USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18 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 7 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 6 LYS NZ :NH3+ 155:sc= 1.25 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot 140:sc= 1.02 USER MOD Single : A 1 MET CE :methyl 160:sc= -0.11 (180deg=-0.431) USER MOD Single : A 1 MET N :NH3+ 171:sc= 0.286 (180deg=0.257) USER MOD Single : A 2 GLN : amide:sc= -3.03! K(o=-3!,f=-0.53) USER MOD Single : A 11 LYS NZ :NH3+ 147:sc= 0.953 (180deg=-2.19!) USER MOD Single : A 14 THR OG1 : rot -60:sc= 0.118 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0115 USER MOD Single : A 22 THR OG1 : rot 180:sc=-0.00183 USER MOD Single : A 25 ASN : amide:sc= -0.0141 X(o=-0.014,f=-0.22) USER MOD Single : A 27 LYS NZ :NH3+ -176:sc= 2.43 (180deg=2.3) USER MOD Single : A 29 LYS NZ :NH3+ -163:sc=-0.00846 (180deg=-0.265) USER MOD Single : A 31 GLN : amide:sc= -1.46 K(o=-1.5,f=-2.4) USER MOD Single : A 33 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.031) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 41 GLN : amide:sc= 1.18 K(o=1.2,f=-0.81) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0178 X(o=-0.018,f=0) USER MOD Single : A 55 THR OG1 : rot -68:sc= 1.22 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 15:sc= 0.404 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 65:sc= 1.21 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.661 -6.465 -4.588 1.00 9.67 N ATOM 2 CA MET A 1 11.625 -6.962 -3.196 1.00 10.38 C ATOM 3 C MET A 1 10.175 -7.170 -2.690 1.00 9.62 C ATOM 4 O MET A 1 9.195 -6.498 -3.081 1.00 9.62 O ATOM 5 CB MET A 1 12.466 -6.158 -2.172 1.00 13.77 C ATOM 6 CG MET A 1 12.080 -4.632 -2.273 1.00 16.29 C ATOM 7 SD MET A 1 12.537 -3.775 -0.774 1.00 17.17 S ATOM 8 CE MET A 1 11.199 -2.512 -0.824 1.00 16.11 C ATOM 0 H1 MET A 1 12.635 -6.195 -4.835 1.00 9.67 H new ATOM 0 H2 MET A 1 11.335 -7.213 -5.232 1.00 9.67 H new ATOM 0 H3 MET A 1 11.039 -5.636 -4.677 1.00 9.67 H new ATOM 0 HA MET A 1 12.121 -7.931 -3.257 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.282 -6.526 -1.163 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.529 -6.291 -2.371 1.00 13.77 H new ATOM 0 HG2 MET A 1 12.583 -4.179 -3.127 1.00 16.29 H new ATOM 0 HG3 MET A 1 11.008 -4.532 -2.445 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.060 -2.090 0.171 1.00 16.11 H new ATOM 0 HE2 MET A 1 11.473 -1.719 -1.520 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.270 -2.978 -1.153 1.00 16.11 H new ATOM 20 N GLN A 2 9.885 -8.120 -1.848 1.00 9.27 N ATOM 21 CA GLN A 2 8.589 -8.345 -1.244 1.00 9.07 C ATOM 22 C GLN A 2 8.266 -7.487 -0.023 1.00 8.72 C ATOM 23 O GLN A 2 9.174 -6.959 0.635 1.00 8.22 O ATOM 24 CB GLN A 2 8.477 -9.831 -0.912 1.00 14.46 C ATOM 25 CG GLN A 2 9.213 -10.309 0.433 1.00 17.01 C ATOM 26 CD GLN A 2 9.281 -11.898 0.492 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.717 -12.602 -0.340 1.00 21.89 O ATOM 28 NE2 GLN A 2 10.235 -12.408 1.390 1.00 19.49 N ATOM 0 H GLN A 2 10.581 -8.800 -1.543 1.00 9.27 H new ATOM 0 HA GLN A 2 7.844 -8.033 -1.976 1.00 9.07 H new ATOM 0 HB2 GLN A 2 7.420 -10.087 -0.835 1.00 14.46 H new ATOM 0 HB3 GLN A 2 8.883 -10.401 -1.747 1.00 14.46 H new ATOM 0 HG2 GLN A 2 10.220 -9.894 0.472 1.00 17.01 H new ATOM 0 HG3 GLN A 2 8.678 -9.929 1.303 1.00 17.01 H new ATOM 0 HE21 GLN A 2 10.681 -11.788 2.067 1.00 19.49 H new ATOM 0 HE22 GLN A 2 10.481 -13.398 1.365 1.00 19.49 H new ATOM 37 N ILE A 3 6.953 -7.311 0.196 1.00 5.87 N ATOM 38 CA ILE A 3 6.454 -6.608 1.356 1.00 5.07 C ATOM 39 C ILE A 3 5.208 -7.364 1.753 1.00 4.01 C ATOM 40 O ILE A 3 4.689 -8.278 1.097 1.00 4.61 O ATOM 41 CB ILE A 3 6.091 -5.127 1.278 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.005 -4.730 0.299 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.454 -4.253 1.157 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.690 -3.213 0.377 1.00 10.83 C ATOM 0 H ILE A 3 6.224 -7.655 -0.429 1.00 5.87 H new ATOM 0 HA ILE A 3 7.295 -6.588 2.049 1.00 5.07 H new ATOM 0 HB ILE A 3 5.587 -4.890 2.215 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.317 -4.986 -0.714 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.100 -5.301 0.508 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.203 -3.194 1.101 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.080 -4.432 2.031 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.995 -4.546 0.257 1.00 5.58 H new ATOM 0 HD11 ILE A 3 3.907 -2.967 -0.340 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.353 -2.963 1.383 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.589 -2.642 0.143 1.00 10.83 H new ATOM 56 N PHE A 4 4.642 -7.144 2.950 1.00 4.55 N ATOM 57 CA PHE A 4 3.451 -7.846 3.403 1.00 4.68 C ATOM 58 C PHE A 4 2.288 -6.857 3.847 1.00 5.30 C ATOM 59 O PHE A 4 2.446 -6.154 4.829 1.00 5.58 O ATOM 60 CB PHE A 4 3.889 -8.744 4.594 1.00 4.83 C ATOM 61 CG PHE A 4 4.808 -9.815 4.189 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.569 -10.790 3.210 1.00 6.69 C ATOM 63 CD2 PHE A 4 6.119 -9.874 4.772 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.479 -11.665 2.765 1.00 9.10 C ATOM 65 CE2 PHE A 4 7.061 -10.889 4.360 1.00 10.61 C ATOM 66 CZ PHE A 4 6.712 -11.826 3.370 1.00 8.90 C ATOM 0 H PHE A 4 5.005 -6.471 3.625 1.00 4.55 H new ATOM 0 HA PHE A 4 3.039 -8.434 2.583 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.370 -8.126 5.352 1.00 4.83 H new ATOM 0 HB3 PHE A 4 3.005 -9.185 5.056 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.578 -10.839 2.784 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.403 -9.154 5.525 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.241 -12.268 1.901 1.00 9.10 H new ATOM 0 HE2 PHE A 4 8.040 -10.929 4.815 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.376 -12.633 3.096 1.00 8.90 H new ATOM 76 N VAL A 5 1.163 -6.811 3.115 1.00 4.44 N ATOM 77 CA VAL A 5 0.124 -5.793 3.312 1.00 3.87 C ATOM 78 C VAL A 5 -0.994 -6.435 4.121 1.00 4.93 C ATOM 79 O VAL A 5 -1.681 -7.340 3.686 1.00 6.84 O ATOM 80 CB VAL A 5 -0.407 -5.113 2.051 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.414 -4.099 2.491 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.847 -4.541 1.339 1.00 9.13 C ATOM 0 H VAL A 5 0.951 -7.477 2.373 1.00 4.44 H new ATOM 0 HA VAL A 5 0.588 -4.962 3.843 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.925 -5.759 1.342 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.820 -3.587 1.618 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.221 -4.597 3.028 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.936 -3.372 3.147 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.546 -4.036 0.421 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.347 -3.830 1.997 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.531 -5.355 1.097 1.00 9.13 H new ATOM 92 N LYS A 6 -1.217 -5.822 5.351 1.00 6.04 N ATOM 93 CA LYS A 6 -2.219 -6.314 6.289 1.00 6.12 C ATOM 94 C LYS A 6 -3.582 -5.697 5.951 1.00 6.57 C ATOM 95 O LYS A 6 -3.718 -4.513 6.003 1.00 5.76 O ATOM 96 CB LYS A 6 -1.915 -5.930 7.719 1.00 7.45 C ATOM 97 CG LYS A 6 -0.662 -6.608 8.203 1.00 11.12 C ATOM 98 CD LYS A 6 -0.921 -8.096 8.481 1.00 14.54 C ATOM 99 CE LYS A 6 0.373 -8.814 8.932 1.00 18.84 C ATOM 100 NZ LYS A 6 0.099 -10.236 8.991 1.00 20.55 N ATOM 0 H LYS A 6 -0.706 -5.002 5.677 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.219 -7.400 6.199 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.800 -4.849 7.793 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.753 -6.205 8.360 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.125 -6.504 7.456 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.306 -6.120 9.111 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.684 -8.197 9.253 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.311 -8.574 7.582 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.185 -8.611 8.233 1.00 18.84 H new ATOM 0 HE3 LYS A 6 0.692 -8.447 9.907 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.986 -10.766 8.870 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.321 -10.471 9.913 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.564 -10.493 8.232 1.00 20.55 H new ATOM 114 N THR A 7 -4.563 -6.523 5.645 1.00 7.41 N ATOM 115 CA THR A 7 -5.892 -5.996 5.339 1.00 7.48 C ATOM 116 C THR A 7 -6.792 -5.876 6.547 1.00 8.75 C ATOM 117 O THR A 7 -6.544 -6.517 7.593 1.00 8.58 O ATOM 118 CB THR A 7 -6.601 -6.566 4.162 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.452 -7.696 4.542 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.657 -7.030 3.094 1.00 9.17 C ATOM 0 H THR A 7 -4.477 -7.538 5.600 1.00 7.41 H new ATOM 0 HA THR A 7 -5.644 -4.987 5.009 1.00 7.48 H new ATOM 0 HB THR A 7 -7.212 -5.754 3.768 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.905 -8.047 3.747 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.225 -7.437 2.258 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.056 -6.189 2.749 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.002 -7.802 3.498 1.00 9.17 H new ATOM 128 N LEU A 8 -7.898 -5.065 6.458 1.00 9.84 N ATOM 129 CA LEU A 8 -8.819 -4.749 7.549 1.00 14.15 C ATOM 130 C LEU A 8 -9.597 -5.969 8.021 1.00 17.37 C ATOM 131 O LEU A 8 -9.939 -6.151 9.193 1.00 17.01 O ATOM 132 CB LEU A 8 -9.778 -3.644 7.035 1.00 16.63 C ATOM 133 CG LEU A 8 -10.615 -2.972 8.049 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.843 -2.099 9.110 1.00 19.31 C ATOM 135 CD2 LEU A 8 -11.497 -2.009 7.310 1.00 18.59 C ATOM 0 H LEU A 8 -8.161 -4.609 5.584 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.255 -4.404 8.416 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.183 -2.885 6.527 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.437 -4.085 6.287 1.00 16.63 H new ATOM 0 HG LEU A 8 -11.120 -3.770 8.594 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.557 -1.654 9.803 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.146 -2.729 9.662 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.292 -1.309 8.600 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -12.138 -1.485 8.019 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -10.880 -1.286 6.776 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -12.115 -2.555 6.597 1.00 18.59 H new ATOM 147 N THR A 9 -9.791 -6.989 7.105 1.00 18.33 N ATOM 148 CA THR A 9 -10.413 -8.252 7.462 1.00 19.24 C ATOM 149 C THR A 9 -9.449 -9.378 7.791 1.00 19.48 C ATOM 150 O THR A 9 -9.707 -10.567 7.858 1.00 23.14 O ATOM 151 CB THR A 9 -11.332 -8.656 6.325 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.629 -8.905 5.121 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.302 -7.510 6.051 1.00 19.70 C ATOM 0 H THR A 9 -9.514 -6.926 6.125 1.00 18.33 H new ATOM 0 HA THR A 9 -10.959 -8.087 8.391 1.00 19.24 H new ATOM 0 HB THR A 9 -11.840 -9.571 6.630 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.263 -9.163 4.420 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.970 -7.786 5.235 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.888 -7.307 6.947 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.741 -6.617 5.775 1.00 19.70 H new ATOM 161 N GLY A 10 -8.204 -9.030 8.051 1.00 19.43 N ATOM 162 CA GLY A 10 -7.169 -10.000 8.456 1.00 18.74 C ATOM 163 C GLY A 10 -6.433 -10.773 7.409 1.00 17.62 C ATOM 164 O GLY A 10 -5.723 -11.740 7.719 1.00 19.74 O ATOM 0 H GLY A 10 -7.867 -8.069 7.991 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.427 -9.460 9.044 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.641 -10.721 9.123 1.00 18.74 H new ATOM 168 N LYS A 11 -6.512 -10.484 6.117 1.00 13.56 N ATOM 169 CA LYS A 11 -5.581 -11.041 5.087 1.00 11.91 C ATOM 170 C LYS A 11 -4.153 -10.554 5.167 1.00 10.18 C ATOM 171 O LYS A 11 -3.898 -9.390 5.539 1.00 9.10 O ATOM 172 CB LYS A 11 -6.302 -10.780 3.685 1.00 13.43 C ATOM 173 CG LYS A 11 -5.709 -11.560 2.493 1.00 16.69 C ATOM 174 CD LYS A 11 -6.529 -11.371 1.200 1.00 17.92 C ATOM 175 CE LYS A 11 -7.967 -12.009 1.338 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.692 -12.019 0.030 1.00 21.93 N ATOM 0 H LYS A 11 -7.218 -9.857 5.731 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.422 -12.106 5.256 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.356 -11.039 3.782 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.255 -9.714 3.462 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -4.684 -11.232 2.321 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.666 -12.620 2.741 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -6.620 -10.308 0.976 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -6.003 -11.830 0.362 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -7.879 -13.028 1.714 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -8.546 -11.448 2.071 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -9.305 -12.858 -0.021 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.273 -11.160 -0.051 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.003 -12.046 -0.749 1.00 21.93 H new ATOM 190 N THR A 12 -3.171 -11.328 4.719 1.00 9.63 N ATOM 191 CA THR A 12 -1.820 -10.811 4.467 1.00 9.85 C ATOM 192 C THR A 12 -1.547 -11.010 3.032 1.00 11.66 C ATOM 193 O THR A 12 -1.473 -12.170 2.548 1.00 12.33 O ATOM 194 CB THR A 12 -0.711 -11.438 5.398 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.108 -11.228 6.734 1.00 10.91 O ATOM 196 CG2 THR A 12 0.640 -10.674 5.117 1.00 9.63 C ATOM 0 H THR A 12 -3.281 -12.322 4.520 1.00 9.63 H new ATOM 0 HA THR A 12 -1.782 -9.752 4.721 1.00 9.85 H new ATOM 0 HB THR A 12 -0.579 -12.504 5.212 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.906 -12.027 7.265 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.429 -11.085 5.747 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.914 -10.793 4.069 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.512 -9.615 5.341 1.00 9.63 H new ATOM 204 N ILE A 13 -1.473 -9.933 2.310 1.00 10.42 N ATOM 205 CA ILE A 13 -1.215 -9.925 0.843 1.00 11.84 C ATOM 206 C ILE A 13 0.256 -9.659 0.508 1.00 10.55 C ATOM 207 O ILE A 13 0.791 -8.506 0.611 1.00 11.92 O ATOM 208 CB ILE A 13 -1.928 -8.834 0.116 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.452 -8.833 0.458 1.00 14.87 C ATOM 210 CG2 ILE A 13 -1.686 -8.959 -1.400 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.240 -7.726 -0.297 1.00 16.46 C ATOM 0 H ILE A 13 -1.588 -8.999 2.703 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.555 -10.914 0.536 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.526 -7.876 0.444 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.875 -9.806 0.211 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.578 -8.694 1.532 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.211 -8.158 -1.920 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.618 -8.886 -1.605 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.057 -9.922 -1.750 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.293 -7.775 -0.019 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.839 -6.748 -0.030 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.141 -7.878 -1.372 1.00 16.46 H new ATOM 223 N THR A 14 0.931 -10.721 0.125 1.00 9.39 N ATOM 224 CA THR A 14 2.290 -10.627 -0.368 1.00 9.63 C ATOM 225 C THR A 14 2.387 -9.802 -1.642 1.00 11.20 C ATOM 226 O THR A 14 1.774 -10.194 -2.669 1.00 11.63 O ATOM 227 CB THR A 14 2.927 -11.955 -0.590 1.00 10.38 C ATOM 228 OG1 THR A 14 2.899 -12.694 0.644 1.00 16.30 O ATOM 229 CG2 THR A 14 4.367 -11.706 -1.103 1.00 11.66 C ATOM 0 H THR A 14 0.557 -11.670 0.146 1.00 9.39 H new ATOM 0 HA THR A 14 2.838 -10.119 0.425 1.00 9.63 H new ATOM 0 HB THR A 14 2.395 -12.548 -1.334 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.395 -12.202 1.331 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.862 -12.662 -1.276 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.329 -11.143 -2.036 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.925 -11.138 -0.359 1.00 11.66 H new ATOM 237 N LEU A 15 3.219 -8.711 -1.664 1.00 8.29 N ATOM 238 CA LEU A 15 3.367 -7.839 -2.841 1.00 9.03 C ATOM 239 C LEU A 15 4.828 -7.795 -3.175 1.00 8.59 C ATOM 240 O LEU A 15 5.564 -7.455 -2.268 1.00 7.79 O ATOM 241 CB LEU A 15 2.831 -6.440 -2.744 1.00 11.08 C ATOM 242 CG LEU A 15 1.327 -6.376 -2.544 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.951 -4.927 -2.298 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.536 -6.947 -3.724 1.00 15.27 C ATOM 0 H LEU A 15 3.792 -8.428 -0.869 1.00 8.29 H new ATOM 0 HA LEU A 15 2.743 -8.285 -3.616 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.321 -5.929 -1.915 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.091 -5.897 -3.652 1.00 11.08 H new ATOM 0 HG LEU A 15 1.066 -7.000 -1.689 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.126 -4.851 -2.151 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.466 -4.564 -1.409 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.243 -4.324 -3.158 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.532 -6.871 -3.517 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.772 -6.383 -4.627 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.804 -7.994 -3.869 1.00 15.27 H new ATOM 256 N GLU A 16 5.179 -8.135 -4.441 1.00 11.04 N ATOM 257 CA GLU A 16 6.471 -7.746 -4.945 1.00 11.50 C ATOM 258 C GLU A 16 6.471 -6.302 -5.376 1.00 10.13 C ATOM 259 O GLU A 16 5.623 -5.929 -6.191 1.00 9.83 O ATOM 260 CB GLU A 16 7.008 -8.688 -6.031 1.00 17.22 C ATOM 261 CG GLU A 16 7.380 -10.062 -5.415 1.00 23.33 C ATOM 262 CD GLU A 16 7.988 -11.013 -6.479 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.049 -10.619 -7.093 1.00 28.86 O ATOM 264 OE2 GLU A 16 7.390 -12.086 -6.756 1.00 28.90 O ATOM 0 H GLU A 16 4.593 -8.658 -5.092 1.00 11.04 H new ATOM 0 HA GLU A 16 7.174 -7.842 -4.118 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.257 -8.822 -6.810 1.00 17.22 H new ATOM 0 HB3 GLU A 16 7.884 -8.245 -6.506 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.093 -9.918 -4.604 1.00 23.33 H new ATOM 0 HG3 GLU A 16 6.492 -10.520 -4.980 1.00 23.33 H