452 5.440 0.646 1.00 6.98 H new ATOM 0 HE1 TYR A 59 6.267 9.019 3.828 1.00 5.39 H new ATOM 0 HE2 TYR A 59 6.034 7.295 -0.165 1.00 6.52 H new ATOM 0 HH TYR A 59 5.111 9.397 0.474 1.00 7.63 H new ATOM 948 N ASN A 60 12.310 4.626 2.563 1.00 12.38 N ATOM 949 CA ASN A 60 13.353 3.608 2.785 1.00 13.94 C ATOM 950 C ASN A 60 12.914 2.235 3.105 1.00 14.16 C ATOM 951 O ASN A 60 13.434 1.525 3.954 1.00 14.26 O ATOM 952 CB ASN A 60 14.456 4.075 3.829 1.00 19.23 C ATOM 953 CG ASN A 60 15.162 5.343 3.420 1.00 22.65 C ATOM 954 OD1 ASN A 60 15.249 6.318 4.185 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.700 5.323 2.135 1.00 24.09 N ATOM 0 H ASN A 60 12.445 5.132 1.688 1.00 12.38 H new ATOM 0 HA ASN A 60 13.782 3.533 1.786 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.986 4.226 4.801 1.00 19.23 H new ATOM 0 HB3 ASN A 60 15.192 3.280 3.950 1.00 19.23 H new ATOM 0 HD21 ASN A 60 16.197 6.139 1.777 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.597 4.493 1.552 1.00 24.09 H new ATOM 962 N ILE A 61 11.838 1.761 2.445 1.00 11.08 N ATOM 963 CA ILE A 61 11.286 0.419 2.658 1.00 11.78 C ATOM 964 C ILE A 61 12.196 -0.648 2.068 1.00 13.74 C ATOM 965 O ILE A 61 12.623 -0.547 0.937 1.00 14.60 O ATOM 966 CB ILE A 61 9.820 0.288 2.182 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.943 1.290 2.910 1.00 11.56 C ATOM 968 CG2 ILE A 61 9.262 -1.127 2.466 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.513 1.431 2.405 1.00 11.42 C ATOM 0 H ILE A 61 11.330 2.305 1.748 1.00 11.08 H new ATOM 0 HA ILE A 61 11.252 0.254 3.735 1.00 11.78 H new ATOM 0 HB ILE A 61 9.810 0.475 1.108 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.907 1.011 3.963 1.00 11.56 H new ATOM 0 HG13 ILE A 61 9.423 2.267 2.855 1.00 11.56 H new ATOM 0 HG21 ILE A 61 8.230 -1.187 2.120 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.865 -1.868 1.941 1.00 13.29 H new ATOM 0 HG23 ILE A 61 9.298 -1.324 3.537 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.987 2.175 3.004 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.525 1.747 1.362 1.00 11.42 H new ATOM 0 HD13 ILE A 61 7.002 0.472 2.487 1.00 11.42 H new ATOM 981 N GLN A 62 12.419 -1.727 2.851 1.00 13.97 N ATOM 982 CA GLN A 62 13.372 -2.764 2.489 1.00 15.52 C ATOM 983 C GLN A 62 12.564 -4.033 2.468 1.00 13.94 C ATOM 984 O GLN A 62 11.495 -4.167 3.029 1.00 12.15 O ATOM 985 CB GLN A 62 14.540 -2.836 3.513 1.00 19.53 C ATOM 986 CG GLN A 62 15.473 -1.583 3.434 1.00 26.38 C ATOM 987 CD GLN A 62 16.423 -1.447 4.635 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.225 -2.055 5.690 1.00 33.23 O ATOM 989 NE2 GLN A 62 17.398 -0.547 4.489 1.00 32.71 N ATOM 0 H GLN A 62 11.943 -1.890 3.738 1.00 13.97 H new ATOM 0 HA GLN A 62 13.847 -2.574 1.527 1.00 15.52 H new ATOM 0 HB2 GLN A 62 14.133 -2.921 4.521 1.00 19.53 H new ATOM 0 HB3 GLN A 62 15.127 -3.736 3.330 1.00 19.53 H new ATOM 0 HG2 GLN A 62 16.063 -1.637 2.519 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.858 -0.686 3.365 1.00 26.38 H new ATOM 0 HE21 GLN A 62 17.522 -0.070 3.596 1.00 32.71 H new ATOM 0 HE22 GLN A 62 18.019 -0.336 5.270 1.00 32.71 H new ATOM 998 N LYS A 63 13.103 -5.098 1.839 1.00 11.73 N ATOM 999 CA LYS A 63 12.486 -6.410 1.623 1.00 11.97 C ATOM 1000 C LYS A 63 11.870 -7.087 2.861 1.00 10.41 C ATOM 1001 O LYS A 63 12.435 -6.988 3.940 1.00 9.59 O ATOM 1002 CB LYS A 63 13.495 -7.362 1.012 1.00 13.73 C ATOM 1003 CG LYS A 63 14.665 -7.880 1.886 1.00 16.98 C ATOM 1004 CD LYS A 63 15.685 -8.806 1.256 1.00 20.19 C ATOM 1005 CE LYS A 63 16.811 -9.081 2.264 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.296 -9.767 3.508 1.00 25.97 N ATOM 0 H LYS A 63 14.043 -5.055 1.445 1.00 11.73 H new ATOM 0 HA LYS A 63 11.650 -6.200 0.955 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.948 -8.231 0.646 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.928 -6.868 0.142 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.200 -7.012 2.272 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.234 -8.396 2.744 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.210 -9.741 0.960 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.093 -8.355 0.351 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.574 -9.703 1.796 1.00 23.42 H new ATOM 0 HE3 LYS A 63 17.290 -8.141 2.539 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.097 -10.146 4.052 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 15.775 -9.082 4.092 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 15.661 -10.545 3.238 1.00 25.97 H new ATOM 1020 N GLU A 64 10.669 -7.650 2.762 1.00 10.04 N ATOM 1021 CA GLU A 64 9.916 -8.378 3.683 1.00 10.94 C ATOM 1022 C GLU A 64 9.336 -7.433 4.690 1.00 9.74 C ATOM 1023 O GLU A 64 8.917 -7.759 5.796 1.00 9.42 O ATOM 1024 CB GLU A 64 10.607 -9.603 4.345 1.00 18.31 C ATOM 1025 CG GLU A 64 10.634 -10.829 3.429 1.00 24.16 C ATOM 1026 CD GLU A 64 11.448 -11.987 3.913 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.486 -12.197 5.112 1.00 32.61 O ATOM 1028 OE2 GLU A 64 12.053 -12.732 3.066 1.00 31.72 O ATOM 0 H GLU A 64 10.157 -7.571 1.883 1.00 10.04 H new ATOM 0 HA GLU A 64 9.127 -8.860 3.105 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.628 -9.336 4.619 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.085 -9.855 5.268 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.609 -11.168 3.277 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.016 -10.523 2.455 1.00 24.16 H new ATOM 1035 N SER A 65 9.095 -6.191 4.289 1.00 6.85 N ATOM 1036 CA SER A 65 8.484 -5.242 5.165 1.00 6.90 C ATOM 1037 C SER A 65 6.946 -5.454 5.324 1.00 4.72 C ATOM 1038 O SER A 65 6.230 -5.864 4.413 1.00 3.91 O ATOM 1039 CB SER A 65 8.621 -3.687 4.759 1.00 7.28 C ATOM 1040 OG SER A 65 8.679 -2.764 5.827 1.00 10.56 O ATOM 0 H SER A 65 9.319 -5.833 3.361 1.00 6.85 H new ATOM 0 HA SER A 65 9.049 -5.438 6.076 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.521 -3.569 4.156 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.775 -3.423 4.124 1.00 7.28 H new ATOM 0 HG SER A 65 7.980 -2.087 5.713 1.00 10.56 H new ATOM 1046 N THR A 66 6.436 -5.039 6.510 1.00 4.48 N ATOM 1047 CA THR A 66 5.013 -5.191 6.871 1.00 3.80 C ATOM 1048 C THR A 66 4.388 -3.850 6.903 1.00 4.60 C ATOM 1049 O THR A 66 4.805 -2.970 7.623 1.00 5.33 O ATOM 1050 CB THR A 66 4.801 -5.874 8.236 1.00 2.85 C ATOM 1051 OG1 THR A 66 5.129 -7.275 8.263 1.00 2.15 O ATOM 1052 CG2 THR A 66 3.335 -5.761 8.673 1.00 3.40 C ATOM 0 H THR A 66 6.998 -4.593 7.235 1.00 4.48 H new ATOM 0 HA THR A 66 4.554 -5.833 6.119 1.00 3.80 H new ATOM 0 HB THR A 66 5.481 -5.348 8.906 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.969 -7.631 9.162 1.00 2.15 H new ATOM 0 HG21 THR A 66 3.205 -6.249 9.639 1.00 3.40 H new ATOM 0 HG22 THR A 66 3.061 -4.710 8.758 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.697 -6.244 7.933 1.00 3.40 H new ATOM 1060 N LEU A 67 3.336 -3.665 6.070 1.00 4.17 N ATOM 1061 CA LEU A 67 2.599 -2.446 5.906 1.00 3.85 C ATOM 1062 C LEU A 67 1.135 -2.746 6.190 1.00 3.80 C ATOM 1063 O LEU A 67 0.804 -3.886 6.507 1.00 5.54 O ATOM 1064 CB LEU A 67 2.613 -1.881 4.451 1.00 7.18 C ATOM 1065 CG LEU A 67 3.949 -1.162 4.025 1.00 9.67 C ATOM 1066 CD1 LEU A 67 5.041 -2.160 3.619 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.729 -0.187 2.938 1.00 11.66 C ATOM 0 H LEU A 67 2.982 -4.416 5.477 1.00 4.17 H new ATOM 0 HA LEU A 67 3.064 -1.721 6.574 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.423 -2.701 3.758 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.789 -1.175 4.344 1.00 7.18 H new ATOM 0 HG LEU A 67 4.293 -0.623 4.907 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.942 -1.617 3.334 1.00 8.12 H new ATOM 0 HD12 LEU A 67 5.264 -2.817 4.460 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.694 -2.756 2.775 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.676 0.285 2.676 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.325 -0.700 2.065 1.00 11.66 H new ATOM 0 HD23 LEU A 67 3.023 0.575 3.270 1.00 11.66 H new ATOM 1079 N HIS A 68 0.230 -1.719 6.124 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.139 -1.991 6.491 1.00 4.17 C ATOM 1081 C HIS A 68 -2.051 -1.232 5.529 1.00 5.32 C ATOM 1082 O HIS A 68 -1.598 -0.331 4.840 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.385 -1.600 7.995 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.178 -2.686 9.091 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.085 -3.194 9.314 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -2.029 -3.410 9.904 