USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 THR OG1 : rot 123:sc= 1.05 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0.757 USER MOD Set 2.1: A 6 LYS NZ :NH3+ 141:sc= 1.24 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot 149:sc= 1.05 USER MOD Single : A 1 MET CE :methyl -155:sc= 0 (180deg=-0.533) USER MOD Single : A 1 MET N :NH3+ -162:sc= 2.55 (180deg=2.19) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 11 LYS NZ :NH3+ 167:sc= 1.29 (180deg=1.11) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.144 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.09) USER MOD Single : A 27 LYS NZ :NH3+ -157:sc= 1.75 (180deg=0.575!) USER MOD Single : A 29 LYS NZ :NH3+ 157:sc= 1.26 (180deg=1.23) USER MOD Single : A 31 GLN : amide:sc= -0.851 X(o=-0.85,f=-0.98) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 41 GLN : amide:sc= 0.6 K(o=0.6,f=-2.9!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0227 X(o=-0.023,f=0) USER MOD Single : A 55 THR OG1 : rot -56:sc= 1.19 USER MOD Single : A 57 SER OG : rot -34:sc= 0.00156 USER MOD Single : A 59 TYR OH : rot 15:sc= 0.853 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.15 X(o=-0.15,f=-0.25) USER MOD Single : A 63 LYS NZ :NH3+ -158:sc= -0.0222 (180deg=-0.488) USER MOD Single : A 65 SER OG : rot -104:sc= 0.109 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) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.084 -7.044 -4.907 1.00 9.67 N ATOM 2 CA MET A 1 11.065 -7.435 -3.489 1.00 10.38 C ATOM 3 C MET A 1 9.637 -7.720 -2.993 1.00 9.62 C ATOM 4 O MET A 1 8.620 -7.258 -3.506 1.00 9.62 O ATOM 5 CB MET A 1 11.730 -6.301 -2.658 1.00 13.77 C ATOM 6 CG MET A 1 11.050 -4.883 -2.499 1.00 16.29 C ATOM 7 SD MET A 1 12.087 -3.777 -1.532 1.00 17.17 S ATOM 8 CE MET A 1 10.766 -2.598 -1.451 1.00 16.11 C ATOM 0 H1 MET A 1 12.046 -7.156 -5.285 1.00 9.67 H new ATOM 0 H2 MET A 1 10.429 -7.649 -5.443 1.00 9.67 H new ATOM 0 H3 MET A 1 10.790 -6.051 -4.997 1.00 9.67 H new ATOM 0 HA MET A 1 11.624 -8.363 -3.366 1.00 10.38 H new ATOM 0 HB2 MET A 1 11.882 -6.693 -1.653 1.00 13.77 H new ATOM 0 HB3 MET A 1 12.718 -6.132 -3.087 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.869 -4.450 -3.483 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.079 -4.993 -2.015 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.178 -1.600 -1.299 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.201 -2.620 -2.383 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.106 -2.848 -0.621 1.00 16.11 H new ATOM 20 N GLN A 2 9.487 -8.524 -1.878 1.00 9.27 N ATOM 21 CA GLN A 2 8.204 -8.939 -1.267 1.00 9.07 C ATOM 22 C GLN A 2 7.947 -7.884 -0.192 1.00 8.72 C ATOM 23 O GLN A 2 8.739 -7.545 0.705 1.00 8.22 O ATOM 24 CB GLN A 2 8.134 -10.348 -0.687 1.00 14.46 C ATOM 25 CG GLN A 2 8.213 -11.318 -1.879 1.00 17.01 C ATOM 26 CD GLN A 2 8.362 -12.835 -1.548 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.867 -13.234 -0.493 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.004 -13.679 -2.533 1.00 19.49 N ATOM 0 H GLN A 2 10.292 -8.902 -1.379 1.00 9.27 H new ATOM 0 HA GLN A 2 7.445 -8.994 -2.047 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.955 -10.522 0.009 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.208 -10.492 -0.130 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.313 -11.189 -2.481 1.00 17.01 H new ATOM 0 HG3 GLN A 2 9.058 -11.022 -2.501 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.590 -13.315 -3.391 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.147 -14.683 -2.422 1.00 19.49 H new ATOM 37 N ILE A 3 6.778 -7.303 -0.171 1.00 5.87 N ATOM 38 CA ILE A 3 6.237 -6.561 0.954 1.00 5.07 C ATOM 39 C ILE A 3 4.879 -7.113 1.234 1.00 4.01 C ATOM 40 O ILE A 3 4.247 -7.710 0.342 1.00 4.61 O ATOM 41 CB ILE A 3 6.154 -4.999 0.735 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.474 -4.609 -0.544 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.567 -4.467 0.935 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.892 -3.174 -0.409 1.00 10.83 C ATOM 0 H ILE A 3 6.143 -7.331 -0.969 1.00 5.87 H new ATOM 0 HA ILE A 3 6.920 -6.686 1.794 1.00 5.07 H new ATOM 0 HB ILE A 3 5.496 -4.525 1.463 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.183 -4.648 -1.371 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.676 -5.316 -0.774 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.572 -3.386 0.795 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.906 -4.704 1.944 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.236 -4.930 0.209 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.398 -2.893 -1.339 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.170 -3.150 0.407 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.699 -2.472 -0.200 1.00 10.83 H new ATOM 56 N PHE A 4 4.412 -6.915 2.477 1.00 4.55 N ATOM 57 CA PHE A 4 3.212 -7.507 2.995 1.00 4.68 C ATOM 58 C PHE A 4 2.145 -6.459 3.315 1.00 5.30 C ATOM 59 O PHE A 4 2.434 -5.448 3.918 1.00 5.58 O ATOM 60 CB PHE A 4 3.515 -8.222 4.356 1.00 4.83 C ATOM 61 CG PHE A 4 4.760 -9.101 4.254 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.838 -10.004 3.171 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.667 -9.211 5.309 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.967 -10.875 3.082 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.737 -10.105 5.218 1.00 10.61 C ATOM 66 CZ PHE A 4 6.901 -10.851 4.088 1.00 8.90 C ATOM 0 H PHE A 4 4.888 -6.318 3.153 1.00 4.55 H new ATOM 0 HA PHE A 4 2.856 -8.194 2.227 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.657 -7.476 5.138 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.660 -8.831 4.648 1.00 4.83 H new ATOM 0 HD1 PHE A 4 4.059 -10.036 2.424 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.542 -8.606 6.195 1.00 8.34 H new ATOM 0 HE1 PHE A 4 6.084 -11.540 2.239 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.431 -10.205 6.039 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.797 -11.444 3.981 1.00 8.90 H new ATOM 76 N VAL A 5 0.839 -6.713 3.012 1.00 4.44 N ATOM 77 CA VAL A 5 -0.307 -5.756 3.279 1.00 3.87 C ATOM 78 C VAL A 5 -1.355 -6.458 4.103 1.00 4.93 C ATOM 79 O VAL A 5 -1.864 -7.499 3.671 1.00 6.84 O ATOM 80 CB VAL A 5 -1.006 -5.249 1.951 1.00 2.99 C ATOM 81 CG1 VAL A 5 -2.318 -4.442 2.317 1.00 5.28 C ATOM 82 CG2 VAL A 5 -0.040 -4.383 1.102 1.00 9.13 C ATOM 0 H VAL A 5 0.538 -7.584 2.575 1.00 4.44 H new ATOM 0 HA VAL A 5 0.116 -4.895 3.797 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.279 -6.115 1.347 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.798 -4.094 1.402 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -3.004 -5.090 2.862 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -2.057 -3.585 2.939 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.549 -4.050 0.197 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.275 -3.515 1.681 1.00 9.13 H new ATOM 0 HG23 VAL A 5 0.834 -4.974 0.830 1.00 9.13 H new ATOM 92 N LYS A 6 -1.715 -5.874 5.316 1.00 6.04 N ATOM 93 CA LYS A 6 -2.617 -6.519 6.319 1.00 6.12 C ATOM 94 C LYS A 6 -3.933 -5.819 6.263 1.00 6.57 C ATOM 95 O LYS A 6 -4.141 -4.657 6.624 1.00 5.76 O ATOM 96 CB LYS A 6 -2.074 -6.213 7.723 1.00 7.45 C ATOM 97 CG LYS A 6 -0.750 -6.817 8.075 1.00 11.12 C ATOM 98 CD LYS A 6 -0.842 -8.337 8.189 1.00 14.54 C ATOM 99 CE LYS A 6 0.502 -9.049 8.530 1.00 18.84 C ATOM 100 NZ LYS A 6 0.498 -10.459 8.465 1.00 20.55 N ATOM 0 H LYS A 6 -1.383 -4.954 5.605 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.689 -7.588 6.119 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.994 -5.131 7.829 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.808 -6.552 8.454 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.014 -6.552 7.316 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.398 -6.401 9.019 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.574 -8.586 8.957 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.220 -8.736 7.247 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.268 -8.678 7.849 1.00 18.84 H new ATOM 0 HE3 LYS A 6 0.800 -8.754 9.536 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.396 -10.790 8.059 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.386 -10.850 9.422 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.291 -10.777 7.866 1.00 20.55 H new ATOM 114 N THR A 7 -4.954 -6.584 5.788 1.00 7.41 N ATOM 115 CA THR A 7 -6.274 -6.047 5.438 1.00 7.48 C ATOM 116 C THR A 7 -7.249 -6.023 6.665 1.00 8.75 C ATOM 117 O THR A 7 -6.991 -6.660 7.674 1.00 8.58 O ATOM 118 CB THR A 7 -6.929 -6.698 4.203 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.504 -7.913 4.543 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.895 -6.759 3.099 1.00 9.17 C ATOM 0 H THR A 7 -4.872 -7.590 5.641 1.00 7.41 H new ATOM 0 HA THR A 7 -6.078 -5.016 5.144 1.00 7.48 H new ATOM 0 HB THR A 7 -7.761 -6.105 3.823 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.456 -7.900 4.313 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.335 -7.217 2.213 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.560 -5.750 2.858 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.044 -7.354 3.430 1.00 9.17 H new ATOM 128 N LEU A 8 -8.352 -5.335 6.541 1.00 9.84 N ATOM 129 CA LEU A 8 -9.441 -5.249 7.580 1.00 14.15 C ATOM 130 C LEU A 8 -10.103 -6.578 7.740 1.00 17.37 C ATOM 131 O LEU A 8 -10.679 -6.887 8.785 1.00 17.01 O ATOM 132 CB LEU A 8 -10.454 -4.056 7.153 1.00 16.63 C ATOM 133 CG LEU A 8 -9.709 -2.704 7.064 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.685 -1.595 6.520 1.00 19.31 C ATOM 135 CD2 LEU A 8 -9.212 -2.269 8.414 1.00 18.59 C ATOM 0 H LEU A 8 -8.561 -4.790 5.705 1.00 9.84 H new ATOM 0 HA LEU A 8 -9.039 -5.003 8.563 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.910 -4.288 6.191 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -11.263 -3.983 7.880 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.861 -2.835 6.392 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.157 -0.644 6.459 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -11.040 -1.877 5.529 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.535 -1.495 7.195 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -8.692 -1.315 8.320 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -10.057 -2.157 9.094 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -8.526 -3.019 8.808 1.00 18.59 H new ATOM 147 N THR A 9 -10.003 -7.421 6.688 1.00 18.33 N ATOM 148 CA THR A 9 -10.575 -8.727 6.553 1.00 19.24 C ATOM 149 C THR A 9 -9.551 -9.807 6.763 1.00 19.48 C ATOM 150 O THR A 9 -9.707 -10.940 6.276 1.00 23.14 O ATOM 151 CB THR A 9 -11.147 -8.878 5.165 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.259 -8.467 4.149 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.301 -7.848 5.097 1.00 19.70 C ATOM 0 H THR A 9 -9.471 -7.159 5.858 1.00 18.33 H new ATOM 0 HA THR A 9 -11.351 -8.830 7.312 1.00 19.24 H new ATOM 0 HB THR A 9 -11.408 -9.925 5.011 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.683 -8.590 3.274 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.772 -7.894 4.115 1.00 19.70 H new ATOM 0 HG22 THR A 9 -13.040 -8.078 5.865 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.905 -6.846 5.263 1.00 19.70 H new ATOM 161 N GLY A 10 -8.467 -9.470 7.442 1.00 19.43 N ATOM 162 CA GLY A 10 -7.545 -10.407 7.957 1.00 18.74 C ATOM 163 C GLY A 10 -6.558 -11.013 7.065 1.00 17.62 C ATOM 164 O GLY A 10 -5.834 -11.930 7.427 1.00 19.74 O ATOM 0 H GLY A 10 -8.218 -8.502 7.644 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.999 -9.918 8.764 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -8.120 -11.217 8.406 1.00 18.74 H new ATOM 168 N LYS A 11 -6.545 -10.589 5.770 1.00 13.56 N ATOM 169 CA LYS A 11 -5.655 -11.218 4.855 1.00 11.91 C ATOM 170 C LYS A 11 -4.241 -10.622 4.944 1.00 10.18 C ATOM 171 O LYS A 11 -4.047 -9.528 5.469 1.00 9.10 O ATOM 172 CB LYS A 11 -6.168 -11.024 3.361 1.00 13.43 C ATOM 173 CG LYS A 11 -7.640 -11.269 3.088 1.00 16.69 C ATOM 174 CD LYS A 11 -8.206 -10.735 1.690 1.00 17.92 C ATOM 175 CE LYS A 11 -9.523 -11.491 1.379 1.00 20.81 C ATOM 176 NZ LYS A 11 -10.103 -10.766 0.261 1.00 21.93 N ATOM 0 H LYS A 11 -7.127 -9.845 5.384 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.624 -12.275 5.119 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -5.934 -10.004 3.055 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -5.592 -11.689 2.718 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -7.823 -12.342 3.142 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -8.217 -10.806 3.889 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.387 -9.661 1.738 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.477 -10.900 0.897 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -9.331 -12.532 1.120 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -10.192 -11.494 2.240 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -10.873 -11.328 -0.155 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -10.480 -9.856 0.595 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -9.372 -10.595 -0.458 1.00 21.93 H new ATOM 190 N THR A 12 -3.276 -11.344 4.459 1.00 9.63 N ATOM 191 CA THR A 12 -1.962 -10.867 4.274 1.00 9.85 C ATOM 192 C THR A 12 -1.798 -10.974 2.819 1.00 11.66 C ATOM 193 O THR A 12 -1.787 -12.082 2.330 1.00 12.33 O ATOM 194 CB THR A 12 -0.831 -11.543 5.001 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.012 -11.492 6.408 1.00 10.91 O ATOM 196 CG2 THR A 12 0.458 -10.841 4.655 1.00 9.63 C ATOM 0 H THR A 12 -3.399 -12.316 4.175 1.00 9.63 H new ATOM 0 HA THR A 12 -1.883 -9.871 4.710 1.00 9.85 H new ATOM 0 HB THR A 12 -0.804 -12.589 4.694 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.612 -12.287 6.818 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.286 -11.322 5.176 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.625 -10.897 3.579 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.396 -9.796 4.959 1.00 9.63 H new ATOM 204 N ILE A 13 -1.644 -9.851 2.111 1.00 10.42 N ATOM 205 CA ILE A 13 -1.406 -9.892 0.637 1.00 11.84 C ATOM 206 C ILE A 13 0.062 -9.704 0.547 1.00 10.55 C ATOM 207 O ILE A 13 0.637 -8.812 1.176 1.00 11.92 O ATOM 208 CB ILE A 13 -2.151 -8.783 -0.142 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.577 -8.617 0.524 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.235 -9.217 -1.615 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.342 -7.518 -0.195 1.00 16.46 C ATOM 0 H ILE A 13 -1.676 -8.913 2.510 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.776 -10.815 0.190 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.641 -7.820 -0.106 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.128 -9.556 0.469 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.471 -8.371 1.581 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.757 -8.452 -2.190 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.229 -9.348 -2.014 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.779 -10.159 -1.686 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.325 -7.401 0.261 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.792 -6.580 -0.117 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.459 -7.784 -1.246 1.00 16.46 H new ATOM 223 N THR A 14 0.689 -10.588 -0.222 1.00 9.39 N ATOM 224 CA THR A 14 2.147 -10.506 -0.484 1.00 9.63 C ATOM 225 C THR A 14 2.413 -10.031 -1.937 1.00 11.20 C ATOM 226 O THR A 14 1.915 -10.640 -2.859 1.00 11.63 O ATOM 227 CB THR A 14 2.922 -11.846 -0.154 1.00 10.38 C ATOM 228 OG1 THR A 14 2.676 -12.213 1.211 1.00 16.30 O ATOM 229 CG2 THR A 14 4.408 -11.726 -0.260 1.00 11.66 C ATOM 0 H THR A 14 0.224 -11.372 -0.680 1.00 9.39 H new ATOM 0 HA THR A 14 2.549 -9.762 0.204 1.00 9.63 H new ATOM 0 HB THR A 14 2.561 -12.573 -0.882 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.154 -13.043 1.418 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.868 -12.684 -0.019 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.678 -11.438 -1.276 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.763 -10.968 0.438 1.00 11.66 H new ATOM 237 N LEU A 15 3.005 -8.830 -2.096 1.00 8.29 N ATOM 238 CA LEU A 15 3.247 -8.150 -3.364 1.00 9.03 C ATOM 239 C LEU A 15 4.707 -8.221 -3.707 1.00 8.59 C ATOM 240 O LEU A 15 5.570 -7.835 -2.908 1.00 7.79 O ATOM 241 CB LEU A 15 2.898 -6.612 -3.261 1.00 11.08 C ATOM 242 CG LEU A 15 1.538 -6.308 -2.621 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.398 -4.826 -2.179 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.397 -6.668 -3.494 1.00 15.27 C ATOM 0 H LEU A 15 3.340 -8.290 -1.298 1.00 8.29 H new ATOM 0 HA LEU A 15 2.625 -8.638 -4.114 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.676 -6.114 -2.683 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.919 -6.180 -4.262 1.00 11.08 H new ATOM 0 HG LEU A 15 1.506 -6.939 -1.733 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.416 -4.671 -1.733 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.170 -4.590 -1.447 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.510 -4.175 -3.046 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.538 -6.430 -2.987 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.459 -6.104 -4.425 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.429 -7.735 -3.713 1.00 15.27 H new ATOM 256 N GLU A 16 4.987 -8.485 -5.012 1.00 11.04 N ATOM 257 CA GLU A 16 6.285 -8.350 -5.627 1.00 11.50 C ATOM 258 C GLU A 16 6.491 -7.008 -6.285 1.00 10.13 C ATOM 259 O GLU A 16 5.909 -6.676 -7.302 1.00 9.83 O ATOM 260 CB GLU A 16 6.453 -9.447 -6.696 1.00 17.22 C ATOM 261 CG GLU A 16 7.801 -9.540 -7.462 1.00 23.33 C ATOM 262 CD GLU A 16 9.092 -9.600 -6.745 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.473 -10.708 -6.231 1.00 28.90 O ATOM 264 OE2 GLU A 16 9.907 -8.612 -6.737 1.00 28.86 O ATOM 0 H GLU A 16 4.273 -8.807 -5.665 1.00 11.04 H new ATOM 0 HA GLU A 16 7.024 -8.445 -4.832 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.280 -10.409 -6.213 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.662 -9.314 -7.434 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.747 -10.427 -8.093 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.848 -8.678 -8.128 1.00 23.33 H new ATOM 271 N VAL A 17 7.305 -6.159 -5.711 1.00 8.99 N ATOM 272 CA VAL A 17 7.314 -4.762 -6.060 1.00 8.85 C ATOM 273 C VAL A 17 8.737 -4.333 -6.130 1.00 8.04 C ATOM 274 O VAL A 17 9.636 -4.802 -5.408 1.00 8.99 O ATOM 275 CB VAL A 17 6.569 -3.833 -5.063 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.042 -4.258 -5.001 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.177 -3.917 -3.658 1.00 10.54 C ATOM 0 H VAL A 17 7.979 -6.416 -4.990 1.00 8.99 H new ATOM 0 HA VAL A 17 6.782 -4.667 -7.007 1.00 8.85 H new ATOM 0 HB VAL A 17 6.665 -2.805 -5.413 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.512 -3.610 -4.303 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.598 -4.164 -5.992 1.00 12.05 H new ATOM 0 HG13 VAL A 17 4.966 -5.292 -4.666 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.632 -3.255 -2.985 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.108 -4.942 -3.293 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.224 -3.615 -3.696 1.00 10.54 H new ATOM 287 N GLU A 18 9.010 -3.425 -7.000 1.00 7.29 N ATOM 288 CA GLU A 18 10.356 -2.847 -6.966 1.00 7.08 C ATOM 289 C GLU A 18 10.404 -1.602 -6.070 1.00 6.45 C ATOM 290 O GLU A 18 9.390 -0.907 -5.996 1.00 5.28 O ATOM 291 CB GLU A 18 10.843 -2.493 -8.418 1.00 10.28 C ATOM 292 CG GLU A 18 10.919 -3.746 -9.338 1.00 12.65 