new ATOM 271 N VAL A 17 7.351 -5.424 -4.802 1.00 8.99 N ATOM 272 CA VAL A 17 7.435 -4.008 -5.120 1.00 8.85 C ATOM 273 C VAL A 17 8.914 -3.510 -5.074 1.00 8.04 C ATOM 274 O VAL A 17 9.687 -4.066 -4.280 1.00 8.99 O ATOM 275 CB VAL A 17 6.611 -3.133 -4.144 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.070 -3.426 -4.238 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.067 -3.370 -2.734 1.00 10.54 C ATOM 0 H VAL A 17 8.025 -5.713 -4.093 1.00 8.99 H new ATOM 0 HA VAL A 17 7.026 -3.905 -6.125 1.00 8.85 H new ATOM 0 HB VAL A 17 6.776 -2.094 -4.429 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.535 -2.788 -3.535 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.722 -3.222 -5.251 1.00 12.05 H new ATOM 0 HG13 VAL A 17 4.883 -4.472 -3.994 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.482 -2.751 -2.054 1.00 10.54 H new ATOM 0 HG22 VAL A 17 6.928 -4.420 -2.478 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.122 -3.111 -2.644 1.00 10.54 H new ATOM 287 N GLU A 18 9.387 -2.556 -5.883 1.00 7.29 N ATOM 288 CA GLU A 18 10.773 -2.036 -5.791 1.00 7.08 C ATOM 289 C GLU A 18 10.883 -0.792 -4.958 1.00 6.45 C ATOM 290 O GLU A 18 9.848 -0.111 -4.786 1.00 5.28 O ATOM 291 CB GLU A 18 11.364 -1.589 -7.187 1.00 10.28 C ATOM 292 CG GLU A 18 11.574 -2.805 -8.124 1.00 12.65 C ATOM 293 CD GLU A 18 12.443 -3.893 -7.553 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.670 -3.670 -7.290 1.00 18.17 O ATOM 295 OE2 GLU A 18 11.931 -5.040 -7.544 1.00 14.33 O ATOM 0 H GLU A 18 8.831 -2.119 -6.618 1.00 7.29 H new ATOM 0 HA GLU A 18 11.313 -2.879 -5.359 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.688 -0.876 -7.659 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.314 -1.076 -7.035 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.601 -3.228 -8.372 1.00 12.65 H new ATOM 0 HG3 GLU A 18 12.017 -2.456 -9.057 1.00 12.65 H new ATOM 302 N PRO A 19 11.995 -0.293 -4.472 1.00 7.24 N ATOM 303 CA PRO A 19 12.072 1.010 -3.878 1.00 7.07 C ATOM 304 C PRO A 19 11.623 2.240 -4.725 1.00 6.65 C ATOM 305 O PRO A 19 11.275 3.256 -4.167 1.00 6.37 O ATOM 306 CB PRO A 19 13.503 1.188 -3.467 1.00 7.61 C ATOM 307 CG PRO A 19 14.092 -0.247 -3.393 1.00 8.16 C ATOM 308 CD PRO A 19 13.255 -1.083 -4.367 1.00 7.49 C ATOM 0 HA PRO A 19 11.344 1.011 -3.067 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.046 1.799 -4.188 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.575 1.693 -2.504 1.00 7.61 H new ATOM 0 HG2 PRO A 19 15.145 -0.254 -3.674 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.030 -0.645 -2.380 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.747 -1.193 -5.334 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.073 -2.088 -3.986 1.00 7.49 H new ATOM 316 N SER A 20 11.679 2.152 -6.082 1.00 6.80 N ATOM 317 CA SER A 20 11.314 3.290 -6.954 1.00 6.28 C ATOM 318 C SER A 20 9.826 3.248 -7.388 1.00 8.45 C ATOM 319 O SER A 20 9.360 4.172 -8.045 1.00 7.26 O ATOM 320 CB SER A 20 12.165 3.349 -8.216 1.00 8.57 C ATOM 321 OG SER A 20 12.375 2.041 -8.710 1.00 11.13 O ATOM 0 H SER A 20 11.970 1.314 -6.585 1.00 6.80 H new ATOM 0 HA SER A 20 11.495 4.177 -6.347 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.670 3.959 -8.972 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.122 3.824 -7.999 1.00 8.57 H new ATOM 0 HG SER A 20 12.921 2.082 -9.523 1.00 11.13 H new ATOM 327 N ASP A 21 9.072 2.205 -7.059 1.00 7.50 N ATOM 328 CA ASP A 21 7.656 2.096 -7.287 1.00 7.70 C ATOM 329 C ASP A 21 6.901 3.140 -6.492 1.00 7.08 C ATOM 330 O ASP A 21 7.211 3.419 -5.364 1.00 8.11 O ATOM 331 CB ASP A 21 7.177 0.678 -6.986 1.00 11.00 C ATOM 332 CG ASP A 21 7.681 -0.257 -7.999 1.00 15.32 C ATOM 333 OD1 ASP A 21 8.251 0.069 -9.047 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.560 -1.483 -7.774 1.00 14.36 O ATOM 0 H ASP A 21 9.461 1.379 -6.605 1.00 7.50 H new ATOM 0 HA ASP A 21 7.450 2.291 -8.339 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.520 0.373 -5.997 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.087 0.651 -6.967 1.00 11.00 H new ATOM 339 N THR A 22 5.900 3.753 -7.117 1.00 5.37 N ATOM 340 CA THR A 22 4.970 4.592 -6.410 1.00 6.01 C ATOM 341 C THR A 22 3.927 3.815 -5.547 1.00 8.01 C ATOM 342 O THR A 22 3.614 2.674 -5.752 1.00 8.11 O ATOM 343 CB THR A 22 4.184 5.656 -7.233 1.00 8.92 C ATOM 344 OG1 THR A 22 3.396 5.124 -8.294 1.00 10.22 O ATOM 345 CG2 THR A 22 5.191 6.584 -7.747 1.00 9.65 C ATOM 0 H THR A 22 5.721 3.676 -8.118 1.00 5.37 H new ATOM 0 HA THR A 22 5.679 5.129 -5.780 1.00 6.01 H new ATOM 0 HB THR A 22 3.453 6.138 -6.584 1.00 8.92 H new ATOM 0 HG1 THR A 22 2.936 5.854 -8.758 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.703 7.360 -8.337 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.723 7.042 -6.913 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.899 6.042 -8.374 1.00 9.65 H new ATOM 353 N ILE A 23 3.384 4.458 -4.497 1.00 8.32 N ATOM 354 CA ILE A 23 2.211 3.899 -3.753 1.00 9.92 C ATOM 355 C ILE A 23 1.056 3.574 -4.718 1.00 10.01 C ATOM 356 O ILE A 23 0.489 2.487 -4.612 1.00 8.71 O ATOM 357 CB ILE A 23 1.779 4.803 -2.588 1.00 10.78 C ATOM 358 CG1 ILE A 23 2.999 5.140 -1.667 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.614 4.123 -1.793 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.653 3.924 -1.037 1.00 12.30 C ATOM 0 H ILE A 23 3.723 5.351 -4.139 1.00 8.32 H new ATOM 0 HA ILE A 23 2.521 2.960 -3.296 1.00 9.92 H new ATOM 0 HB ILE A 23 1.408 5.749 -2.984 1.00 10.78 H new ATOM 0 HG12 ILE A 23 3.745 5.678 -2.252 1.00 11.38 H new ATOM 0 HG13 ILE A 23 2.668 5.813 -0.876 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.311 4.768 -0.968 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.235 3.962 -2.458 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.953 3.165 -1.399 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.489 4.242 -0.414 1.00 12.30 H new ATOM 0 HD12 ILE A 23 2.924 3.396 -0.423 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.017 3.259 -1.821 1.00 12.30 H new ATOM 372 N GLU A 24 0.817 4.423 -5.783 1.00 9.54 N ATOM 373 CA GLU A 24 -0.089 4.052 -6.843 1.00 11.81 C ATOM 374 C GLU A 24 0.158 2.732 -7.509 1.00 11.14 C ATOM 375 O GLU A 24 -0.717 1.935 -7.730 1.00 10.62 O ATOM 376 CB GLU A 24 -0.052 5.103 -7.987 1.00 19.24 C ATOM 377 CG GLU A 24 -1.245 5.003 -8.896 1.00 27.76 C ATOM 378 CD GLU A 24 -1.258 6.034 -9.987 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.552 7.035 -10.002 1.00 34.80 O ATOM 380 OE2 GLU A 24 -2.050 5.707 -10.909 1.00 36.51 O ATOM 0 H GLU A 24 1.248 5.341 -5.893 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.044 3.990 -6.321 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.010 6.103 -7.556 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.859 4.969 -8.571 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.266 4.010 -9.346 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.153 5.103 -8.302 1.00 27.76 H new ATOM 387 N ASN A 25 1.399 2.356 -7.809 1.00 9.43 N ATOM 388 CA ASN A 25 1.859 1.069 -8.347 1.00 10.96 C ATOM 389 C ASN A 25 1.559 -0.051 -7.391 1.00 9.68 C ATOM 390 O ASN A 25 0.983 -1.057 -7.749 1.00 9.33 O ATOM 391 CB ASN A 25 3.294 1.178 -8.720 1.00 16.78 C ATOM 392 CG ASN A 25 3.635 0.055 -9.696 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.058 -0.057 -10.776 1.00 25.66 O ATOM 394 ND2 ASN A 25 4.579 -0.876 -9.312 1.00 24.70 N ATOM 0 H ASN A 25 2.180 2.997 -7.671 1.00 9.43 H new ATOM 0 HA ASN A 25 1.311 0.822 -9.257 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.493 2.148 -9.176 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.921 1.109 -7.831 1.00 16.78 H new ATOM 0 HD21 ASN A 25 4.800 -1.661 -9.925 1.00 24.70 H new ATOM 0 HD22 ASN A 25 5.055 -0.779 -8.415 1.00 24.70 H new ATOM 401 N VAL A 26 1.802 0.160 -6.078 1.00 6.52 N ATOM 402 CA VAL A 26 1.525 -0.804 -5.020 1.00 5.53 C ATOM 403 C VAL A 26 0.012 -1.053 -4.908 1.00 4.42 C ATOM 404 O VAL A 26 -0.468 -2.193 -4.773 1.00 3.40 O ATOM 405 CB VAL A 26 2.106 -0.497 -3.638 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.921 -1.767 -2.781 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.564 -0.169 -3.648 1.00 8.12 C ATOM 0 H VAL A 26 2.206 1.029 -5.729 1.00 6.52 H new ATOM 0 HA VAL A 26 2.056 -1.700 -5.341 1.00 5.53 H new ATOM 0 HB VAL A 26 1.587 0.380 -3.251 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.323 -1.594 -1.783 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.860 -2.006 -2.709 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.450 -2.599 -3.245 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.898 0.036 -2.631 1.00 8.12 H new ATOM 0 HG22 VAL A 26 4.124 -1.013 -4.051 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.735 0.710 -4.270 1.00 8.12 H new ATOM 417 N LYS A 27 -0.801 0.032 -5.029 1.00 2.64 N ATOM 418 CA LYS A 27 -2.232 0.034 -4.997 1.00 4.14 C ATOM 419 C LYS A 27 -2.796 -0.698 -6.186 1.00 5.58 C ATOM 420 O LYS A 27 -3.774 -1.391 -5.987 1.00 4.11 O ATOM 421 CB LYS A 27 -2.865 1.439 -4.995 1.00 3.97 C ATOM 422 CG LYS A 