USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 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 22 THR OG1 : rot -50:sc= 0.159 USER MOD Set 1.2: A 25 ASN : amide:sc= 0.154 K(o=0.31,f=-1.8!) USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0.656 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 6 LYS NZ :NH3+ 171:sc= 1.24 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 149:sc= 1.05 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 169:sc= 1.15 (180deg=1.06) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 11 LYS NZ :NH3+ -117:sc= 0.986 (180deg=-1.06!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0601 USER MOD Single : A 27 LYS NZ :NH3+ -153:sc= 1.22 (180deg=-0.206) USER MOD Single : A 29 LYS NZ :NH3+ 152:sc= 1.26 (180deg=1.19) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 41 GLN : amide:sc= 1.06 K(o=1.1,f=-2.4!) USER MOD Single : A 48 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00542) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 100:sc= 0.722 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=-0.012) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 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 11.871 -7.295 -5.070 1.00 9.67 N ATOM 2 CA MET A 1 11.697 -7.591 -3.613 1.00 10.38 C ATOM 3 C MET A 1 10.265 -7.937 -3.268 1.00 9.62 C ATOM 4 O MET A 1 9.378 -7.478 -3.961 1.00 9.62 O ATOM 5 CB MET A 1 12.193 -6.413 -2.776 1.00 13.77 C ATOM 6 CG MET A 1 11.385 -5.120 -2.785 1.00 16.29 C ATOM 7 SD MET A 1 12.072 -3.966 -1.633 1.00 17.17 S ATOM 8 CE MET A 1 10.953 -2.568 -1.922 1.00 16.11 C ATOM 0 H1 MET A 1 12.813 -6.886 -5.231 1.00 9.67 H new ATOM 0 H2 MET A 1 11.778 -8.175 -5.617 1.00 9.67 H new ATOM 0 H3 MET A 1 11.143 -6.619 -5.376 1.00 9.67 H new ATOM 0 HA MET A 1 12.297 -8.470 -3.378 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.267 -6.750 -1.742 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.204 -6.174 -3.107 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.384 -4.689 -3.786 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.347 -5.329 -2.527 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.235 -1.737 -1.276 1.00 16.11 H new ATOM 0 HE2 MET A 1 11.021 -2.257 -2.964 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.929 -2.869 -1.700 1.00 16.11 H new ATOM 20 N GLN A 2 10.050 -8.723 -2.187 1.00 9.27 N ATOM 21 CA GLN A 2 8.672 -8.964 -1.648 1.00 9.07 C ATOM 22 C GLN A 2 8.289 -8.091 -0.373 1.00 8.72 C ATOM 23 O GLN A 2 9.080 -7.858 0.520 1.00 8.22 O ATOM 24 CB GLN A 2 8.447 -10.463 -1.293 1.00 14.46 C ATOM 25 CG GLN A 2 9.210 -10.956 -0.065 1.00 17.01 C ATOM 26 CD GLN A 2 8.779 -12.434 0.159 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.655 -12.924 0.008 1.00 21.89 O ATOM 28 NE2 GLN A 2 9.760 -13.262 0.657 1.00 19.49 N ATOM 0 H GLN A 2 10.792 -9.197 -1.672 1.00 9.27 H new ATOM 0 HA GLN A 2 8.020 -8.654 -2.465 1.00 9.07 H new ATOM 0 HB2 GLN A 2 7.382 -10.627 -1.130 1.00 14.46 H new ATOM 0 HB3 GLN A 2 8.736 -11.071 -2.150 1.00 14.46 H new ATOM 0 HG2 GLN A 2 10.286 -10.885 -0.223 1.00 17.01 H new ATOM 0 HG3 GLN A 2 8.975 -10.347 0.808 1.00 17.01 H new ATOM 0 HE21 GLN A 2 10.705 -12.905 0.800 1.00 19.49 H new ATOM 0 HE22 GLN A 2 9.542 -14.232 0.883 1.00 19.49 H new ATOM 37 N ILE A 3 7.007 -7.629 -0.232 1.00 5.87 N ATOM 38 CA ILE A 3 6.474 -6.954 0.923 1.00 5.07 C ATOM 39 C ILE A 3 5.121 -7.511 1.274 1.00 4.01 C ATOM 40 O ILE A 3 4.433 -8.150 0.424 1.00 4.61 O ATOM 41 CB ILE A 3 6.278 -5.412 0.798 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.465 -4.991 -0.508 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.586 -4.658 0.828 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.276 -3.417 -0.677 1.00 10.83 C ATOM 0 H ILE A 3 6.313 -7.738 -0.972 1.00 5.87 H new ATOM 0 HA ILE A 3 7.238 -7.129 1.680 1.00 5.07 H new ATOM 0 HB ILE A 3 5.690 -5.137 1.674 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.981 -5.381 -1.386 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.483 -5.463 -0.480 