C ATOM 293 CD GLU A 18 12.087 -4.681 -9.040 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.214 -4.121 -8.971 1.00 18.17 O ATOM 295 OE2 GLU A 18 11.959 -5.966 -8.957 1.00 14.33 O ATOM 0 H GLU A 18 8.378 -3.066 -7.715 1.00 7.29 H new ATOM 0 HA GLU A 18 11.028 -3.594 -6.544 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.164 -1.762 -8.858 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.825 -2.024 -8.365 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.989 -4.306 -9.245 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.990 -3.416 -10.374 1.00 12.65 H new ATOM 302 N PRO A 19 11.457 -1.245 -5.419 1.00 7.24 N ATOM 303 CA PRO A 19 11.491 0.001 -4.632 1.00 7.07 C ATOM 304 C PRO A 19 11.369 1.229 -5.465 1.00 6.65 C ATOM 305 O PRO A 19 10.938 2.294 -4.936 1.00 6.37 O ATOM 306 CB PRO A 19 12.816 -0.180 -3.856 1.00 7.61 C ATOM 307 CG PRO A 19 13.753 -0.949 -4.789 1.00 8.16 C ATOM 308 CD PRO A 19 12.785 -1.919 -5.438 1.00 7.49 C ATOM 0 HA PRO A 19 10.643 0.156 -3.965 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.243 0.785 -3.584 1.00 7.61 H new ATOM 0 HB3 PRO A 19 12.653 -0.729 -2.929 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.235 -0.297 -5.518 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.547 -1.461 -4.245 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.090 -2.152 -6.458 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.752 -2.862 -4.892 1.00 7.49 H new ATOM 316 N SER A 20 11.634 1.159 -6.773 1.00 6.80 N ATOM 317 CA SER A 20 11.306 2.313 -7.629 1.00 6.28 C ATOM 318 C SER A 20 9.887 2.244 -8.121 1.00 8.45 C ATOM 319 O SER A 20 9.349 3.265 -8.627 1.00 7.26 O ATOM 320 CB SER A 20 12.137 2.398 -8.920 1.00 8.57 C ATOM 321 OG SER A 20 12.180 1.115 -9.569 1.00 11.13 O ATOM 0 H SER A 20 12.054 0.360 -7.249 1.00 6.80 H new ATOM 0 HA SER A 20 11.506 3.167 -6.982 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.704 3.139 -9.592 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.149 2.731 -8.688 1.00 8.57 H new ATOM 0 HG SER A 20 12.710 1.182 -10.391 1.00 11.13 H new ATOM 327 N ASP A 21 9.075 1.239 -7.907 1.00 7.50 N ATOM 328 CA ASP A 21 7.624 1.274 -8.213 1.00 7.70 C ATOM 329 C ASP A 21 6.845 2.309 -7.388 1.00 7.08 C ATOM 330 O ASP A 21 7.084 2.504 -6.187 1.00 8.11 O ATOM 331 CB ASP A 21 7.041 -0.167 -8.071 1.00 11.00 C ATOM 332 CG ASP A 21 7.497 -1.068 -9.124 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.897 -0.652 -10.275 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.316 -2.301 -8.961 1.00 14.36 O ATOM 0 H ASP A 21 9.385 0.352 -7.511 1.00 7.50 H new ATOM 0 HA ASP A 21 7.504 1.611 -9.243 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.326 -0.575 -7.101 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.952 -0.117 -8.088 1.00 11.00 H new ATOM 339 N THR A 22 5.872 2.961 -8.000 1.00 5.37 N ATOM 340 CA THR A 22 5.173 4.062 -7.324 1.00 6.01 C ATOM 341 C THR A 22 4.170 3.477 -6.423 1.00 8.01 C ATOM 342 O THR A 22 3.740 2.351 -6.569 1.00 8.11 O ATOM 343 CB THR A 22 4.459 5.093 -8.244 1.00 8.92 C ATOM 344 OG1 THR A 22 3.425 4.564 -9.051 1.00 10.22 O ATOM 345 CG2 THR A 22 5.484 5.768 -9.257 1.00 9.65 C ATOM 0 H THR A 22 5.546 2.760 -8.945 1.00 5.37 H new ATOM 0 HA THR A 22 5.951 4.628 -6.812 1.00 6.01 H new ATOM 0 HB THR A 22 4.030 5.800 -7.534 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.033 5.281 -9.592 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.955 6.484 -9.887 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.263 6.284 -8.696 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.937 4.999 -9.883 1.00 9.65 H new ATOM 353 N ILE A 23 3.753 4.276 -5.418 1.00 8.32 N ATOM 354 CA ILE A 23 2.747 3.895 -4.505 1.00 9.92 C ATOM 355 C ILE A 23 1.344 3.723 -5.099 1.00 10.01 C ATOM 356 O ILE A 23 0.653 2.840 -4.717 1.00 8.71 O ATOM 357 CB ILE A 23 2.633 4.892 -3.364 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.966 5.133 -2.566 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.603 4.452 -2.337 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.741 3.941 -2.066 1.00 12.30 C ATOM 0 H ILE A 23 4.133 5.207 -5.248 1.00 8.32 H new ATOM 0 HA ILE A 23 3.081 2.915 -4.164 1.00 9.92 H new ATOM 0 HB ILE A 23 2.347 5.815 -3.868 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.631 5.715 -3.204 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.726 5.755 -1.704 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.549 5.190 -1.536 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.627 4.364 -2.815 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.892 3.487 -1.922 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.632 4.282 -1.538 1.00 12.30 H new ATOM 0 HD12 ILE A 23 4.117 3.360 -1.387 1.00 12.30 H new ATOM 0 HD13 ILE A 23 5.036 3.318 -2.911 1.00 12.30 H new ATOM 372 N GLU A 24 1.015 4.465 -6.119 1.00 9.54 N ATOM 373 CA GLU A 24 -0.175 4.230 -6.937 1.00 11.81 C ATOM 374 C GLU A 24 -0.028 2.885 -7.580 1.00 11.14 C ATOM 375 O GLU A 24 -0.976 2.145 -7.614 1.00 10.62 O ATOM 376 CB GLU A 24 -0.411 5.319 -8.040 1.00 19.24 C ATOM 377 CG GLU A 24 -1.654 5.220 -8.966 1.00 27.76 C ATOM 378 CD GLU A 24 -1.593 6.132 -10.183 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.535 6.148 -10.901 1.00 36.51 O ATOM 380 OE2 GLU A 24 -2.567 6.934 -10.341 1.00 34.80 O ATOM 0 H GLU A 24 1.566 5.268 -6.423 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.045 4.279 -6.282 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.455 6.286 -7.539 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.471 5.331 -8.680 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.763 4.189 -9.302 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.546 5.462 -8.388 1.00 27.76 H new ATOM 387 N ASN A 25 1.120 2.589 -8.146 1.00 9.43 N ATOM 388 CA ASN A 25 1.347 1.306 -8.726 1.00 10.96 C ATOM 389 C ASN A 25 1.198 0.142 -7.767 1.00 9.68 C ATOM 390 O ASN A 25 0.561 -0.805 -8.057 1.00 9.33 O ATOM 391 CB ASN A 25 2.716 1.263 -9.432 1.00 16.78 C ATOM 392 CG ASN A 25 2.773 0.059 -10.391 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.139 -1.025 -9.942 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.327 0.292 -11.598 1.00 24.70 N ATOM 0 H ASN A 25 1.910 3.231 -8.212 1.00 9.43 H new ATOM 0 HA ASN A 25 0.551 1.175 -9.459 1.00 10.96 H new ATOM 0 HB2 ASN A 25 2.879 2.188 -9.985 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.514 1.189 -8.693 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.257 -0.470 -12.272 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.049 1.236 -11.866 1.00 24.70 H new ATOM 401 N VAL A 26 1.796 0.256 -6.538 1.00 6.52 N ATOM 402 CA VAL A 26 1.666 -0.692 -5.454 1.00 5.53 C ATOM 403 C VAL A 26 0.210 -0.797 -5.040 1.00 4.42 C ATOM 404 O VAL A 26 -0.213 -1.936 -4.750 1.00 3.40 O ATOM 405 CB VAL A 26 2.562 -0.310 -4.230 1.00 3.86 C ATOM 406 CG1 VAL A 26 2.444 -1.324 -3.087 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.984 -0.392 -4.780 1.00 8.12 C ATOM 0 H VAL A 26 2.394 1.047 -6.299 1.00 6.52 H new ATOM 0 HA VAL A 26 2.013 -1.662 -5.811 1.00 5.53 H new ATOM 0 HB VAL A 26 2.277 0.662 -3.828 1.00 3.86 H new ATOM 0 HG11 VAL A 26 3.084 -1.016 -2.260 1.00 7.25 H new ATOM 0 HG12 VAL A 26 1.409 -1.371 -2.747 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.755 -2.307 -3.440 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.694 -0.140 -3.992 1.00 8.12 H new ATOM 0 HG22 VAL A 26 4.179 -1.404 -5.134 1.00 8.12 H new ATOM 0 HG23 VAL A 26 4.095 0.309 -5.607 1.00 8.12 H new ATOM 417 N LYS A 27 -0.649 0.255 -4.975 1.00 2.64 N ATOM 418 CA LYS A 27 -2.113 0.060 -4.749 1.00 4.14 C ATOM 419 C LYS A 27 -2.840 -0.565 -5.914 1.00 5.58 C ATOM 420 O LYS A 27 -3.791 -1.271 -5.710 1.00 4.11 O ATOM 421 CB LYS A 27 -2.799 1.391 -4.294 1.00 3.97 C ATOM 422 CG LYS A 27 -2.185 1.805 -2.951 1.00 7.45 C ATOM 423 CD LYS A 27 -2.992 2.961 -2.340 1.00 9.02 C ATOM 424 CE LYS A 27 -2.768 4.237 -3.050 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.835 5.294 -2.841 1.00 15.47 N ATOM 0 H LYS A 27 -0.364 1.229 -5.073 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.189 -0.666 -3.939 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.648 2.172 -5.039 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -3.875 1.250 -4.194 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.176 0.955 -2.268 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.148 2.110 -3.094 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.053 2.714 -2.367 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -2.718 3.078 -1.291 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -1.809 4.646 -2.733 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.690 4.030 -4.117 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.819 5.965 -3.635 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.769 4.839 -2.791 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -3.650 5.803 -1.953 1.00 15.47 H new ATOM 439 N ALA A 28 -2.484 -0.295 -7.223 1.00 6.61 N ATOM 440 CA ALA A 28 -3.055 -0.904 -8.452 1.00 7.74 C ATOM 441 C ALA A 28 -2.855 -2.446 -8.407 1.00 9.17 C ATOM 442 O ALA A 28 -3.740 -3.208 -8.790 1.00 11.45 O ATOM 443 CB ALA A 28 -2.507 -0.211 -9.684 1.00 7.68 C ATOM 0 H ALA A 28 -1.757 0.386 -7.441 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.133 -0.751 -8.506 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.933 -0.667 -10.578 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.771 0.846 -9.655 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.422 -0.313 -9.707 1.00 7.68 H new ATOM 449 N LYS A 29 -1.654 -2.902 -7.909 1.00 8.96 N ATOM 450 CA LYS A 29 -1.299 -4.331 -7.740 1.00 7.90 C ATOM 451 C LYS A 29 -2.149 -4.949 -6.637 1.00 6.92 C ATOM 452 O LYS A 29 -2.604 -6.033 -6.769 1.00 6.87 O ATOM 453 CB LYS