USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 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 55 THR OG1 : rot -45:sc= 2.04 USER MOD Set 1.2: A 57 SER OG : rot -48:sc= 0.91 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0.526 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.569 K(o=1.1,f=0) USER MOD Set 3.1: A 6 LYS NZ :NH3+ 163:sc= 1.17 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 159:sc= 0.979 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 156:sc= 2.37 (180deg=2.06) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.463 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 164:sc= 1.08 (180deg=0.339) 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 27 LYS NZ :NH3+ 177:sc= 2.36 (180deg=2.3) USER MOD Single : A 29 LYS NZ :NH3+ -177:sc= 0.681 (180deg=0.659) USER MOD Single : A 31 GLN : amide:sc= -0.15 X(o=-0.15,f=-0.55) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.598 K(o=-0.6,f=-2.4!) USER MOD Single : A 41 GLN : amide:sc= 1.67 K(o=1.7,f=-3.7!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.417 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) 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 71:sc= 1.47 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0284 X(o=-0.028,f=-0.49) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.000 -6.589 -5.165 1.00 9.67 N ATOM 2 CA MET A 1 11.115 -6.992 -3.778 1.00 10.38 C ATOM 3 C MET A 1 9.758 -7.325 -3.127 1.00 9.62 C ATOM 4 O MET A 1 8.694 -6.759 -3.482 1.00 9.62 O ATOM 5 CB MET A 1 11.896 -5.944 -3.022 1.00 13.77 C ATOM 6 CG MET A 1 11.212 -4.569 -2.852 1.00 16.29 C ATOM 7 SD MET A 1 12.118 -3.392 -1.840 1.00 17.17 S ATOM 8 CE MET A 1 10.916 -2.015 -1.880 1.00 16.11 C ATOM 0 H1 MET A 1 11.822 -6.009 -5.427 1.00 9.67 H new ATOM 0 H2 MET A 1 10.965 -7.434 -5.770 1.00 9.67 H new ATOM 0 H3 MET A 1 10.130 -6.035 -5.294 1.00 9.67 H new ATOM 0 HA MET A 1 11.665 -7.932 -3.735 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.125 -6.337 -2.031 1.00 13.77 H new ATOM 0 HB3 MET A 1 12.847 -5.792 -3.532 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.056 -4.133 -3.839 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.227 -4.722 -2.412 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.303 -1.177 -1.299 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.758 -1.700 -2.911 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.969 -2.346 -1.453 1.00 16.11 H new ATOM 20 N GLN A 2 9.794 -8.219 -2.108 1.00 9.27 N ATOM 21 CA GLN A 2 8.575 -8.629 -1.534 1.00 9.07 C ATOM 22 C GLN A 2 8.193 -7.846 -0.315 1.00 8.72 C ATOM 23 O GLN A 2 9.027 -7.439 0.497 1.00 8.22 O ATOM 24 CB GLN A 2 8.707 -10.155 -1.192 1.00 14.46 C ATOM 25 CG GLN A 2 7.595 -10.811 -0.327 1.00 17.01 C ATOM 26 CD GLN A 2 7.763 -12.242 0.159 1.00 20.10 C ATOM 27 OE1 GLN A 2 6.835 -13.058 -0.001 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.956 -12.550 0.770 1.00 19.49 N ATOM 0 H GLN A 2 10.637 -8.632 -1.709 1.00 9.27 H new ATOM 0 HA GLN A 2 7.776 -8.446 -2.252 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.765 -10.703 -2.132 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.658 -10.301 -0.679 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.454 -10.183 0.553 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.669 -10.769 -0.901 1.00 17.01 H new ATOM 0 HE21 GLN A 2 9.677 -11.836 0.870 1.00 19.49 H new ATOM 0 HE22 GLN A 2 9.120 -13.493 1.123 1.00 19.49 H new ATOM 37 N ILE A 3 6.863 -7.493 -0.086 1.00 5.87 N ATOM 38 CA ILE A 3 6.354 -6.792 1.078 1.00 5.07 C ATOM 39 C ILE A 3 4.963 -7.396 1.373 1.00 4.01 C ATOM 40 O ILE A 3 4.346 -8.061 0.533 1.00 4.61 O ATOM 41 CB ILE A 3 6.199 -5.275 0.929 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.366 -4.961 -0.299 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.578 -4.710 0.826 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.667 -3.585 -0.332 1.00 10.83 C ATOM 0 H ILE A 3 6.127 -7.716 -0.756 1.00 5.87 H new ATOM 0 HA ILE A 3 7.086 -6.923 1.875 1.00 5.07 H new ATOM 0 HB ILE A 3 5.681 -4.834 1.781 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.010 -5.036 -1.175 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.602 -5.733 -0.398 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.520 -3.627 0.718 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.140 -4.955 1.727 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.081 -5.135 -0.042 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.105 -3.485 -1.261 1.00 10.83 H new ATOM 0 HD12 ILE A 3 3.986 -3.502 0.515 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.416 -2.795 -0.274 1.00 10.83 H new ATOM 56 N PHE A 4 4.511 -7.158 2.607 1.00 4.55 N ATOM 57 CA PHE A 4 3.246 -7.605 3.084 1.00 4.68 C ATOM 58 C PHE A 4 2.347 -6.464 3.508 1.00 5.30 C ATOM 59 O PHE A 4 2.782 -5.625 4.244 1.00 5.58 O ATOM 60 CB PHE A 4 3.537 -8.440 4.379 1.00 4.83 C ATOM 61 CG PHE A 4 4.642 -9.403 4.198 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.617 -10.364 3.183 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.781 -9.316 4.996 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.681 -11.218 2.980 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.902 -10.143 4.855 1.00 10.61 C ATOM 66 CZ PHE A 4 6.808 -11.153 3.824 1.00 8.90 C ATOM 0 H PHE A 4 5.045 -6.635 3.301 1.00 4.55 H new ATOM 0 HA PHE A 4 2.750 -8.159 2.287 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.781 -7.762 5.197 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.635 -8.978 4.670 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.748 -10.439 2.546 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.800 -8.564 5.771 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.651 -11.937 2.174 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.779 -10.034 5.475 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.610 -11.865 3.699 1.00 8.90 H new ATOM 76 N VAL A 5 1.101 -6.459 2.990 1.00 4.44 N ATOM 77 CA VAL A 5 0.092 -5.456 3.437 1.00 3.87 C ATOM 78 C VAL A 5 -0.989 -6.142 4.308 1.00 4.93 C ATOM 79 O VAL A 5 -1.423 -7.211 4.000 1.00 6.84 O ATOM 80 CB VAL A 5 -0.700 -4.814 2.251 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.535 -3.675 2.813 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.400 -4.174 1.382 1.00 9.13 C ATOM 0 H VAL A 5 0.769 -7.114 2.282 1.00 4.44 H new ATOM 0 HA VAL A 5 0.661 -4.696 3.971 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.332 -5.525 1.719 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.100 -3.206 2.007 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.225 -4.065 3.561 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.879 -2.936 3.274 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.054 -3.693 0.516 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.940 -3.431 1.968 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.093 -4.945 1.046 1.00 9.13 H new ATOM 92 N LYS A 6 -1.324 -5.528 5.431 1.00 6.04 N ATOM 93 CA LYS A 6 -2.149 -6.117 6.445 1.00 6.12 C ATOM 94 C LYS A 6 -3.465 -5.355 6.571 1.00 6.57 C ATOM 95 O LYS A 6 -3.513 -4.113 6.745 1.00 5.76 O ATOM 96 CB LYS A 6 -1.415 -6.075 7.804 1.00 7.45 C ATOM 97 CG LYS A 6 -0.196 -7.010 8.004 1.00 11.12 C ATOM 98 CD LYS A 6 -0.648 -8.485 8.127 1.00 14.54 C ATOM 99 CE LYS A 6 0.568 -9.505 8.183 1.00 18.84 C ATOM 100 NZ LYS A 6 0.123 -10.924 8.247 1.00 20.55 N ATOM 0 H LYS A 6 -1.016 -4.582 5.658 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.356 -7.150 6.164 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.081 -5.051 7.971 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.142 -6.304 8.583 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.491 -6.904 7.164 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.350 -6.716 8.901 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.253 -8.600 9.026 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.286 -8.735 7.280 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.196 -9.364 7.303 1.00 18.84 H new ATOM 0 HE3 LYS A 6 1.185 -9.282 9.054 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.916 -11.548 7.995 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.198 -11.144 9.212 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.661 -11.073 7.580 1.00 20.55 H new ATOM 114 N THR A 7 -4.557 -6.061 6.498 1.00 7.41 N ATOM 115 CA THR A 7 -5.930 -5.528 6.445 1.00 7.48 C ATOM 116 C THR A 7 -6.617 -5.493 7.820 1.00 8.75 C ATOM 117 O THR A 7 -6.255 -6.317 8.666 1.00 8.58 O ATOM 118 CB THR A 7 -6.743 -6.253 5.374 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.269 -7.495 5.913 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.992 -6.501 4.056 1.00 9.17 C ATOM 0 H THR A 7 -4.536 -7.080 6.471 1.00 7.41 H new ATOM 0 HA THR A 7 -5.869 -4.480 6.150 1.00 7.48 H new ATOM 0 HB THR A 7 -7.559 -5.581 5.108 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.791 -7.956 5.223 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.647 -7.020 3.356 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.686 -5.547 3.627 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.110 -7.112 4.249 1.00 9.17 H new ATOM 128 N LEU A 8 -7.708 -4.684 7.990 1.00 9.84 N ATOM 129 CA LEU A 8 -8.485 -4.642 9.171 1.00 14.15 C ATOM 130 C LEU A 8 -9.184 -6.022 9.489 1.00 17.37 C ATOM 131 O LEU A 8 -9.149 -6.581 10.583 1.00 17.01 O ATOM 132 CB LEU A 8 -9.526 -3.458 8.931 1.00 16.63 C ATOM 133 CG LEU A 8 -10.706 -3.361 9.878 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.349 -2.896 11.297 1.00 19.31 C ATOM 135 CD2 LEU A 8 -11.659 -2.392 9.186 1.00 18.59 C ATOM 0 H LEU A 8 -8.040 -4.047 7.266 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.871 -4.461 10.053 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -8.980 -2.516 8.976 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.915 -3.553 7.917 1.00 16.63 H new ATOM 0 HG LEU A 8 -11.141 -4.345 10.052 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -11.253 -2.856 11.905 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.643 -3.597 11.743 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.897 -1.905 11.252 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -12.550 -2.257 9.800 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -11.164 -1.431 9.048 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -11.945 -2.795 8.215 1.00 18.59 H new ATOM 147 N THR A 9 -9.846 -6.596 8.403 1.00 18.33 N ATOM 148 CA THR A 9 -10.762 -7.688 8.675 1.00 19.24 C ATOM 149 C THR A 9 -10.126 -9.005 8.507 1.00 19.48 C ATOM 150 O THR A 9 -10.828 -10.041 8.484 1.00 23.14 O ATOM 151 CB THR A 9 -12.016 -7.700 7.716 1.00 18.97 C ATOM 152 OG1 THR A 9 -11.828 -7.943 6.332 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.790 -6.390 7.865 1.00 19.70 C ATOM 0 H THR A 9 -9.748 -6.320 7.426 1.00 18.33 H new ATOM 0 HA THR A 9 -11.067 -7.518 9.707 1.00 19.24 H new ATOM 0 HB THR A 9 -12.552 -8.584 8.062 1.00 18.97 H new ATOM 0 HG1 THR A 9 -12.695 -7.920 5.875 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.655 -6.401 7.202 1.00 19.70 H new ATOM 0 HG22 THR A 9 -13.125 -6.281 8.896 1.00 19.70 H new ATOM 0 HG23 THR A 9 -12.143 -5.553 7.603 1.00 19.70 H new ATOM 161 N GLY A 10 -8.788 -9.171 8.505 1.00 19.43 N ATOM 162 CA GLY A 10 -8.110 -10.420 8.637 1.00 18.74 C ATOM 163 C GLY A 10 -7.527 -11.020 7.375 1.00 17.62 C ATOM 164 O GLY A 10 -7.763 -12.256 7.135 1.00 19.74 O ATOM 0 H GLY A 10 -8.146 -8.385 8.405 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -7.301 -10.293 9.357 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -8.807 -11.141 9.065 1.00 18.74 H new ATOM 168 N LYS A 11 -6.820 -10.304 6.521 1.00 13.56 N ATOM 169 CA LYS A 11 -6.155 -10.891 5.394 1.00 11.91 C ATOM 170 C LYS A 11 -4.818 -10.183 5.282 1.00 10.18 C ATOM 171 O LYS A 11 -4.566 -9.098 5.749 1.00 9.10 O ATOM 172 CB LYS A 11 -6.981 -10.782 4.092 1.00 13.43 C ATOM 173 CG LYS A 11 -6.559 -11.704 2.954 1.00 16.69 C ATOM 174 CD LYS A 11 -7.261 -11.349 1.667 1.00 17.92 C ATOM 175 CE LYS A 11 -8.741 -11.810 1.601 1.00 20.81 C ATOM 176 NZ LYS A 11 -9.063 -12.008 0.194 1.00 21.93 N ATOM 0 H LYS A 11 -6.696 -9.295 6.598 1.00 13.56 H new ATOM 0 HA LYS A 11 -6.023 -11.963 5.542 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -8.025 -10.985 4.330 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.929 -9.753 3.737 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.480 -11.638 2.812 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.783 -12.737 3.219 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.223 -10.268 1.532 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -6.716 -11.794 0.834 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -8.883 -12.733 2.163 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -9.398 -11.062 2.046 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -9.937 -12.566 0.113 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.199 -11.084 -0.264 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.284 -12.515 -0.272 1.00 21.93 H new ATOM 190 N THR A 12 -3.871 -10.937 4.633 1.00 9.63 N ATOM 191 CA THR A 12 -2.524 -10.467 4.270 1.00 9.85 C ATOM 192 C THR A 12 -2.424 -10.445 2.789 1.00 11.66 C ATOM 193 O THR A 12 -2.995 -11.290 2.095 1.00 12.33 O ATOM 194 CB THR A 12 -1.427 -11.387 4.811 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.573 -11.553 6.194 1.00 10.91 O ATOM 196 CG2 THR A 12 -0.059 -10.773 4.629 1.00 9.63 C ATOM 0 H THR A 12 -4.043 -11.902 4.351 1.00 9.63 H new ATOM 0 HA THR A 12 -2.381 -9.478 4.704 1.00 9.85 H new ATOM 0 HB THR A 12 -1.517 -12.328 4.268 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.111 -12.370 6.476 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.699 -11.450 5.023 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.124 -10.601 3.568 1.00 9.63 H new ATOM 0 HG23 THR A 12 -0.012 -9.825 5.164 1.00 9.63 H new ATOM 204 N ILE A 13 -1.847 -9.393 2.141 1.00 10.42 N ATOM 205 CA ILE A 13 -1.746 -9.235 0.714 1.00 11.84 C ATOM 206 C ILE A 13 -0.263 -9.282 0.450 1.00 10.55 C ATOM 207 O ILE A 13 0.463 -8.389 0.898 1.00 11.92 O ATOM 208 CB ILE A 13 -2.412 -7.969 0.197 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.784 -7.771 1.004 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.613 -8.097 -1.321 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.726 -6.632 0.419 1.00 16.46 C ATOM 0 H ILE A 13 -1.430 -8.613 2.649 1.00 10.42 H new ATOM 0 HA ILE A 13 -2.284 -10.016 0.176 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.799 -7.083 0.359 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.331 -8.714 1.005 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.551 -7.536 2.043 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -3.090 -7.194 -1.702 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.646 -8.229 -1.806 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.246 -8.959 -1.533 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.631 -6.563 1.022 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -4.201 -5.677 0.443 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.993 -6.873 -0.610 1.00 16.46 H new ATOM 223 N THR A 14 0.232 -10.264 -0.317 1.00 9.39 N ATOM 224 CA THR A 14 1.653 -10.365 -0.515 1.00 9.63 C ATOM 225 C THR A 14 2.105 -10.014 -1.877 1.00 11.20 C ATOM 226 O THR A 14 1.760 -10.535 -2.927 1.00 11.63 O ATOM 227 CB THR A 14 2.268 -11.755 -0.311 1.00 10.38 C ATOM 228 OG1 THR A 14 2.010 -12.202 1.012 1.00 16.30 O ATOM 229 CG2 THR A 14 3.793 -11.634 -0.400 1.00 11.66 C ATOM 0 H THR A 14 -0.327 -10.973 -0.791 1.00 9.39 H new ATOM 0 HA THR A 14 1.983 -9.662 0.250 1.00 9.63 H new ATOM 0 HB THR A 14 1.852 -12.431 -1.058 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.402 -13.091 1.139 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.245 -12.616 -0.257 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.071 -11.246 -1.380 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.150 -10.954 0.374 1.00 11.66 H new ATOM 237 N LEU A 15 2.882 -8.951 -2.002 1.00 8.29 N ATOM 238 CA LEU A 15 2.970 -8.176 -3.183 1.00 9.03 C ATOM 239 C LEU A 15 4.430 -8.236 -3.601 1.00 8.59 C ATOM 240 O LEU A 15 5.334 -8.500 -2.799 1.00 7.79 O ATOM 241 CB LEU A 15 2.685 -6.655 -2.952 1.00 11.08 C ATOM 242 CG LEU A 15 1.296 -6.390 -2.393 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.154 -4.901 -2.042 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.299 -6.811 -3.485 1.00 15.27 C ATOM 0 H LEU A 15 3.479 -8.610 -1.249 1.00 8.29 H new ATOM 0 HA LEU A 15 2.245 -8.565 -3.898 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.430 -6.251 -2.266 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.799 -6.122 -3.896 1.00 11.08 H new ATOM 0 HG LEU A 15 1.110 -6.952 -1.477 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.157 -4.715 -1.642 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.901 -4.630 -1.296 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.303 -4.300 -2.939 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.719 -6.641 -3.134 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.475 -6.222 -4.385 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.432 -7.869 -3.711 1.00 15.27 H new ATOM 256 N GLU A 16 4.696 -7.883 -4.907 1.00 11.04 N ATOM 257 CA GLU A 16 5.993 -7.733 -5.465 1.00 11.50 C ATOM 258 C GLU A 16 6.013 -6.329 -5.963 1.00 10.13 C ATOM 259 O GLU A 16 5.243 -5.982 -6.853 1.00 9.83 O ATOM 260 CB GLU A 16 6.176 -8.764 -6.696 1.00 17.22 C ATOM 261 CG GLU A 16 7.555 -8.767 -7.236 1.00 23.33 C ATOM 262 CD GLU A 16 8.762 -9.033 -6.332 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.601 -9.820 -5.346 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.833 -8.498 -6.594 1.00 28.90 O ATOM 0 H GLU A 16 3.953 -7.700 -5.582 1.00 11.04 H new ATOM 0 HA GLU A 16 6.792 -7.935 -4.751 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.917 -9.770 -6.364 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.479 -8.502 -7.492 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.583 -9.512 -8.031 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.716 -7.795 -7.703 1.00 23.33 H new ATOM 271 N VAL A 17 6.929 -5.536 -5.448 1.00 8.99 N ATOM 272 CA VAL A 17 7.082 -4.093 -5.688 1.00 8.85 C ATOM 273 C VAL A 17 8.547 -3.741 -5.912 1.00 8.04 C ATOM 274 O VAL A 17 9.430 -4.540 -5.622 1.00 8.99 O ATOM 275 CB VAL A 17 6.584 -3.253 -4.488 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.073 -3.421 -4.476 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.292 -3.591 -3.161 1.00 10.54 C ATOM 0 H VAL A 17 7.638 -5.893 -4.808 1.00 8.99 H new ATOM 0 HA VAL A 17 6.485 -3.862 -6.570 1.00 8.85 H new ATOM 0 HB VAL A 17 6.841 -2.200 -4.600 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.650 -2.851 -3.649 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.659 -3.057 -5.416 1.00 12.05 H new ATOM 0 HG13 VAL A 17 4.825 -4.475 -4.354 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.892 -2.963 -2.365 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.124 -4.640 -2.916 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.362 -3.409 -3.263 1.00 10.54 H new ATOM 287 N GLU A 18 8.816 -2.512 -6.422 1.00 7.29 N ATOM 288 CA GLU A 18 10.163 -1.955 -6.615 1.00 7.08 C ATOM 289 C GLU A 18 10.316 -0.622 -5.863 1.00 6.45 C ATOM 290 O GLU A 18 9.279 -0.064 -5.530 1.00 5.28 O ATOM 291 CB GLU A 18 10.422 -1.776 -8.151 1.00 10.28 C ATOM 292 CG GLU A 18 10.512 -3.105 -8.947 1.00 12.65 C ATOM 293 CD GLU A 18 11.735 -4.005 -8.657 