27 -2.681 2.159 -3.721 1.00 7.45 C ATOM 423 CD LYS A 27 -3.391 3.518 -3.628 1.00 9.02 C ATOM 424 CE LYS A 27 -3.439 3.963 -2.186 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.365 5.139 -2.219 1.00 15.47 N ATOM 0 H LYS A 27 -0.420 0.969 -5.158 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.481 -0.458 -4.057 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.430 2.027 -5.803 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -3.931 1.350 -5.204 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.037 1.525 -2.909 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.614 2.313 -3.560 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.864 4.258 -4.231 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.401 3.441 -4.030 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.814 3.174 -1.534 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.451 4.239 -1.817 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -4.415 5.568 -1.273 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.010 5.841 -2.899 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -5.314 4.826 -2.508 1.00 15.47 H new ATOM 439 N ALA A 28 -2.188 -0.589 -7.391 1.00 6.61 N ATOM 440 CA ALA A 28 -2.607 -1.196 -8.631 1.00 7.74 C ATOM 441 C ALA A 28 -2.566 -2.727 -8.573 1.00 9.17 C ATOM 442 O ALA A 28 -3.403 -3.471 -9.165 1.00 11.45 O ATOM 443 CB ALA A 28 -1.572 -0.774 -9.736 1.00 7.68 C ATOM 0 H ALA A 28 -1.340 -0.035 -7.507 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.628 -0.872 -8.834 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -1.858 -1.216 -10.690 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -1.561 0.312 -9.828 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.578 -1.125 -9.457 1.00 7.68 H new ATOM 449 N LYS A 29 -1.616 -3.266 -7.780 1.00 8.96 N ATOM 450 CA LYS A 29 -1.526 -4.669 -7.446 1.00 7.90 C ATOM 451 C LYS A 29 -2.620 -5.193 -6.644 1.00 6.92 C ATOM 452 O LYS A 29 -3.118 -6.292 -6.909 1.00 6.87 O ATOM 453 CB LYS A 29 -0.133 -4.787 -6.792 1.00 10.28 C ATOM 454 CG LYS A 29 0.986 -4.478 -7.796 1.00 14.94 C ATOM 455 CD LYS A 29 2.317 -4.800 -7.178 1.00 19.69 C ATOM 456 CE LYS A 29 3.454 -4.289 -8.067 1.00 22.63 C ATOM 457 NZ LYS A 29 3.398 -4.906 -9.354 1.00 24.98 N ATOM 0 H LYS A 29 -0.879 -2.706 -7.352 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.630 -5.302 -8.327 1.00 7.90 H new ATOM 0 HB2 LYS A 29 -0.066 -4.100 -5.948 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.000 -5.793 -6.395 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.845 -5.062 -8.705 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.951 -3.427 -8.083 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.386 -4.345 -6.190 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.410 -5.877 -7.040 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.383 -3.206 -8.173 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.414 -4.501 -7.597 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.310 -4.782 -9.838 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 3.199 -5.921 -9.244 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.644 -4.465 -9.918 1.00 24.98 H new ATOM 471 N ILE A 30 -3.171 -4.414 -5.652 1.00 4.57 N ATOM 472 CA ILE A 30 -4.344 -4.745 -4.859 1.00 5.58 C ATOM 473 C ILE A 30 -5.670 -4.583 -5.560 1.00 7.26 C ATOM 474 O ILE A 30 -6.568 -5.377 -5.367 1.00 9.46 O ATOM 475 CB ILE A 30 -4.403 -4.123 -3.457 1.00 5.36 C ATOM 476 CG1 ILE A 30 -3.106 -4.588 -2.732 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.641 -4.600 -2.599 1.00 2.78 C ATOM 478 CD1 ILE A 30 -3.018 -4.108 -1.230 1.00 2.00 C ATOM 0 H ILE A 30 -2.773 -3.510 -5.397 1.00 4.57 H new ATOM 0 HA ILE A 30 -4.184 -5.814 -4.719 1.00 5.58 H new ATOM 0 HB ILE A 30 -4.498 -3.042 -3.559 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -3.053 -5.676 -2.761 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -2.240 -4.212 -3.277 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.614 -4.118 -1.622 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -6.564 -4.330 -3.111 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.600 -5.682 -2.471 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -2.089 -4.468 -0.787 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -3.039 -3.019 -1.194 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.865 -4.506 -0.671 1.00 2.00 H new ATOM 490 N GLN A 31 -5.736 -3.670 -6.532 1.00 7.06 N ATOM 491 CA GLN A 31 -6.786 -3.638 -7.494 1.00 8.67 C ATOM 492 C GLN A 31 -6.847 -4.843 -8.322 1.00 10.90 C ATOM 493 O GLN A 31 -7.973 -5.342 -8.515 1.00 9.63 O ATOM 494 CB GLN A 31 -6.588 -2.430 -8.502 1.00 9.12 C ATOM 495 CG GLN A 31 -6.767 -1.127 -7.738 1.00 10.76 C ATOM 496 CD GLN A 31 -6.543 0.075 -8.655 1.00 13.78 C ATOM 497 OE1 GLN A 31 -5.514 0.720 -8.465 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.471 0.293 -9.661 1.00 14.76 N ATOM 0 H GLN A 31 -5.042 -2.933 -6.655 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.700 -3.544 -6.908 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -5.596 -2.472 -8.952 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -7.310 -2.494 -9.316 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.770 -1.084 -7.313 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -6.066 -1.090 -6.904 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -8.296 -0.303 -9.732 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.329 1.049 -10.331 1.00 14.76 H new ATOM 507 N ASP A 32 -5.772 -5.396 -8.869 1.00 10.93 N ATOM 508 CA ASP A 32 -5.590 -6.660 -9.494 1.00 14.01 C ATOM 509 C ASP A 32 -5.873 -7.858 -8.569 1.00 14.04 C ATOM 510 O ASP A 32 -6.607 -8.738 -9.041 1.00 13.39 O ATOM 511 CB ASP A 32 -4.206 -6.762 -10.153 1.00 18.01 C ATOM 512 CG ASP A 32 -3.891 -8.023 -10.974 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.638 -8.201 -11.995 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.977 -8.831 -10.646 1.00 26.29 O ATOM 0 H ASP A 32 -4.894 -4.876 -8.874 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.345 -6.717 -10.278 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -4.082 -5.898 -10.806 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.455 -6.678 -9.368 1.00 18.01 H new ATOM 519 N LYS A 33 -5.394 -7.880 -7.279 1.00 14.22 N ATOM 520 CA LYS A 33 -5.663 -9.032 -6.428 1.00 14.00 C ATOM 521 C LYS A 33 -7.066 -9.073 -5.826 1.00 12.37 C ATOM 522 O LYS A 33 -7.658 -10.117 -5.680 1.00 12.17 O ATOM 523 CB LYS A 33 -4.668 -9.103 -5.245 1.00 18.62 C ATOM 524 CG LYS A 33 -3.294 -9.477 -5.724 1.00 24.00 C ATOM 525 CD LYS A 33 -2.222 -9.624 -4.618 1.00 27.61 C ATOM 526 CE LYS A 33 -0.972 -10.285 -5.163 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.140 -11.748 -5.340 1.00 30.06 N ATOM 0 H LYS A 33 -4.847 -7.136 -6.846 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.556 -9.879 -7.106 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.631 -8.139 -4.737 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -5.015 -9.835 -4.516 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -3.361 -10.419 -6.268 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.957 -8.722 -6.434 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.973 -8.643 -4.214 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.622 -10.216 -3.794 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.713 -9.833 -6.120 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.139 -10.097 -4.485 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.227 -12.173 -5.600 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.477 -12.169 -4.451 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.834 -11.929 -6.093 1.00 30.06 H new ATOM 541 N GLU A 34 -7.574 -7.976 -5.320 1.00 10.11 N ATOM 542 CA GLU A 34 -8.735 -8.003 -4.468 1.00 10.07 C ATOM 543 C GLU A 34 -9.846 -7.109 -4.950 1.00 9.32 C ATOM 544 O GLU A 34 -10.904 -7.154 -4.378 1.00 11.61 O ATOM 545 CB GLU A 34 -8.406 -7.494 -3.055 1.00 14.77 C ATOM 546 CG GLU A 34 -7.494 -8.427 -2.165 1.00 18.75 C ATOM 547 CD GLU A 34 -8.221 -9.709 -1.832 1.00 22.28 C ATOM 548 OE1 GLU A 34 -9.327 -9.668 -1.202 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.737 -10.853 -2.208 1.00 25.19 O ATOM 0 H GLU A 34 -7.196 -7.044 -5.487 1.00 10.11 H new ATOM 0 HA GLU A 34 -9.047 -9.047 -4.476 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.916 -6.525 -3.147 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.344 -7.328 -2.525 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.568 -8.653 -2.694 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -7.218 -7.908 -1.247 1.00 18.75 H new ATOM 556 N GLY A 35 -9.758 -6.330 -6.058 1.00 7.22 N ATOM 557 CA GLY A 35 -10.806 -5.443 -6.568 1.00 6.29 C ATOM 558 C GLY A 35 -11.231 -4.217 -5.781 1.00 6.93 C ATOM 559 O GLY A 35 -12.345 -3.722 -5.869 1.00 7.41 O ATOM 0 H GLY A 35 -8.917 -6.310 -6.635 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.485 -5.098 -7.551 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.697 -6.052 -6.719 1.00 6.29 H new ATOM 563 