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 22 THR OG1 : rot 180:sc= 0.0169 USER MOD Set 1.2: A 25 ASN : amide:sc= 0.661 K(o=0.68,f=-0.57) USER MOD Set 2.1: A 6 LYS NZ :NH3+ -164:sc= 1.19 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot -172:sc= 0.992 USER MOD Set 3.1: A 7 THR OG1 : rot 180:sc= 0.00151 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.0105 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -179:sc= 2.46 (180deg=2.46) USER MOD Single : A 2 GLN : amide:sc= -0.0199 K(o=-0.02,f=0.49!) USER MOD Single : A 11 LYS NZ :NH3+ -179:sc= 1.29 (180deg=1.27) USER MOD Single : A 14 THR OG1 : rot -48:sc= 0.111 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0702 USER MOD Single : A 27 LYS NZ :NH3+ -157:sc= 0.835 (180deg=-0.678) USER MOD Single : A 29 LYS NZ :NH3+ 165:sc= 0.82 (180deg=0.663) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.139 X(o=-0.14,f=0) USER MOD Single : A 41 GLN : amide:sc= 1.18 K(o=1.2,f=-5.5!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0082 X(o=-0.0082,f=-0.032) USER MOD Single : A 55 THR OG1 : rot -32:sc= 1.05 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.0466 K(o=-0.047,f=-0.6) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -140:sc= 0.696 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.91 K(o=-0.91,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.817 -7.363 -4.767 1.00 9.67 N ATOM 2 CA MET A 1 11.750 -7.976 -3.365 1.00 10.38 C ATOM 3 C MET A 1 10.291 -8.186 -3.000 1.00 9.62 C ATOM 4 O MET A 1 9.326 -7.731 -3.610 1.00 9.62 O ATOM 5 CB MET A 1 12.325 -6.988 -2.300 1.00 13.77 C ATOM 6 CG MET A 1 11.488 -5.707 -1.987 1.00 16.29 C ATOM 7 SD MET A 1 12.473 -4.473 -1.053 1.00 17.17 S ATOM 8 CE MET A 1 11.120 -3.366 -0.750 1.00 16.11 C ATOM 0 H1 MET A 1 12.811 -7.228 -5.040 1.00 9.67 H new ATOM 0 H2 MET A 1 11.355 -8.000 -5.447 1.00 9.67 H new ATOM 0 H3 MET A 1 11.330 -6.444 -4.768 1.00 9.67 H new ATOM 0 HA MET A 1 12.320 -8.905 -3.372 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.462 -7.538 -1.369 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.314 -6.672 -2.632 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.137 -5.264 -2.919 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.604 -5.980 -1.411 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.473 -2.507 -0.179 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.708 -3.026 -1.700 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.346 -3.884 -0.184 1.00 16.11 H new ATOM 20 N GLN A 2 10.070 -8.961 -1.926 1.00 9.27 N ATOM 21 CA GLN A 2 8.791 -9.286 -1.440 1.00 9.07 C ATOM 22 C GLN A 2 8.312 -8.281 -0.415 1.00 8.72 C ATOM 23 O GLN A 2 9.133 -7.859 0.388 1.00 8.22 O ATOM 24 CB GLN A 2 8.929 -10.674 -0.798 1.00 14.46 C ATOM 25 CG GLN A 2 7.482 -11.217 -0.464 1.00 17.01 C ATOM 26 CD GLN A 2 7.497 -12.748 -0.324 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.230 -13.283 0.761 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.777 -13.554 -1.379 1.00 19.49 N ATOM 0 H GLN A 2 10.826 -9.374 -1.380 1.00 9.27 H new ATOM 0 HA GLN A 2 8.057 -9.277 -2.246 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.443 -11.356 -1.476 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.530 -10.614 0.109 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.123 -10.765 0.461 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.788 -10.925 -1.252 1.00 17.01 H new ATOM 0 HE21 GLN A 2 8.001 -13.146 -2.287 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.763 -14.567 -1.264 1.00 19.49 H new ATOM 37 N ILE A 3 7.002 -7.773 -0.448 1.00 5.87 N ATOM 38 CA ILE A 3 6.380 -6.971 0.602 1.00 5.07 C ATOM 39 C ILE A 3 5.013 -7.570 0.913 1.00 4.01 C ATOM 40 O ILE A 3 4.361 -8.231 0.088 1.00 4.61 O ATOM 41 CB ILE A 3 6.222 -5.407 0.346 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.414 -5.111 -0.906 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.645 -4.806 0.515 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.056 -3.578 -0.958 1.00 10.83 C ATOM 0 H ILE A 3 6.378 -7.938 -1.238 1.00 5.87 H new ATOM 0 HA ILE A 3 7.082 -7.020 1.434 1.00 5.07 H new ATOM 0 HB ILE A 3 5.593 -4.886 1.068 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.983 -5.391 -1.792 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.502 -5.708 -0.911 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.607 -3.729 0.351 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.008 -5.007 1.523 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.320 -5.260 -0.211 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.477 -3.370 -1.857 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.470 -3.311 -0.079 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.974 -2.990 -0.974 1.00 10.83 H new ATOM 56 N PHE A 4 4.463 -7.260 2.112 1.00 4.55 N ATOM 57 CA PHE A 4 3.184 -7.798 2.518 1.00 4.68 C ATOM 58 C PHE A 4 2.307 -6.602 2.900 1.00 5.30 C ATOM 59 O PHE A 4 2.680 -5.507 3.335 1.00 5.58 O ATOM 60 CB PHE A 4 3.215 -8.572 3.840 1.00 4.83 C ATOM 61 CG PHE A 4 4.098 -9.755 3.632 1.00 7.97 C ATOM 62 CD1 PHE A 4 3.644 -10.828 2.862 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.353 -9.874 4.228 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.506 -11.924 2.603 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.196 -10.918 4.005 1.00 10.61 C ATOM 66 CZ PHE A 4 5.761 -11.984 3.174 1.00 8.90 C ATOM 0 H PHE A 4 4.898 -6.642 2.797 1.00 4.55 H new ATOM 0 HA PHE A 4 2.856 -8.437 1.698 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.595 -7.944 4.646 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.211 -8.886 4.127 1.00 4.83 H new ATOM 0 HD1 PHE A 4 2.640 -10.823 2.465 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.673 -9.095 4.904 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.177 -12.720 1.952 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.179 -10.936 4.452 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.405 -12.832 2.991 1.00 8.90 H new ATOM 76 N VAL A 5 0.998 -6.838 2.626 1.00 4.44 N ATOM 77 CA VAL A 5 -0.085 -5.890 2.865 1.00 3.87 C ATOM 78 C VAL A 5 -0.982 -6.600 3.819 1.00 4.93 C ATOM 79 O VAL A 5 -1.212 -7.790 3.727 1.00 6.84 O ATOM 80 CB VAL A 5 -0.940 -5.478 1.655 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.927 -4.288 1.936 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.015 -5.071 0.584 1.00 9.13 C ATOM 0 H VAL A 5 0.675 -7.718 2.224 1.00 4.44 H new ATOM 0 HA VAL A 5 0.367 -4.957 3.202 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.570 -6.324 1.380 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.491 -4.062 1.031 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.616 -4.567 2.733 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.359 -3.408 2.239 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.541 -4.767 -0.303 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.622 -4.236 0.935 1.00 9.13 H new ATOM 0 HG23 VAL A 5 0.663 -5.912 0.336 1.00 9.13 H new ATOM 92 N LYS A 6 -1.505 -5.952 4.890 1.00 6.04 N ATOM 93 CA LYS A 6 -2.253 -6.573 5.978 1.00 6.12 C ATOM 94 C LYS A 6 -3.506 -5.758 6.196 1.00 6.57 C ATOM 95 O LYS A 6 -3.536 -4.539 6.456 1.00 5.76 O ATOM 96 CB LYS A 6 -1.336 -6.583 7.215 1.00 7.45 C ATOM 97 CG LYS A 6 -1.810 -7.595 8.284 1.00 11.12 C ATOM 98 CD LYS A 6 -1.666 -9.046 7.861 1.00 14.54 C ATOM 99 CE LYS A 6 -2.040 -10.044 8.928 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.637 -11.411 8.596 1.00 20.55 N ATOM 0 H LYS A 6 -1.406 -4.944 5.011 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.551 -7.599 5.762 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.319 -6.829 6.910 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.305 -5.584 7.651 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.241 -7.435 9.200 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.856 -7.397 8.520 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -2.289 -9.220 6.983 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.634 -9.224 7.560 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -1.575 -9.752 9.870 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -3.119 -10.016 9.082 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -2.143 -12.081 9.210 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.869 -11.610 7.602 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.612 -11.515 8.740 1.00 20.55 H new ATOM 114 N THR A 7 -4.697 -6.383 6.030 1.00 7.41 N ATOM 115 CA THR A 7 -5.899 -5.584 6.062 1.00 7.48 C ATOM 116 C THR A 7 -6.485 -5.477 7.446 1.00 8.75 C ATOM 117 O THR A 7 -6.011 -6.205 8.361 1.00 8.58 O ATOM 118 CB THR A 7 -6.975 -6.106 5.148 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.523 -7.356 5.560 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.246 -6.425 3.829 1.00 9.17 C ATOM 0 H THR A 7 -4.829 -7.384 5.882 1.00 7.41 H new ATOM 0 HA THR A 7 -5.577 -4.601 5.719 1.00 7.48 H new ATOM 0 HB THR A 7 -7.778 -5.370 5.108 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.215 -7.635 4.925 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.960 -6.813 