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.392 -3.589 0.738 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.098 -4.855 1.770 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.213 -4.984 -0.002 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.714 -3.214 -1.588 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.732 -3.022 0.181 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.253 -2.938 -0.739 1.00 10.83 H new ATOM 56 N PHE A 4 4.697 -7.342 2.535 1.00 4.55 N ATOM 57 CA PHE A 4 3.488 -7.872 3.081 1.00 4.68 C ATOM 58 C PHE A 4 2.516 -6.738 3.337 1.00 5.30 C ATOM 59 O PHE A 4 2.885 -5.672 3.820 1.00 5.58 O ATOM 60 CB PHE A 4 3.789 -8.639 4.418 1.00 4.83 C ATOM 61 CG PHE A 4 4.630 -9.833 4.072 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.108 -10.910 3.388 1.00 6.69 C ATOM 63 CD2 PHE A 4 6.025 -9.813 4.423 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.928 -11.953 2.943 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.855 -10.810 3.919 1.00 10.61 C ATOM 66 CZ PHE A 4 6.307 -11.862 3.158 1.00 8.90 C ATOM 0 H PHE A 4 5.231 -6.802 3.216 1.00 4.55 H new ATOM 0 HA PHE A 4 3.047 -8.573 2.372 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.312 -7.992 5.122 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.862 -8.949 4.899 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.047 -10.950 3.192 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.420 -9.040 5.065 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.504 -12.812 2.443 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.917 -10.778 4.111 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.962 -12.609 2.734 1.00 8.90 H new ATOM 76 N VAL A 5 1.235 -6.959 2.986 1.00 4.44 N ATOM 77 CA VAL A 5 0.233 -5.975 3.256 1.00 3.87 C ATOM 78 C VAL A 5 -0.828 -6.530 4.202 1.00 4.93 C ATOM 79 O VAL A 5 -1.433 -7.579 3.906 1.00 6.84 O ATOM 80 CB VAL A 5 -0.386 -5.457 1.958 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.240 -4.141 2.158 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.780 -5.219 0.974 1.00 9.13 C ATOM 0 H VAL A 5 0.898 -7.803 2.524 1.00 4.44 H new ATOM 0 HA VAL A 5 0.707 -5.129 3.752 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.091 -6.193 1.573 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.652 -3.825 1.199 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.054 -4.338 2.855 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.603 -3.351 2.557 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.387 -4.847 0.028 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.468 -4.485 1.395 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.309 -6.156 0.804 1.00 9.13 H new ATOM 92 N LYS A 6 -1.136 -5.859 5.373 1.00 6.04 N ATOM 93 CA LYS A 6 -2.083 -6.369 6.330 1.00 6.12 C ATOM 94 C LYS A 6 -3.364 -5.504 6.367 1.00 6.57 C ATOM 95 O LYS A 6 -3.384 -4.277 6.545 1.00 5.76 O ATOM 96 CB LYS A 6 -1.397 -6.576 7.677 1.00 7.45 C ATOM 97 CG LYS A 6 -0.468 -7.807 7.657 1.00 11.12 C ATOM 98 CD LYS A 6 -0.242 -8.257 9.093 1.00 14.54 C ATOM 99 CE LYS A 6 0.917 -9.180 9.336 1.00 18.84 C ATOM 100 NZ LYS A 6 0.589 -10.565 9.082 1.00 20.55 N ATOM 0 H LYS A 6 -0.719 -4.967 5.637 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.436 -7.354 6.024 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.819 -5.688 7.932 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.151 -6.701 8.455 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.915 -8.611 7.073 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.482 -7.559 7.183 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.105 -7.369 9.710 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.149 -8.751 9.442 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.751 -8.885 8.699 1.00 18.84 H new ATOM 0 HE3 LYS A 6 1.251 -9.073 10.368 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.456 -11.139 9.116 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.078 -10.902 9.805 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.153 -10.652 8.142 1.00 20.55 H