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.791 -3.557 -8.149 1.00 18.17 O ATOM 295 OE2 GLU A 18 11.600 -5.167 -9.111 1.00 14.33 O ATOM 0 H GLU A 18 8.078 -1.872 -6.715 1.00 7.29 H new ATOM 0 HA GLU A 18 10.905 -2.641 -6.206 1.00 7.08 H new ATOM 0 HB2 GLU A 18 9.622 -1.168 -8.573 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.350 -1.221 -8.288 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.609 -3.683 -8.748 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.510 -2.866 -10.010 1.00 12.65 H new ATOM 302 N PRO A 19 11.502 -0.070 -5.646 1.00 7.24 N ATOM 303 CA PRO A 19 11.678 1.156 -4.820 1.00 7.07 C ATOM 304 C PRO A 19 11.126 2.338 -5.570 1.00 6.65 C ATOM 305 O PRO A 19 10.794 3.330 -4.941 1.00 6.37 O ATOM 306 CB PRO A 19 13.227 1.219 -4.790 1.00 7.61 C ATOM 307 CG PRO A 19 13.702 -0.231 -4.759 1.00 8.16 C ATOM 308 CD PRO A 19 12.734 -0.890 -5.708 1.00 7.49 C ATOM 0 HA PRO A 19 11.193 1.154 -3.844 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.614 1.739 -5.666 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.579 1.765 -3.915 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.735 -0.331 -5.093 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.648 -0.658 -3.758 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.136 -0.920 -6.721 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.535 -1.920 -5.414 1.00 7.49 H new ATOM 316 N SER A 20 11.120 2.322 -6.922 1.00 6.80 N ATOM 317 CA SER A 20 10.604 3.355 -7.755 1.00 6.28 C ATOM 318 C SER A 20 9.120 3.206 -8.036 1.00 8.45 C ATOM 319 O SER A 20 8.622 3.895 -8.925 1.00 7.26 O ATOM 320 CB SER A 20 11.303 3.481 -9.182 1.00 8.57 C ATOM 321 OG SER A 20 11.329 2.323 -9.997 1.00 11.13 O ATOM 0 H SER A 20 11.499 1.540 -7.456 1.00 6.80 H new ATOM 0 HA SER A 20 10.815 4.245 -7.163 1.00 6.28 H new ATOM 0 HB2 SER A 20 10.798 4.272 -9.736 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.331 3.807 -9.026 1.00 8.57 H new ATOM 0 HG SER A 20 11.781 2.528 -10.842 1.00 11.13 H new ATOM 327 N ASP A 21 8.410 2.270 -7.415 1.00 7.50 N ATOM 328 CA ASP A 21 6.974 2.246 -7.503 1.00 7.70 C ATOM 329 C ASP A 21 6.378 3.293 -6.583 1.00 7.08 C ATOM 330 O ASP A 21 6.768 3.596 -5.493 1.00 8.11 O ATOM 331 CB ASP A 21 6.297 0.896 -7.098 1.00 11.00 C ATOM 332 CG ASP A 21 6.501 -0.161 -8.230 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.323 0.160 -9.408 1.00 18.03 O ATOM 334 OD2 ASP A 21 6.782 -1.316 -7.827 1.00 14.36 O ATOM 0 H ASP A 21 8.814 1.524 -6.849 1.00 7.50 H new ATOM 0 HA ASP A 21 6.778 2.424 -8.560 1.00 7.70 H new ATOM 0 HB2 ASP A 21 6.725 0.530 -6.165 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.233 1.051 -6.921 1.00 11.00 H new ATOM 339 N THR A 22 5.377 3.973 -7.162 1.00 5.37 N ATOM 340 CA THR A 22 4.537 4.792 -6.298 1.00 6.01 C ATOM 341 C THR A 22 3.468 4.033 -5.415 1.00 8.01 C ATOM 342 O THR A 22 3.060 2.881 -5.655 1.00 8.11 O ATOM 343 CB THR A 22 3.844 6.025 -7.024 1.00 8.92 C ATOM 344 OG1 THR A 22 2.949 5.334 -7.912 1.00 10.22 O ATOM 345 CG2 THR A 22 4.817 6.739 -7.947 1.00 9.65 C ATOM 0 H THR A 22 5.144 3.973 -8.155 1.00 5.37 H new ATOM 0 HA THR A 22 5.291 5.168 -5.607 1.00 6.01 H new ATOM 0 HB THR A 22 3.428 6.746 -6.320 1.00 8.92 H new ATOM 0 HG1 THR A 22 2.440 5.987 -8.437 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.313 7.577 -8.429 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.663 7.108 -7.368 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.173 6.044 -8.708 1.00 9.65 H new ATOM 353 N ILE A 23 2.989 4.697 -4.418 1.00 8.32 N ATOM 354 CA ILE A 23 1.936 4.199 -3.524 1.00 9.92 C ATOM 355 C ILE A 23 0.646 3.840 -4.238 1.00 10.01 C ATOM 356 O ILE A 23 0.068 2.819 -4.002 1.00 8.71 O ATOM 357 CB ILE A 23 1.820 5.175 -2.371 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.020 5.089 -1.424 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.490 4.993 -1.662 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.159 3.799 -0.663 1.00 12.30 C ATOM 0 H ILE A 23 3.313 5.633 -4.174 1.00 8.32 H new ATOM 0 HA ILE A 23 2.208 3.228 -3.110 1.00 9.92 H new ATOM 0 HB ILE A 23 1.839 6.188 -2.772 1.00 10.78 H new ATOM 0 HG12 ILE A 23 3.929 5.247 -2.004 1.00 11.38 H new ATOM 0 HG13 ILE A 23 2.953 5.907 -0.707 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.419 5.700 -0.835 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.324 5.172 -2.364 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.419 3.976 -1.277 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.041 3.847 -0.024 1.00 12.30 H new ATOM 0 HD12 ILE A 23 2.273 3.642 -0.048 1.00 12.30 H new ATOM 0 HD13 ILE A 23 3.264 2.972 -1.365 1.00 12.30 H new ATOM 372 N GLU A 24 0.312 4.537 -5.358 1.00 9.54 N ATOM 373 CA GLU A 24 -0.811 4.186 -6.193 1.00 11.81 C ATOM 374 C GLU A 24 -0.558 2.886 -6.928 1.00 11.14 C ATOM 375 O GLU A 24 -1.423 2.017 -7.036 1.00 10.62 O ATOM 376 CB GLU A 24 -0.910 5.382 -7.092 1.00 19.24 C ATOM 377 CG GLU A 24 -2.109 5.296 -8.065 1.00 27.76 C ATOM 378 CD GLU A 24 -2.145 6.499 -8.927 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.285 6.682 -9.804 1.00 34.80 O ATOM 380 OE2 GLU A 24 -3.024 7.372 -8.744 1.00 36.51 O ATOM 0 H GLU A 24 0.829 5.353 -5.685 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.741 3.993 -5.658 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -1.004 6.282 -6.484 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.012 5.479 -7.665 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -2.026 4.400 -8.680 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -3.039 5.212 -7.503 1.00 27.76 H new ATOM 387 N ASN A 25 0.679 2.667 -7.417 1.00 9.43 N ATOM 388 CA ASN A 25 1.133 1.380 -7.970 1.00 10.96 C ATOM 389 C ASN A 25 1.108 0.226 -7.022 1.00 9.68 C ATOM 390 O ASN A 25 0.686 -0.905 -7.413 1.00 9.33 O ATOM 391 CB ASN A 25 2.529 1.510 -8.639 1.00 16.78 C ATOM 392 CG ASN A 25 2.452 2.174 -9.993 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.605 1.574 -11.057 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.279 3.512 -10.050 1.00 24.70 N ATOM 0 H ASN A 25 1.398 3.390 -7.438 1.00 9.43 H new ATOM 0 HA ASN A 25 0.385 1.139 -8.726 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.189 2.086 -7.990 1.00 16.78 H new ATOM 0 HB3 ASN A 25 2.972 0.520 -8.746 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.278 3.988 -10.952 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.149 4.046 -9.191 1.00 24.70 H new ATOM 401 N VAL A 26 1.408 0.378 -5.726 1.00 6.52 N ATOM 402 CA VAL A 26 1.202 -0.672 -4.703 1.00 5.53 C ATOM 403 C VAL A 26 -0.348 -1.013 -4.585 1.00 4.42 C ATOM 404 O VAL A 26 -0.742 -2.192 -4.644 1.00 3.40 O ATOM 405 CB VAL A 26 1.763 -0.230 -3.352 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.720 -1.322 -2.266 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.250 0.195 -3.674 1.00 8.12 C ATOM 0 H VAL A 26 1.804 1.238 -5.348 1.00 6.52 H new ATOM 0 HA VAL A 26 1.738 -1.571 -5.009 1.00 5.53 H new ATOM 0 HB VAL A 26 1.160 0.574 -2.930 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.136 -0.929 -1.338 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.687 -1.629 -2.100 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.306 -2.182 -2.591 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.739 0.530 -2.759 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.792 -0.658 -4.084 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.247 1.006 -4.402 1.00 8.12 H new ATOM 417 N LYS A 27 -1.269 -0.026 -4.617 1.00 2.64 N ATOM 418 CA LYS A 27 -2.679 -0.248 -4.616 1.00 4.14 C ATOM 419 C LYS A 27 -3.217 -0.867 -5.918 1.00 5.58 C ATOM 420 O LYS A 27 -4.169 -1.629 -5.955 1.00 4.11 O ATOM 421 CB LYS A 27 -3.393 1.142 -4.471 1.00 3.97 C ATOM 422 CG LYS A 27 -3.148 1.899 -3.120 1.00 7.45 C ATOM 423 CD LYS A 27 -3.782 3.281 -3.171 1.00 9.02 C ATOM 424 CE LYS A 27 -3.265 4.273 -2.112 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.164 5.431 -2.025 1.00 15.47 N ATOM 0 H LYS A 27 -1.017 0.962 -4.645 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.878 -0.941 -3.798 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -3.066 1.784 -5.289 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.466 0.992 -4.592 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.569 1.328 -2.293 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -2.078 1.988 -2.933 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.611 3.706 -4.160 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.860 3.174 -3.052 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.199 3.780 -1.142 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.259 4.602 -2.371 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.835 6.070 -1.273 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.166 5.938 -2.933 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -5.128 5.107 -1.807 1.00 15.47 H new ATOM 439 N ALA A 28 -2.474 -0.654 -7.018 1.00 6.61 N ATOM 440 CA ALA A 28 -2.822 -1.349 -8.273 1.00 7.74 C ATOM 441 C ALA A 28 -2.525 -2.869 -8.162 1.00 9.17 C ATOM 442 O ALA A 28 -3.360 -3.688 -8.623 1.00 11.45 O ATOM 443 CB ALA A 28 -2.053 -0.784 -9.448 1.00 7.68 C ATOM 0 H ALA A 28 -1.664 -0.036 -7.069 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.888 -1.195 -8.439 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.333 -1.318 -10.356 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.288 0.274 -9.562 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.984 -0.901 -9.273 1.00 7.68 H new ATOM 449 N LYS A 29 -1.364 -3.249 -7.524 1.00 8.96 N ATOM 450 CA LYS A 29 -1.032 -4.568 -7.250 1.00 7.90 C ATOM 451 C LYS A 29 -1.931 -5.213 -6.236 1.00 6.92 C ATOM 452 O LYS A 29 -2.273 -6.380 -6.327 1.00 6.87 O ATOM 453 CB LYS A 29 0.442 -4.524 -6.702 1.00 