3.103 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.788 -5.517 3.438 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.473 -7.171 4.012 1.00 9.17 H new ATOM 128 N LEU A 8 -7.547 -4.569 7.665 1.00 9.84 N ATOM 129 CA LEU A 8 -8.332 -4.474 8.890 1.00 14.15 C ATOM 130 C LEU A 8 -8.758 -5.821 9.499 1.00 17.37 C ATOM 131 O LEU A 8 -8.690 -6.046 10.675 1.00 17.01 O ATOM 132 CB LEU A 8 -9.627 -3.616 8.625 1.00 16.63 C ATOM 133 CG LEU A 8 -10.436 -3.238 9.922 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.713 -2.227 10.852 1.00 19.31 C ATOM 135 CD2 LEU A 8 -11.842 -2.662 9.548 1.00 18.59 C ATOM 0 H LEU A 8 -7.842 -3.899 6.955 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.668 -4.004 9.616 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.341 -2.699 8.110 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.282 -4.168 7.951 1.00 16.63 H new ATOM 0 HG LEU A 8 -10.533 -4.171 10.477 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.338 -2.021 11.721 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -8.763 -2.649 11.180 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.530 -1.300 10.309 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -12.385 -2.407 10.458 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -11.718 -1.768 8.937 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -12.404 -3.409 8.988 1.00 18.59 H new ATOM 147 N THR A 9 -9.159 -6.770 8.606 1.00 18.33 N ATOM 148 CA THR A 9 -9.796 -8.011 8.950 1.00 19.24 C ATOM 149 C THR A 9 -8.778 -9.122 9.004 1.00 19.48 C ATOM 150 O THR A 9 -9.081 -10.270 9.321 1.00 23.14 O ATOM 151 CB THR A 9 -10.939 -8.332 8.007 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.334 -8.353 6.693 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.928 -7.141 8.115 1.00 19.70 C ATOM 0 H THR A 9 -9.029 -6.659 7.600 1.00 18.33 H new ATOM 0 HA THR A 9 -10.234 -7.909 9.943 1.00 19.24 H new ATOM 0 HB THR A 9 -11.458 -9.267 8.217 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.018 -8.558 6.021 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.778 -7.313 7.455 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.279 -7.051 9.143 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.423 -6.221 7.823 1.00 19.70 H new ATOM 161 N GLY A 10 -7.463 -8.852 8.744 1.00 19.43 N ATOM 162 CA GLY A 10 -6.414 -9.899 8.923 1.00 18.74 C ATOM 163 C GLY A 10 -6.198 -10.709 7.712 1.00 17.62 C ATOM 164 O GLY A 10 -5.547 -11.722 7.838 1.00 19.74 O ATOM 0 H GLY A 10 -7.114 -7.950 8.421 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.476 -9.421 9.206 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.699 -10.554 9.746 1.00 18.74 H new ATOM 168 N LYS A 11 -6.653 -10.317 6.502 1.00 13.56 N ATOM 169 CA LYS A 11 -6.290 -10.841 5.231 1.00 11.91 C ATOM 170 C LYS A 11 -4.842 -10.493 4.980 1.00 10.18 C ATOM 171 O LYS A 11 -4.360 -9.456 5.389 1.00 9.10 O ATOM 172 CB LYS A 11 -7.160 -10.385 4.060 1.00 13.43 C ATOM 173 CG LYS A 11 -8.672 -10.500 4.183 1.00 16.69 C ATOM 174 CD LYS A 11 -9.397 -10.401 2.896 1.00 17.92 C ATOM 175 CE LYS A 11 -9.341 -11.680 2.065 1.00 20.81 C ATOM 176 NZ LYS A 11 -10.079 -11.582 0.714 1.00 21.93 N ATOM 0 H LYS A 11 -7.336 -9.565 6.417 1.00 13.56 H new ATOM 0 HA LYS A 11 -6.451 -11.918 5.277 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -6.924 -9.340 3.860 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.856 -10.954 3.181 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -8.915 -11.454 4.651 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -9.031 -9.717 4.850 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -10.439 -10.151 3.094 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -8.977 -9.580 2.314 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -8.298 -11.936 1.880 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -9.771 -12.497 2.644 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -10.012 -12.492 0.215 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -11.079 -11.352 0.881 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -9.644 -10.836 0.134 1.00 21.93 H new ATOM 190 N THR A 12 -4.060 -11.420 4.413 1.00 9.63 N ATOM 191 CA THR A 12 -2.662 -11.198 4.057 1.00 9.85 C ATOM 192 C THR A 12 -2.410 -11.204 2.505 1.00 11.66 C ATOM 193 O THR A 12 -2.727 -12.121 1.786 1.00 12.33 O ATOM 194 CB THR A 12 -1.742 -12.200 4.696 1.00 10.85 C ATOM 195 OG1 THR A 12 -2.160 -12.453 6.054 1.00 10.91 O ATOM 196 CG2 THR A 12 -0.261 -11.721 4.708 1.00 9.63 C ATOM 0 H THR A 12 -4.390 -12.358 4.187 1.00 9.63 H new ATOM 0 HA THR A 12 -2.438 -10.203 4.442 1.00 9.85 H new ATOM 0 HB THR A 12 -1.799 -13.111 4.100 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.489 -13.007 6.505 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.363 -12.480 5.180 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.077 -11.558 3.685 1.00 9.63 H new ATOM 0 HG23 THR A 12 -0.185 -10.789 5.268 1.00 9.63 H new ATOM 204 N ILE A 13 -1.848 -10.149 2.065 1.00 10.42 N ATOM 205 CA ILE A 13 -1.512 -9.986 0.659 1.00 11.84 C ATOM 206 C ILE A 13 0.022 -9.924 0.466 1.00 10.55 C ATOM 207 O ILE A 13 0.761 -9.146 1.028 1.00 11.92 O ATOM 208 CB ILE A 13 -2.087 -8.697 0.119 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.532 -8.515 0.530 1.00 14.87 C ATOM 210 CG2 ILE A 13 -1.889 -8.610 -1.429 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.145 -7.219 -0.074 1.00 16.46 C ATOM 0 H ILE A 13 -1.595 -9.354 2.652 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.928 -10.842 0.128 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.538 -7.866 0.562 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.114 -9.378 0.206 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.599 -8.476 1.617 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.310 -7.675 -1.798 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.825 -8.646 -1.662 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.394 -9.449 -1.908 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.183 -7.125 0.245 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.579 -6.354 0.272 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.103 -7.269 -1.162 1.00 16.46 H new ATOM 223 N THR A 14 0.511 -10.761 -0.495 1.00 9.39 N ATOM 224 CA THR A 14 1.947 -10.773 -0.794 1.00 9.63 C ATOM 225 C THR A 14 2.133 -10.163 -2.216 1.00 11.20 C ATOM 226 O THR A 14 1.449 -10.542 -3.184 1.00 11.63 O ATOM 227 CB THR A 14 2.474 -12.243 -0.876 1.00 10.38 C ATOM 228 OG1 THR A 14 2.231 -12.980 0.307 1.00 16.30 O ATOM 229 CG2 THR A 14 3.990 -12.142 -1.074 1.00 11.66 C ATOM 0 H THR A 14 -0.053 -11.406 -1.048 1.00 9.39 H new ATOM 0 HA THR A 14 2.480 -10.222 -0.019 1.00 9.63 H new ATOM 0 HB THR A 14 1.961 -12.761 -1.686 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.506 -12.451 1.084 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.416 -13.143 -1.139 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.201 -11.598 -1.994 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.433 -11.613 -0.230 1.00 11.66 H new ATOM 237 N LEU A 15 3.070 -9.213 -2.418 1.00 8.29 N ATOM 238 CA LEU A 15 3.311 -8.473 -3.665 1.00 9.03 C ATOM 239 C LEU A 15 4.809 -8.562 -4.023 1.00 8.59 C ATOM 240 O LEU A 15 5.639 -8.723 -3.083 1.00 7.79 O ATOM 241 CB LEU A 15 3.065 -6.981 -3.455 1.00 11.08 C ATOM 242 CG LEU A 15 1.633 -6.740 -2.892 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.382 -5.213 -2.671 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.561 -7.341 -3.790 1.00 15.27 C ATOM 0 H LEU A 15 3.709 -8.930 -1.675 1.00 8.29 H new ATOM 0 HA LEU A 15 2.657 -8.894 -4.428 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.806 -6.577 -2.765 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.185 -6.450 -4.399 1.00 11.08 H new ATOM 0 HG LEU A 15 1.568 -7.248 -1.930 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.377 -5.063 -2.277 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.112 -4.823 -1.961 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.482 -4.687 -3.620 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.422 -7.150 -3.360 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.619 -6.888 -4.779 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.718 -8.416 -3.874 1.00 15.27 H new ATOM 256 N GLU A 16 5.158 -8.381 -5.297 1.00 11.04 N ATOM 257 CA GLU A 16 6.568 -8.371 -5.764 1.00 11.50 C ATOM 258 C GLU A 16 6.800 -6.930 -6.150 1.00 10.13 C ATOM 259 O GLU A 16 6.071 -6.433 -6.994 1.00 9.83 O ATOM 260 CB GLU A 16 6.826 -9.291 -6.985 1.00 17.22 C ATOM 261 CG GLU A 16 8.210 -8.981 -7.676 1.00 23.33 C ATOM 262 CD GLU A 16 9.461 -9.241 -6.769 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.620 -10.365 -6.220 1.00 28.86 O ATOM 264 OE2 GLU A 16 10.396 -8.354 -6.752 1.00 28.90 O ATOM 0 H GLU A 16 4.479 -8.236 -6.045 1.00 11.04 H new ATOM 0 HA GLU A 16 7.236 -8.747 -4.990 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.806 -10.333 -6.665 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.022 -9.165 -7.710 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.297 -9.589 -8.576 