new ATOM 114 N THR A 7 -4.495 -6.192 6.190 1.00 7.41 N ATOM 115 CA THR A 7 -5.874 -5.620 6.168 1.00 7.48 C ATOM 116 C THR A 7 -6.315 -5.285 7.606 1.00 8.75 C ATOM 117 O THR A 7 -5.659 -5.682 8.574 1.00 8.58 O ATOM 118 CB THR A 7 -6.869 -6.525 5.405 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.303 -7.661 6.150 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.200 -7.018 4.097 1.00 9.17 C ATOM 0 H THR A 7 -4.492 -7.203 6.051 1.00 7.41 H new ATOM 0 HA THR A 7 -5.866 -4.688 5.604 1.00 7.48 H new ATOM 0 HB THR A 7 -7.753 -5.918 5.208 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.930 -8.187 5.610 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.894 -7.657 3.552 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.934 -6.161 3.479 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.300 -7.583 4.339 1.00 9.17 H new ATOM 128 N LEU A 8 -7.426 -4.564 7.741 1.00 9.84 N ATOM 129 CA LEU A 8 -8.172 -4.244 8.939 1.00 14.15 C ATOM 130 C LEU A 8 -8.605 -5.468 9.681 1.00 17.37 C ATOM 131 O LEU A 8 -8.448 -5.517 10.877 1.00 17.01 O ATOM 132 CB LEU A 8 -9.431 -3.403 8.595 1.00 16.63 C ATOM 133 CG LEU A 8 -10.176 -2.607 9.684 1.00 18.88 C ATOM 134 CD1 LEU A 8 -11.083 -3.466 10.605 1.00 19.31 C ATOM 135 CD2 LEU A 8 -9.171 -1.806 10.577 1.00 18.59 C ATOM 0 H LEU A 8 -7.866 -4.149 6.920 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.499 -3.671 9.576 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.138 -2.691 7.823 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.155 -4.082 8.144 1.00 16.63 H new ATOM 0 HG LEU A 8 -10.830 -1.933 9.131 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -11.567 -2.824 11.340 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -11.843 -3.966 10.004 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.477 -4.213 11.118 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -9.722 -1.253 11.338 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -8.481 -2.499 11.060 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -8.609 -1.108 9.956 1.00 18.59 H new ATOM 147 N THR A 9 -9.020 -6.529 8.929 1.00 18.33 N ATOM 148 CA THR A 9 -9.601 -7.679 9.617 1.00 19.24 C ATOM 149 C THR A 9 -8.610 -8.806 9.780 1.00 19.48 C ATOM 150 O THR A 9 -8.950 -9.917 10.231 1.00 23.14 O ATOM 151 CB THR A 9 -10.919 -8.178 9.025 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.781 -8.401 7.635 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.041 -7.141 9.229 1.00 19.70 C ATOM 0 H THR A 9 -8.962 -6.597 7.913 1.00 18.33 H new ATOM 0 HA THR A 9 -9.855 -7.302 10.608 1.00 19.24 H new ATOM 0 HB THR A 9 -11.175 -9.106 9.536 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.632 -8.722 7.269 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.969 -7.519 8.799 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.181 -6.962 10.295 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.767 -6.207 8.737 1.00 19.70 H new ATOM 161 N GLY A 10 -7.349 -8.503 9.401 1.00 19.43 N ATOM 162 CA GLY A 10 -6.153 -9.187 9.779 1.00 18.74 C ATOM 163 C GLY A 10 -5.619 -10.077 8.715 1.00 17.62 C ATOM 164 O GLY A 10 -4.951 -11.072 8.992 1.00 19.74 O ATOM 0 H GLY A 10 -7.158 -7.716 8.781 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.392 -8.453 10.044 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.349 -9.779 10.673 1.00 18.74 H new ATOM 168 N LYS A 11 -6.011 -9.943 7.421 1.00 13.56 N ATOM 169 CA LYS A 11 -5.548 -10.862 6.395 1.00 11.91 C ATOM 170 C LYS A 11 -4.243 -10.273 5.930 1.00 10.18 C ATOM 171 O LYS A 11 -4.063 -9.041 6.026 1.00 9.10 O ATOM 172 CB LYS A 11 -6.566 -10.976 5.213 1.00 13.43 C ATOM 173 CG LYS A 11 -6.253 -11.896 4.067 1.00 16.69 C ATOM 174 CD LYS A 11 -7.459 -11.979 3.096 1.00 17.92 C ATOM 175 CE LYS A 11 -7.677 -10.717 2.193 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.694 -10.873 1.137 1.00 21.93 N ATOM 0 H LYS A 11 -6.638 -9.212 7.085 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.439 -11.877 6.778 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.523 -11.287 