10.28 C ATOM 454 CG LYS A 29 1.418 -4.158 -7.791 1.00 14.94 C ATOM 455 CD LYS A 29 2.748 -3.857 -7.029 1.00 19.69 C ATOM 456 CE LYS A 29 3.867 -3.338 -8.015 1.00 22.63 C ATOM 457 NZ LYS A 29 4.191 -4.395 -8.989 1.00 24.98 N ATOM 0 H LYS A 29 -0.662 -2.580 -7.206 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.140 -5.168 -8.154 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.510 -3.799 -5.891 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.707 -5.495 -6.284 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.543 -4.973 -8.504 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.077 -3.290 -8.356 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.566 -3.110 -6.256 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.094 -4.760 -6.525 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.523 -2.443 -8.534 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.759 -3.059 -7.455 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.963 -4.073 -9.607 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.487 -5.254 -8.483 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.351 -4.605 -9.566 1.00 24.98 H new ATOM 471 N ILE A 30 -2.428 -4.520 -5.180 1.00 4.57 N ATOM 472 CA ILE A 30 -3.545 -5.018 -4.356 1.00 5.58 C ATOM 473 C ILE A 30 -4.889 -5.182 -5.100 1.00 7.26 C ATOM 474 O ILE A 30 -5.456 -6.236 -4.967 1.00 9.46 O ATOM 475 CB ILE A 30 -3.677 -4.074 -3.171 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.369 -4.020 -2.334 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.779 -4.706 -2.327 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.376 -2.933 -1.232 1.00 2.00 C ATOM 0 H ILE A 30 -2.068 -3.613 -4.883 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.307 -6.035 -4.044 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.887 -3.053 -3.490 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.205 -4.993 -1.870 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.528 -3.840 -3.003 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.953 -4.097 -1.440 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.697 -4.765 -2.912 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.476 -5.708 -2.025 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.430 -2.957 -0.691 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.508 -1.952 -1.689 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.195 -3.123 -0.539 1.00 2.00 H new ATOM 490 N GLN A 31 -5.334 -4.224 -5.944 1.00 7.06 N ATOM 491 CA GLN A 31 -6.449 -4.258 -6.958 1.00 8.67 C ATOM 492 C GLN A 31 -6.277 -5.468 -7.893 1.00 10.90 C ATOM 493 O GLN A 31 -7.212 -6.217 -8.245 1.00 9.63 O ATOM 494 CB GLN A 31 -6.532 -3.049 -7.909 1.00 9.12 C ATOM 495 CG GLN A 31 -7.664 -3.202 -8.960 1.00 10.76 C ATOM 496 CD GLN A 31 -7.850 -1.835 -9.602 1.00 13.78 C ATOM 497 OE1 GLN A 31 -8.860 -1.099 -9.539 1.00 14.48 O ATOM 498 NE2 GLN A 31 -6.824 -1.367 -10.364 1.00 14.76 N ATOM 0 H GLN A 31 -4.885 -3.308 -5.944 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.345 -4.282 -6.338 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.700 -2.143 -7.327 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.578 -2.927 -8.421 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.399 -3.949 -9.709 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.588 -3.537 -8.488 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -5.969 -1.915 -10.460 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -6.910 -0.468 -10.839 1.00 14.76 H new ATOM 507 N ASP A 32 -5.039 -5.754 -8.384 1.00 10.93 N ATOM 508 CA ASP A 32 -4.725 -6.885 -9.215 1.00 14.01 C ATOM 509 C ASP A 32 -4.963 -8.183 -8.444 1.00 14.04 C ATOM 510 O ASP A 32 -5.295 -9.231 -9.039 1.00 13.39 O ATOM 511 CB ASP A 32 -3.252 -6.771 -9.673 1.00 18.01 C ATOM 512 CG ASP A 32 -2.952 -7.783 -10.763 1.00 24.33 C ATOM 513 OD1 ASP A 32 -3.541 -7.768 -11.820 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.069 -8.621 -10.505 1.00 26.29 O ATOM 0 H ASP A 32 -4.227 -5.168 -8.189 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.371 -6.897 -10.093 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.057 -5.764 -10.041 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.588 -6.935 -8.824 1.00 18.01 H new ATOM 519 N LYS A 33 -4.856 -8.246 -7.088 1.00 14.22 N ATOM 520 CA LYS A 33 -5.094 -9.414 -6.280 1.00 14.00 C ATOM 521 C LYS A 33 -6.580 -9.547 -5.856 1.00 12.37 C ATOM 522 O LYS A 33 -7.278 -10.535 -6.105 1.00 12.17 O ATOM 523 CB LYS A 33 -4.321 -9.381 -4.872 1.00 18.62 C ATOM 524 CG LYS A 33 -2.778 -9.611 -4.917 1.00 24.00 C ATOM 525 CD LYS A 33 -2.157 -10.938 -5.407 1.00 27.61 C ATOM 526 CE LYS A 33 -0.643 -11.037 -5.160 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.204 -12.309 -5.722 1.00 30.06 N ATOM 0 H LYS A 33 -4.589 -7.434 -6.531 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.754 -10.227 -6.922 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.508 -8.415 -4.403 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.760 -10.140 -4.224 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.362 -8.821 -5.542 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.407 -9.446 -3.905 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.654 -11.769 -4.906 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.351 -11.048 -6.474 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.120 -10.205 -5.632 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.422 -10.989 -4.094 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.820 -12.418 -5.576 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.706 -13.088 -5.250 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.413 -12.329 -6.741 1.00 30.06 H new ATOM 541 N GLU A 34 -7.065 -8.467 -5.203 1.00 10.11 N ATOM 542 CA GLU A 34 -8.269 -8.387 -4.449 1.00 10.07 C ATOM 543 C GLU A 34 -9.336 -7.595 -5.136 1.00 9.32 C ATOM 544 O GLU A 34 -10.470 -7.484 -4.679 1.00 11.61 O ATOM 545 CB GLU A 34 -8.012 -7.648 -3.144 1.00 14.77 C ATOM 546 CG GLU A 34 -7.069 -8.335 -2.063 1.00 18.75 C ATOM 547 CD GLU A 34 -7.682 -9.606 -1.555 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.882 -9.593 -1.198 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.955 -10.694 -1.557 1.00 25.19 O ATOM 0 H GLU A 34 -6.564 -7.579 -5.210 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.593 -9.418 -4.308 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.583 -6.677 -3.391 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.977 -7.460 -2.673 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.095 -8.546 -2.505 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.900 -7.650 -1.232 1.00 18.75 H new ATOM 556 N GLY A 35 -9.085 -6.956 -6.323 1.00 7.22 N ATOM 557 CA GLY A 35 -10.131 -6.180 -7.001 1.00 6.29 C ATOM 558 C GLY A 35 -10.593 -4.904 -6.410 1.00 6.93 C ATOM 559 O GLY A 35 -11.516 -4.283 -6.966 1.00 7.41 O ATOM 0 H GLY A 35 -8.186 -6.972 -6.805 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -9.775 -5.963 -8.008 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.002 -6.827 -7.103 1.00 6.29 H new ATOM 563 N ILE A 36 -9.986 -4.474 -5.285 1.00 5.86 N ATOM 564 CA ILE A 36 -10.377 -3.221 -4.613 1.00 6.07 C ATOM 565 C ILE A 36 -9.810 -1.947 -5.341 1.00 6.36 C ATOM 566 O ILE A 36 -8.601 -1.931 -5.513 1.00 6.18 O ATOM 567 CB ILE A 36 -9.813 -3.139 -3.175 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.054 -4.498 -2.369 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.418 -1.931 -2.402 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.344 -4.545 -1.029 1.00 9.49 C ATOM 0 H ILE A 36 -9.226 -4.975 -4.825 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.467 -3.236 -4.625 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.737 -2.988 -3.260 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.124 -4.630 -2.208 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.717 -5.336 -2.979 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -10.003 -1.899 -1.395 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.174 -1.006 -2.924 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.501 -2.041 -2.345 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.553 -5.496 -0.539 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.270 -4.445 -1.183 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.698 -3.728 -0.401 1.00 9.49 H new ATOM 582 N PRO A 37 -10.620 -0.938 -5.671 1.00 8.65 N ATOM 583 CA PRO A 37 -10.171 0.383 -6.234 1.00 9.18 C ATOM 584 C PRO A 37 -8.957 1.094 -5.642 1.00 9.85 C ATOM 585 O PRO A 37 -9.138 1.473 -4.486 1.00 8.51 O ATOM 586 CB PRO A 37 -11.398 1.179 -6.227 1.00 11.42 C ATOM 587 CG PRO A 37 -12.545 0.240 -6.486 1.00 9.27 C ATOM 588 CD PRO A 37 -12.094 -1.054 -5.769 1.00 8.33 C ATOM 0 HA PRO A 37 -9.732 0.214 -7.217 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.523 1.683 -5.269 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.357 1.955 -6.992 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.481 0.623 -6.080 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.703 0.078 -7.552 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.551 -1.140 -4.783 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.384 -1.940 -6.333 1.00 8.33 H new ATOM 596 N PRO A 38 -7.806 1.455 -6.276 1.00 8.71 N ATOM 597 CA PRO A 38 -6.825 2.466 -5.828 1.00 9.08 C ATOM 598 C PRO A 38 -7.348 3.779 -5.186 1.00 9.28 C ATOM 599 O PRO A 38 -6.837 4.204 -4.169 1.00 6.50 O ATOM 600 CB PRO A 38 -5.924 2.668 -7.059 1.00 10.31 C ATOM 601 CG PRO A 38 -5.929 1.311 -7.825 1.00 10.81 C ATOM 602 CD PRO A 38 -7.354 0.773 -7.513 1.00 12.00 C ATOM 0 HA PRO A 38 -6.297 2.093 -4.951 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.301 3.473 -7.690 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.912 