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.218 -7.938 -7.994 1.00 23.33 H new ATOM 271 N VAL A 17 7.809 -6.248 -5.574 1.00 8.99 N ATOM 272 CA VAL A 17 7.996 -4.859 -5.700 1.00 8.85 C ATOM 273 C VAL A 17 9.472 -4.559 -5.971 1.00 8.04 C ATOM 274 O VAL A 17 10.292 -5.298 -5.480 1.00 8.99 O ATOM 275 CB VAL A 17 7.400 -3.989 -4.562 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.878 -4.038 -4.464 1.00 12.05 C ATOM 277 CG2 VAL A 17 8.043 -4.308 -3.176 1.00 10.54 C ATOM 0 H VAL A 17 8.519 -6.699 -4.997 1.00 8.99 H new ATOM 0 HA VAL A 17 7.400 -4.552 -6.560 1.00 8.85 H new ATOM 0 HB VAL A 17 7.658 -2.968 -4.842 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.546 -3.402 -3.643 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.442 -3.683 -5.398 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.558 -5.064 -4.281 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.593 -3.674 -2.412 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.870 -5.355 -2.927 1.00 10.54 H new ATOM 0 HG23 VAL A 17 9.115 -4.118 -3.220 1.00 10.54 H new ATOM 287 N GLU A 18 9.776 -3.434 -6.680 1.00 7.29 N ATOM 288 CA GLU A 18 11.105 -2.865 -6.554 1.00 7.08 C ATOM 289 C GLU A 18 11.070 -1.704 -5.563 1.00 6.45 C ATOM 290 O GLU A 18 10.010 -1.101 -5.338 1.00 5.28 O ATOM 291 CB GLU A 18 11.725 -2.403 -7.901 1.00 10.28 C ATOM 292 CG GLU A 18 12.098 -3.398 -8.979 1.00 12.65 C ATOM 293 CD GLU A 18 13.008 -4.464 -8.464 1.00 14.15 C ATOM 294 OE1 GLU A 18 14.017 -4.178 -7.776 1.00 18.17 O ATOM 295 OE2 GLU A 18 12.743 -5.676 -8.733 1.00 14.33 O ATOM 0 H GLU A 18 9.141 -2.941 -7.307 1.00 7.29 H new ATOM 0 HA GLU A 18 11.752 -3.663 -6.188 1.00 7.08 H new ATOM 0 HB2 GLU A 18 11.024 -1.698 -8.348 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.629 -1.843 -7.659 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.193 -3.856 -9.379 1.00 12.65 H new ATOM 0 HG3 GLU A 18 12.582 -2.875 -9.804 1.00 12.65 H new ATOM 302 N PRO A 19 12.242 -1.312 -4.973 1.00 7.24 N ATOM 303 CA PRO A 19 12.316 -0.095 -4.143 1.00 7.07 C ATOM 304 C PRO A 19 11.865 1.222 -4.826 1.00 6.65 C ATOM 305 O PRO A 19 11.617 2.190 -4.177 1.00 6.37 O ATOM 306 CB PRO A 19 13.786 -0.050 -3.818 1.00 7.61 C ATOM 307 CG PRO A 19 14.232 -1.523 -3.738 1.00 8.16 C ATOM 308 CD PRO A 19 13.489 -2.132 -4.909 1.00 7.49 C ATOM 0 HA PRO A 19 11.633 -0.153 -3.296 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.342 0.488 -4.586 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.964 0.466 -2.875 1.00 7.61 H new ATOM 0 HG2 PRO A 19 15.312 -1.630 -3.838 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.953 -1.985 -2.791 1.00 8.16 H new ATOM 0 HD2 PRO A 19 14.065 -2.065 -5.832 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.271 -3.187 -4.745 1.00 7.49 H new ATOM 316 N SER A 20 11.864 1.277 -6.166 1.00 6.80 N ATOM 317 CA SER A 20 11.612 2.339 -7.066 1.00 6.28 C ATOM 318 C SER A 20 10.183 2.294 -7.400 1.00 8.45 C ATOM 319 O SER A 20 9.645 3.219 -8.070 1.00 7.26 O ATOM 320 CB SER A 20 12.487 2.259 -8.356 1.00 8.57 C ATOM 321 OG SER A 20 12.634 0.885 -8.705 1.00 11.13 O ATOM 0 H SER A 20 12.077 0.429 -6.691 1.00 6.80 H new ATOM 0 HA SER A 20 11.878 3.284 -6.592 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.017 2.811 -9.170 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.462 2.715 -8.184 1.00 8.57 H new ATOM 0 HG SER A 20 13.180 0.810 -9.515 1.00 11.13 H new ATOM 327 N ASP A 21 9.407 1.318 -6.873 1.00 7.50 N ATOM 328 CA ASP A 21 7.968 1.326 -7.029 1.00 7.70 C ATOM 329 C ASP A 21 7.298 2.425 -6.226 1.00 7.08 C ATOM 330 O ASP A 21 7.676 2.711 -5.093 1.00 8.11 O ATOM 331 CB ASP A 21 7.240 -0.033 -6.801 1.00 11.00 C ATOM 332 CG ASP A 21 7.158 -0.858 -8.076 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.321 -0.467 -8.948 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.852 -1.882 -8.272 1.00 18.03 O ATOM 0 H ASP A 21 9.769 0.526 -6.341 1.00 7.50 H new ATOM 0 HA ASP A 21 7.852 1.534 -8.093 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.766 -0.602 -6.035 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.234 0.154 -6.425 1.00 11.00 H new ATOM 339 N THR A 22 6.314 3.077 -6.834 1.00 5.37 N ATOM 340 CA THR A 22 5.475 4.070 -6.144 1.00 6.01 C ATOM 341 C THR A 22 4.413 3.399 -5.390 1.00 8.01 C ATOM 342 O THR A 22 3.933 2.333 -5.665 1.00 8.11 O ATOM 343 CB THR A 22 4.848 5.117 -7.129 1.00 8.92 C ATOM 344 OG1 THR A 22 4.034 4.577 -8.092 1.00 10.22 O ATOM 345 CG2 THR A 22 5.997 5.869 -7.795 1.00 9.65 C ATOM 0 H THR A 22 6.070 2.939 -7.815 1.00 5.37 H new ATOM 0 HA THR A 22 6.126 4.616 -5.461 1.00 6.01 H new ATOM 0 HB THR A 22 4.204 5.772 -6.541 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.683 5.292 -8.662 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.595 6.607 -8.489 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.592 6.373 -7.033 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.626 5.164 -8.339 1.00 9.65 H new ATOM 353 N ILE A 23 3.902 4.052 -4.346 1.00 8.32 N ATOM 354 CA ILE A 23 2.767 3.645 -3.540 1.00 9.92 C ATOM 355 C ILE A 23 1.479 3.480 -4.364 1.00 10.01 C ATOM 356 O ILE A 23 0.717 2.564 -4.229 1.00 8.71 O ATOM 357 CB ILE A 23 2.570 4.556 -2.381 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.753 4.475 -1.459 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.125 4.299 -1.710 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.931 3.134 -0.752 1.00 12.30 C ATOM 0 H ILE A 23 4.300 4.935 -4.026 1.00 8.32 H new ATOM 0 HA ILE A 23 3.003 2.656 -3.147 1.00 9.92 H new ATOM 0 HB ILE A 23 2.539 5.599 -2.697 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.656 4.689 -2.031 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.661 5.257 -0.705 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.992 4.972 -0.863 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.343 4.485 -2.447 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.062 3.266 -1.367 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.811 3.175 -0.110 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.050 2.922 -0.147 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.060 2.346 -1.494 1.00 12.30 H new ATOM 372 N GLU A 24 1.340 4.313 -5.402 1.00 9.54 N ATOM 373 CA GLU A 24 0.346 4.114 -6.418 1.00 11.81 C ATOM 374 C GLU A 24 0.454 2.839 -7.184 1.00 11.14 C ATOM 375 O GLU A 24 -0.575 2.315 -7.557 1.00 10.62 O ATOM 376 CB GLU A 24 0.357 5.327 -7.346 1.00 19.24 C ATOM 377 CG GLU A 24 -0.866 5.571 -8.276 1.00 27.76 C ATOM 378 CD GLU A 24 -0.784 6.959 -8.863 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.250 7.428 -9.338 1.00 34.80 O ATOM 380 OE2 GLU A 24 -1.855 7.718 -8.770 1.00 36.51 O ATOM 0 H GLU A 24 1.922 5.138 -5.545 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.611 4.017 -5.906 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.483 6.215 -6.727 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.242 5.251 -7.978 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.884 4.828 -9.073 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.793 5.457 -7.713 1.00 27.76 H new ATOM 387 N ASN A 25 1.714 2.403 -7.485 1.00 9.43 N ATOM 388 CA ASN A 25 1.940 1.031 -8.122 1.00 10.96 C ATOM 389 C ASN A 25 1.546 -0.054 -7.139 1.00 9.68 C ATOM 390 O ASN A 25 1.031 -1.105 -7.514 1.00 9.33 O ATOM 391 CB ASN A 25 3.397 0.796 -8.548 1.00 16.78 C ATOM 392 CG ASN A 25 3.783 1.837 -9.660 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.990 2.594 -10.231 1.00 25.66 O ATOM 394 ND2 ASN A 25 5.103 1.945 -9.940 1.00 24.70 N ATOM 0 H ASN A 25 2.564 2.940 -7.314 1.00 9.43 H new ATOM 0 HA ASN A 25 1.323 0.999 -9.020 1.00 10.96 H new ATOM 0 HB2 ASN A 25 4.061 0.899 -7.690 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.519 -0.219 -8.925 1.00 16.78 H new ATOM 0 HD21 ASN A 25 5.427 2.641 -10.611 1.00 24.70 H new ATOM 0 HD22 ASN A 25 5.774 1.330 -9.480 1.00 24.70 H new ATOM 401 N VAL A 26 1.677 0.205 -5.846 1.00 6.52 N ATOM 402 CA VAL A 26 1.274 -0.691 -4.817 1.00 5.53 C ATOM 403 C VAL A 26 -0.251 -0.890 -4.639 1.00 4.42 C ATOM 404 O VAL A 26 -0.742 -1.993 -4.574 1.00 3.40 O ATOM 405 CB VAL A 26 1.979 -0.357 -3.450 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.556 -1.234 -2.293 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.538 -0.388 -3.665 1.00 8.12 C ATOM 0 H VAL A 26 2.080 1.073 -5.493 1.00 6.52 H new ATOM 0 HA VAL A 26 1.620 -1.662 -5.171 1.00 5.53 H new ATOM 0 HB VAL A 26 1.656 0.641 -3.155 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.092 -0.933 -1.393 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.484 -1.128 -2.129 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.787 -2.274 -2.522 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.040 -0.158 -2.725 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.839 -1.379 -4.004 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.817 0.352 -4.415 1.00 8.12 H new ATOM 417 N LYS A 27 -0.964 0.200 -4.626 1.00 2.64 N ATOM 418 CA LYS A 27 -2.425 0.195 -4.633 1.00 4.14 C ATOM 419 C LYS A 27 -2.882 -0.458 -5.933 1.00 5.58 C ATOM 420 O LYS A 27 -3.884 -1.151 -5.887 1.00 4.11 O ATOM 421 CB LYS A 27 -2.943 1.636 -4.398 1.00 3.97 C ATOM 422 CG LYS A 27 -2.457 2.290 -3.069 1.00 7.45 C ATOM 423 CD LYS A 27 -3.055 3.669 -2.735 1.00 9.02 C ATOM 424 CE LYS A 27 -2.966 4.687 -3.854 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.618 5.953 -3.475 1.00 15.47 N ATOM 0 H LYS A 27 -0.556 1.135 -4.610 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.852 -0.394 -3.821 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.628 2.262 -5.233 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.033 1.622 -4.404 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.684 1.609 -2.248 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.372 2.387 -3.111 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.103 3.539 -2.463 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -2.545 4.068 -1.858 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -1.920 4.872 -4.098 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.437 4.287 -4.752 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.892 6.473 -4.333 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.466 5.751 -2.908 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -2.957 6.530 -2.916 1.00 15.47 H new ATOM 439 N ALA A 28 -2.188 -0.337 -7.129 1.00 6.61 N ATOM 440 CA ALA A 28 -2.430 -1.080 -8.323 1.00 7.74 C ATOM 441 C ALA A 28 -2.273 -2.558 -8.234 1.00 9.17 C ATOM 442 O ALA A 28 -3.015 -3.347 -8.841 1.00 11.45 O ATOM 443 CB ALA A 28 -1.515 -0.673 -9.531 1.00 7.68 C ATOM 0 H ALA A 28 -1.420 0.326 -7.236 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.477 -0.821 -8.478 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -1.763 -1.285 -10.398 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -1.675 0.378 -9.771 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.470 -0.829 -9.264 1.00 7.68 H new ATOM 449 N LYS A 29 -1.285 -3.028 -7.484 1.00 8.96 N ATOM 450 CA LYS A 29 -1.057 -4.424 -7.160 1.00 7.90 C ATOM 451 C LYS A 29 -2.089 -4.995 -6.103 1.00 6.92 C ATOM 452 O LYS A 29 -2.546 -6.134 -6.260 1.00 6.87 O ATOM 453 CB LYS A 29 0.315 -4.386 -6.512 1.00 10.28 C ATOM 454 CG LYS A 29 1.435 -4.284 -7.511 1.00 14.94 C ATOM 455 CD LYS A 29 2.785 -3.931 -6.913 1.00 19.69 C ATOM 456 CE LYS A 29 3.897 -3.730 -8.010 1.00 22.63 C ATOM 457 NZ LYS A 29 4.351 -4.896 -8.804 1.00 24.98 N ATOM 0 H LYS A 29 -0.588 -2.412 -7.066 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.153 -5.058 -8.041 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.365 -3.537 -5.830 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.452 -5.285 -5.912 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.523 -5.235 -8.037 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.174 -3.531 -8.255 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.691 -3.018 -6.325 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.093 -4.721 -6.228 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.534 -2.978 -8.710 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.773 -3.309 -7.516 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.882 -4.565 -9.635 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.965 -5.497 -8.218 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.525 -5.445 -9.117 1.00 24.98 H new ATOM 471 N ILE A 30 -2.491 -4.104 -5.148 1.00 4.57 N ATOM 472 CA ILE A 30 -3.632 -4.501 -4.232 1.00 5.58 C ATOM 473 C ILE A 30 -4.925 -4.628 -5.024 1.00 7.26 C ATOM 474 O ILE A 30 -5.722 -5.535 -4.794 1.00 9.46 O ATOM 475 CB ILE A 30 -3.866 -3.616 -2.996 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.623 -3.752 -2.077 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.076 -4.047 -2.155 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.489 -2.516 -1.143 1.00 2.00 C ATOM 0 H ILE A 30 -2.090 -3.180 -4.989 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.315 -5.460 -3.823 1.00 5.58 H new ATOM 0 HB ILE A 30 -4.043 -2.603 -3.357 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.706 -4.659 -1.478 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.724 -3.853 -2.686 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.181 -3.379 -1.300 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.978 -4.001 -2.765 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.929 -5.068 -1.802 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.611 -2.633 -0.508 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.383 -1.614 -1.746 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.379 -2.433 -0.519 1.00 2.00 H new ATOM 490 N GLN A 31 -5.161 -3.766 -6.049 1.00 7.06 N ATOM 491 CA GLN A 31 -6.328 -3.845 -6.889 1.00 8.67 C ATOM 492 C GLN A 31 -6.406 -5.190 -7.546 1.00 10.90 C ATOM 493 O GLN A 31 -7.345 -6.007 -7.389 1.00 9.63 O ATOM 494 CB GLN A 31 -6.409 -2.766 -7.970 1.00 9.12 C ATOM 495 CG GLN A 31 -7.782 -2.637 -8.643 1.00 10.76 C ATOM 496 CD GLN A 31 -7.996 -1.453 -9.576 1.00 13.78 C ATOM 497 OE1 GLN A 31 -8.941 -0.717 -9.311 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.151 -1.272 -10.631 1.00 14.76 N ATOM 0 H GLN A 31 -4.529 -3.004 -6.295 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.171 -3.681 -6.218 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.145 -1.806 -7.527 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.663 -2.980 -8.735 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.967 -3.550 -9.209 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.538 -2.589 -7.859 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.385 -1.927 -10.789 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.285 -0.482 -11.262 1.00 14.76 H new ATOM 507 N ASP A 32 -5.263 -5.589 -8.163 1.00 10.93 N ATOM 508 CA ASP A 32 -5.031 -6.816 -8.931 1.00 14.01 C ATOM 509 C ASP A 32 -5.245 -8.056 -8.097 1.00 14.04 C ATOM 510 O ASP A 32 -5.944 -8.970 -8.530 1.00 13.39 O ATOM 511 CB ASP A 32 -3.640 -6.752 -9.656 1.00 18.01 C ATOM 512 CG ASP A 32 -3.419 -7.724 -10.794 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.167 -7.877 -11.807 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.387 -8.442 -10.614 1.00 26.29 O ATOM 0 H ASP A 32 -4.424 -5.010 -8.127 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.782 -6.888 -9.718 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.504 -5.741 -10.041 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.861 -6.917 -8.912 1.00 18.01 H new ATOM 519 N LYS A 33 -4.664 -8.061 -6.887 1.00 14.22 N ATOM 520 CA LYS A 33 -4.798 -9.133 -5.972 1.00 14.00 C ATOM 521 C LYS A 33 -6.164 -9.323 -5.332 1.00 12.37 C ATOM 522 O LYS A 33 -6.592 -10.491 -5.211 1.00 12.17 O ATOM 523 CB LYS A 33 -3.868 -8.916 -4.762 1.00 18.62 C ATOM 524 CG LYS A 33 -2.468 -9.255 -5.204 1.00 24.00 C ATOM 525 CD LYS A 33 -2.085 -10.780 -5.018 1.00 27.61 C ATOM 526 CE LYS A 33 -0.712 -11.221 -5.618 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.212 -12.566 -5.151 1.00 30.06 N ATOM 0 H LYS A 33 -4.086 -7.295 -6.541 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.574 -9.997 -6.598 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -3.922 -7.884 -4.416 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.171 -9.548 -3.927 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.355 -8.988 -6.255 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -1.762 -8.643 -4.642 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.082 -11.005 -3.952 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.868 -11.388 -5.470 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.797 -11.240 -6.705 1.00 27.64 H new ATOM 0 HE3 LYS A 33 0.035 -10.467 -5.369 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.702 -12.772 -5.601 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.094 -12.553 -4.118 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.900 -13.302 -5.411 1.00 30.06 H new ATOM 541 N GLU A 34 -6.897 -8.271 -4.955 1.00 10.11 N ATOM 542 CA GLU A 34 -7.939 -8.387 -3.968 1.00 10.07 C ATOM 543 C GLU A 34 -9.163 -7.578 -4.284 1.00 9.32 C ATOM 544 O GLU A 34 -10.089 -7.527 -3.457 1.00 11.61 O ATOM 545 CB GLU A 34 -7.480 -7.839 -2.556 1.00 14.77 C ATOM 546 CG GLU A 34 -6.759 -8.874 -1.600 1.00 18.75 C ATOM 547 CD GLU A 34 -7.533 -10.168 -1.461 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.683 -10.173 -1.046 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.886 -11.208 -1.791 1.00 25.19 O ATOM 0 H GLU A 34 -6.776 -7.330 -5.330 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.158 -9.455 -3.964 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -6.806 -6.998 -2.719 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.357 -7.450 -2.039 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.763 -9.089 -1.987 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.628 -8.425 -0.616 1.00 18.75 H new ATOM 556 N GLY A 35 -9.201 -6.966 -5.503 1.00 7.22 N ATOM 557 CA GLY A 35 -10.378 -6.298 -6.045 1.00 6.29 C ATOM 558 C GLY A 35 -10.853 -5.094 -5.305 1.00 6.93 C ATOM 559 O GLY A 35 -12.054 -4.857 -5.196 1.00 7.41 O ATOM 0 H GLY A 35 -8.396 -6.933 -6.128 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.162 -6.005 -7.073 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.194 -7.020 -6.084 1.00 6.29 H new ATOM 563 N ILE A 36 -9.922 -4.241 -4.808 1.00 5.86 N ATOM 564 CA ILE A 36 -10.254 -3.001 -4.080 1.00 6.07 C ATOM 565 C ILE A 36 -9.677 -1.774 -4.814 1.00 6.36 C ATOM 566 O ILE A 36 -8.451 -1.630 -5.001 1.00 6.18 O ATOM 567 CB ILE A 36 -9.620 -2.940 -2.673 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.913 -4.282 -1.845 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.242 -1.722 -1.947 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.314 -4.265 -0.419 1.00 9.49 C ATOM 0 H ILE A 36 -8.919 -4.399 -4.904 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.342 -2.996 -4.017 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.537 -2.843 -2.754 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.991 -4.431 -1.777 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.508 -5.134 -2.392 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.820 -1.641 -0.945 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.022 -0.813 -2.507 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.322 -1.853 -1.877 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.549 -5.202 0.086 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.232 -4.147 -0.480 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.738 -3.434 0.144 1.00 9.49 H new ATOM 582 N PRO A 37 -10.446 -0.867 -5.361 1.00 8.65 N ATOM 583 CA PRO A 37 -9.862 0.288 -6.075 1.00 9.18 C ATOM 584 C PRO A 37 -9.049 1.239 -5.283 1.00 9.85 C ATOM 585 O PRO A 37 -9.396 1.459 -4.159 1.00 8.51 O ATOM 586 CB PRO A 37 -11.183 0.922 -6.658 1.00 11.42 C ATOM 587 CG PRO A 37 -12.051 -0.267 -7.015 1.00 9.27 C ATOM 588 CD PRO A 37 -11.848 -1.121 -5.718 1.00 8.33 C ATOM 0 HA PRO A 37 -9.100 -0.005 -6.797 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.672 1.564 -5.925 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -10.975 1.538 -7.533 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.093 0.007 -7.179 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -11.711 -0.781 -7.914 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.527 -0.813 -4.923 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.031 -2.180 -5.901 1.00 8.33 H new ATOM 596 N PRO A 38 -7.941 1.796 -5.733 1.00 8.71 N ATOM 597 CA PRO A 38 -7.082 2.756 -5.003 1.00 9.08 C ATOM 598 C PRO A 38 -7.692 3.937 -4.426 1.00 9.28 C ATOM 599 O PRO A 38 -7.216 4.491 -3.452 1.00 6.50 O ATOM 600 CB PRO A 38 -6.083 3.169 -6.014 1.00 10.31 C ATOM 601 CG PRO A 38 -5.765 1.937 -6.753 1.00 10.81 C ATOM 602 CD PRO A 38 -7.109 1.173 -6.836 1.00 12.00 C ATOM 0 HA PRO A 38 -6.709 2.247 -4.114 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.485 3.935 -6.677 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.194 3.589 -5.543 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.374 2.160 -7.746 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.006 1.349 -6.236 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.580 1.295 -7.811 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -6.972 0.103 -6.680 1.00 12.00 H new ATOM 610 N ASP A 39 -8.852 4.338 -4.971 1.00 11.20 N ATOM 611 CA ASP A 39 -9.671 5.405 -4.499 1.00 14.96 C ATOM 612 C ASP A 39 -10.182 5.123 -3.115 1.00 13.99 C ATOM 613 O ASP A 39 -10.495 6.038 -2.329 1.00 13.75 O ATOM 614 CB ASP A 39 -10.875 5.349 -5.366 1.00 24.16 C ATOM 615 CG ASP A 39 -10.516 5.455 -6.809 1.00 31.06 C ATOM 616 OD1 ASP A 39 -10.120 6.571 -7.206 1.00 35.55 O ATOM 617 OD2 ASP A 39 -10.672 4.386 -7.478 1.00 34.22 O ATOM 0 H ASP A 39 -9.242 3.885 -5.797 1.00 11.20 H new ATOM 0 HA ASP A 39 -9.116 6.343 -4.505 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.408 4.414 -5.190 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.555 6.158 -5.099 1.00 24.16 H new ATOM 622 N GLN A 40 -10.307 3.827 -2.735 1.00 11.60 N ATOM 623 CA GLN A 40 -10.910 3.404 -1.480 1.00 10.76 C ATOM 624 C GLN A 40 -9.846 2.750 -0.607 1.00 8.01 C ATOM 625 O GLN A 40 -10.167 2.249 0.500 1.00 8.96 O ATOM 626 CB GLN A 40 -11.977 2.337 -1.688 1.00 11.14 C ATOM 627 CG GLN A 40 -13.184 2.927 -2.539 1.00 14.85 C ATOM 628 CD GLN A 40 -14.118 1.688 -2.961 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.524 1.458 -4.096 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.527 0.956 -1.924 1.00 18.16 N ATOM 0 H GLN A 40 -9.983 3.049 -3.310 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.347 4.294 -1.028 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.547 1.477 -2.201 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.341 1.983 -0.723 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.749 3.653 -1.954 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.814 3.448 -3.422 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.180 1.160 -0.987 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.187 0.192 -2.068 1.00 18.16 H new ATOM 639 N GLN A 41 -8.491 2.813 -1.004 1.00 6.52 N ATOM 640 CA GLN A 41 -7.446 2.287 -0.178 1.00 3.87 C ATOM 641 C GLN A 41 -6.693 3.397 0.472 1.00 4.79 C ATOM 642 O GLN A 41 -6.494 4.479 -0.091 1.00 6.34 O ATOM 643 CB GLN A 41 -6.353 1.588 -1.053 1.00 4.20 C ATOM 644 CG GLN A 41 -6.862 0.344 -1.810 1.00 3.20 C ATOM 645 CD GLN A 41 -5.727 -0.255 -2.620 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.615 -0.122 -2.213 1.00 5.21 O ATOM 647 NE2 GLN A 41 -5.957 -0.749 -3.831 1.00 7.13 N ATOM 0 H GLN A 41 -8.171 3.225 -1.880 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.926 1.613 0.531 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.964 2.307 -1.774 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.520 1.297 -0.413 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.247 -0.392 -1.104 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.687 0.618 -2.467 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -6.915 -0.856 -4.164 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.176 -1.021 -4.428 1.00 7.13 H new ATOM 656 N ARG A 42 -6.280 3.236 1.738 1.00 5.73 N ATOM 657 CA ARG A 42 -5.288 4.077 2.336 1.00 6.97 C ATOM 658 C ARG A 42 -4.279 3.162 2.926 1.00 7.15 C ATOM 659 O ARG A 42 -4.583 2.128 3.567 1.00 7.33 O ATOM 660 CB ARG A 42 -5.874 4.963 3.410 1.00 13.23 C ATOM 661 CG ARG A 42 -4.941 5.622 4.439 1.00 21.27 C ATOM 662 CD ARG A 42 -5.633 6.564 5.445 1.00 26.14 C ATOM 663 NE ARG A 42 -6.020 7.775 4.637 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.247 8.243 4.487 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.341 7.557 4.796 1.00 35.30 N ATOM 666 NH2 ARG A 42 -7.367 9.424 3.867 1.00 36.39 N ATOM 0 H ARG A 42 -6.639 2.511 2.359 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.855 4.744 1.590 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.425 5.760 2.911 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -6.602 4.369 3.962 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -4.427 4.837 4.995 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -4.177 6.186 3.904 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -6.507 6.091 5.892 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -4.963 6.831 6.262 1.00 26.14 H new ATOM 0 HE ARG A 42 -5.269 8.278 4.164 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.261 6.612 5.173 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.261 7.975 4.657 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -6.535 9.914 3.538 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.290 9.833 3.724 1.00 36.39 H new ATOM 680 N LEU A 43 -2.983 3.514 2.754 1.00 4.65 N ATOM 681 CA LEU A 43 -1.935 2.704 3.303 1.00 3.51 C ATOM 682 C LEU A 43 -1.251 3.479 4.411 1.00 5.56 C ATOM 683 O LEU A 43 -0.901 4.661 4.296 1.00 4.19 O ATOM 684 CB LEU A 43 -0.934 2.255 2.197 1.00 3.74 C ATOM 685 CG LEU A 43 -1.542 1.104 1.342 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.851 0.892 0.006 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.555 -0.171 2.130 1.00 6.41 C ATOM 0 H LEU A 43 -2.669 4.341 2.246 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.356 1.790 3.722 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.689 3.101 1.555 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.003 1.922 2.655 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.561 1.410 1.104 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.334 0.073 -0.528 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.920 1.803 -0.588 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.198 0.647 0.174 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.982 -0.969 1.523 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.536 -0.435 2.412 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.157 -0.037 3.029 1.00 6.41 H new ATOM 699 N ILE A 44 -1.039 2.714 5.529 1.00 4.58 N ATOM 700 CA ILE A 44 -0.322 3.245 6.670 1.00 5.55 C ATOM 701 C ILE A 44 1.034 2.537 6.769 1.00 5.46 C ATOM 702 O ILE A 44 1.065 1.341 6.574 1.00 6.04 O ATOM 703 CB ILE A 44 -1.008 3.132 8.037 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.421 3.743 7.902 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.226 