5.632 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.707 -9.976 4.803 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.373 -11.537 3.534 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.013 -12.890 4.445 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.327 -12.848 2.452 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -8.364 -12.149 3.680 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -7.961 -9.879 2.829 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.728 -10.455 1.726 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.243 -10.779 0.204 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.135 -11.812 1.216 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -9.422 -10.138 1.245 1.00 21.93 H new ATOM 190 N THR A 12 -3.339 -11.148 5.501 1.00 9.63 N ATOM 191 CA THR A 12 -2.028 -10.858 4.929 1.00 9.85 C ATOM 192 C THR A 12 -1.935 -11.269 3.523 1.00 11.66 C ATOM 193 O THR A 12 -2.293 -12.380 3.113 1.00 12.33 O ATOM 194 CB THR A 12 -0.906 -11.510 5.666 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.055 -11.372 7.050 1.00 10.91 O ATOM 196 CG2 THR A 12 0.404 -10.782 5.349 1.00 9.63 C ATOM 0 H THR A 12 -3.516 -12.151 5.547 1.00 9.63 H new ATOM 0 HA THR A 12 -1.930 -9.776 5.014 1.00 9.85 H new ATOM 0 HB THR A 12 -0.903 -12.558 5.367 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.665 -12.150 7.500 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.224 -11.258 5.887 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.597 -10.830 4.277 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.325 -9.739 5.657 1.00 9.63 H new ATOM 204 N ILE A 13 -1.463 -10.424 2.670 1.00 10.42 N ATOM 205 CA ILE A 13 -1.155 -10.758 1.291 1.00 11.84 C ATOM 206 C ILE A 13 0.233 -10.279 0.878 1.00 10.55 C ATOM 207 O ILE A 13 0.676 -9.208 1.296 1.00 11.92 O ATOM 208 CB ILE A 13 -2.135 -10.229 0.302 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.478 -8.726 0.609 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.432 -11.044 0.220 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.135 -7.977 -0.580 1.00 16.46 C ATOM 0 H ILE A 13 -1.270 -9.450 2.904 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.203 -11.847 1.273 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.646 -10.313 -0.669 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.149 -8.684 1.467 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.564 -8.205 0.893 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.096 -10.598 -0.521 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.200 -12.069 -0.071 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.923 -11.045 1.193 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.342 -6.946 -0.291 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.458 -7.986 -1.434 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.068 -8.472 -0.851 1.00 16.46 H new ATOM 223 N THR A 14 0.888 -11.088 0.005 1.00 9.39 N ATOM 224 CA THR A 14 2.226 -10.824 -0.482 1.00 9.63 C ATOM 225 C THR A 14 2.131 -10.021 -1.799 1.00 11.20 C ATOM 226 O THR A 14 1.412 -10.411 -2.708 1.00 11.63 O ATOM 227 CB THR A 14 2.957 -12.129 -0.770 1.00 10.38 C ATOM 228 OG1 THR A 14 2.920 -12.974 0.380 1.00 16.30 O ATOM 229 CG2 THR A 14 4.513 -11.845 -0.943 1.00 11.66 C ATOM 0 H THR A 14 0.480 -11.944 -0.371 1.00 9.39 H new ATOM 0 HA THR A 14 2.771 -10.264 0.278 1.00 9.63 H new ATOM 0 HB THR A 14 2.488 -12.569 -1.650 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.391 -13.811 0.186 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.033 -12.781 -1.149 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.667 -11.154 -1.772 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.907 -11.405 -0.027 1.00 11.66 H new ATOM 237 N LEU A 15 2.878 -8.916 -1.842 1.00 8.29 N ATOM 238 CA LEU A 15 3.147 -8.271 -3.116 1.00 9.03 C ATOM 239 C LEU A 15 4.642 -8.333 -3.540 1.00 8.59 C ATOM 240 O LEU A 15 5.549 -8.353 -2.716 1.00 7.79 O ATOM 241 CB LEU A 15 2.673 -6.800 -3.044 1.00 11.08 C ATOM 242 CG LEU A 15 1.302 -6.671 -2.508 