2.944 -6.761 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.768 1.445 -8.895 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.150 0.637 -7.467 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.035 0.979 -8.339 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.338 -0.308 -7.375 1.00 12.00 H new ATOM 610 N ASP A 39 -8.432 4.469 -5.658 1.00 11.20 N ATOM 611 CA ASP A 39 -8.976 5.639 -4.983 1.00 14.96 C ATOM 612 C ASP A 39 -9.766 5.320 -3.677 1.00 13.99 C ATOM 613 O ASP A 39 -10.144 6.163 -2.884 1.00 13.75 O ATOM 614 CB ASP A 39 -9.878 6.376 -5.906 1.00 24.16 C ATOM 615 CG ASP A 39 -9.143 6.958 -7.116 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.322 7.908 -6.939 1.00 35.55 O ATOM 617 OD2 ASP A 39 -9.253 6.437 -8.268 1.00 34.22 O ATOM 0 H ASP A 39 -8.932 4.214 -6.510 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.112 6.237 -4.694 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.663 5.704 -6.253 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.367 7.183 -5.361 1.00 24.16 H new ATOM 622 N GLN A 40 -10.054 4.058 -3.399 1.00 11.60 N ATOM 623 CA GLN A 40 -10.790 3.644 -2.237 1.00 10.76 C ATOM 624 C GLN A 40 -9.748 3.129 -1.245 1.00 8.01 C ATOM 625 O GLN A 40 -9.955 3.160 0.008 1.00 8.96 O ATOM 626 CB GLN A 40 -11.661 2.446 -2.688 1.00 11.14 C ATOM 627 CG GLN A 40 -12.622 2.039 -1.475 1.00 14.85 C ATOM 628 CD GLN A 40 -13.442 0.756 -1.807 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.615 -0.158 -1.029 1.00 20.52 O ATOM 630 NE2 GLN A 40 -13.997 0.778 -3.094 1.00 18.16 N ATOM 0 H GLN A 40 -9.771 3.281 -3.997 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.399 4.437 -1.802 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.250 2.714 -3.566 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.030 1.604 -2.972 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.027 1.870 -0.578 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.303 2.862 -1.256 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -13.822 1.571 -3.711 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.576 0.001 -3.413 1.00 18.16 H new ATOM 639 N GLN A 41 -8.626 2.545 -1.695 1.00 6.52 N ATOM 640 CA GLN A 41 -7.464 2.124 -0.847 1.00 3.87 C ATOM 641 C GLN A 41 -6.663 3.308 -0.287 1.00 4.79 C ATOM 642 O GLN A 41 -6.517 4.344 -0.995 1.00 6.34 O ATOM 643 CB GLN A 41 -6.484 1.156 -1.540 1.00 4.20 C ATOM 644 CG GLN A 41 -7.070 -0.135 -2.094 1.00 3.20 C ATOM 645 CD GLN A 41 -6.059 -0.895 -2.840 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.935 -0.995 -2.327 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.367 -1.362 -4.080 1.00 7.13 N ATOM 0 H GLN A 41 -8.483 2.340 -2.684 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.945 1.590 -0.028 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.002 1.689 -2.360 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.702 0.895 -0.826 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.457 -0.743 -1.276 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.912 0.095 -2.747 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.312 -1.249 -4.447 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.653 -1.825 -4.642 1.00 7.13 H new ATOM 656 N ARG A 42 -6.090 3.137 0.946 1.00 5.73 N ATOM 657 CA ARG A 42 -5.117 3.995 1.584 1.00 6.97 C ATOM 658 C ARG A 42 -4.161 3.176 2.379 1.00 7.15 C ATOM 659 O ARG A 42 -4.543 2.131 2.899 1.00 7.33 O ATOM 660 CB ARG A 42 -5.777 5.099 2.449 1.00 13.23 C ATOM 661 CG ARG A 42 -6.042 6.358 1.642 1.00 21.27 C ATOM 662 CD ARG A 42 -6.186 7.588 2.465 1.00 26.14 C ATOM 663 NE ARG A 42 -6.421 8.777 1.653 1.00 32.26 N ATOM 664 CZ ARG A 42 -6.243 10.054 2.020 1.00 34.32 C ATOM 665 NH1 ARG A 42 -5.922 10.482 3.215 1.00 35.30 N ATOM 666 NH2 ARG A 42 -6.307 10.974 1.043 1.00 36.39 N ATOM 0 H ARG A 42 -6.331 2.338 1.532 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.567 4.515 0.800 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.715 4.727 2.862 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.129 5.337 3.293 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.226 6.501 0.934 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -6.951 6.217 1.057 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.013 7.459 3.164 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.284 7.731 3.061 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.757 8.620 0.703 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -5.783 9.816 3.975 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -5.811 11.481 3.386 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -6.483 10.685 0.081 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -6.179 11.962 1.263 1.00 36.39 H new ATOM 680 N LEU A 43 -2.904 3.554 2.368 1.00 4.65 N ATOM 681 CA LEU A 43 -1.771 2.709 2.784 1.00 3.51 C ATOM 682 C LEU A 43 -0.963 3.366 3.849 1.00 5.56 C ATOM 683 O LEU A 43 -0.788 4.572 3.806 1.00 4.19 O ATOM 684 CB LEU A 43 -0.760 2.381 1.654 1.00 3.74 C ATOM 685 CG LEU A 43 -1.352 1.571 0.483 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.372 1.218 -0.698 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.136 0.352 1.012 1.00 6.41 C ATOM 0 H LEU A 43 -2.616 4.484 2.063 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.256 1.793 3.121 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.354 3.315 1.265 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.074 1.823 2.080 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.046 2.253 -0.008 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.908 0.648 -1.457 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.013 2.138 -1.139 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.458 0.623 -0.317 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.547 -0.209 0.172 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.467 -0.290 1.584 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.949 0.693 1.654 1.00 6.41 H new ATOM 699 N ILE A 44 -0.526 2.576 4.879 1.00 4.58 N ATOM 700 CA ILE A 44 0.101 3.062 6.081 1.00 5.55 C ATOM 701 C ILE A 44 1.295 2.256 6.343 1.00 5.46 C ATOM 702 O ILE A 44 1.357 1.101 5.906 1.00 6.04 O ATOM 703 CB ILE A 44 -0.823 3.149 7.278 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.135 3.882 6.905 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.128 3.833 8.503 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.168 4.077 7.984 1.00 13.90 C ATOM 0 H ILE A 44 -0.618 1.560 4.863 1.00 4.58 H new ATOM 0 HA ILE A 44 0.388 4.100 5.913 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.070 2.130 7.575 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -1.869 4.865 6.516 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.604 3.332 6.089 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.825 3.875 9.340 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.751 3.256 8.792 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.175 4.844 8.232 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.029 4.604 7.573 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.485 3.106 8.364 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.739 4.662 8.797 1.00 13.90 H new ATOM 718 N PHE A 45 2.378 2.802 6.963 1.00 6.75 N ATOM 719 CA PHE A 45 3.610 2.167 7.338 1.00 4.70 C ATOM 720 C PHE A 45 3.950 2.533 8.741 1.00 6.34 C ATOM 721 O PHE A 45 4.249 3.673 9.048 1.00 5.45 O ATOM 722 CB PHE A 45 4.751 2.555 6.390 1.00 5.51 C ATOM 723 CG PHE A 45 6.047 1.742 6.427 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.107 0.424 6.675 1.00 6.86 C ATOM 725 CD2 PHE A 45 7.271 2.502 6.434 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.320 -0.220 6.785 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.524 1.890 6.506 1.00 6.64 C ATOM 728 CZ PHE A 45 8.514 0.488 6.590 1.00 6.84 C ATOM 0 H PHE A 45 2.380 3.788 7.223 1.00 6.75 H new ATOM 0 HA PHE A 45 3.479 1.087 7.266 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.364 2.513 5.372 1.00 5.51 H new ATOM 0 HB3 PHE A 45 5.008 3.595 6.590 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.192 -0.139 6.790 1.00 6.86 H new ATOM 0 HD2 PHE A 45 7.218 3.579 6.382 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.351 -1.273 7.022 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.442 2.458 6.498 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.444 -0.055 6.503 1.00 6.84 H new ATOM 738 N ALA A 46 3.771 1.622 9.719 1.00 6.53 N ATOM 739 CA ALA A 46 4.080 1.839 11.116 1.00 7.15 C ATOM 740 C ALA A 46 3.617 3.146 11.778 1.00 9.00 C ATOM 741 O ALA A 46 4.405 3.872 12.389 1.00 11.15 O ATOM 742 CB ALA A 46 5.656 1.657 11.302 1.00 8.99 C ATOM 0 H ALA A 46 3.395 0.692 9.535 1.00 6.53 H new ATOM 0 HA ALA A 46 3.483 1.096 11.645 1.00 7.15 H new ATOM 0 HB1 ALA A 46 5.920 1.815 12.348 1.00 8.99 H new ATOM 0 HB2 ALA A 46 5.944 0.649 11.004 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.182 2.383 10.682 1.00 8.99 H new ATOM 748 N GLY A 47 2.354 3.507 11.462 1.00 9.35 N ATOM 749 CA GLY A 47 1.695 4.786 11.862 1.00 11.68 C ATOM 750 C GLY A 47 2.074 5.993 11.017 1.00 11.14 C ATOM 751 O GLY A 47 1.686 7.101 11.373 1.00 13.93 O ATOM 0 H GLY A 47 1.743 2.907 10.908 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.614 4.652 11.814 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.944 4.996 12.902 1.00 11.68 H new ATOM 755 N LYS A 48 2.788 5.936 9.844 1.00 10.47 N ATOM 756 CA LYS A 48 2.905 7.073 8.927 1.00 8.82 C ATOM 757 C LYS A 48 2.020 6.807 7.689 1.00 7.68 C ATOM 758 O LYS A 48 2.099 5.737 7.090 1.00 6.47 O ATOM 759 CB LYS A 48 4.396 7.212 8.384 1.00 9.74 C ATOM 760 CG LYS A 48 5.469 7.554 9.381 1.00 14.14 C ATOM 761 CD LYS A 48 5.292 8.953 10.104 1.00 16.32 C ATOM 762 CE LYS A 48 4.857 10.100 9.224 1.00 20.04 C ATOM 