N ILE A 36 -10.390 -3.681 -4.916 1.00 5.86 N ATOM 564 CA ILE A 36 -10.718 -2.551 -4.027 1.00 6.07 C ATOM 565 C ILE A 36 -10.261 -1.270 -4.745 1.00 6.36 C ATOM 566 O ILE A 36 -9.089 -1.143 -5.091 1.00 6.18 O ATOM 567 CB ILE A 36 -10.066 -2.617 -2.659 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.475 -3.956 -1.991 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.572 -1.411 -1.875 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.604 -4.125 -0.724 1.00 9.49 C ATOM 0 H ILE A 36 -9.434 -4.018 -4.799 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.791 -2.577 -3.837 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.977 -2.586 -2.705 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.533 -3.948 -1.731 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.322 -4.790 -2.676 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -10.130 -1.413 -0.879 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.291 -0.495 -2.395 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.658 -1.462 -1.790 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.864 -5.059 -0.226 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.551 -4.145 -1.006 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.782 -3.290 -0.046 1.00 9.49 H new ATOM 582 N PRO A 37 -11.091 -0.309 -5.197 1.00 8.65 N ATOM 583 CA PRO A 37 -10.757 0.987 -5.759 1.00 9.18 C ATOM 584 C PRO A 37 -9.570 1.802 -5.151 1.00 9.85 C ATOM 585 O PRO A 37 -9.397 1.786 -3.933 1.00 8.51 O ATOM 586 CB PRO A 37 -12.004 1.832 -5.664 1.00 11.42 C ATOM 587 CG PRO A 37 -13.109 0.858 -5.362 1.00 9.27 C ATOM 588 CD PRO A 37 -12.474 -0.340 -4.759 1.00 8.33 C ATOM 0 HA PRO A 37 -10.401 0.761 -6.764 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.914 2.583 -4.879 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -12.191 2.366 -6.596 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.834 1.297 -4.677 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.649 0.593 -6.271 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.542 -0.314 -3.671 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.969 -1.254 -5.088 1.00 8.33 H new ATOM 596 N PRO A 38 -8.655 2.484 -5.894 1.00 8.71 N ATOM 597 CA PRO A 38 -7.336 2.905 -5.406 1.00 9.08 C ATOM 598 C PRO A 38 -7.415 4.069 -4.422 1.00 9.28 C ATOM 599 O PRO A 38 -6.411 4.340 -3.750 1.00 6.50 O ATOM 600 CB PRO A 38 -6.487 3.250 -6.713 1.00 10.31 C ATOM 601 CG PRO A 38 -7.534 3.404 -7.823 1.00 10.81 C ATOM 602 CD PRO A 38 -8.716 2.468 -7.368 1.00 12.00 C ATOM 0 HA PRO A 38 -6.858 2.114 -4.827 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.911 4.166 -6.581 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.776 2.457 -6.945 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -7.861 4.439 -7.922 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -7.136 3.101 -8.791 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -9.676 2.837 -7.729 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -8.595 1.458 -7.759 1.00 12.00 H new ATOM 610 N ASP A 39 -8.539 4.831 -4.354 1.00 11.20 N ATOM 611 CA ASP A 39 -8.705 5.946 -3.378 1.00 14.96 C ATOM 612 C ASP A 39 -9.774 5.650 -2.284 1.00 13.99 C ATOM 613 O ASP A 39 -10.067 6.426 -1.373 1.00 13.75 O ATOM 614 CB ASP A 39 -9.060 7.234 -4.106 1.00 24.16 C ATOM 615 CG ASP A 39 -7.940 7.925 -4.923 1.00 31.06 C ATOM 616 OD1 ASP A 39 -6.797 7.474 -4.931 1.00 34.22 O ATOM 617 OD2 ASP A 39 -8.272 8.993 -5.516 1.00 35.55 O ATOM 0 H ASP A 39 -9.345 4.694 -4.964 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.748 6.054 -2.868 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -9.887 7.021 -4.783 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -9.427 7.947 -3.368 1.00 24.16 H new ATOM 622 N GLN A 40 -10.284 4.388 -2.381 1.00 11.60 N ATOM 623 CA GLN A 40 -10.981 3.715 -1.241 1.00 10.76 C ATOM 624 C GLN A 40 -9.900 3.192 -0.322 1.00 8.01 C ATOM 625 O GLN A 40 -9.897 3.495 0.871 1.00 8.96 O ATOM 626 CB GLN A 40 -11.944 2.560 -1.616 1.00 11.14 C ATOM 627 CG GLN A 40 -12.746 2.199 -0.406 1.00 14.85 C ATOM 628 CD GLN A 40 -13.741 1.115 -0.690 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.458 -0.086 -0.555 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.946 1.491 -1.117 1.00 18.16 N ATOM 0 H GLN A 40 -10.227 3.821 -3.227 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.631 4.460 -0.781 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.602 2.865 -2.430 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.380 1.696 -1.968 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.075 1.875 0.389 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.269 3.083 -0.041 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.163 2.482 -1.223 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.651 0.788 -1.338 1.00 18.16 H new ATOM 639 N GLN A 41 -8.898 2.493 -0.983 1.00 6.52 N ATOM 640 CA GLN A 41 -7.642 2.102 -0.392 1.00 3.87 C ATOM 641 C GLN A 41 -6.776 3.285 0.179 1.00 4.79 C ATOM 642 O GLN A 41 -6.518 4.265 -0.478 1.00 6.34 O ATOM 643 CB GLN A 41 -6.766 1.382 -1.462 1.00 4.20 C ATOM 644 CG GLN A 41 -7.310 0.036 -1.902 1.00 3.20 C ATOM 645 CD GLN A 41 -6.261 -0.591 -2.789 1.00 4.89 C ATOM 646 OE1 GLN A 41 -5.113 -0.853 -2.389 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.572 -0.800 -4.096 1.00 7.13 N ATOM 0 H GLN A 41 -8.987 2.202 -1.957 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.918 1.461 0.445 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.674 2.028 -2.335 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.762 1.243 -1.061 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.516 -0.598 -1.040 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -8.250 0.157 -2.441 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.510 -0.589 -4.437 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.867 -1.168 -4.735 1.00 7.13 H new ATOM 656 N ARG A 42 -6.205 3.114 1.412 1.00 5.73 N ATOM 657 CA ARG A 42 -5.167 3.987 1.990 1.00 6.97 C ATOM 658 C ARG A 42 -4.148 3.096 2.705 1.00 7.15 C ATOM 659 O ARG A 42 -4.451 2.123 3.416 1.00 7.33 O ATOM 660 CB ARG A 42 -5.927 4.976 2.914 1.00 13.23 C ATOM 661 CG ARG A 42 -6.307 6.278 2.189 1.00 21.27 C ATOM 662 CD ARG A 42 -6.573 7.424 3.141 1.00 26.14 C ATOM 663 NE ARG A 42 -6.753 8.640 2.355 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.303 9.809 2.724 1.00 34.32 C ATOM 665 NH1 ARG A 42 -7.707 10.076 3.956 1.00 35.30 N ATOM 666 NH2 ARG A 42 -7.246 10.791 1.862 1.00 36.39 N ATOM 0 H ARG A 42 -6.468 2.348 2.032 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.596 4.568 1.265 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.830 4.496 3.291 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.306 5.212 3.778 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.503 6.557 1.508 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.194 6.104 1.581 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.462 7.223 3.738 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.742 7.541 3.836 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.415 8.597 1.394 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -7.608 9.373 4.689 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -8.117 10.984 4.173 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -6.798 10.649 0.957 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -7.649 11.698 2.095 1.00 36.39 H new ATOM 680 N LEU A 43 -2.851 3.339 2.361 1.00 4.65 N ATOM 681 CA LEU A 43 -1.773 2.462 2.783 1.00 3.51 C ATOM 682 C LEU A 43 -0.928 3.184 3.747 1.00 5.56 C ATOM 683 O LEU A 43 -0.610 4.378 3.626 1.00 4.19 O ATOM 684 CB LEU A 43 -1.063 1.963 1.523 1.00 3.74 C ATOM 685 CG LEU A 43 -0.238 0.685 1.622 1.00 6.32 C ATOM 686 CD1 LEU A 43 -1.014 -0.672 1.636 1.00 9.55 C ATOM 687 CD2 LEU A 43 0.754 0.699 0.422 1.00 6.41 C ATOM 0 H LEU A 43 -2.551 4.134 1.797 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.115 1.574 3.314 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -1.819 1.813 0.752 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.405 2.759 1.174 1.00 3.74 H new ATOM 0 HG LEU A 43 0.237 0.710 2.603 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.304 -1.496 1.710 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -1.689 -0.697 2.492 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -1.591 -0.771 0.716 1.00 9.55 H new ATOM 0 HD21 LEU A 43 1.370 -0.200 0.449 1.00 6.41 H new ATOM 0 HD22 LEU A 43 0.194 0.727 -0.513 1.00 6.41 H new ATOM 0 HD23 LEU A 43 1.393 1.579 0.489 1.00 6.41 H new ATOM 699 N ILE A 44 -0.633 2.419 4.846 1.00 4.58 N ATOM 700 CA ILE A 44 0.004 2.962 6.088 1.00 5.55 C ATOM 701 C ILE A 44 1.325 2.277 6.320 1.00 5.46 C ATOM 702 O ILE A 44 1.450 1.049 6.283 1.00 6.04 O ATOM 703 CB ILE A 44 -0.920 2.746 7.262 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.377 3.201 6.912 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.377 3.469 8.563 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.647 4.656 6.864 1.00 13.90 C ATOM 0 H ILE A 44 -0.829 1.419 4.894 1.00 