A 29 0.215 -4.454 -7.589 1.00 10.28 C ATOM 454 CG LYS A 29 0.787 -5.887 -7.459 1.00 14.94 C ATOM 455 CD LYS A 29 2.288 -5.886 -7.593 1.00 19.69 C ATOM 456 CE LYS A 29 2.839 -5.827 -9.036 1.00 22.63 C ATOM 457 NZ LYS A 29 4.290 -5.570 -9.076 1.00 24.98 N ATOM 0 H LYS A 29 -0.909 -2.270 -7.616 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.541 -4.925 -8.621 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.683 -3.978 -8.451 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.516 -3.886 -6.709 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.505 -6.308 -6.494 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.351 -6.527 -8.226 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.682 -5.033 -7.040 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.676 -6.784 -7.113 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.626 -6.769 -9.542 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.319 -5.044 -9.588 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.679 -5.914 -9.977 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.464 -4.548 -8.992 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.752 -6.066 -8.287 1.00 24.98 H new ATOM 471 N ILE A 30 -2.436 -4.247 -5.506 1.00 4.57 N ATOM 472 CA ILE A 30 -3.393 -4.694 -4.426 1.00 5.58 C ATOM 473 C ILE A 30 -4.806 -4.776 -5.037 1.00 7.26 C ATOM 474 O ILE A 30 -5.605 -5.631 -4.674 1.00 9.46 O ATOM 475 CB ILE A 30 -3.402 -3.813 -3.234 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.021 -3.824 -2.499 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.466 -4.529 -2.266 1.00 2.78 C ATOM 478 CD1 ILE A 30 -1.995 -2.665 -1.460 1.00 2.00 C ATOM 0 H ILE A 30 -2.010 -3.342 -5.306 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.057 -5.667 -4.069 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.626 -2.780 -3.499 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -1.867 -4.781 -2.000 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.210 -3.705 -3.218 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.557 -3.960 -1.341 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.436 -4.574 -2.761 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.128 -5.540 -2.038 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.036 -2.663 -0.941 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.132 -1.713 -1.973 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.798 -2.806 -0.737 1.00 2.00 H new ATOM 490 N GLN A 31 -5.249 -3.922 -5.957 1.00 7.06 N ATOM 491 CA GLN A 31 -6.550 -4.027 -6.627 1.00 8.67 C ATOM 492 C GLN A 31 -6.619 -5.191 -7.547 1.00 10.90 C ATOM 493 O GLN A 31 -7.515 -6.013 -7.542 1.00 9.63 O ATOM 494 CB GLN A 31 -6.899 -2.741 -7.484 1.00 9.12 C ATOM 495 CG GLN A 31 -8.227 -2.894 -8.305 1.00 10.76 C ATOM 496 CD GLN A 31 -8.601 -1.527 -8.918 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.704 -1.018 -8.681 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.802 -0.973 -9.818 1.00 14.76 N ATOM 0 H GLN A 31 -4.703 -3.118 -6.267 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.267 -4.142 -5.814 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.986 -1.881 -6.820 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -6.077 -2.533 -8.169 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.099 -3.637 -9.092 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -9.030 -3.249 -7.659 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.892 -1.389 -10.017 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -8.097 -0.131 -10.312 1.00 14.76 H new ATOM 507 N ASP A 32 -5.541 -5.455 -8.352 1.00 10.93 N ATOM 508 CA ASP A 32 -5.305 -6.594 -9.254 1.00 14.01 C ATOM 509 C ASP A 32 -5.327 -7.991 -8.423 1.00 14.04 C ATOM 510 O ASP A 32 -5.984 -8.957 -8.817 1.00 13.39 O ATOM 511 CB ASP A 32 -4.121 -6.368 -10.210 1.00 18.01 C ATOM 512 CG ASP A 32 -4.242 -7.322 -11.345 1.00 24.33 C ATOM 513 OD1 ASP A 32 -5.169 -7.120 -12.161 1.00 26.29 O ATOM 514 OD2 ASP A 32 -3.339 -8.226 -11.456 1.00 25.17 O ATOM 0 H ASP A 32 -4.753 -4.807 -8.376 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.136 -6.680 -9.955 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -4.121 -5.341 -10.576 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.177 -6.520 -9.686 1.00 18.01 H new ATOM 519 N LYS A 33 -4.737 -8.011 -7.213 1.00 14.22 N ATOM 520 CA LYS A 33 -4.914 -9.027 -6.216 1.00 14.00 C ATOM 521 C LYS A 33 -6.267 -9.177 -5.608 1.00 12.37 C ATOM 522 O LYS A 33 -6.755 -10.300 -5.561 1.00 12.17 O ATOM 523 CB LYS A 33 -3.888 -8.894 -5.026 1.00 18.62 C ATOM 524 CG LYS A 33 -2.507 -9.117 -5.576 1.00 24.00 C ATOM 525 CD LYS A 33 -2.114 -10.546 -5.911 1.00 27.61 C ATOM 526 CE LYS A 33 -0.608 -10.865 -5.956 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.542 -12.311 -6.131 1.00 30.06 N ATOM 0 H LYS A 33 -4.098 -7.275 -6.912 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.742 -9.919 -6.818 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -3.961 -7.907 -4.568 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.111 -9.624 -4.248 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.403 -8.517 -6.480 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -1.789 -8.730 -4.853 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.578 -11.206 -5.178 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.542 -10.796 -6.881 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.117 -10.344 -6.778 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.110 -10.554 -5.038 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.453 -12.611 -6.171 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.012 -12.779 -5.330 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.020 -12.576 -7.016 1.00 30.06 H new ATOM 541 N GLU A 34 -6.909 -8.181 -5.158 1.00 10.11 N ATOM 542 CA GLU A 34 -8.052 -8.394 -4.225 1.00 10.07 C ATOM 543 C GLU A 34 -9.243 -7.540 -4.422 1.00 9.32 C ATOM 544 O GLU A 34 -10.167 -7.513 -3.612 1.00 11.61 O ATOM 545 CB GLU A 34 -7.636 -8.322 -2.786 1.00 14.77 C ATOM 546 CG GLU A 34 -6.701 -9.456 -2.216 1.00 18.75 C ATOM 547 CD GLU A 34 -7.341 -10.870 -2.116 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.600 -10.844 -1.972 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.645 -11.885 -1.905 1.00 25.19 O ATOM 0 H GLU A 34 -6.708 -7.207 -5.384 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.366 -9.404 -4.489 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.131 -7.368 -2.634 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.542 -8.303 -2.180 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.815 -9.522 -2.847 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.364 -9.159 -1.223 1.00 18.75 H new ATOM 556 N GLY A 35 -9.371 -6.774 -5.561 1.00 7.22 N ATOM 557 CA GLY A 35 -10.598 -6.119 -5.915 1.00 6.29 C ATOM 558 C GLY A 35 -11.036 -4.941 -5.101 1.00 6.93 C ATOM 559 O GLY A 35 -12.198 -4.643 -4.904 1.00 7.41 O ATOM 0 H GLY A 35 -8.612 -6.620 -6.225 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.514 -5.793 -6.952 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.394 -6.863 -5.878 1.00 6.29 H new ATOM 563 N ILE A 36 -10.046 -4.289 -4.498 1.00 5.86 N ATOM 564 CA ILE A 36 -10.326 -3.128 -3.630 1.00 6.07 C ATOM 565 C ILE A 36 -9.954 -1.916 -4.461 1.00 6.36 C ATOM 566 O ILE A 36 -8.803 -1.858 -4.957 1.00 6.18 O ATOM 567 CB ILE A 36 -9.462 -3.187 -2.387 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.360 -4.652 -1.857 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.035 -2.241 -1.301 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.960 -4.713 -0.360 1.00 9.49 C ATOM 0 H ILE A 36 -9.059 -4.531 -4.585 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.366 -3.101 -3.304 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.455 -2.854 -2.640 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.318 -5.153 -1.995 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -8.626 -5.199 -2.449 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.409 -2.288 -0.410 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.050 -1.219 -1.680 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.049 -2.549 -1.048 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.903 -5.754 -0.041 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.989 -4.238 -0.223 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.707 -4.191 0.238 1.00 9.49 H new ATOM 582 N PRO A 37 -10.795 -0.879 -4.608 1.00 8.65 N ATOM 583 CA PRO A 37 -10.458 0.371 -5.290 1.00 9.18 C ATOM 584 C PRO A 37 -9.176 1.111 -4.781 1.00 9.85 C ATOM 585 O PRO A 37 -9.158 1.320 -3.581 1.00 8.51 O ATOM 586 CB PRO A 37 -11.755 1.242 -5.114 1.00 11.42 C ATOM 587 CG PRO A 37 -12.899 0.235 -4.996 1.00 9.27 C ATOM 588 CD PRO A 37 -12.189 -0.867 -4.114 1.00 8.33 C ATOM 0 HA PRO A 37 -10.187 0.173 -6.327 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.690 1.871 -4.226 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.902 1.907 -5.965 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.779 0.656 -4.511 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.221 -0.148 -5.964 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.234 -0.619 -3.053 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.663 -1.841 -4.234 1.00 8.33 H new ATOM 596 N PRO A 38 -8.188 1.539 -5.532 1.00 8.71 N ATOM 597 CA PRO A 38 -7.013 2.191 -5.018 1.00 9.08 C ATOM 598 C PRO A 38 -7.145 3.572 -4.418 1.00 9.28 C ATOM 599 O PRO A 38 -6.340 3.949 -3.585 1.00 6.50 O ATOM 600 CB PRO A 38 -5.990 2.134 -6.246 1.00 10.31 C ATOM 601 CG PRO A 38 -6.905 2.149 -7.446 1.00 10.81 C ATOM 602 CD PRO A 38 -8.150 1.381 -6.942 1.00 12.00 C ATOM 0 HA PRO A 38 -6.687 1.667 -4.120 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.310 2.986 -6.246 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.375 