763 NZ LYS A 48 5.335 11.377 9.871 1.00 23.92 N ATOM 0 H LYS A 48 3.284 5.102 9.531 1.00 10.47 H new ATOM 0 HA LYS A 48 2.609 7.973 9.467 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.669 6.271 7.906 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.401 7.978 7.608 1.00 9.74 H new ATOM 0 HG2 LYS A 48 5.501 6.772 10.139 1.00 14.14 H new ATOM 0 HG3 LYS A 48 6.433 7.545 8.872 1.00 14.14 H new ATOM 0 HD2 LYS A 48 4.561 8.837 10.904 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.239 9.220 10.574 1.00 16.32 H new ATOM 0 HE2 LYS A 48 5.278 9.996 8.224 1.00 20.04 H new ATOM 0 HE3 LYS A 48 3.773 10.109 9.114 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 5.050 12.189 9.287 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 4.913 11.466 10.817 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 6.371 11.357 9.955 1.00 23.92 H new ATOM 777 N GLN A 49 1.092 7.740 7.336 1.00 8.89 N ATOM 778 CA GLN A 49 0.267 7.800 6.109 1.00 7.18 C ATOM 779 C GLN A 49 1.056 8.063 4.831 1.00 8.23 C ATOM 780 O GLN A 49 1.949 8.920 4.761 1.00 9.70 O ATOM 781 CB GLN A 49 -0.899 8.815 6.258 1.00 11.67 C ATOM 782 CG GLN A 49 -1.595 8.722 7.641 1.00 15.82 C ATOM 783 CD GLN A 49 -2.696 9.871 7.824 1.00 20.21 C ATOM 784 OE1 GLN A 49 -3.850 9.647 7.592 1.00 23.23 O ATOM 785 NE2 GLN A 49 -2.329 11.064 8.414 1.00 20.67 N ATOM 0 H GLN A 49 0.891 8.527 7.953 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.147 6.798 5.998 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -0.517 9.826 6.114 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.634 8.637 5.473 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.066 7.745 7.747 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -0.849 8.803 8.431 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -1.347 11.254 8.611 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -3.040 11.755 8.653 1.00 20.67 H new ATOM 794 N LEU A 50 0.712 7.381 3.765 1.00 6.51 N ATOM 795 CA LEU A 50 1.479 7.308 2.513 1.00 7.41 C ATOM 796 C LEU A 50 0.796 7.993 1.350 1.00 8.27 C ATOM 797 O LEU A 50 -0.413 7.740 1.216 1.00 8.34 O ATOM 798 CB LEU A 50 1.807 5.793 2.172 1.00 7.13 C ATOM 799 CG LEU A 50 2.557 5.100 3.285 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.879 3.723 2.758 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.932 5.741 3.693 1.00 9.11 C ATOM 0 H LEU A 50 -0.147 6.832 3.730 1.00 6.51 H new ATOM 0 HA LEU A 50 2.408 7.856 2.673 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.878 5.258 1.976 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.398 5.749 1.257 1.00 7.13 H new ATOM 0 HG LEU A 50 1.923 5.149 4.170 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.425 3.162 3.516 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.954 3.200 2.516 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.491 3.811 1.860 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.379 5.160 4.500 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.602 5.743 2.833 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.770 6.765 4.030 1.00 9.11 H new ATOM 813 N GLU A 51 1.483 8.650 0.441 1.00 9.43 N ATOM 814 CA GLU A 51 0.796 9.377 -0.556 1.00 11.90 C ATOM 815 C GLU A 51 0.856 8.780 -1.951 1.00 11.49 C ATOM 816 O GLU A 51 1.905 8.428 -2.389 1.00 9.88 O ATOM 817 CB GLU A 51 1.289 10.884 -0.681 1.00 16.56 C ATOM 818 CG GLU A 51 1.275 11.535 0.668 1.00 26.06 C ATOM 819 CD GLU A 51 1.692 12.953 0.542 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.105 13.690 -0.267 1.00 32.13 O ATOM 821 OE2 GLU A 51 2.551 13.319 1.349 1.00 33.44 O ATOM 0 H GLU A 51 2.501 8.685 0.387 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.232 9.328 -0.198 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.295 10.914 -1.099 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.643 11.432 -1.366 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.276 11.476 1.101 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.947 11.007 1.345 1.00 26.06 H new ATOM 828 N ASP A 52 -0.291 8.704 -2.655 1.00 12.71 N ATOM 829 CA ASP A 52 -0.450 8.255 -3.997 1.00 16.56 C ATOM 830 C ASP A 52 0.695 8.384 -5.052 1.00 15.83 C ATOM 831 O ASP A 52 1.050 7.443 -5.667 1.00 17.21 O ATOM 832 CB ASP A 52 -1.789 8.734 -4.597 1.00 21.05 C ATOM 833 CG ASP A 52 -2.923 8.181 -3.837 1.00 25.12 C ATOM 834 OD1 ASP A 52 -3.327 7.038 -4.066 1.00 25.82 O ATOM 835 OD2 ASP A 52 -3.499 8.976 -2.978 1.00 28.37 O ATOM 0 H ASP A 52 -1.181 8.983 -2.242 1.00 12.71 H new ATOM 0 HA ASP A 52 -0.415 7.181 -3.813 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.831 9.823 -4.583 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.858 8.425 -5.640 1.00 21.05 H new ATOM 840 N GLY A 53 1.241 9.615 -5.159 1.00 15.00 N ATOM 841 CA GLY A 53 2.339 9.874 -6.062 1.00 11.77 C ATOM 842 C GLY A 53 3.748 9.803 -5.529 1.00 11.10 C ATOM 843 O GLY A 53 4.620 10.175 -6.305 1.00 11.25 O ATOM 0 H GLY A 53 0.929 10.427 -4.627 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.262 9.166 -6.887 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.194 10.870 -6.481 1.00 11.77 H new ATOM 847 N ARG A 54 3.912 9.430 -4.249 1.00 8.53 N ATOM 848 CA ARG A 54 5.176 9.316 -3.597 1.00 9.05 C ATOM 849 C ARG A 54 5.640 7.875 -3.533 1.00 8.96 C ATOM 850 O ARG A 54 4.773 6.994 -3.600 1.00 11.60 O ATOM 851 CB ARG A 54 5.001 9.795 -2.168 1.00 7.97 C ATOM 852 CG ARG A 54 6.224 10.217 -1.409 1.00 9.62 C ATOM 853 CD ARG A 54 7.185 11.214 -2.201 1.00 12.20 C ATOM 854 NE ARG A 54 6.321 12.446 -2.367 1.00 18.23 N ATOM 855 CZ ARG A 54 6.233 13.226 -3.435 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.138 13.239 -4.381 1.00 25.50 N ATOM 857 NH2 ARG A 54 5.291 14.201 -3.430 1.00 23.38 N ATOM 0 H ARG A 54 3.127 9.197 -3.641 1.00 8.53 H new ATOM 0 HA ARG A 54 5.909 9.901 -4.153 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.310 10.638 -2.181 1.00 7.97 H new ATOM 0 HB3 ARG A 54 4.519 8.996 -1.605 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.912 10.695 -0.480 1.00 9.62 H new ATOM 0 HG3 ARG A 54 6.791 9.327 -1.135 1.00 9.62 H new ATOM 0 HD2 ARG A 54 8.095 11.430 -1.641 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.492 10.802 -3.162 1.00 12.20 H new ATOM 0 HE ARG A 54 5.742 12.705 -1.568 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.954 12.631 -4.314 1.00 25.50 H new ATOM 0 HH12 ARG A 54 7.027 13.857 -5.185 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.679 14.315 -2.622 1.00 23.38 H new ATOM 0 HH22 ARG A 54 5.194 14.821 -4.234 1.00 23.38 H new ATOM 871 N THR A 55 6.964 7.504 -3.578 1.00 9.05 N ATOM 872 CA THR A 55 7.467 6.186 -3.778 1.00 9.03 C ATOM 873 C THR A 55 7.917 5.465 -2.560 1.00 8.15 C ATOM 874 O THR A 55 8.203 6.094 -1.513 1.00 5.91 O ATOM 875 CB THR A 55 8.582 6.145 -4.866 1.00 11.15 C ATOM 876 OG1 THR A 55 9.830 6.542 -4.464 1.00 11.95 O ATOM 877 CG2 THR A 55 8.151 6.906 -6.113 1.00 11.71 C ATOM 0 H THR A 55 7.713 8.188 -3.465 1.00 9.05 H new ATOM 0 HA THR A 55 6.589 5.641 -4.124 1.00 9.03 H new ATOM 0 HB THR A 55 8.696 5.084 -5.091 1.00 11.15 H new ATOM 0 HG1 THR A 55 9.757 7.361 -3.931 1.00 11.95 H new ATOM 0 HG21 THR A 55 8.945 6.863 -6.858 1.00 11.71 H new ATOM 0 HG22 THR A 55 7.247 6.454 -6.521 1.00 11.71 H new ATOM 0 HG23 THR A 55 7.952 7.946 -5.854 1.00 11.71 H new ATOM 885 N LEU A 56 8.077 4.134 -2.694 1.00 6.91 N ATOM 886 CA LEU A 56 8.566 3.277 -1.645 1.00 8.29 C ATOM 887 C LEU A 56 9.943 3.737 -1.139 1.00 8.05 C ATOM 888 O LEU A 56 10.171 3.798 0.089 1.00 10.17 O ATOM 889 CB LEU A 56 8.617 1.872 -2.052 1.00 6.60 C ATOM 890 CG LEU A 56 7.249 1.224 -2.318 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.504 -0.254 -2.641 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.294 1.342 -1.094 1.00 8.64 C ATOM 0 H LEU A 56 7.861 3.635 -3.557 1.00 6.91 H new ATOM 0 HA LEU A 56 7.851 3.356 -0.826 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.222 1.792 -2.955 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.127 1.302 -1.275 1.00 6.60 H new ATOM 0 HG LEU A 56 6.760 1.739 -3.145 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.555 -0.753 -2.837 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.142 -0.329 -3.522 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.997 -0.732 -1.794 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.340 0.870 -1.330 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.742 0.845 -0.234 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.130 2.394 -0.860 1.00 8.64 H new ATOM 904 N SER A 57 10.815 4.247 -2.033 1.00 8.92 N ATOM 905 CA SER A 57 12.151 4.809 -1.780 1.00 9.00 C ATOM 906 C SER A 57 12.234 6.096 -0.955 1.00 9.44 C ATOM 907 O SER A 57 13.043 6.232 -0.036 1.00 10.91 O ATOM 908 CB SER A 57 12.999 5.109 -3.059 1.00 10.32 C ATOM 909 OG SER A 57 12.575 6.259 -3.830 1.00 13.59 O ATOM 0 H SER A 57 10.582 4.277 -3.026 1.00 8.92 H new ATOM 0 HA SER A 57 12.550 3.975 -1.202 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.037 5.256 -2.760 1.00 10.32 H new ATOM 0 HB3 SER A 57 12.975 4.231 -3.705 1.00 10.32 H new ATOM 0 HG SER A 57 11.606 6.219 -3.971 1.00 13.59 H new ATOM 915 N ASP A 58 11.293 7.029 -1.224 1.00 9.11 N ATOM 916 CA ASP A 58 11.070 8.284 -0.548 1.00 7.91 C ATOM 917 C ASP A 58 10.757 8.095 0.935 1.00 9.12 C ATOM 918 O ASP A 58 11.100 8.875 1.790 1.00 8.61 O ATOM 919 CB ASP A 58 9.835 9.023 -1.179 1.00 8.41 C ATOM 920 CG ASP A 58 10.097 9.506 -2.545 1.00 11.50 C ATOM 921 OD1 ASP A 58 10.864 10.501 -2.740 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.533 8.974 -3.519 1.00 11.70 O ATOM 0 H ASP A 58 10.627 6.892 -1.984 1.00 9.11 H new ATOM 0 HA ASP A 58 11.989 8.859 -0.659 1.00 7.91 H new ATOM 0 HB2 ASP A 58 8.981 8.346 -1.195 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.560 