3.672 9.258 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.440 5.187 7.458 1.00 13.90 C ATOM 0 H ILE A 44 -1.358 1.751 5.636 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.254 4.314 6.471 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.058 2.071 8.283 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.993 3.149 7.189 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.930 3.665 8.863 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.820 3.533 10.161 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.715 3.131 9.356 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.021 4.733 9.119 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.471 5.533 7.390 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -1.899 5.797 8.181 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -1.963 5.274 6.482 1.00 13.90 H new ATOM 718 N PHE A 45 2.133 3.294 7.025 1.00 6.75 N ATOM 719 CA PHE A 45 3.451 2.771 7.360 1.00 4.70 C ATOM 720 C PHE A 45 4.027 3.910 8.163 1.00 6.34 C ATOM 721 O PHE A 45 3.933 5.096 7.748 1.00 5.45 O ATOM 722 CB PHE A 45 4.299 2.408 6.120 1.00 5.51 C ATOM 723 CG PHE A 45 5.549 1.739 6.469 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.559 0.341 6.666 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.726 2.497 6.595 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.814 -0.335 6.920 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.957 1.840 6.830 1.00 6.64 C ATOM 728 CZ PHE A 45 7.994 0.437 6.996 1.00 6.84 C ATOM 0 H PHE A 45 2.108 4.313 6.999 1.00 6.75 H new ATOM 0 HA PHE A 45 3.423 1.824 7.898 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.717 1.762 5.463 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.522 3.315 5.559 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.637 -0.220 6.628 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.691 3.573 6.513 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.847 -1.407 7.049 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.871 2.413 6.883 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.939 -0.052 7.184 1.00 6.84 H new ATOM 738 N ALA A 46 4.584 3.493 9.336 1.00 6.53 N ATOM 739 CA ALA A 46 5.271 4.366 10.276 1.00 7.15 C ATOM 740 C ALA A 46 4.521 5.636 10.663 1.00 9.00 C ATOM 741 O ALA A 46 5.086 6.724 10.725 1.00 11.15 O ATOM 742 CB ALA A 46 6.780 4.453 9.827 1.00 8.99 C ATOM 0 H ALA A 46 4.556 2.520 9.641 1.00 6.53 H new ATOM 0 HA ALA A 46 5.281 3.939 11.279 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.327 5.102 10.512 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.222 3.457 9.841 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.836 4.861 8.818 1.00 8.99 H new ATOM 748 N GLY A 47 3.202 5.511 10.984 1.00 9.35 N ATOM 749 CA GLY A 47 2.280 6.547 11.495 1.00 11.68 C ATOM 750 C GLY A 47 1.920 7.592 10.523 1.00 11.14 C ATOM 751 O GLY A 47 1.258 8.554 10.916 1.00 13.93 O ATOM 0 H GLY A 47 2.728 4.614 10.882 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.367 6.062 11.839 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.736 7.021 12.364 1.00 11.68 H new ATOM 755 N LYS A 48 2.245 7.390 9.206 1.00 10.47 N ATOM 756 CA LYS A 48 1.971 8.312 8.088 1.00 8.82 C ATOM 757 C LYS A 48 0.819 7.743 7.286 1.00 7.68 C ATOM 758 O LYS A 48 0.566 6.536 7.342 1.00 6.47 O ATOM 759 CB LYS A 48 3.236 8.486 7.215 1.00 9.74 C ATOM 760 CG LYS A 48 4.342 9.158 8.049 1.00 14.14 C ATOM 761 CD LYS A 48 5.696 8.766 7.462 1.00 16.32 C ATOM 762 CE LYS A 48 6.906 9.060 8.235 1.00 20.04 C ATOM 763 NZ LYS A 48 7.346 10.374 8.102 1.00 23.92 N ATOM 0 H LYS A 48 2.723 6.543 8.898 1.00 10.47 H new ATOM 0 HA LYS A 48 1.701 9.300 8.461 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.577 7.517 6.852 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.006 9.092 6.339 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.222 10.241 8.035 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.275 8.844 9.091 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.677 7.693 7.272 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.793 9.259 6.495 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.713 8.855 9.288 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.702 8.385 7.919 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.204 10.512 8.674 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.561 10.569 7.103 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 6.603 11.024 8.429 1.00 23.92 H new ATOM 777 N GLN A 49 0.114 8.541 6.461 1.00 8.89 N ATOM 778 CA GLN A 49 -0.985 8.111 5.620 1.00 7.18 C ATOM 779 C GLN A 49 -0.502 8.028 4.173 1.00 8.23 C ATOM 780 O GLN A 49 -1.210 7.787 3.171 1.00 9.70 O ATOM 781 CB GLN A 49 -2.246 8.988 5.662 1.00 11.67 C ATOM 782 CG GLN A 49 -2.835 9.185 7.081 1.00 15.82 C ATOM 783 CD GLN A 49 -4.110 9.924 7.062 1.00 20.21 C ATOM 784 OE1 GLN A 49 -5.041 9.399 7.646 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.172 11.109 6.411 1.00 20.67 N ATOM 0 H GLN A 49 0.313 9.537 6.369 1.00 8.89 H new ATOM 0 HA GLN A 49 -1.287 7.144 6.024 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.010 9.965 5.240 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -3.008 8.541 5.023 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.989 8.211 7.546 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.116 9.723 7.699 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.343 11.479 5.946 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.048 11.632 6.385 1.00 20.67 H new ATOM 794 N LEU A 50 0.810 8.284 4.011 1.00 6.51 N ATOM 795 CA LEU A 50 1.627 8.289 2.846 1.00 7.41 C ATOM 796 C LEU A 50 1.145 9.262 1.763 1.00 8.27 C ATOM 797 O LEU A 50 0.321 10.214 2.049 1.00 8.34 O ATOM 798 CB LEU A 50 1.995 6.899 2.320 1.00 7.13 C ATOM 799 CG LEU A 50 2.539 5.904 3.394 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.594 4.530 2.705 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.829 6.340 4.111 1.00 9.11 C ATOM 0 H LEU A 50 1.372 8.522 4.828 1.00 6.51 H new ATOM 0 HA LEU A 50 2.579 8.696 3.185 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.113 6.459 1.854 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.746 7.011 1.538 1.00 7.13 H new ATOM 0 HG LEU A 50 1.866 5.869 4.251 1.00 7.53 H new ATOM 0 HD11 LEU A 50 2.969 3.785 3.407 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.594 4.248 2.376 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.258 4.582 1.843 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.118 5.578 4.835 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.627 6.467 3.379 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.657 7.284 4.628 1.00 9.11 H new ATOM 813 N GLU A 51 1.741 9.114 0.548 1.00 9.43 N ATOM 814 CA GLU A 51 1.518 9.818 -0.669 1.00 11.90 C ATOM 815 C GLU A 51 1.432 8.789 -1.784 1.00 11.49 C ATOM 816 O GLU A 51 1.786 7.659 -1.515 1.00 9.88 O ATOM 817 CB GLU A 51 2.575 10.852 -0.991 1.00 16.56 C ATOM 818 CG GLU A 51 2.610 12.112 -0.036 1.00 26.06 C ATOM 819 CD GLU A 51 3.399 13.263 -0.590 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.915 13.917 -1.535 1.00 33.44 O ATOM 821 OE2 GLU A 51 4.477 13.600 -0.039 1.00 32.13 O ATOM 0 H GLU A 51 2.467 8.408 0.424 1.00 9.43 H new ATOM 0 HA GLU A 51 0.593 10.384 -0.563 1.00 11.90 H new ATOM 0 HB2 GLU A 51 3.552 10.369 -0.962 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.421 11.197 -2.013 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.589 12.441 0.156 1.00 26.06 H new ATOM 0 HG3 GLU A 51 3.036 11.819 0.924 1.00 26.06 H new ATOM 828 N ASP A 52 0.917 9.105 -3.002 1.00 12.71 N ATOM 829 CA ASP A 52 0.763 8.061 -4.023 1.00 16.56 C ATOM 830 C ASP A 52 1.964 8.085 -4.912 1.00 15.83 C ATOM 831 O ASP A 52 2.437 7.004 -5.333 1.00 17.21 O ATOM 832 CB ASP A 52 -0.447 8.403 -4.859 1.00 21.05 C ATOM 833 CG ASP A 52 -1.775 8.298 -4.070 1.00 25.12 C ATOM 834 OD1 ASP A 52 -1.795 7.779 -2.935 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.808 8.564 -4.719 1.00 25.82 O ATOM 0 H ASP A 52 0.615 10.038 -3.284 1.00 12.71 H new ATOM 0 HA ASP A 52 0.653 7.082 -3.557 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.340 9.416 -5.246 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.488 7.735 -5.720 1.00 21.05 H new ATOM 840 N GLY A 53 2.524 9.252 -5.199 1.00 15.00 N ATOM 841 CA GLY A 53 3.597 9.466 -6.135 1.00 11.77 C ATOM 842 C GLY A 53 4.969 9.197 -5.614 1.00 11.10 C ATOM 843 O GLY A 53 5.967 9.290 -6.268 1.00 11.25 O ATOM 0 H GLY A 53 2.218 10.118 -4.755 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.428 8.833 -7.006 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.554 10.499 -6.479 1.00 11.77 H new ATOM 847 N ARG A 54 5.046 8.867 -4.347 1.00 8.53 N ATOM 848 CA ARG A 54 6.339 8.663 -3.645 1.00 9.05 C ATOM 849 C ARG A 54 6.634 7.244 -3.651 1.00 8.96 C ATOM 850 O ARG A 54 5.711 6.454 -3.857 1.00 11.60 O ATOM 851 CB ARG A 54 6.335 9.133 -2.200 1.00 7.97 C ATOM 852 CG ARG A 54 6.065 10.643 -2.012 1.00 9.62 C ATOM 853 CD ARG A 54 7.251 11.545 -2.335 1.00 12.20 C ATOM 854 NE ARG A 54 6.926 12.909 -1.747 1.00 