4.58 H new ATOM 0 HA ILE A 44 0.182 4.031 5.974 1.00 5.55 H new ATOM 0 HB ILE A 44 -0.949 1.678 7.478 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.637 2.779 5.941 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.052 2.758 7.644 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.065 3.294 9.390 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.605 3.071 8.817 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.297 4.540 8.378 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.694 4.824 6.611 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.434 5.098 7.837 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.012 5.119 6.109 1.00 13.90 H new ATOM 718 N PHE A 45 2.451 3.048 6.623 1.00 6.75 N ATOM 719 CA PHE A 45 3.718 2.511 7.122 1.00 4.70 C ATOM 720 C PHE A 45 4.199 3.223 8.410 1.00 6.34 C ATOM 721 O PHE A 45 4.285 4.443 8.391 1.00 5.45 O ATOM 722 CB PHE A 45 4.888 2.691 6.103 1.00 5.51 C ATOM 723 CG PHE A 45 6.117 1.944 6.463 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.147 0.505 6.602 1.00 6.86 C ATOM 725 CD2 PHE A 45 7.315 2.607 6.680 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.297 -0.133 7.065 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.496 1.933 7.108 1.00 6.64 C ATOM 728 CZ PHE A 45 8.461 0.571 7.411 1.00 6.84 C ATOM 0 H PHE A 45 2.464 4.062 6.513 1.00 6.75 H new ATOM 0 HA PHE A 45 3.501 1.458 7.302 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.552 2.366 5.118 1.00 5.51 H new ATOM 0 HB3 PHE A 45 5.129 3.751 6.024 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.275 -0.078 6.346 1.00 6.86 H new ATOM 0 HD2 PHE A 45 7.355 3.674 6.519 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.292 -1.209 7.161 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.423 2.479 7.198 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.294 0.080 7.891 1.00 6.84 H new ATOM 738 N ALA A 46 4.414 2.479 9.497 1.00 6.53 N ATOM 739 CA ALA A 46 4.957 3.091 10.678 1.00 7.15 C ATOM 740 C ALA A 46 4.218 4.283 11.348 1.00 9.00 C ATOM 741 O ALA A 46 4.762 5.227 11.945 1.00 11.15 O ATOM 742 CB ALA A 46 6.498 3.321 10.479 1.00 8.99 C ATOM 0 H ALA A 46 4.222 1.480 9.570 1.00 6.53 H new ATOM 0 HA ALA A 46 4.764 2.356 11.459 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.915 3.785 11.373 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.989 2.364 10.305 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.661 3.974 9.621 1.00 8.99 H new ATOM 748 N GLY A 47 2.873 4.274 11.279 1.00 9.35 N ATOM 749 CA GLY A 47 2.014 5.405 11.575 1.00 11.68 C ATOM 750 C GLY A 47 1.864 6.442 10.553 1.00 11.14 C ATOM 751 O GLY A 47 1.078 7.350 10.837 1.00 13.93 O ATOM 0 H GLY A 47 2.349 3.443 11.005 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.021 5.018 11.806 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.390 5.881 12.481 1.00 11.68 H new ATOM 755 N LYS A 48 2.559 6.417 9.372 1.00 10.47 N ATOM 756 CA LYS A 48 2.359 7.419 8.326 1.00 8.82 C ATOM 757 C LYS A 48 1.411 6.961 7.204 1.00 7.68 C ATOM 758 O LYS A 48 1.641 5.867 6.729 1.00 6.47 O ATOM 759 CB LYS A 48 3.678 7.966 7.772 1.00 9.74 C ATOM 760 CG LYS A 48 3.448 9.232 6.966 1.00 14.14 C ATOM 761 CD LYS A 48 4.781 9.724 6.361 1.00 16.32 C ATOM 762 CE LYS A 48 5.660 10.287 7.472 1.00 20.04 C ATOM 763 NZ LYS A 48 6.969 10.637 6.808 1.00 23.92 N ATOM 0 H LYS A 48 3.255 5.708 9.142 1.00 10.47 H new ATOM 0 HA LYS A 48 1.854 8.247 8.823 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.363 8.174 8.594 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.153 7.212 7.144 1.00 9.74 H new ATOM 0 HG2 LYS A 48 2.727 9.041 6.171 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.021 10.006 7.604 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.291 8.902 5.859 1.00 16.32 H new ATOM 0 HD3 LYS A 48 4.592 10.489 5.608 1.00 16.32 H new ATOM 0 HE2 LYS A 48 5.203 11.166 7.927 1.00 20.04 H new ATOM 0 HE3 LYS A 48 5.806 9.555 8.267 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 7.623 11.030 7.515 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.386 9.781 6.390 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 6.802 11.341 6.061 1.00 23.92 H new ATOM 777 N GLN A 49 0.420 7.802 6.779 1.00 8.89 N ATOM 778 CA GLN A 49 -0.431 7.634 5.532 1.00 7.18 C ATOM 779 C GLN A 49 0.408 7.891 4.303 1.00 8.23 C ATOM 780 O GLN A 49 1.016 8.944 4.192 1.00 9.70 O ATOM 781 CB GLN A 49 -1.609 8.638 5.704 1.00 11.67 C ATOM 782 CG GLN A 49 -2.665 8.536 4.679 1.00 15.82 C ATOM 783 CD GLN A 49 -3.864 9.361 5.133 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.659 9.025 6.010 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.071 10.449 4.351 1.00 20.67 N ATOM 0 H GLN A 49 0.175 8.643 7.301 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.823 6.625 5.404 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.059 8.484 6.685 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.208 9.652 5.693 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.297 8.899 3.719 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.954 7.495 4.536 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.390 10.698 3.633 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.907 11.018 4.480 1.00 20.67 H new ATOM 794 N LEU A 50 0.420 7.040 3.318 1.00 6.51 N ATOM 795 CA LEU A 50 1.391 6.994 2.244 1.00 7.41 C ATOM 796 C LEU A 50 0.734 7.424 0.983 1.00 8.27 C ATOM 797 O LEU A 50 -0.266 6.848 0.564 1.00 8.34 O ATOM 798 CB LEU A 50 2.079 5.660 2.021 1.00 7.13 C ATOM 799 CG LEU A 50 2.634 4.930 3.245 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.026 3.448 2.915 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.790 5.729 3.812 1.00 9.11 C ATOM 0 H LEU A 50 -0.289 6.311 3.231 1.00 6.51 H new ATOM 0 HA LEU A 50 2.189 7.669 2.552 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.369 4.996 1.528 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.902 5.820 1.325 1.00 7.13 H new ATOM 0 HG LEU A 50 1.857 4.859 4.006 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.416 2.966 3.812 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.146 2.908 2.566 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.790 3.438 2.137 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.193 5.216 4.686 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.570 5.826 3.057 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.440 6.720 4.102 1.00 9.11 H new ATOM 813 N GLU A 51 1.152 8.555 0.377 1.00 9.43 N ATOM 814 CA GLU A 51 0.303 9.196 -0.664 1.00 11.90 C ATOM 815 C GLU A 51 0.602 8.720 -2.119 1.00 11.49 C ATOM 816 O GLU A 51 1.730 8.395 -2.383 1.00 9.88 O ATOM 817 CB GLU A 51 0.385 10.768 -0.533 1.00 16.56 C ATOM 818 CG GLU A 51 0.224 11.392 0.867 1.00 26.06 C ATOM 819 CD GLU A 51 0.337 12.919 0.898 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.437 13.401 1.129 1.00 32.13 O ATOM 821 OE2 GLU A 51 -0.795 13.535 0.846 1.00 33.44 O ATOM 0 H GLU A 51 2.032 9.031 0.574 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.720 8.870 -0.475 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.349 11.085 -0.930 1.00 16.56 H new ATOM 0 HB3 GLU A 51 -0.382 11.196 -1.178 1.00 16.56 H new ATOM 0 HG2 GLU A 51 -0.747 11.104 1.270 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.981 10.971 1.528 1.00 26.06 H new ATOM 828 N ASP A 52 -0.433 8.632 -2.960 1.00 12.71 N ATOM 829 CA ASP A 52 -0.377 7.885 -4.188 1.00 16.56 C ATOM 830 C ASP A 52 0.867 8.017 -5.074 1.00 15.83 C ATOM 831 O ASP A 52 1.548 7.042 -5.406 1.00 17.21 O ATOM 832 CB ASP A 52 -1.576 8.332 -5.088 1.00 21.05 C ATOM 833 CG ASP A 52 -2.902 8.100 -4.391 1.00 25.12 C ATOM 834 OD1 ASP A 52 -3.282 6.921 -3.971 1.00 25.82 O ATOM 835 OD2 ASP A 52 -3.655 9.044 -4.139 1.00 28.37 O ATOM 0 H ASP A 52 -1.331 9.085 -2.793 1.00 12.71 H new ATOM 0 HA ASP A 52 -0.384 6.852 -3.841 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.473 9.388 -5.337 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.555 7.780 -6.027 1.00 21.05 H new ATOM 840 N GLY A 53 1.219 9.261 -5.445 1.00 15.00 N ATOM 841 CA GLY A 53 2.407 9.574 -6.219 1.00 11.77 C ATOM 842 C GLY A 53 3.713 9.768 -5.508 1.00 11.10 C ATOM 843 O GLY A 53 4.700 10.200 -6.065 1.00 11.25 O ATOM 0 H GLY A 53 0.667 10.084 -5.205 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.545 8.774 -6.946 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.201 10.484 -6.782 1.00 11.77 H new ATOM 847 N ARG A 54 3.863 9.369 -4.257 1.00 8.53 N ATOM 848 CA ARG A 54 5.142 9.260 -3.567 1.00 9.05 C ATOM 849 C ARG A 54 5.641 7.849 -3.730 1.00 8.96 C ATOM 850 O ARG A 54 4.873 6.943 -4.032 1.00 11.60 O ATOM 851 CB ARG A 54 4.947 9.575 -2.117 1.00 7.97 C ATOM 852 CG ARG A 54 4.481 11.045 -1.937 1.00 9.62 C ATOM 853 CD ARG A 54 5.495 12.067 -2.455 1.00 12.20 C ATOM 854 NE ARG A 54 5.111 13.394 -1.867 1.00 18.23 N ATOM 855 CZ ARG A 54 5.925 14.445 -1.875 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.136 14.303 -2.490 1.00 25.50 N ATOM 857 NH2 ARG A 54 5.492 15.608 -1.376 1.00 23.38 N ATOM 0 H ARG A 54 3.072 9.102 -3.671 