1.235 -6.218 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -7.154 3.165 -7.752 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -6.450 1.660 -8.307 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -9.058 1.774 -7.399 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -8.089 0.327 -7.211 1.00 12.00 H new ATOM 610 N ASP A 39 -8.169 4.298 -4.929 1.00 11.20 N ATOM 611 CA ASP A 39 -8.619 5.572 -4.336 1.00 14.96 C ATOM 612 C ASP A 39 -9.052 5.502 -2.847 1.00 13.99 C ATOM 613 O ASP A 39 -8.682 6.362 -2.039 1.00 13.75 O ATOM 614 CB ASP A 39 -9.807 6.216 -5.079 1.00 24.16 C ATOM 615 CG ASP A 39 -9.305 6.709 -6.405 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.038 5.857 -7.321 1.00 35.55 O ATOM 617 OD2 ASP A 39 -9.218 7.940 -6.549 1.00 34.22 O ATOM 0 H ASP A 39 -8.698 4.017 -5.755 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.712 6.170 -4.428 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.608 5.491 -5.219 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.221 7.039 -4.497 1.00 24.16 H new ATOM 622 N GLN A 40 -9.816 4.463 -2.534 1.00 11.60 N ATOM 623 CA GLN A 40 -10.259 4.072 -1.217 1.00 10.76 C ATOM 624 C GLN A 40 -9.103 3.521 -0.339 1.00 8.01 C ATOM 625 O GLN A 40 -8.992 3.816 0.850 1.00 8.96 O ATOM 626 CB GLN A 40 -11.332 3.018 -1.542 1.00 11.14 C ATOM 627 CG GLN A 40 -11.931 2.337 -0.293 1.00 14.85 C ATOM 628 CD GLN A 40 -13.113 1.392 -0.571 1.00 16.11 C ATOM 629 OE1 GLN A 40 -12.951 0.192 -0.252 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.219 1.845 -1.095 1.00 18.16 N ATOM 0 H GLN A 40 -10.164 3.829 -3.254 1.00 11.60 H new ATOM 0 HA GLN A 40 -10.640 4.899 -0.617 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.135 3.492 -2.107 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -10.896 2.255 -2.187 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -11.144 1.773 0.207 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.259 3.110 0.402 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.301 2.832 -1.338 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.001 1.212 -1.262 1.00 18.16 H new ATOM 639 N GLN A 41 -8.226 2.733 -0.984 1.00 6.52 N ATOM 640 CA GLN A 41 -7.089 2.195 -0.331 1.00 3.87 C ATOM 641 C GLN A 41 -6.074 3.171 0.330 1.00 4.79 C ATOM 642 O GLN A 41 -5.345 3.832 -0.397 1.00 6.34 O ATOM 643 CB GLN A 41 -6.244 1.291 -1.244 1.00 4.20 C ATOM 644 CG GLN A 41 -6.907 -0.014 -1.672 1.00 3.20 C ATOM 645 CD GLN A 41 -5.891 -0.767 -2.517 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.704 -0.725 -2.144 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.259 -1.421 -3.617 1.00 7.13 N ATOM 0 H GLN A 41 -8.311 2.470 -1.966 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.598 1.661 0.471 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.979 1.854 -2.139 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.313 1.053 -0.730 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.199 -0.603 -0.802 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.815 0.183 -2.243 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.240 -1.437 -3.897 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.560 -1.906 -4.180 1.00 7.13 H new ATOM 656 N ARG A 42 -5.886 3.226 1.674 1.00 5.73 N ATOM 657 CA ARG A 42 -4.767 3.888 2.280 1.00 6.97 C ATOM 658 C ARG A 42 -3.798 2.948 3.065 1.00 7.15 C ATOM 659 O ARG A 42 -4.133 2.332 4.109 1.00 7.33 O ATOM 660 CB ARG A 42 -5.328 4.868 3.326 1.00 13.23 C ATOM 661 CG ARG A 42 -6.198 5.983 2.715 1.00 21.27 C ATOM 662 CD ARG A 42 -6.441 7.073 3.710 1.00 26.14 C ATOM 663 NE ARG A 42 -7.135 8.275 3.187 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.621 9.215 4.011 1.00 34.32 C ATOM 665 NH1 ARG A 42 -7.552 9.143 5.288 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.261 10.221 3.438 1.00 36.39 N ATOM 0 H ARG A 42 -6.525 2.802 2.346 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.205 4.345 1.466 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -5.920 4.312 4.053 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.499 5.321 3.870 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.705 6.393 1.833 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.150 5.568 2.384 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.029 6.665 4.532 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.482 7.381 4.126 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.245 8.389 2.179 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -7.109 8.338 5.730 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -7.941 9.891 5.863 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.362 10.250 2.423 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.654 10.968 4.011 1.00 36.39 H new ATOM 680 N LEU A 43 -2.551 2.762 2.659 1.00 4.65 N ATOM 681 CA LEU A 43 -1.554 2.051 3.378 1.00 3.51 C ATOM 682 C LEU A 43 -0.794 2.895 4.368 1.00 5.56 C ATOM 683 O LEU A 43 -0.156 3.919 4.049 1.00 4.19 O ATOM 684 CB LEU A 43 -0.440 1.501 2.426 1.00 3.74 C ATOM 685 CG LEU A 43 -0.950 0.825 1.130 1.00 6.32 C ATOM 686 CD1 LEU A 43 0.123 0.437 0.102 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.693 -0.488 1.538 1.00 6.41 C ATOM 0 H LEU A 43 -2.209 3.130 1.771 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.121 1.269 3.883 1.00 3.51 H new ATOM 0 HB2 LEU A 43 0.219 2.325 2.151 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.163 0.781 2.978 1.00 3.74 H new ATOM 0 HG LEU A 43 -1.578 1.571 0.643 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.352 -0.027 -0.762 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.662 1.330 -0.216 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.822 -0.267 0.554 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.065 -0.988 0.644 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.003 -1.149 2.063 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.530 -0.244 2.192 1.00 6.41 H new ATOM 699 N ILE A 44 -0.780 2.483 5.628 1.00 4.58 N ATOM 700 CA ILE A 44 -0.382 3.213 6.772 1.00 5.55 C ATOM 701 C ILE A 44 0.933 2.489 7.263 1.00 5.46 C ATOM 702 O ILE A 44 0.849 1.302 7.623 1.00 6.04 O ATOM 703 CB ILE A 44 -1.500 3.209 7.797 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.857 3.711 7.259 1.00 10.31 C ATOM 705 CG2 ILE A 44 -1.025 3.855 9.091 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.786 5.185 6.872 1.00 13.90 C ATOM 0 H ILE A 44 -1.079 1.539 5.872 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.181 4.267 6.580 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.734 2.172 8.037 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.149 3.118 6.392 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.627 3.568 8.017 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.835 3.847 9.820 1.00 7.39 H new ATOM 0 HG22 ILE A 44 -0.176 3.297 9.486 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.724 4.884 8.895 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.756 5.510 6.497 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.518 5.778 7.746 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.033 5.322 6.096 1.00 13.90 H new ATOM 718 N PHE A 45 2.065 3.213 7.329 1.00 6.75 N ATOM 719 CA PHE A 45 3.312 2.597 7.696 1.00 4.70 C ATOM 720 C PHE A 45 4.043 3.801 8.270 1.00 6.34 C ATOM 721 O PHE A 45 3.875 4.935 7.768 1.00 5.45 O ATOM 722 CB PHE A 45 3.977 1.897 6.417 1.00 5.51 C ATOM 723 CG PHE A 45 5.359 1.466 6.766 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.570 0.336 7.567 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.442 2.292 6.340 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.867 -0.071 7.858 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.739 1.887 6.665 1.00 6.64 C ATOM 728 CZ PHE A 45 7.955 0.689 7.398 1.00 6.84 C ATOM 0 H PHE A 45 2.122 4.212 7.132 1.00 6.75 H new ATOM 0 HA PHE A 45 3.282 1.772 8.408 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.382 1.039 6.105 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.000 2.591 5.577 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.728 -0.217 7.957 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.265 3.201 5.784 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.037 -0.968 8.435 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.582 2.488 6.357 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.963 0.360 7.603 1.00 6.84 H new ATOM 738 N ALA A 46 4.851 3.555 9.334 1.00 6.53 N ATOM 739 CA ALA A 46 5.678 4.511 10.010 1.00 7.15 C ATOM 740 C ALA A 46 5.097 5.814 10.469 1.00 9.00 C ATOM 741 O ALA A 46 5.675 6.906 10.455 1.00 11.15 O ATOM 742 CB ALA A 46 6.957 4.841 9.144 1.00 8.99 C ATOM 0 H ALA A 46 4.926 2.624 9.743 1.00 6.53 H new ATOM 0 HA ALA A 46 5.879 3.976 10.938 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.575 5.568 9.670 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.530 3.929 8.980 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.649 5.254 8.183 1.00 8.99 H new ATOM 748 N GLY A 47 3.849 5.744 10.971 1.00 9.35 N ATOM 749 CA GLY A 47 3.119 6.858 11.542 1.00 11.68 C ATOM 750 C GLY A 47 2.506 7.816 10.557 1.00 11.14 C ATOM 751 O GLY A 47 1.961 8.855 10.887 1.00 13.93 O ATOM 0 H GLY A 47 3.316 4.874 10.984 1.00 9.35 H new ATOM 0 HA2 GLY A 47 2.326 6.461 12.175 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.795 7.416 12.190 1.00 11.68 H new ATOM 755 N LYS A 48 2.516 7.483 9.289 1.00 10.47 N ATOM 756 CA LYS A 48 2.088 8.278 8.163 1.00 8.82 C ATOM 757 C LYS A 48 1.406 7.408 7.130 1.00 7.68 C ATOM 758 O LYS A 48 1.385 6.166 7.273 1.00 6.47 O ATOM 759 CB LYS A 48 3.234 9.088 7.552 1.00 9.74 C ATOM 760 CG LYS A 48 4.435 8.354 6.911 1.00 14.14 C ATOM 761 CD LYS A 48 5.725 9.162 6.760 1.00 16.32 C ATOM 762 CE LYS A 48 6.551 9.239 8.037 1.00 20.04 C ATOM 763 NZ LYS A 48 