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -0.046 -4.061 10.353 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -1.306 -4.221 10.746 1.00 16.30 N ATOM 0 H HIS A 68 0.435 -0.762 5.835 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.361 -3.055 6.409 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.728 -0.762 8.231 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.409 -1.236 8.079 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -3.107 -3.348 9.881 1.00 12.79 H new ATOM 0 HE1 HIS A 68 0.789 -4.569 10.813 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -1.656 -4.811 11.501 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.307 -1.640 5.370 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.200 -1.045 4.443 1.00 3.97 C ATOM 1098 C LEU A 69 -5.505 -0.736 5.143 1.00 5.07 C ATOM 1099 O LEU A 69 -6.109 -1.588 5.767 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.452 -2.056 3.232 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.488 -1.610 2.186 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.149 -0.309 1.555 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.615 -2.696 1.132 1.00 9.96 C ATOM 0 H LEU A 69 -3.717 -2.408 5.902 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.774 -0.121 4.052 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.503 -2.227 2.724 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.770 -3.014 3.644 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.439 -1.460 2.696 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.916 -0.047 0.826 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.097 0.464 2.321 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.184 -0.388 1.054 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.347 -2.393 0.383 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.649 -2.852 0.652 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.941 -3.624 1.603 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.045 0.502 5.015 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.388 0.822 5.588 1.00 6.26 C ATOM 1117 C VAL A 70 -8.170 1.370 4.318 1.00 9.22 C ATOM 1118 O VAL A 70 -7.642 2.102 3.487 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.412 1.962 6.654 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.700 1.365 7.893 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.684 3.224 6.181 1.00 8.54 C ATOM 0 H VAL A 70 -5.591 1.279 4.535 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.786 -0.056 6.097 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.435 2.276 6.860 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.675 2.107 8.691 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -7.242 0.483 8.234 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.681 1.084 7.627 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.731 3.985 6.960 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.642 2.985 5.969 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -7.161 3.601 5.276 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.407 0.998 4.154 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.240 1.345 2.996 1.00 16.06 C ATOM 1133 C LEU A 71 -11.313 2.323 3.307 1.00 18.09 C ATOM 1134 O LEU A 71 -11.998 2.086 4.293 1.00 19.26 O ATOM 1135 CB LEU A 71 -10.895 0.098 2.514 1.00 17.10 C ATOM 1136 CG LEU A 71 -9.992 -0.990 1.865 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -10.861 -2.107 1.304 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -8.916 -0.489 0.871 1.00 19.57 C ATOM 0 H LEU A 71 -9.898 0.423 4.838 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.585 1.802 2.254 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.413 -0.356 3.359 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.657 0.379 1.787 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.372 -1.383 2.671 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.227 -2.868 0.850 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.444 -2.554 2.109 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.535 -1.700 0.551 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.352 -1.339 0.487 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.399 0.030 0.043 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.238 0.195 1.382 1.00 19.57 H new