1.00 8.53 H new ATOM 0 HA ARG A 54 5.868 9.959 -3.982 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.208 8.898 -1.688 1.00 7.97 H new ATOM 0 HB3 ARG A 54 5.879 9.414 -1.575 1.00 7.97 H new ATOM 0 HG2 ARG A 54 3.534 11.186 -2.459 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.293 11.233 -0.880 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.507 11.791 -2.159 1.00 12.20 H new ATOM 0 HD3 ARG A 54 5.481 12.108 -3.544 1.00 12.20 H new ATOM 0 HE ARG A 54 4.188 13.493 -1.444 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.388 13.414 -2.922 1.00 25.50 H new ATOM 0 HH12 ARG A 54 7.789 15.086 -2.518 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.548 15.680 -0.996 1.00 23.38 H new ATOM 0 HH22 ARG A 54 6.106 16.423 -1.376 1.00 23.38 H new ATOM 871 N THR A 55 6.953 7.628 -3.512 1.00 9.05 N ATOM 872 CA THR A 55 7.586 6.337 -3.642 1.00 9.03 C ATOM 873 C THR A 55 8.026 5.678 -2.307 1.00 8.15 C ATOM 874 O THR A 55 8.020 6.286 -1.240 1.00 5.91 O ATOM 875 CB THR A 55 8.762 6.364 -4.635 1.00 11.15 C ATOM 876 OG1 THR A 55 9.861 7.072 -4.163 1.00 11.95 O ATOM 877 CG2 THR A 55 8.406 6.911 -6.006 1.00 11.71 C ATOM 0 H THR A 55 7.599 8.368 -3.236 1.00 9.05 H new ATOM 0 HA THR A 55 6.793 5.703 -4.039 1.00 9.03 H new ATOM 0 HB THR A 55 9.019 5.310 -4.736 1.00 11.15 H new ATOM 0 HG1 THR A 55 9.639 8.025 -4.113 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.289 6.896 -6.644 1.00 11.71 H new ATOM 0 HG22 THR A 55 7.625 6.295 -6.452 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.048 7.936 -5.907 1.00 11.71 H new ATOM 885 N LEU A 56 8.339 4.401 -2.309 1.00 6.91 N ATOM 886 CA LEU A 56 8.835 3.606 -1.225 1.00 8.29 C ATOM 887 C LEU A 56 10.207 4.079 -0.701 1.00 8.05 C ATOM 888 O LEU A 56 10.491 4.111 0.543 1.00 10.17 O ATOM 889 CB LEU A 56 8.885 2.112 -1.568 1.00 6.60 C ATOM 890 CG LEU A 56 7.469 1.429 -1.404 1.00 7.73 C ATOM 891 CD1 LEU A 56 6.332 2.041 -2.274 1.00 9.85 C ATOM 892 CD2 LEU A 56 7.508 -0.025 -1.850 1.00 8.64 C ATOM 0 H LEU A 56 8.240 3.845 -3.159 1.00 6.91 H new ATOM 0 HA LEU A 56 8.113 3.747 -0.421 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.234 1.985 -2.593 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.607 1.614 -0.921 1.00 6.60 H new ATOM 0 HG LEU A 56 7.257 1.574 -0.345 1.00 7.73 H new ATOM 0 HD11 LEU A 56 5.402 1.503 -2.089 1.00 9.85 H new ATOM 0 HD12 LEU A 56 6.201 3.092 -2.015 1.00 9.85 H new ATOM 0 HD13 LEU A 56 6.596 1.958 -3.328 1.00 9.85 H new ATOM 0 HD21 LEU A 56 6.521 -0.470 -1.726 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.800 -0.076 -2.899 1.00 8.64 H new ATOM 0 HD23 LEU A 56 8.231 -0.572 -1.245 1.00 8.64 H new ATOM 904 N SER A 57 11.064 4.559 -1.584 1.00 8.92 N ATOM 905 CA SER A 57 12.244 5.350 -1.249 1.00 9.00 C ATOM 906 C SER A 57 11.984 6.669 -0.525 1.00 9.44 C ATOM 907 O SER A 57 12.790 6.911 0.309 1.00 10.91 O ATOM 908 CB SER A 57 13.052 5.558 -2.512 1.00 10.32 C ATOM 909 OG SER A 57 14.444 5.906 -2.222 1.00 13.59 O ATOM 0 H SER A 57 10.958 4.407 -2.587 1.00 8.92 H new ATOM 0 HA SER A 57 12.802 4.775 -0.510 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.023 4.650 -3.114 1.00 10.32 H new ATOM 0 HB3 SER A 57 12.597 6.350 -3.107 1.00 10.32 H new ATOM 0 HG SER A 57 14.932 6.030 -3.063 1.00 13.59 H new ATOM 915 N ASP A 58 10.958 7.471 -0.786 1.00 9.11 N ATOM 916 CA ASP A 58 10.626 8.697 -0.141 1.00 7.91 C ATOM 917 C ASP A 58 10.344 8.456 1.375 1.00 9.12 C ATOM 918 O ASP A 58 10.606 9.313 2.199 1.00 8.61 O ATOM 919 CB ASP A 58 9.349 9.320 -0.799 1.00 8.41 C ATOM 920 CG ASP A 58 9.749 9.873 -2.177 1.00 11.50 C ATOM 921 OD1 ASP A 58 10.667 10.666 -2.290 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.158 9.447 -3.234 1.00 11.70 O ATOM 0 H ASP A 58 10.290 7.243 -1.522 1.00 9.11 H new ATOM 0 HA ASP A 58 11.469 9.379 -0.250 1.00 7.91 H new ATOM 0 HB2 ASP A 58 8.567 8.567 -0.902 1.00 8.41 H new ATOM 0 HB3 ASP A 58 8.946 10.115 -0.171 1.00 8.41 H new ATOM 927 N TYR A 59 9.812 7.246 1.671 1.00 7.97 N ATOM 928 CA TYR A 59 9.412 6.783 3.003 1.00 8.45 C ATOM 929 C TYR A 59 10.368 5.756 3.602 1.00 10.98 C ATOM 930 O TYR A 59 10.211 5.280 4.692 1.00 12.95 O ATOM 931 CB TYR A 59 7.980 6.182 2.938 1.00 7.94 C ATOM 932 CG TYR A 59 6.893 7.130 2.490 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.700 8.381 3.113 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.190 6.777 1.330 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.670 9.212 2.622 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.146 7.666 0.818 1.00 6.52 C ATOM 937 CZ TYR A 59 4.909 8.828 1.489 1.00 6.76 C ATOM 938 OH TYR A 59 3.867 9.680 0.985 1.00 7.63 O ATOM 0 H TYR A 59 9.647 6.543 0.951 1.00 7.97 H new ATOM 0 HA TYR A 59 9.437 7.655 3.657 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.994 5.328 2.261 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.720 5.801 3.926 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.321 8.693 3.940 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.417 5.854 0.817 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.459 10.150 3.114 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.580 7.409 -0.065 1.00 6.52 H new ATOM 0 HH TYR A 59 3.961 10.576 1.372 1.00 7.63 H new ATOM 948 N ASN A 60 11.523 5.480 2.916 1.00 12.38 N ATOM 949 CA ASN A 60 12.538 4.455 3.213 1.00 13.94 C ATOM 950 C ASN A 60 11.992 3.069 3.606 1.00 14.16 C ATOM 951 O ASN A 60 12.407 2.510 4.625 1.00 14.26 O ATOM 952 CB ASN A 60 13.532 4.989 4.253 1.00 19.23 C ATOM 953 CG ASN A 60 14.024 6.341 3.844 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.679 7.413 4.321 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.937 6.291 2.870 1.00 24.09 N ATOM 0 H ASN A 60 11.772 6.016 2.084 1.00 12.38 H new ATOM 0 HA ASN A 60 13.049 4.269 2.269 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.052 5.048 5.230 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.372 4.302 4.351 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.354 7.152 2.517 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.217 5.391 2.479 1.00 24.09 H new ATOM 962 N ILE A 61 11.114 2.487 2.802 1.00 11.08 N ATOM 963 CA ILE A 61 10.510 1.204 3.014 1.00 11.78 C ATOM 964 C ILE A 61 11.437 -0.008 2.523 1.00 13.74 C ATOM 965 O ILE A 61 11.929 -0.032 1.386 1.00 14.60 O ATOM 966 CB ILE A 61 9.057 1.028 2.442 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.080 2.049 3.031 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.632 -0.495 2.472 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.723 2.296 2.291 1.00 11.42 C ATOM 0 H ILE A 61 10.795 2.931 1.941 1.00 11.08 H new ATOM 0 HA ILE A 61 10.411 1.169 4.099 1.00 11.78 H new ATOM 0 HB ILE A 61 9.033 1.282 1.382 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.850 1.738 4.050 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.600 3.005 3.098 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.623 -0.599 2.072 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.325 -1.078 1.865 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.655 -0.859 3.499 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.145 3.045 2.832 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.920 2.651 1.279 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.158 1.365 2.246 1.00 11.42 H new ATOM 981 N GLN A 62 11.674 -0.953 3.429 1.00 13.97 N ATOM 982 CA GLN A 62 12.619 -2.046 3.369 1.00 15.52 C ATOM 983 C GLN A 62 11.832 -3.393 3.085 1.00 13.94 C ATOM 984 O GLN A 62 10.638 -3.414 3.118 1.00 12.15 O ATOM 985 CB GLN A 62 13.422 -2.198 4.706 1.00 19.53 C ATOM 986 CG GLN A 62 14.185 -0.951 5.145 1.00 26.38 C ATOM 987 CD GLN A 62 15.190 -1.253 6.233 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.228 -1.872 5.938 1.00 33.23 O ATOM 989 NE2 GLN A 62 14.905 -0.888 7.507 1.00 32.71 N ATOM 0 H GLN A 62 11.154 -0.967 4.306 1.00 13.97 H new ATOM 0 HA GLN A 62 13.330 -1.833 2.571 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.729 -2.479 5.499 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.130 -3.019 4.596 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.700 -0.520 4.286 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.479 -0.201 5.502 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.044 -0.381 7.712 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.552 -1.120 8.261 1.00 32.71 H new ATOM 998 N LYS A 63 12.591 -4.422 2.698 1.00 11.73 N ATOM 999 CA LYS A 63 12.061 -5.712 2.205 1.00 11.97 C ATOM 1000 C LYS A 63 11.400 -6.483 3.316 1.00 10.41 C ATOM 1001 O LYS A 63 11.824 -6.405 4.474 1.00 9.59 O ATOM 1002 CB LYS A 63 13.268 -6.539 1.562 1.00 13.73 C ATOM 1003 CG LYS A 63 14.403 -6.908 2.552 1.00 16.98 C ATOM 1004 CD LYS A 63 15.020 -8.275 2.265 1.00 20.19 C ATOM 1005 CE LYS A 63 15.830 -8.251 0.989 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.541 -9.521 0.770 1.00 25.97 N ATOM 0 H LYS A 63 13.610 -4.389 2.716 1.00 11.73 H new ATOM 0 HA LYS A 63 11.298 -5.534 1.448 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.871 -7.457 1.128 