18.23 N ATOM 855 CZ ARG A 54 6.771 14.004 -2.523 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.358 14.130 -3.718 1.00 25.50 N ATOM 857 NH2 ARG A 54 5.903 14.916 -2.087 1.00 23.38 N ATOM 0 H ARG A 54 4.228 8.727 -3.754 1.00 8.53 H new ATOM 0 HA ARG A 54 7.085 9.256 -4.173 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.578 8.572 -1.652 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.298 8.892 -1.751 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.225 10.930 -2.644 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.762 10.819 -0.980 1.00 9.62 H new ATOM 0 HD2 ARG A 54 8.170 11.146 -1.906 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.405 11.613 -3.412 1.00 12.20 H new ATOM 0 HE ARG A 54 6.822 13.000 -0.736 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.950 13.381 -4.077 1.00 25.50 H new ATOM 0 HH12 ARG A 54 7.213 14.975 -4.271 1.00 25.50 H new ATOM 0 HH21 ARG A 54 5.401 14.765 -1.212 1.00 23.38 H new ATOM 0 HH22 ARG A 54 5.741 15.765 -2.628 1.00 23.38 H new ATOM 871 N THR A 55 7.899 6.827 -3.438 1.00 9.05 N ATOM 872 CA THR A 55 8.336 5.444 -3.639 1.00 9.03 C ATOM 873 C THR A 55 8.697 4.802 -2.281 1.00 8.15 C ATOM 874 O THR A 55 8.907 5.453 -1.263 1.00 5.91 O ATOM 875 CB THR A 55 9.523 5.188 -4.598 1.00 11.15 C ATOM 876 OG1 THR A 55 10.712 5.786 -4.157 1.00 11.95 O ATOM 877 CG2 THR A 55 9.193 5.798 -5.953 1.00 11.71 C ATOM 0 H THR A 55 8.643 7.448 -3.121 1.00 9.05 H new ATOM 0 HA THR A 55 7.471 4.996 -4.128 1.00 9.03 H new ATOM 0 HB THR A 55 9.671 4.109 -4.646 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.503 6.612 -3.673 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.021 5.626 -6.641 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.289 5.336 -6.350 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.032 6.870 -5.840 1.00 11.71 H new ATOM 885 N LEU A 56 8.818 3.496 -2.300 1.00 6.91 N ATOM 886 CA LEU A 56 9.140 2.657 -1.112 1.00 8.29 C ATOM 887 C LEU A 56 10.391 3.097 -0.409 1.00 8.05 C ATOM 888 O LEU A 56 10.451 3.212 0.850 1.00 10.17 O ATOM 889 CB LEU A 56 9.338 1.139 -1.558 1.00 6.60 C ATOM 890 CG LEU A 56 8.100 0.457 -2.214 1.00 7.73 C ATOM 891 CD1 LEU A 56 8.387 -1.002 -2.390 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.852 0.682 -1.371 1.00 8.64 C ATOM 0 H LEU A 56 8.697 2.949 -3.152 1.00 6.91 H new ATOM 0 HA LEU A 56 8.302 2.765 -0.424 1.00 8.29 H new ATOM 0 HB2 LEU A 56 10.170 1.092 -2.261 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.628 0.558 -0.683 1.00 6.60 H new ATOM 0 HG LEU A 56 7.910 0.901 -3.191 1.00 7.73 H new ATOM 0 HD11 LEU A 56 7.527 -1.489 -2.849 1.00 9.85 H new ATOM 0 HD12 LEU A 56 9.259 -1.126 -3.032 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.584 -1.454 -1.418 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.999 0.198 -1.847 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.002 0.258 -0.378 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.660 1.751 -1.284 1.00 8.64 H new ATOM 904 N SER A 57 11.479 3.383 -1.193 1.00 8.92 N ATOM 905 CA SER A 57 12.691 4.047 -0.752 1.00 9.00 C ATOM 906 C SER A 57 12.579 5.333 0.068 1.00 9.44 C ATOM 907 O SER A 57 13.319 5.623 1.024 1.00 10.91 O ATOM 908 CB SER A 57 13.542 4.305 -2.024 1.00 10.32 C ATOM 909 OG SER A 57 14.766 4.892 -1.714 1.00 13.59 O ATOM 0 H SER A 57 11.508 3.136 -2.182 1.00 8.92 H new ATOM 0 HA SER A 57 13.137 3.368 -0.026 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.712 3.363 -2.546 1.00 10.32 H new ATOM 0 HB3 SER A 57 12.990 4.952 -2.706 1.00 10.32 H new ATOM 0 HG SER A 57 15.276 5.039 -2.538 1.00 13.59 H new ATOM 915 N ASP A 58 11.556 6.175 -0.309 1.00 9.11 N ATOM 916 CA ASP A 58 11.272 7.445 0.419 1.00 7.91 C ATOM 917 C ASP A 58 10.814 7.161 1.894 1.00 9.12 C ATOM 918 O ASP A 58 11.014 7.999 2.817 1.00 8.61 O ATOM 919 CB ASP A 58 10.174 8.269 -0.406 1.00 8.41 C ATOM 920 CG ASP A 58 10.668 8.749 -1.769 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.590 9.611 -1.744 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.253 8.194 -2.784 1.00 11.70 O ATOM 0 H ASP A 58 10.933 5.994 -1.096 1.00 9.11 H new ATOM 0 HA ASP A 58 12.180 8.043 0.493 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.293 7.643 -0.548 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.861 9.132 0.182 1.00 8.41 H new ATOM 927 N TYR A 59 10.267 5.991 2.151 1.00 7.97 N ATOM 928 CA TYR A 59 9.693 5.579 3.412 1.00 8.45 C ATOM 929 C TYR A 59 10.337 4.492 4.156 1.00 10.98 C ATOM 930 O TYR A 59 9.854 4.045 5.206 1.00 12.95 O ATOM 931 CB TYR A 59 8.228 5.148 3.303 1.00 7.94 C ATOM 932 CG TYR A 59 7.436 6.332 2.743 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.302 7.452 3.520 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.828 6.328 1.443 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.403 8.471 3.140 1.00 5.39 C ATOM 936 CE2 TYR A 59 6.000 7.360 1.033 1.00 6.52 C ATOM 937 CZ TYR A 59 5.830 8.434 1.868 1.00 6.76 C ATOM 938 OH TYR A 59 4.841 9.289 1.500 1.00 7.63 O ATOM 0 H TYR A 59 10.209 5.260 1.442 1.00 7.97 H new ATOM 0 HA TYR A 59 9.845 6.508 3.961 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.132 4.280 2.650 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.841 4.857 4.280 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.884 7.555 4.424 1.00 4.59 H new ATOM 0 HD2 TYR A 59 7.020 5.504 0.771 1.00 6.98 H new ATOM 0 HE1 TYR A 59 6.161 9.270 3.825 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.499 7.319 0.077 1.00 6.52 H new ATOM 0 HH TYR A 59 4.576 9.104 0.575 1.00 7.63 H new ATOM 948 N ASN A 60 11.502 3.913 3.703 1.00 12.38 N ATOM 949 CA ASN A 60 12.098 2.800 4.426 1.00 13.94 C ATOM 950 C ASN A 60 11.217 1.562 4.449 1.00 14.16 C ATOM 951 O ASN A 60 11.207 0.796 5.412 1.00 14.26 O ATOM 952 CB ASN A 60 12.664 3.132 5.851 1.00 19.23 C ATOM 953 CG ASN A 60 13.755 4.163 5.641 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.644 4.030 4.827 1.00 25.45 O ATOM 955 ND2 ASN A 60 13.802 5.307 6.396 1.00 24.09 N ATOM 0 H ASN A 60 12.009 4.207 2.868 1.00 12.38 H new ATOM 0 HA ASN A 60 12.980 2.573 3.827 1.00 13.94 H new ATOM 0 HB2 ASN A 60 11.880 3.521 6.501 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.061 2.237 6.331 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.554 5.982 6.253 1.00 24.09 H new ATOM 0 HD22 ASN A 60 13.085 5.483 7.100 1.00 24.09 H new ATOM 962 N ILE A 61 10.520 1.315 3.338 1.00 11.08 N ATOM 963 CA ILE A 61 9.841 0.054 3.186 1.00 11.78 C ATOM 964 C ILE A 61 10.835 -0.931 2.538 1.00 13.74 C ATOM 965 O ILE A 61 11.570 -0.630 1.577 1.00 14.60 O ATOM 966 CB ILE A 61 8.590 0.252 2.324 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.621 1.138 3.075 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.005 -1.121 1.908 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.660 1.881 2.209 1.00 11.42 C ATOM 0 H ILE A 61 10.419 1.962 2.556 1.00 11.08 H new ATOM 0 HA ILE A 61 9.513 -0.346 4.145 1.00 11.78 H new ATOM 0 HB ILE A 61 8.828 0.760 1.389 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.057 0.524 3.777 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.189 1.857 3.665 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.116 -0.967 1.296 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.749 -1.675 1.335 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.738 -1.688 2.800 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.005 2.490 2.832 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.211 2.525 1.524 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.061 1.171 1.638 1.00 11.42 H new ATOM 981 N GLN A 62 10.965 -2.160 3.129 1.00 13.97 N ATOM 982 CA GLN A 62 12.032 -3.081 2.943 1.00 15.52 C ATOM 983 C GLN A 62 11.467 -4.417 2.525 1.00 13.94 C ATOM 984 O GLN A 62 10.267 -4.620 2.317 1.00 12.15 O ATOM 985 CB GLN A 62 12.930 -3.185 4.280 1.00 19.53 C ATOM 986 CG GLN A 62 13.459 -1.828 4.714 1.00 26.38 C ATOM 987 CD GLN A 62 14.415 -1.909 5.840 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.622 -2.101 5.679 1.00 33.23 O ATOM 989 NE2 GLN A 62 13.928 -1.571 7.085 1.00 32.71 N ATOM 0 H GLN A 62 10.263 -2.514 3.779 1.00 13.97 H new ATOM 0 HA GLN A 62 12.693 -2.730 2.150 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.335 -3.617 5.085 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.766 -3.861 4.104 1.00 19.53 H new ATOM 0 HG2 GLN A 62 13.946 -1.347 3.866 1.00 26.38 H new ATOM 0 HG3 GLN A 62 12.621 -1.194 5.002 1.00 26.38 H new ATOM 0 HE21 GLN A 62 12.929 -1.413 7.216 1.00 32.71 H new ATOM 0 HE22 GLN A 62 14.567 -1.479 7.875 1.00 32.71 H new ATOM 998 N LYS A 63 12.363 -5.360 2.341 1.00 11.73 N ATOM 999 CA LYS A 63 12.134 -6.791 2.091 1.00 11.97 C ATOM 1000 C LYS A 63 11.357 -7.362 3.279 1.00 10.41 C ATOM 1001 O LYS A 63 11.792 -7.321 4.455 1.00 9.59 O ATOM 1002 CB LYS A 63 13.535 -7.458 1.927 1.00 13.73 C ATOM 1003 CG LYS A 63 13.528 -8.987 1.645 1.00 16.98 C ATOM 1004 CD LYS A 63 14.900 -9.614 1.714 1.00 20.19 C ATOM 1005 CE LYS A 63 14.978 -11.076 1.172 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.340 -11.567 1.068 1.00 25.97 N