9.867 -0.546 1.00 8.41 H new ATOM 927 N TYR A 59 10.057 7.035 1.306 1.00 7.97 N ATOM 928 CA TYR A 59 9.630 6.659 2.697 1.00 8.45 C ATOM 929 C TYR A 59 10.562 5.690 3.300 1.00 10.98 C ATOM 930 O TYR A 59 10.485 5.427 4.513 1.00 12.95 O ATOM 931 CB TYR A 59 8.278 5.905 2.634 1.00 7.94 C ATOM 932 CG TYR A 59 7.148 6.829 2.209 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.819 7.917 3.029 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.392 6.677 1.023 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.862 8.839 2.632 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.412 7.575 0.604 1.00 6.52 C ATOM 937 CZ TYR A 59 5.176 8.663 1.415 1.00 6.76 C ATOM 938 OH TYR A 59 4.199 9.594 0.958 1.00 7.63 O ATOM 0 H TYR A 59 9.738 6.352 0.619 1.00 7.97 H new ATOM 0 HA TYR A 59 9.585 7.583 3.273 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.355 5.075 1.932 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.052 5.477 3.611 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.316 8.039 3.980 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.586 5.813 0.405 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.643 9.692 3.257 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.863 7.425 -0.314 1.00 6.52 H new ATOM 0 HH TYR A 59 4.420 10.489 1.289 1.00 7.63 H new ATOM 948 N ASN A 60 11.525 5.234 2.461 1.00 12.38 N ATOM 949 CA ASN A 60 12.505 4.174 2.735 1.00 13.94 C ATOM 950 C ASN A 60 11.880 2.866 3.110 1.00 14.16 C ATOM 951 O ASN A 60 12.224 2.209 4.119 1.00 14.26 O ATOM 952 CB ASN A 60 13.535 4.585 3.784 1.00 19.23 C ATOM 953 CG ASN A 60 14.270 5.847 3.282 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.962 7.021 3.584 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.323 5.622 2.423 1.00 24.09 N ATOM 0 H ASN A 60 11.638 5.623 1.525 1.00 12.38 H new ATOM 0 HA ASN A 60 13.022 4.026 1.787 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.045 4.786 4.737 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.245 3.776 3.955 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.845 6.410 2.039 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.581 4.668 2.171 1.00 24.09 H new ATOM 962 N ILE A 61 10.809 2.419 2.410 1.00 11.08 N ATOM 963 CA ILE A 61 10.189 1.103 2.619 1.00 11.78 C ATOM 964 C ILE A 61 11.116 0.108 2.020 1.00 13.74 C ATOM 965 O ILE A 61 11.617 0.348 0.950 1.00 14.60 O ATOM 966 CB ILE A 61 8.739 1.092 2.074 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.779 1.976 2.975 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.211 -0.353 1.781 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.446 2.460 2.388 1.00 11.42 C ATOM 0 H ILE A 61 10.354 2.970 1.682 1.00 11.08 H new ATOM 0 HA ILE A 61 10.060 0.847 3.671 1.00 11.78 H new ATOM 0 HB ILE A 61 8.748 1.571 1.095 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.554 1.404 3.875 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.340 2.857 3.288 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.191 -0.298 1.402 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.849 -0.830 1.037 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.225 -0.939 2.700 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.913 3.050 3.134 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.638 3.074 1.508 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.839 1.600 2.105 1.00 11.42 H new ATOM 981 N GLN A 62 11.393 -1.061 2.588 1.00 13.97 N ATOM 982 CA GLN A 62 12.431 -1.865 2.139 1.00 15.52 C ATOM 983 C GLN A 62 11.887 -3.218 1.826 1.00 13.94 C ATOM 984 O GLN A 62 10.794 -3.569 2.229 1.00 12.15 O ATOM 985 CB GLN A 62 13.518 -2.034 3.214 1.00 19.53 C ATOM 986 CG GLN A 62 13.145 -2.496 4.663 1.00 26.38 C ATOM 987 CD GLN A 62 14.473 -2.625 5.439 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.004 -3.733 5.621 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.044 -1.515 5.930 1.00 32.71 N ATOM 0 H GLN A 62 10.875 -1.446 3.378 1.00 13.97 H new ATOM 0 HA GLN A 62 12.870 -1.392 1.261 1.00 15.52 H new ATOM 0 HB2 GLN A 62 14.244 -2.749 2.826 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.031 -1.076 3.305 1.00 19.53 H new ATOM 0 HG2 GLN A 62 12.485 -1.773 5.142 1.00 26.38 H new ATOM 0 HG3 GLN A 62 12.614 -3.448 4.642 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.606 -0.606 5.779 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.917 -1.579 6.454 1.00 32.71 H new ATOM 998 N LYS A 63 12.645 -4.177 1.186 1.00 11.73 N ATOM 999 CA LYS A 63 12.346 -5.611 1.245 1.00 11.97 C ATOM 1000 C LYS A 63 11.907 -6.166 2.623 1.00 10.41 C ATOM 1001 O LYS A 63 12.562 -5.997 3.666 1.00 9.59 O ATOM 1002 CB LYS A 63 13.552 -6.452 0.806 1.00 13.73 C ATOM 1003 CG LYS A 63 14.834 -6.405 1.704 1.00 16.98 C ATOM 1004 CD LYS A 63 15.865 -7.462 1.237 1.00 20.19 C ATOM 1005 CE LYS A 63 17.134 -7.586 2.153 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.899 -6.337 2.112 1.00 25.97 N ATOM 0 H LYS A 63 13.468 -3.954 0.626 1.00 11.73 H new ATOM 0 HA LYS A 63 11.496 -5.697 0.568 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.229 -7.491 0.735 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.834 -6.137 -0.199 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.279 -5.411 1.660 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.563 -6.588 2.744 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.373 -8.433 1.187 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.186 -7.215 0.225 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.834 -7.806 3.178 1.00 23.42 H new ATOM 0 HE3 LYS A 63 17.756 -8.416 1.818 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.738 -6.424 2.720 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 18.198 -6.145 1.135 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.305 -5.554 2.452 1.00 25.97 H new ATOM 1020 N GLU A 64 10.814 -6.932 2.568 1.00 10.04 N ATOM 1021 CA GLU A 64 10.183 -7.753 3.590 1.00 10.94 C ATOM 1022 C GLU A 64 9.313 -6.948 4.553 1.00 9.74 C ATOM 1023 O GLU A 64 8.729 -7.444 5.534 1.00 9.42 O ATOM 1024 CB GLU A 64 11.065 -8.800 4.251 1.00 18.31 C ATOM 1025 CG GLU A 64 12.024 -9.579 3.330 1.00 24.16 C ATOM 1026 CD GLU A 64 12.808 -10.639 4.086 1.00 29.00 C ATOM 1027 OE1 GLU A 64 13.525 -10.262 5.073 1.00 32.61 O ATOM 1028 OE2 GLU A 64 12.722 -11.868 3.738 1.00 31.72 O ATOM 0 H GLU A 64 10.291 -6.994 1.695 1.00 10.04 H new ATOM 0 HA GLU A 64 9.492 -8.379 3.026 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.658 -8.308 5.022 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.420 -9.519 4.756 1.00 18.31 H new ATOM 0 HG2 GLU A 64 11.454 -10.052 2.530 1.00 24.16 H new ATOM 0 HG3 GLU A 64 12.718 -8.883 2.858 1.00 24.16 H new ATOM 1035 N SER A 65 9.116 -5.626 4.282 1.00 6.85 N ATOM 1036 CA SER A 65 8.297 -4.777 5.128 1.00 6.90 C ATOM 1037 C SER A 65 6.840 -5.063 5.209 1.00 4.72 C ATOM 1038 O SER A 65 6.248 -5.552 4.273 1.00 3.91 O ATOM 1039 CB SER A 65 8.274 -3.339 4.609 1.00 7.28 C ATOM 1040 OG SER A 65 9.534 -2.771 4.478 1.00 10.56 O ATOM 0 H SER A 65 9.523 -5.147 3.479 1.00 6.85 H new ATOM 0 HA SER A 65 8.775 -4.958 6.091 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.775 -3.320 3.640 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.678 -2.727 5.287 1.00 7.28 H new ATOM 0 HG SER A 65 10.002 -3.185 3.723 1.00 10.56 H new ATOM 1046 N THR A 66 6.238 -4.799 6.387 1.00 4.48 N ATOM 1047 CA THR A 66 4.858 -4.978 6.703 1.00 3.80 C ATOM 1048 C THR A 66 4.212 -3.635 6.640 1.00 4.60 C ATOM 1049 O THR A 66 4.566 -2.712 7.388 1.00 5.33 O ATOM 1050 CB THR A 66 4.585 -5.569 8.103 1.00 2.85 C ATOM 1051 OG1 THR A 66 5.069 -6.915 8.073 1.00 2.15 O ATOM 1052 CG2 THR A 66 3.075 -5.675 8.408 1.00 3.40 C ATOM 0 H THR A 66 6.765 -4.431 7.179 1.00 4.48 H new ATOM 0 HA THR A 66 4.460 -5.695 5.986 1.00 3.80 H new ATOM 0 HB THR A 66 5.057 -4.929 8.848 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.919 -7.336 8.945 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.934 -6.096 9.403 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.625 -4.683 8.366 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.599 -6.321 7.670 1.00 3.40 H new ATOM 1060 N LEU A 67 3.298 -3.426 5.617 1.00 4.17 N ATOM 1061 CA LEU A 67 2.513 -2.214 5.469 1.00 3.85 C ATOM 1062 C LEU A 67 1.094 -2.464 5.986 1.00 3.80 C ATOM 1063 O LEU A 67 0.673 -3.610 6.125 1.00 5.54 O ATOM 1064 CB LEU A 67 2.433 -1.785 4.022 1.00 7.18 C ATOM 1065 CG LEU A 67 3.705 -1.150 3.348 1.00 9.67 C ATOM 1066 CD1 LEU A 67 5.027 -2.003 3.371 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.480 -0.699 1.926 1.00 11.66 C ATOM 0 H LEU A 67 3.114 -4.118 4.891 1.00 4.17 H new ATOM 0 HA LEU A 67 2.999 -1.424 6.042 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.149 -2.658 3.434 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.620 -1.065 3.936 1.00 7.18 H new ATOM 0 HG LEU A 67 3.860 -0.296 4.008 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.825 -1.451 2.875 1.00 8.12 H new ATOM 0 HD12 LEU A 67 5.313 -2.204 4.404 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.860 -2.946 2.851 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.401 -0.273 1.529 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.183 -1.552 1.316 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.692 0.054 1.903 1.00 11.66 H new ATOM 1079 N HIS A 68 0.278 -1.409 6.214 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.131 -1.532 6.646 1.00 4.17 C ATOM 1081 C HIS A 68 -2.024 -0.918 5.537 1.00 5.32 C ATOM 1082 O HIS A 68 -1.605 0.024 4.868 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.472 -0.893 7.941 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.966 -1.819 9.043 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.379 -2.177 9.163 