7.748 10.129 7.810 1.00 23.92 N ATOM 0 H LYS A 48 2.854 6.567 8.993 1.00 10.47 H new ATOM 0 HA LYS A 48 1.364 9.005 8.531 1.00 8.82 H new ATOM 0 HB2 LYS A 48 2.804 9.736 6.789 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.628 9.736 8.335 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.654 7.470 7.510 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.134 8.004 5.924 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.332 8.717 5.971 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.475 10.173 6.438 1.00 16.32 H new ATOM 0 HE2 LYS A 48 5.943 9.630 8.853 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.877 8.242 8.332 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.312 10.181 8.682 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.332 9.737 7.043 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.427 11.083 7.548 1.00 23.92 H new ATOM 777 N GLN A 49 0.827 8.018 6.075 1.00 8.89 N ATOM 778 CA GLN A 49 0.138 7.397 5.010 1.00 7.18 C ATOM 779 C GLN A 49 0.945 7.426 3.684 1.00 8.23 C ATOM 780 O GLN A 49 1.487 8.480 3.306 1.00 9.70 O ATOM 781 CB GLN A 49 -1.202 8.164 4.758 1.00 11.67 C ATOM 782 CG GLN A 49 -2.073 7.352 3.758 1.00 15.82 C ATOM 783 CD GLN A 49 -2.867 8.243 2.835 1.00 20.21 C ATOM 784 OE1 GLN A 49 -2.952 8.036 1.611 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.555 9.217 3.359 1.00 20.67 N ATOM 0 H GLN A 49 0.851 9.033 5.972 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.027 6.358 5.296 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.738 8.303 5.697 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -0.997 9.157 4.358 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.430 6.700 3.166 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.755 6.708 4.313 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.497 9.401 4.361 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.151 9.796 2.768 1.00 20.67 H new ATOM 794 N LEU A 50 1.133 6.296 3.035 1.00 6.51 N ATOM 795 CA LEU A 50 1.977 6.224 1.889 1.00 7.41 C ATOM 796 C LEU A 50 1.352 6.963 0.665 1.00 8.27 C ATOM 797 O LEU A 50 0.343 6.469 0.139 1.00 8.34 O ATOM 798 CB LEU A 50 2.266 4.679 1.691 1.00 7.13 C ATOM 799 CG LEU A 50 2.936 3.856 2.804 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.336 2.487 2.362 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.216 4.533 3.318 1.00 9.11 C ATOM 0 H LEU A 50 0.700 5.410 3.296 1.00 6.51 H new ATOM 0 HA LEU A 50 2.923 6.751 2.012 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.312 4.200 1.468 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.888 4.581 0.801 1.00 7.13 H new ATOM 0 HG LEU A 50 2.178 3.789 3.585 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.803 1.958 3.193 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.453 1.939 2.033 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.044 2.563 1.537 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.661 3.922 4.103 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.925 4.641 2.497 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.972 5.517 3.719 1.00 9.11 H new ATOM 813 N GLU A 51 1.862 8.172 0.252 1.00 9.43 N ATOM 814 CA GLU A 51 1.248 8.912 -0.842 1.00 11.90 C ATOM 815 C GLU A 51 1.535 8.321 -2.214 1.00 11.49 C ATOM 816 O GLU A 51 2.653 7.975 -2.594 1.00 9.88 O ATOM 817 CB GLU A 51 1.671 10.429 -0.805 1.00 16.56 C ATOM 818 CG GLU A 51 1.234 11.316 -2.035 1.00 26.06 C ATOM 819 CD GLU A 51 1.556 12.793 -1.787 1.00 29.86 C ATOM 820 OE1 GLU A 51 0.643 13.462 -1.235 1.00 32.13 O ATOM 821 OE2 GLU A 51 2.654 13.240 -2.239 1.00 33.44 O ATOM 0 H GLU A 51 2.678 8.623 0.666 1.00 9.43 H new ATOM 0 HA GLU A 51 0.172 8.831 -0.686 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.259 10.875 0.100 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.756 10.478 -0.719 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.746 10.974 -2.935 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.165 11.198 -2.212 1.00 26.06 H new ATOM 828 N ASP A 52 0.461 8.187 -3.028 1.00 12.71 N ATOM 829 CA ASP A 52 0.377 7.720 -4.357 1.00 16.56 C ATOM 830 C ASP A 52 1.394 8.097 -5.364 1.00 15.83 C ATOM 831 O ASP A 52 2.049 7.240 -5.945 1.00 17.21 O ATOM 832 CB ASP A 52 -0.976 8.096 -4.905 1.00 21.05 C ATOM 833 CG ASP A 52 -2.124 7.699 -4.013 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.284 8.066 -2.834 1.00 25.82 O ATOM 835 OD2 ASP A 52 -3.046 7.040 -4.617 1.00 28.37 O ATOM 0 H ASP A 52 -0.464 8.448 -2.686 1.00 12.71 H new ATOM 0 HA ASP A 52 0.569 6.655 -4.227 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.007 9.174 -5.064 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.106 7.627 -5.880 1.00 21.05 H new ATOM 840 N GLY A 53 1.700 9.431 -5.397 1.00 15.00 N ATOM 841 CA GLY A 53 2.535 10.023 -6.455 1.00 11.77 C ATOM 842 C GLY A 53 4.015 10.041 -6.018 1.00 11.10 C ATOM 843 O GLY A 53 4.769 10.880 -6.508 1.00 11.25 O ATOM 0 H GLY A 53 1.375 10.101 -4.700 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.427 9.451 -7.376 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.199 11.038 -6.669 1.00 11.77 H new ATOM 847 N ARG A 54 4.402 9.106 -5.144 1.00 8.53 N ATOM 848 CA ARG A 54 5.736 8.952 -4.655 1.00 9.05 C ATOM 849 C ARG A 54 6.084 7.513 -4.844 1.00 8.96 C ATOM 850 O ARG A 54 5.259 6.792 -5.366 1.00 11.60 O ATOM 851 CB ARG A 54 5.887 9.356 -3.098 1.00 7.97 C ATOM 852 CG ARG A 54 5.147 10.624 -2.759 1.00 9.62 C ATOM 853 CD ARG A 54 5.525 10.994 -1.293 1.00 12.20 C ATOM 854 NE ARG A 54 4.780 12.233 -0.907 1.00 18.23 N ATOM 855 CZ ARG A 54 4.701 12.760 0.349 1.00 22.08 C ATOM 856 NH1 ARG A 54 5.428 12.298 1.340 1.00 25.50 N ATOM 857 NH2 ARG A 54 3.913 13.801 0.545 1.00 23.38 N ATOM 0 H ARG A 54 3.755 8.420 -4.756 1.00 8.53 H new ATOM 0 HA ARG A 54 6.404 9.619 -5.200 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.512 8.543 -2.476 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.943 9.480 -2.858 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.424 11.426 -3.443 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.071 10.480 -2.855 1.00 9.62 H new ATOM 0 HD2 ARG A 54 5.273 10.175 -0.619 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.599 11.157 -1.209 1.00 12.20 H new ATOM 0 HE ARG A 54 4.287 12.728 -1.650 1.00 18.23 H new ATOM 0 HH11 ARG A 54 6.074 11.524 1.181 1.00 25.50 H new ATOM 0 HH12 ARG A 54 5.347 12.713 2.268 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.382 14.192 -0.233 1.00 23.38 H new ATOM 0 HH22 ARG A 54 3.836 14.214 1.474 1.00 23.38 H new ATOM 871 N THR A 55 7.238 7.040 -4.290 1.00 9.05 N ATOM 872 CA THR A 55 7.700 5.700 -4.485 1.00 9.03 C ATOM 873 C THR A 55 8.004 5.058 -3.158 1.00 8.15 C ATOM 874 O THR A 55 8.075 5.704 -2.158 1.00 5.91 O ATOM 875 CB THR A 55 8.957 5.501 -5.252 1.00 11.15 C ATOM 876 OG1 THR A 55 10.134 6.183 -4.829 1.00 11.95 O ATOM 877 CG2 THR A 55 8.660 5.877 -6.755 1.00 11.71 C ATOM 0 H THR A 55 7.850 7.605 -3.701 1.00 9.05 H new ATOM 0 HA THR A 55 6.876 5.272 -5.056 1.00 9.03 H new ATOM 0 HB THR A 55 9.213 4.455 -5.080 1.00 11.15 H new ATOM 0 HG1 THR A 55 9.959 7.147 -4.794 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.564 5.742 -7.349 1.00 11.71 H new ATOM 0 HG22 THR A 55 7.871 5.232 -7.142 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.339 6.917 -6.813 1.00 11.71 H new ATOM 885 N LEU A 56 8.144 3.719 -3.170 1.00 6.91 N ATOM 886 CA LEU A 56 8.562 2.974 -2.016 1.00 8.29 C ATOM 887 C LEU A 56 9.952 3.373 -1.407 1.00 8.05 C ATOM 888 O LEU A 56 10.046 3.510 -0.160 1.00 10.17 O ATOM 889 CB LEU A 56 8.672 1.489 -2.351 1.00 6.60 C ATOM 890 CG LEU A 56 7.327 0.753 -2.393 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.421 -0.705 -2.761 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.502 0.835 -1.099 1.00 8.64 C ATOM 0 H LEU A 56 7.965 3.143 -3.992 1.00 6.91 H new ATOM 0 HA LEU A 56 7.791 3.205 -1.281 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.163 1.382 -3.318 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.314 1.008 -1.613 1.00 6.60 H new ATOM 0 HG LEU A 56 6.818 1.303 -3.184 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.423 -1.144 -2.766 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.865 -0.802 -3.752 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.043 -1.225 -2.032 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.570 0.285 -1.226 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.070 0.400 -0.277 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.280 1.878 -0.874 1.00 8.64 H new ATOM 904 N SER A 57 10.946 3.661 -2.276 1.00 8.92 N ATOM 905 CA SER A 57 12.252 4.155 -1.801 1.00 9.00 C ATOM 906 C SER A 57 12.162 5.550 -1.252 1.00 9.44 C ATOM 907 O SER A 57 13.062 5.902 -0.483 1.00 10.91 O ATOM 908 CB SER A 57 13.301 4.109 -2.944 1.00 10.32 C ATOM 909 OG SER A 57 14.695 4.198 -2.508 1.00 13.59 O ATOM 0 H SER A 57 10.870 3.562 -3.288 1.00 8.92 H new ATOM 0 HA SER A 57 12.567 3.496 -0.992 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.169 3.181 -3.501 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.099 4.927 -3.635 1.00 10.32 H new ATOM 0 HG SER A 57 14.754 4.774 -1.717 1.00 13.59 H new ATOM 915 N ASP A 58 11.139 6.425 -1.584 1.00 9.11 N ATOM 916 CA ASP A 58 10.952 7.690 -0.951 1.00 7.91 C ATOM 917 C ASP A 58 10.662 7.501 0.557 1.00 9.12 C ATOM 918 O ASP A 58 11.143 8.376 1.339 1.00 8.61 O ATOM 919 CB ASP A 58 9.834 8.483 -1.587 1.00 8.41 C ATOM 920 CG ASP A 58 10.122 8.914 -2.979 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.028 9.794 -3.130 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.467 8.492 -3.946 1.00 11.70 O ATOM 0 H ASP A 58 10.447 6.224 -2.306 1.00 9.11 H new ATOM 0 HA ASP A 58 11.877 8.252 -1.079 1.00 7.91 H new ATOM 0 HB2 ASP A 58 8.926 7.880 -1.584 