ATOM 0 H LYS A 63 13.359 -5.141 2.362 1.00 11.73 H new ATOM 0 HA LYS A 63 11.549 -6.976 1.190 1.00 11.97 H new ATOM 0 HB2 LYS A 63 14.060 -6.960 1.112 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.111 -7.278 2.835 1.00 13.73 H new ATOM 0 HG2 LYS A 63 12.875 -9.479 2.365 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.104 -9.165 0.657 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.596 -8.994 1.149 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.236 -9.607 2.751 1.00 20.19 H new ATOM 0 HE2 LYS A 63 14.409 -11.733 1.830 1.00 23.42 H new ATOM 0 HE3 LYS A 63 14.505 -11.120 0.191 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 16.331 -12.541 0.703 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.879 -10.959 0.419 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.787 -11.553 2.007 1.00 25.97 H new ATOM 1020 N GLU A 64 10.244 -7.976 3.000 1.00 10.04 N ATOM 1021 CA GLU A 64 9.367 -8.689 3.870 1.00 10.94 C ATOM 1022 C GLU A 64 8.799 -7.726 4.961 1.00 9.74 C ATOM 1023 O GLU A 64 8.455 -8.041 6.111 1.00 9.42 O ATOM 1024 CB GLU A 64 9.903 -10.022 4.284 1.00 18.31 C ATOM 1025 CG GLU A 64 9.777 -11.084 3.195 1.00 24.16 C ATOM 1026 CD GLU A 64 10.360 -12.382 3.709 1.00 29.00 C ATOM 1027 OE1 GLU A 64 9.867 -12.975 4.715 1.00 31.72 O ATOM 1028 OE2 GLU A 64 11.255 -12.929 2.983 1.00 32.61 O ATOM 0 H GLU A 64 9.893 -7.987 2.042 1.00 10.04 H new ATOM 0 HA GLU A 64 8.476 -9.018 3.336 1.00 10.94 H new ATOM 0 HB2 GLU A 64 10.952 -9.915 4.559 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.373 -10.359 5.175 1.00 18.31 H new ATOM 0 HG2 GLU A 64 8.731 -11.222 2.922 1.00 24.16 H new ATOM 0 HG3 GLU A 64 10.302 -10.765 2.294 1.00 24.16 H new ATOM 1035 N SER A 65 8.651 -6.430 4.617 1.00 6.85 N ATOM 1036 CA SER A 65 7.953 -5.460 5.362 1.00 6.90 C ATOM 1037 C SER A 65 6.453 -5.542 5.162 1.00 4.72 C ATOM 1038 O SER A 65 5.881 -5.833 4.131 1.00 3.91 O ATOM 1039 CB SER A 65 8.276 -3.948 5.006 1.00 7.28 C ATOM 1040 OG SER A 65 9.620 -3.567 5.237 1.00 10.56 O ATOM 0 H SER A 65 9.051 -6.051 3.759 1.00 6.85 H new ATOM 0 HA SER A 65 8.285 -5.700 6.372 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.038 -3.776 3.956 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.622 -3.302 5.592 1.00 7.28 H new ATOM 0 HG SER A 65 9.643 -2.664 5.616 1.00 10.56 H new ATOM 1046 N THR A 66 5.772 -5.222 6.289 1.00 4.48 N ATOM 1047 CA THR A 66 4.318 -5.129 6.334 1.00 3.80 C ATOM 1048 C THR A 66 3.800 -3.720 6.148 1.00 4.60 C ATOM 1049 O THR A 66 4.382 -2.754 6.664 1.00 5.33 O ATOM 1050 CB THR A 66 3.916 -5.594 7.771 1.00 2.85 C ATOM 1051 OG1 THR A 66 3.927 -7.008 7.824 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.517 -5.210 8.173 1.00 3.40 C ATOM 0 H THR A 66 6.226 -5.025 7.181 1.00 4.48 H new ATOM 0 HA THR A 66 3.899 -5.730 5.527 1.00 3.80 H new ATOM 0 HB THR A 66 4.633 -5.112 8.435 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.677 -7.304 8.724 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.317 -5.569 9.182 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.416 -4.125 8.148 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.804 -5.657 7.481 1.00 3.40 H new ATOM 1060 N LEU A 67 2.742 -3.519 5.335 1.00 4.17 N ATOM 1061 CA LEU A 67 2.027 -2.296 5.082 1.00 3.85 C ATOM 1062 C LEU A 67 0.673 -2.647 5.545 1.00 3.80 C ATOM 1063 O LEU A 67 0.186 -3.768 5.458 1.00 5.54 O ATOM 1064 CB LEU A 67 1.939 -1.868 3.618 1.00 7.18 C ATOM 1065 CG LEU A 67 3.133 -1.169 3.002 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.440 -2.116 3.011 1.00 8.12 C ATOM 1067 CD2 LEU A 67 2.817 -0.588 1.636 1.00 11.66 C ATOM 0 H LEU A 67 2.348 -4.293 4.800 1.00 4.17 H new ATOM 0 HA LEU A 67 2.525 -1.457 5.568 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.731 -2.758 3.023 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.078 -1.208 3.516 1.00 7.18 H new ATOM 0 HG LEU A 67 3.374 -0.312 3.630 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.278 -1.583 2.562 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.688 -2.383 4.038 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.237 -3.022 2.439 1.00 8.12 H new ATOM 0 HD21 LEU A 67 3.704 -0.097 1.235 1.00 11.66 H new ATOM 0 HD22 LEU A 67 2.510 -1.388 0.963 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.010 0.139 1.728 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.084 -1.629 6.045 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.298 -1.770 6.651 1.00 4.17 C ATOM 1081 C HIS A 68 -2.332 -1.134 5.773 1.00 5.32 C ATOM 1082 O HIS A 68 -2.194 0.056 5.478 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.246 -0.950 7.940 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.123 -1.477 8.887 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -0.103 -2.769 9.304 1.00 13.74 N ATOM 1086 CD2 HIS A 68 1.066 -0.953 9.318 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.029 -2.966 9.998 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.809 -1.889 10.029 1.00 16.30 N ATOM 0 H HIS A 68 0.219 -0.656 5.997 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.528 -2.819 6.835 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.065 0.098 7.702 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.209 -1.000 8.448 1.00 5.57 H new ATOM 0 HD2 HIS A 68 1.387 0.061 9.129 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.280 -3.899 10.480 1.00 14.75 H new ATOM 0 HE2 HIS A 68 2.724 -1.777 10.466 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.397 -1.895 5.411 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.476 -1.279 4.661 1.00 3.97 C ATOM 1098 C LEU A 69 -5.714 -0.814 5.548 1.00 5.07 C ATOM 1099 O LEU A 69 -6.264 -1.624 6.305 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.811 -2.307 3.553 1.00 6.08 C ATOM 1101 CG LEU A 69 -6.037 -2.019 2.685 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.634 -0.935 1.735 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.599 -3.213 1.894 1.00 9.96 C ATOM 0 H LEU A 69 -3.514 -2.886 5.622 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.176 -0.323 4.231 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.944 -2.392 2.897 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.951 -3.280 4.025 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.851 -1.742 3.355 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.475 -0.688 1.087 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.337 -0.050 2.298 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.796 -1.277 1.127 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.465 -2.891 1.316 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.833 -3.595 1.219 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.897 -4.000 2.586 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.174 0.399 5.309 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.303 1.076 5.974 1.00 6.26 C ATOM 1117 C VAL A 70 -8.216 1.732 4.921 1.00 9.22 C ATOM 1118 O VAL A 70 -7.872 1.900 3.755 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.904 2.013 7.147 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -5.888 1.331 7.996 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.338 3.370 6.623 1.00 8.54 C ATOM 0 H VAL A 70 -5.747 0.991 4.596 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.882 0.307 6.486 1.00 6.26 H new ATOM 0 HB VAL A 70 -7.795 2.230 7.736 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -5.605 1.985 8.821 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -6.307 0.407 8.393 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.007 1.102 7.396 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.068 4.003 7.469 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.454 3.184 6.013 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -7.096 3.872 6.021 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.455 2.080 5.392 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.533 2.770 4.597 1.00 16.06 C ATOM 1133 C LEU A 71 -10.163 4.150 4.153 1.00 18.09 C ATOM 1134 O LEU A 71 -9.658 5.004 4.866 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.852 2.780 5.365 1.00 17.10 C ATOM 1136 CG LEU A 71 -13.140 2.947 4.565 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -13.558 1.708 3.772 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -14.293 3.454 5.367 1.00 19.57 C ATOM 0 H LEU A 71 -9.741 1.887 6.352 1.00 12.71 H new ATOM 0 HA LEU A 71 -10.655 2.185 3.685 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.922 1.846 5.922 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.806 3.585 6.098 1.00 17.10 H new ATOM 0 HG LEU A 71 -12.873 3.718 3.843 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -14.483 1.915 3.234 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.774 1.450 3.060 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -13.716 0.874 4.456 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -15.170 3.545 4.726 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -14.507 2.757 6.178 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -14.045 4.430 5.784 1.00 19.57 H new