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.657 -2.793 9.780 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.438 -3.223 10.047 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.764 -3.661 10.426 1.00 16.30 N ATOM 0 H HIS A 68 0.583 -0.442 6.102 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.303 -2.597 6.803 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.008 0.090 8.020 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.549 -0.745 8.026 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -2.733 -2.865 9.842 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.365 -3.650 10.401 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -0.983 -4.444 11.042 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.176 -1.483 5.311 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.206 -0.958 4.423 1.00 3.97 C ATOM 1098 C LEU A 69 -5.400 -0.538 5.238 1.00 5.07 C ATOM 1099 O LEU A 69 -5.939 -1.310 6.067 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.702 -2.081 3.478 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.899 -1.813 2.535 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.569 -0.727 1.467 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.399 -3.113 1.851 1.00 9.96 C ATOM 0 H LEU A 69 -3.447 -2.361 5.754 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.785 -0.123 3.863 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.858 -2.381 2.857 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.961 -2.939 4.099 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.704 -1.431 3.162 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.437 -0.571 0.827 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.313 0.208 1.966 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.726 -1.057 0.861 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.240 -2.880 1.198 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.592 -3.548 1.262 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.717 -3.825 2.612 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.962 0.657 4.856 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.243 1.129 5.304 1.00 6.26 C ATOM 1117 C VAL A 70 -8.095 1.425 4.033 1.00 9.22 C ATOM 1118 O VAL A 70 -7.623 1.572 2.856 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.073 2.287 6.286 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.533 1.715 7.611 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.110 3.406 5.796 1.00 8.54 C ATOM 0 H VAL A 70 -5.499 1.302 4.216 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.790 0.386 5.885 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.051 2.754 6.398 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.403 2.524 8.330 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -7.240 0.987 8.008 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.573 1.229 7.433 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.047 4.188 6.552 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.119 2.985 5.626 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -6.488 3.830 4.866 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.443 1.493 4.142 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.224 1.913 2.971 1.00 16.06 C ATOM 1133 C LEU A 71 -11.007 3.136 3.314 1.00 18.09 C ATOM 1134 O LEU A 71 -11.544 3.309 4.372 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.280 0.848 2.485 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.663 -0.506 2.125 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.710 -1.478 1.595 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.635 -0.581 0.999 1.00 19.57 C ATOM 0 H LEU A 71 -9.981 1.275 4.981 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.493 2.069 2.178 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.024 0.702 3.268 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.806 1.241 1.615 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.193 -0.728 3.083 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.234 -2.428 1.350 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.474 -1.640 2.355 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.172 -1.062 0.699 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.303 -1.612 0.878 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.087 -0.234 0.070 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.780 0.049 1.244 1.00 19.57 H new ATOM 1150 N ARG A 72 -10.994 4.038 2.312 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.294 5.412 2.538 1.00 25.83 C ATOM 1152 C ARG A 72 -12.801 5.732 2.513 1.00 27.74 C ATOM 1153 O ARG A 72 -13.477 5.338 1.553 1.00 30.65 O ATOM 1154 CB ARG A 72 -10.628 6.245 1.416 1.00 28.49 C ATOM 1155 CG ARG A 72 -10.588 7.781 1.690 1.00 31.79 C ATOM 1156 CD ARG A 72 -10.086 8.581 0.491 1.00 34.05 C ATOM 1157 NE ARG A 72 -10.181 10.023 0.815 1.00 35.08 N ATOM 1158 CZ ARG A 72 -9.592 11.049 0.163 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -9.008 10.880 -1.002 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -9.700 12.247 0.708 1.00 35.02 N ATOM 0 H ARG A 72 -10.774 3.809 1.343 1.00 21.47 H new ATOM 0 HA ARG A 72 -10.921 5.654 3.533 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -9.609 5.887 1.271 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -11.163 6.069 0.483 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -11.587 8.124 1.958 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -9.944 7.976 2.547 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -9.055 8.312 0.261 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -10.681 8.351 -0.393 1.00 34.05 H new ATOM 0 HE ARG A 72 -10.756 10.269 1.621 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -8.992 9.957 -1.435 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -8.571 11.672 -1.473 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -10.211 12.365 1.583 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -9.273 13.054 0.254 1.00 35.02 H new ATOM 1174 N LEU A 73 -13.284 6.481 3.559 1.00 28.93 N ATOM 1175 CA LEU A 73 -14.682 6.970 3.540 1.00 30.76 C ATOM 1176 C LEU A 73 -14.641 8.262 2.875 1.00 32.18 C ATOM 1177 O LEU A 73 -14.050 9.192 3.457 1.00 32.31 O ATOM 1178 CB LEU A 73 -15.242 7.099 4.958 1.00 30.53 C ATOM 1179 CG LEU A 73 -14.964 5.933 5.905 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -15.246 6.370 7.369 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -15.795 4.738 5.425 1.00 29.11 C ATOM 0 H LEU A 73 -12.745 6.743 4.384 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.338 6.274 3.018 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -14.836 8.007 5.405 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -16.321 7.233 4.888 1.00 30.53 H new ATOM 0 HG LEU A 73 -13.918 5.627 5.894 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -15.047 5.536 8.042 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -14.600 7.209 7.629 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -16.289 6.672 7.464 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -15.619 3.886 6.081 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -16.853 4.999 5.445 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -15.504 4.478 4.407 1.00 29.11 H new ATOM 1193 N ARG A 74 -15.144 8.389 1.633 1.00 33.82 N ATOM 1194 CA ARG A 74 -14.730 9.300 0.647 1.00 35.33 C ATOM 1195 C ARG A 74 -15.071 10.745 0.967 1.00 36.22 C ATOM 1196 O ARG A 74 -14.382 11.696 0.595 1.00 36.70 O ATOM 1197 CB ARG A 74 -15.478 8.913 -0.661 1.00 36.91 C ATOM 1198 CG ARG A 74 -14.927 9.582 -2.029 1.00 38.62 C ATOM 1199 CD ARG A 74 -13.438 9.275 -2.273 1.00 39.75 C ATOM 1200 NE ARG A 74 -13.307 7.880 -2.781 1.00 41.13 N ATOM 1201 CZ ARG A 74 -13.362 7.441 -4.061 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -13.540 8.258 -5.124 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -13.153 6.153 -4.286 1.00 41.93 N ATOM 0 H ARG A 74 -15.906 7.795 1.307 1.00 33.82 H new ATOM 0 HA ARG A 74 -13.644 9.241 0.569 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -15.438 7.829 -0.770 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -16.528 9.183 -0.547 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -15.514 9.216 -2.872 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -15.070 10.662 -1.986 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -13.022 9.979 -2.994 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -12.873 9.394 -1.349 1.00 39.75 H new ATOM 0 HE ARG A 74 -13.156 7.162 -2.072 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -13.641 9.263 -4.983 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -13.573 7.869 -6.066 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -12.958 5.524 -3.507 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -13.187 5.790 -5.238 1.00 41.93 H new ATOM 1217 N GLY A 75 -16.196 10.948 1.699 1.00 36.31 N ATOM 1218 CA GLY A 75 -16.616 12.294 2.082 1.00 36.07 C ATOM 1219 C GLY A 75 -16.022 12.814 3.266 1.00 36.16 C ATOM 1220 O GLY A 75 -16.269 13.993 3.537 1.00 36.26 O ATOM 0 H GLY A 75 -16.810 10.202 2.025 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -16.393 12.972 1.258 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -17.698 12.294 2.211 1.00 36.07 H new ATOM 1224 N GLY A 76 -15.223 12.045 4.009 1.00 36.05 N ATOM 1225 CA GLY A 76 -14.592 12.479 5.209 1.00 36.19 C ATOM 1226 C GLY A 76 -13.053 12.533 5.083 1.00 36.20 C ATOM 1227 O GLY A 76 -12.567 13.564 4.501 1.00 0.00 O ATOM 1228 OXT GLY A 76 -12.362 11.656 5.576 1.00 0.00 O ATOM 0 H GLY A 76 -15.005 11.079 3.766 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -14.966 13.467 5.475 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -14.863 11.806 6.022 1.00 36.19 H new TER 1232 GLY A 76