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.634 9.364 -0.978 1.00 8.41 H new ATOM 927 N TYR A 59 9.912 6.409 0.949 1.00 7.97 N ATOM 928 CA TYR A 59 9.542 6.164 2.347 1.00 8.45 C ATOM 929 C TYR A 59 10.566 5.200 3.004 1.00 10.98 C ATOM 930 O TYR A 59 10.389 4.931 4.193 1.00 12.95 O ATOM 931 CB TYR A 59 8.054 5.627 2.319 1.00 7.94 C ATOM 932 CG TYR A 59 7.086 6.772 2.085 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.694 7.668 3.110 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.389 6.854 0.872 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.673 8.602 2.860 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.313 7.686 0.717 1.00 6.52 C ATOM 937 CZ TYR A 59 4.972 8.666 1.700 1.00 6.76 C ATOM 938 OH TYR A 59 3.927 9.600 1.613 1.00 7.63 O ATOM 0 H TYR A 59 9.566 5.703 0.300 1.00 7.97 H new ATOM 0 HA TYR A 59 9.574 7.061 2.966 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.944 4.882 1.531 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.821 5.132 3.262 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.176 7.634 4.076 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.709 6.246 0.039 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.432 9.311 3.638 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.706 7.600 -0.172 1.00 6.52 H new ATOM 0 HH TYR A 59 4.006 10.248 2.344 1.00 7.63 H new ATOM 948 N ASN A 60 11.645 4.748 2.274 1.00 12.38 N ATOM 949 CA ASN A 60 12.591 3.788 2.605 1.00 13.94 C ATOM 950 C ASN A 60 12.151 2.451 2.972 1.00 14.16 C ATOM 951 O ASN A 60 12.699 1.872 3.905 1.00 14.26 O ATOM 952 CB ASN A 60 13.663 4.265 3.559 1.00 19.23 C ATOM 953 CG ASN A 60 14.229 5.590 3.030 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.990 6.604 3.667 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.057 5.487 1.946 1.00 24.09 N ATOM 0 H ASN A 60 11.831 5.134 1.348 1.00 12.38 H new ATOM 0 HA ASN A 60 13.016 3.652 1.610 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.248 4.402 4.558 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.455 3.521 3.642 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.546 6.312 1.598 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.186 4.586 1.486 1.00 24.09 H new ATOM 962 N ILE A 61 11.058 1.976 2.368 1.00 11.08 N ATOM 963 CA ILE A 61 10.396 0.661 2.533 1.00 11.78 C ATOM 964 C ILE A 61 11.225 -0.445 1.889 1.00 13.74 C ATOM 965 O ILE A 61 11.730 -0.243 0.809 1.00 14.60 O ATOM 966 CB ILE A 61 8.991 0.748 2.035 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.160 1.713 2.863 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.346 -0.616 2.094 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.902 2.160 2.167 1.00 11.42 C ATOM 0 H ILE A 61 10.561 2.549 1.686 1.00 11.08 H new ATOM 0 HA ILE A 61 10.336 0.393 3.588 1.00 11.78 H new ATOM 0 HB ILE A 61 9.028 1.113 1.009 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.896 1.237 3.807 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.764 2.587 3.105 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.321 -0.550 1.730 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.908 -1.312 1.471 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.343 -0.973 3.124 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.354 2.847 2.812 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.161 2.664 1.236 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.279 1.293 1.949 1.00 11.42 H new ATOM 981 N GLN A 62 11.432 -1.517 2.636 1.00 13.97 N ATOM 982 CA GLN A 62 12.297 -2.594 2.385 1.00 15.52 C ATOM 983 C GLN A 62 11.578 -3.906 2.162 1.00 13.94 C ATOM 984 O GLN A 62 10.355 -3.974 2.287 1.00 12.15 O ATOM 985 CB GLN A 62 13.293 -2.790 3.551 1.00 19.53 C ATOM 986 CG GLN A 62 14.252 -1.518 3.795 1.00 26.38 C ATOM 987 CD GLN A 62 14.909 -1.092 2.436 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.383 -1.874 1.603 1.00 33.23 O ATOM 989 NE2 GLN A 62 14.942 0.259 2.220 1.00 32.71 N ATOM 0 H GLN A 62 10.933 -1.640 3.517 1.00 13.97 H new ATOM 0 HA GLN A 62 12.820 -2.328 1.466 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.735 -2.996 4.465 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.909 -3.666 3.349 1.00 19.53 H new ATOM 0 HG2 GLN A 62 13.677 -0.690 4.209 1.00 26.38 H new ATOM 0 HG3 GLN A 62 15.024 -1.765 4.523 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.549 0.896 2.913 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.360 0.629 1.366 1.00 32.71 H new ATOM 998 N LYS A 63 12.252 -4.952 1.715 1.00 11.73 N ATOM 999 CA LYS A 63 11.678 -6.285 1.665 1.00 11.97 C ATOM 1000 C LYS A 63 11.191 -6.792 3.037 1.00 10.41 C ATOM 1001 O LYS A 63 11.833 -6.630 4.046 1.00 9.59 O ATOM 1002 CB LYS A 63 12.523 -7.420 0.986 1.00 13.73 C ATOM 1003 CG LYS A 63 13.729 -7.917 1.814 1.00 16.98 C ATOM 1004 CD LYS A 63 14.806 -8.790 1.117 1.00 20.19 C ATOM 1005 CE LYS A 63 14.222 -10.142 0.578 1.00 23.42 C ATOM 1006 NZ LYS A 63 13.741 -10.931 1.702 1.00 25.97 N ATOM 0 H LYS A 63 13.213 -4.901 1.377 1.00 11.73 H new ATOM 0 HA LYS A 63 10.837 -6.102 0.996 1.00 11.97 H new ATOM 0 HB2 LYS A 63 11.868 -8.267 0.780 1.00 13.73 H new ATOM 0 HB3 LYS A 63 12.886 -7.057 0.024 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.230 -7.041 2.226 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.338 -8.486 2.657 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.244 -8.231 0.290 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.611 -9.000 1.821 1.00 20.19 H new ATOM 0 HE2 LYS A 63 13.409 -9.949 -0.122 1.00 23.42 H new ATOM 0 HE3 LYS A 63 14.988 -10.692 0.032 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 13.703 -11.934 1.431 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 14.387 -10.815 2.509 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 12.789 -10.608 1.971 1.00 25.97 H new ATOM 1020 N GLU A 64 10.048 -7.493 3.083 1.00 10.04 N ATOM 1021 CA GLU A 64 9.506 -8.046 4.312 1.00 10.94 C ATOM 1022 C GLU A 64 8.903 -7.090 5.280 1.00 9.74 C ATOM 1023 O GLU A 64 8.783 -7.428 6.459 1.00 9.42 O ATOM 1024 CB GLU A 64 10.411 -8.970 5.136 1.00 18.31 C ATOM 1025 CG GLU A 64 10.957 -10.147 4.265 1.00 24.16 C ATOM 1026 CD GLU A 64 11.215 -11.318 5.145 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.116 -11.309 5.997 1.00 31.72 O ATOM 1028 OE2 GLU A 64 10.501 -12.376 4.963 1.00 32.61 O ATOM 0 H GLU A 64 9.479 -7.688 2.259 1.00 10.04 H new ATOM 0 HA GLU A 64 8.724 -8.635 3.833 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.245 -8.398 5.544 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.853 -9.369 5.983 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.236 -10.409 3.491 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.874 -9.847 3.758 1.00 24.16 H new ATOM 1035 N SER A 65 8.553 -5.824 4.824 1.00 6.85 N ATOM 1036 CA SER A 65 7.934 -4.791 5.666 1.00 6.90 C ATOM 1037 C SER A 65 6.403 -4.998 5.658 1.00 4.72 C ATOM 1038 O SER A 65 5.803 -5.371 4.652 1.00 3.91 O ATOM 1039 CB SER A 65 8.203 -3.334 5.119 1.00 7.28 C ATOM 1040 OG SER A 65 8.091 -2.370 6.189 1.00 10.56 O ATOM 0 H SER A 65 8.704 -5.523 3.861 1.00 6.85 H new ATOM 0 HA SER A 65 8.365 -4.883 6.663 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.197 -3.282 4.676 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.490 -3.097 4.330 1.00 7.28 H new ATOM 0 HG SER A 65 7.242 -1.888 6.107 1.00 10.56 H new ATOM 1046 N THR A 66 5.730 -4.652 6.810 1.00 4.48 N ATOM 1047 CA THR A 66 4.281 -4.916 6.972 1.00 3.80 C ATOM 1048 C THR A 66 3.538 -3.590 6.905 1.00 4.60 C ATOM 1049 O THR A 66 3.864 -2.639 7.630 1.00 5.33 O ATOM 1050 CB THR A 66 3.993 -5.448 8.332 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.713 -6.675 8.577 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.520 -5.815 8.456 1.00 3.40 C ATOM 0 H THR A 66 6.169 -4.201 7.613 1.00 4.48 H new ATOM 0 HA THR A 66 3.979 -5.621 6.198 1.00 3.80 H new ATOM 0 HB THR A 66 4.285 -4.669 9.036 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.507 -7.001 9.478 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.325 -6.203 9.456 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.909 -4.929 8.284 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.271 -6.576 7.717 1.00 3.40 H new ATOM 1060 N LEU A 67 2.547 -3.486 5.992 1.00 4.17 N ATOM 1061 CA LEU A 67 1.883 -2.224 5.726 1.00 3.85 C ATOM 1062 C LEU A 67 0.498 -2.460 6.185 1.00 3.80 C ATOM 1063 O LEU A 67 -0.139 -3.440 5.774 1.00 5.54 O ATOM 1064 CB LEU A 67 1.826 -1.800 4.234 1.00 7.18 C ATOM 1065 CG LEU A 67 3.179 -1.824 3.508 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.069 -1.250 2.097 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.282 -1.138 4.303 1.00 11.66 C ATOM 0 H LEU A 67 2.201 -4.268 5.436 1.00 4.17 H new ATOM 0 HA LEU A 67 2.430 -1.422 6.221 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.136 -2.460 3.709 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.414 -0.793 4.172 1.00 7.18 H new ATOM 0 HG LEU A 67 3.464 -2.872 3.420 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.045 -1.283 1.614 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.358 -1.840 1.519 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.725 -0.217 2.150 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.216 -1.184 3.744 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.013 -0.096 4.474 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.408 -1.642 5.261 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.066 -1.645 7.112 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.422 -1.748 7.487 1.00 4.17 C ATOM 1081 C HIS A 68 -2.302 -1.147 6.428 1.00 5.32 C ATOM 1082 O HIS A 68 -2.069 0.007 6.059 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.766 -1.088 8.872 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.323 -1.898 