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.693 -5.958 0.744 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.181 -6.146 2.505 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.009 -6.899 3.568 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.657 -8.572 3.098 1.00 20.19 H new ATOM 0 HD3 LYS A 63 14.232 -9.023 2.185 1.00 20.19 H new ATOM 0 HE2 LYS A 63 15.171 -8.053 0.144 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.550 -7.434 1.031 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.085 -9.466 -0.114 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.188 -9.698 1.564 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 15.852 -10.298 0.705 1.00 25.97 H new ATOM 1020 N GLU A 64 10.290 -7.228 3.107 1.00 10.04 N ATOM 1021 CA GLU A 64 9.551 -8.089 4.053 1.00 10.94 C ATOM 1022 C GLU A 64 8.885 -7.304 5.193 1.00 9.74 C ATOM 1023 O GLU A 64 8.486 -7.896 6.192 1.00 9.42 O ATOM 1024 CB GLU A 64 10.389 -9.218 4.687 1.00 18.31 C ATOM 1025 CG GLU A 64 11.017 -10.048 3.534 1.00 24.16 C ATOM 1026 CD GLU A 64 11.816 -11.223 4.036 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.811 -11.566 5.236 1.00 31.72 O ATOM 1028 OE2 GLU A 64 12.501 -11.860 3.197 1.00 32.61 O ATOM 0 H GLU A 64 9.850 -7.241 2.187 1.00 10.04 H new ATOM 0 HA GLU A 64 8.791 -8.540 3.414 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.168 -8.803 5.327 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.763 -9.851 5.316 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.225 -10.406 2.876 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.662 -9.403 2.936 1.00 24.16 H new ATOM 1035 N SER A 65 8.725 -5.953 4.976 1.00 6.85 N ATOM 1036 CA SER A 65 8.007 -4.973 5.838 1.00 6.90 C ATOM 1037 C SER A 65 6.543 -5.369 6.109 1.00 4.72 C ATOM 1038 O SER A 65 5.872 -5.925 5.240 1.00 3.91 O ATOM 1039 CB SER A 65 8.018 -3.572 5.369 1.00 7.28 C ATOM 1040 OG SER A 65 9.390 -3.054 5.299 1.00 10.56 O ATOM 0 H SER A 65 9.119 -5.506 4.148 1.00 6.85 H new ATOM 0 HA SER A 65 8.594 -5.015 6.755 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.551 -3.510 4.386 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.425 -2.954 6.043 1.00 7.28 H new ATOM 0 HG SER A 65 9.894 -3.552 4.622 1.00 10.56 H new ATOM 1046 N THR A 66 6.008 -4.938 7.296 1.00 4.48 N ATOM 1047 CA THR A 66 4.651 -5.039 7.583 1.00 3.80 C ATOM 1048 C THR A 66 3.972 -3.691 7.275 1.00 4.60 C ATOM 1049 O THR A 66 4.100 -2.695 7.987 1.00 5.33 O ATOM 1050 CB THR A 66 4.320 -5.322 9.101 1.00 2.85 C ATOM 1051 OG1 THR A 66 5.007 -6.482 9.558 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.795 -5.565 9.262 1.00 3.40 C ATOM 0 H THR A 66 6.560 -4.518 8.043 1.00 4.48 H new ATOM 0 HA THR A 66 4.297 -5.875 6.979 1.00 3.80 H new ATOM 0 HB THR A 66 4.636 -4.458 9.686 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.791 -6.640 10.501 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.566 -5.760 10.310 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.249 -4.682 8.930 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.498 -6.423 8.660 1.00 3.40 H new ATOM 1060 N LEU A 67 3.248 -3.642 6.199 1.00 4.17 N ATOM 1061 CA LEU A 67 2.476 -2.460 5.850 1.00 3.85 C ATOM 1062 C LEU A 67 1.026 -2.702 6.253 1.00 3.80 C ATOM 1063 O LEU A 67 0.673 -3.825 6.542 1.00 5.54 O ATOM 1064 CB LEU A 67 2.531 -2.019 4.331 1.00 7.18 C ATOM 1065 CG LEU A 67 3.665 -1.045 4.044 1.00 9.67 C ATOM 1066 CD1 LEU A 67 5.015 -1.701 4.071 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.427 -0.294 2.690 1.00 11.66 C ATOM 0 H LEU A 67 3.167 -4.410 5.532 1.00 4.17 H new ATOM 0 HA LEU A 67 2.936 -1.634 6.393 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.649 -2.903 3.704 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.583 -1.558 4.056 1.00 7.18 H new ATOM 0 HG LEU A 67 3.662 -0.312 4.851 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.785 -0.959 3.860 1.00 8.12 H new ATOM 0 HD12 LEU A 67 5.189 -2.134 5.056 1.00 8.12 H new ATOM 0 HD13 LEU A 67 5.053 -2.487 3.317 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.251 0.396 2.507 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.373 -1.018 1.877 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.492 0.263 2.742 1.00 11.66 H new ATOM 1079 N HIS A 68 0.179 -1.623 6.369 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.210 -1.706 6.792 1.00 4.17 C ATOM 1081 C HIS A 68 -2.095 -1.063 5.783 1.00 5.32 C ATOM 1082 O HIS A 68 -1.709 -0.058 5.234 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.391 -1.022 8.238 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.198 -1.914 9.434 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -2.200 -2.745 9.955 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.229 -1.895 10.312 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -1.762 -3.076 11.198 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.580 -2.580 11.468 1.00 16.30 N ATOM 0 H HIS A 68 0.476 -0.670 6.161 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.495 -2.755 6.873 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.687 -0.194 8.314 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.392 -0.595 8.290 1.00 5.57 H new ATOM 0 HD2 HIS A 68 0.723 -1.409 10.158 1.00 12.79 H new ATOM 0 HE1 HIS A 68 -2.328 -3.683 11.889 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -0.041 -2.675 12.329 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.231 -1.681 5.484 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.181 -1.161 4.519 1.00 3.97 C ATOM 1098 C LEU A 69 -5.371 -0.904 5.302 1.00 5.07 C ATOM 1099 O LEU A 69 -5.952 -1.742 6.046 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.415 -2.275 3.415 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.617 -2.164 2.469 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.652 -0.819 1.699 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.550 -3.307 1.408 1.00 9.96 C ATOM 0 H LEU A 69 -3.517 -2.563 5.909 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.860 -0.259 3.998 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.517 -2.316 2.798 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.492 -3.233 3.930 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.510 -2.234 3.090 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.524 -0.797 1.045 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.710 0.006 2.409 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.747 -0.719 1.100 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.404 -3.229 0.735 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.627 -3.218 0.835 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.572 -4.273 1.912 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.842 0.393 5.384 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.041 0.927 5.979 1.00 6.26 C ATOM 1117 C VAL A 70 -7.894 1.398 4.887 1.00 9.22 C ATOM 1118 O VAL A 70 -7.296 1.589 3.777 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.870 2.076 6.921 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -5.900 1.603 8.003 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.305 3.308 6.331 1.00 8.54 C ATOM 0 H VAL A 70 -5.293 1.147 4.972 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.452 0.114 6.577 1.00 6.26 H new ATOM 0 HB VAL A 70 -7.865 2.345 7.275 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -5.737 2.406 8.722 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -6.320 0.737 8.515 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -4.950 1.328 7.545 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.224 4.076 7.100 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.316 3.096 5.924 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -6.958 3.662 5.533 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.229 1.551 4.998 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.142 1.934 3.927 1.00 16.06 C ATOM 1133 C LEU A 71 -10.847 3.205 4.311 1.00 18.09 C ATOM 1134 O LEU A 71 -11.270 3.426 5.455 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.156 0.821 3.652 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.557 -0.556 3.184 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.773 -1.485 2.950 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.655 -0.481 1.948 1.00 19.57 C ATOM 0 H LEU A 71 -9.713 1.401 5.883 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.571 2.097 3.013 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.736 0.653 4.559 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.851 1.170 2.889 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.884 -0.934 3.954 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.425 -2.464 2.621 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.333 -1.592 3.879 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.419 -1.054 2.185 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.290 -1.478 1.703 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.223 -0.085 1.106 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.809 0.174 2.154 1.00 19.57 H new