10.104 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -0.008 -2.296 10.342 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -2.094 -2.454 11.052 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -0.039 -3.086 11.421 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -1.287 -3.188 11.971 1.00 16.30 N ATOM 0 H HIS A 68 0.444 -0.908 7.599 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.610 -2.816 7.595 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.299 -0.104 8.915 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.843 -0.932 8.926 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -3.168 -2.359 11.110 1.00 12.79 H new ATOM 0 HE1 HIS A 68 0.830 -3.590 11.816 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -1.570 -3.669 12.825 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.364 -1.877 5.949 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.278 -1.189 5.011 1.00 3.97 C ATOM 1098 C LEU A 69 -5.523 -0.771 5.704 1.00 5.07 C ATOM 1099 O LEU A 69 -6.092 -1.609 6.394 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.653 -2.081 3.794 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.751 -1.643 2.788 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.355 -0.310 2.083 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.047 -2.636 1.752 1.00 9.96 C ATOM 0 H LEU A 69 -3.585 -2.847 6.176 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.744 -0.313 4.643 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.740 -2.238 3.221 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.952 -3.051 4.190 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.649 -1.519 3.393 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.139 -0.022 1.382 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.230 0.474 2.830 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.419 -0.448 1.543 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.824 -2.252 1.091 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.146 -2.838 1.173 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.392 -3.558 2.220 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.997 0.463 5.489 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.267 0.910 5.928 1.00 6.26 C ATOM 1117 C VAL A 70 -7.945 1.417 4.683 1.00 9.22 C ATOM 1118 O VAL A 70 -7.360 1.599 3.637 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.134 1.891 7.126 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.247 1.300 8.246 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.667 3.245 6.643 1.00 8.54 C ATOM 0 H VAL A 70 -5.469 1.177 4.987 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.899 0.135 6.363 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.116 2.036 7.577 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.176 2.013 9.068 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -6.689 0.371 8.608 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.250 1.099 7.853 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.578 3.923 7.492 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.697 3.143 6.156 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -7.389 3.647 5.932 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.262 1.649 4.810 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.021 1.890 3.630 1.00 16.06 C ATOM 1133 C LEU A 71 -10.868 3.145 3.914 1.00 18.09 C ATOM 1134 O LEU A 71 -11.682 3.180 4.820 1.00 19.26 O ATOM 1135 CB LEU A 71 -10.995 0.754 3.149 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.211 -0.523 2.782 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.169 -1.729 2.583 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.270 -0.343 1.579 1.00 19.57 C ATOM 0 H LEU A 71 -9.781 1.670 5.688 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.294 1.978 2.822 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.716 0.530 3.935 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.563 1.098 2.285 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.562 -0.736 3.632 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.589 -2.615 2.325 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.720 -1.912 3.505 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.870 -1.508 1.779 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.752 -1.281 1.379 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.851 -0.055 0.703 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.539 0.434 1.802 1.00 19.57 H new ATOM 1150 N ARG A 72 -10.556 4.278 3.137 1.00 21.47 N ATOM 1151 CA ARG A 72 -10.922 5.705 3.374 1.00 25.83 C ATOM 1152 C ARG A 72 -12.254 5.982 4.112 1.00 27.74 C ATOM 1153 O ARG A 72 -13.329 5.507 3.679 1.00 30.65 O ATOM 1154 CB ARG A 72 -11.032 6.362 2.019 1.00 28.49 C ATOM 1155 CG ARG A 72 -11.281 7.866 2.276 1.00 31.79 C ATOM 1156 CD ARG A 72 -11.022 8.690 1.016 1.00 34.05 C ATOM 1157 NE ARG A 72 -11.125 10.126 1.404 1.00 35.08 N ATOM 1158 CZ ARG A 72 -10.510 11.134 0.769 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -9.949 11.021 -0.467 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -10.394 12.291 1.383 1.00 35.02 N ATOM 0 H ARG A 72 -10.008 4.179 2.283 1.00 21.47 H new ATOM 0 HA ARG A 72 -10.143 6.093 4.030 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -10.120 6.214 1.441 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -11.849 5.927 1.443 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -12.308 8.016 2.607 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -10.633 8.213 3.081 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -10.035 8.471 0.608 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -11.749 8.447 0.241 1.00 34.05 H new ATOM 0 HE ARG A 72 -11.705 10.358 2.210 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -9.983 10.130 -0.963 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -9.495 11.827 -0.897 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -10.768 12.409 2.325 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -9.930 13.071 0.918 1.00 35.02 H new ATOM 1174 N LEU A 73 -12.221 6.745 5.210 1.00 28.93 N ATOM 1175 CA LEU A 73 -13.350 7.161 6.024 1.00 30.76 C ATOM 1176 C LEU A 73 -13.375 8.676 6.045 1.00 32.18 C ATOM 1177 O LEU A 73 -12.391 9.353 6.402 1.00 32.31 O ATOM 1178 CB LEU A 73 -13.097 6.717 7.486 1.00 30.53 C ATOM 1179 CG LEU A 73 -13.056 5.144 7.565 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -12.813 4.627 8.982 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -14.328 4.427 7.057 1.00 29.11 C ATOM 0 H LEU A 73 -11.340 7.109 5.572 1.00 28.93 H new ATOM 0 HA LEU A 73 -14.272 6.735 5.627 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -12.156 7.133 7.845 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -13.884 7.103 8.134 1.00 30.53 H new ATOM 0 HG LEU A 73 -12.223 4.907 6.903 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -12.795 3.537 8.974 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -11.857 5.003 9.348 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -13.613 4.972 9.637 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -14.201 3.349 7.153 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -15.186 4.745 7.649 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -14.495 4.681 6.010 1.00 29.11 H new ATOM 1193 N ARG A 74 -14.524 9.231 5.685 1.00 33.82 N ATOM 1194 CA ARG A 74 -14.815 10.657 5.774 1.00 35.33 C ATOM 1195 C ARG A 74 -14.745 11.226 7.190 1.00 36.22 C ATOM 1196 O ARG A 74 -14.054 12.168 7.454 1.00 36.70 O ATOM 1197 CB ARG A 74 -16.215 11.013 5.178 1.00 36.91 C ATOM 1198 CG ARG A 74 -16.219 10.641 3.699 1.00 38.62 C ATOM 1199 CD ARG A 74 -15.218 11.341 2.776 1.00 39.75 C ATOM 1200 NE ARG A 74 -15.388 10.696 1.416 1.00 41.13 N ATOM 1201 CZ ARG A 74 -15.037 11.302 0.289 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -14.464 12.513 0.239 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -15.102 10.610 -0.861 1.00 41.93 N ATOM 0 H ARG A 74 -15.302 8.687 5.312 1.00 33.82 H new ATOM 0 HA ARG A 74 -14.023 11.117 5.184 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -17.000 10.473 5.707 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -16.420 12.076 5.302 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -16.046 9.567 3.625 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -17.220 10.830 3.310 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -15.414 12.412 2.728 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -14.198 11.220 3.141 1.00 39.75 H new ATOM 0 HE ARG A 74 -15.788 9.759 1.365 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -14.274 13.023 1.101 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -14.218 12.924 -0.662 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -15.416 9.640 -0.855 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -14.837 11.055 -1.740 1.00 41.93 H new ATOM 1217 N GLY A 75 -15.343 10.500 8.153 1.00 36.31 N ATOM 1218 CA GLY A 75 -15.263 10.824 9.578 1.00 36.07 C ATOM 1219 C GLY A 75 -13.946 10.463 10.277 1.00 36.16 C ATOM 1220 O GLY A 75 -13.864 10.653 11.489 1.00 36.26 O ATOM 0 H GLY A 75 -15.898 9.667 7.956 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -15.433 11.894 9.697 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -16.076 10.313 10.093 1.00 36.07 H new ATOM 1224 N GLY A 76 -12.951 9.831 9.573 1.00 36.05 N ATOM 1225 CA GLY A 76 -11.805 9.335 10.284 1.00 36.19 C ATOM 1226 C GLY A 76 -10.501 10.009 9.924 1.00 36.20 C ATOM 1227 O GLY A 76 -10.437 11.253 9.744 1.00 0.00 O ATOM 1228 OXT GLY A 76 -9.540 9.248 9.780 1.00 0.00 O ATOM 0 H GLY A 76 -12.948 9.676 8.565 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -11.978 9.455 11.354 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -11.711 8.266 10.094 1.00 36.19 H new TER 1232 GLY A 76