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.129 -5.181 -2.513 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.153 -7.316 -3.375 1.00 15.27 C ATOM 0 H LEU A 15 3.295 -8.463 -1.029 1.00 8.29 H new ATOM 0 HA LEU A 15 2.596 -8.819 -3.880 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.359 -6.231 -2.417 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.713 -6.360 -4.040 1.00 11.08 H new ATOM 0 HG LEU A 15 1.214 -7.189 -1.553 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.139 -4.928 -2.134 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.888 -4.724 -1.878 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.234 -4.806 -3.531 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.807 -7.159 -2.882 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.136 -6.850 -4.360 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.335 -8.385 -3.482 1.00 15.27 H new ATOM 256 N GLU A 16 4.984 -8.249 -4.882 1.00 11.04 N ATOM 257 CA GLU A 16 6.371 -8.194 -5.278 1.00 11.50 C ATOM 258 C GLU A 16 6.546 -6.965 -6.087 1.00 10.13 C ATOM 259 O GLU A 16 5.751 -6.692 -6.995 1.00 9.83 O ATOM 260 CB GLU A 16 6.692 -9.473 -6.102 1.00 17.22 C ATOM 261 CG GLU A 16 8.175 -9.643 -6.446 1.00 23.33 C ATOM 262 CD GLU A 16 8.567 -10.928 -7.142 1.00 26.99 C ATOM 263 OE1 GLU A 16 7.782 -11.474 -7.953 1.00 28.90 O ATOM 264 OE2 GLU A 16 9.697 -11.411 -6.893 1.00 28.86 O ATOM 0 H GLU A 16 4.314 -8.221 -5.651 1.00 11.04 H new ATOM 0 HA GLU A 16 7.048 -8.161 -4.425 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.358 -10.346 -5.541 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.116 -9.449 -7.027 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.476 -8.808 -7.079 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.750 -9.567 -5.523 1.00 23.33 H new ATOM 271 N VAL A 17 7.525 -6.178 -5.687 1.00 8.99 N ATOM 272 CA VAL A 17 7.811 -4.824 -6.127 1.00 8.85 C ATOM 273 C VAL A 17 9.351 -4.590 -6.480 1.00 8.04 C ATOM 274 O VAL A 17 10.118 -5.536 -6.389 1.00 8.99 O ATOM 275 CB VAL A 17 7.277 -3.855 -5.063 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.793 -4.089 -4.806 1.00 12.05 C ATOM 277 CG2 VAL A 17 8.057 -3.997 -3.787 1.00 10.54 C ATOM 0 H VAL A 17 8.197 -6.494 -4.988 1.00 8.99 H new ATOM 0 HA VAL A 17 7.300 -4.636 -7.071 1.00 8.85 H new ATOM 0 HB VAL A 17 7.400 -2.839 -5.438 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.440 -3.389 -4.048 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.235 -3.935 -5.730 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.641 -5.110 -4.456 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.666 -3.303 -3.043 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.965 -5.018 -3.416 1.00 10.54 H new ATOM 0 HG23 VAL A 17 9.107 -3.773 -3.976 1.00 10.54 H new ATOM 287 N GLU A 18 9.719 -3.345 -6.907 1.00 7.29 N ATOM 288 CA GLU A 18 11.052 -2.781 -6.969 1.00 7.08 C ATOM 289 C GLU A 18 11.121 -1.513 -6.237 1.00 6.45 C ATOM 290 O GLU A 18 10.163 -0.797 -6.181 1.00 5.28 O ATOM 291 CB GLU A 18 11.409 -2.492 -8.417 1.00 10.28 C ATOM 292 CG GLU A 18 11.450 -3.769 -9.259 1.00 12.65 C ATOM 293 CD GLU A 18 12.633 -4.659 -9.066 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.626 -4.350 -8.350 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.568 -5.763 -9.615 1.00 18.17 O ATOM 0 H GLU A 18 9.019 -2.680 -7.236 1.00 7.29 H new ATOM 0 HA GLU A 18 11.741 -3.500 -6.525 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.680 -1.801 -8.840 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.379 -1.997 -8.460 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.551 -4.347 -9.046 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.405 -3.485 -10.310 1.00 12.65 H new ATOM 302 N PRO A 19 12.279 -1.070 -5.632 1.00 7.24 N ATOM 303 CA PRO A 19 12.334 0.071 -4.721 1.00 7.07 C ATOM 304 C PRO A 19 12.003 1.426 -5.374 1.00 6.65 C ATOM 305 O PRO A 19 11.742 2.343 -4.608 1.00 6.37 O ATOM 306 CB PRO A 19 13.861 0.066 -4.196 1.00 7.61 C ATOM 307 CG PRO A 19 14.341 -1.370 -4.437 1.00 8.16 C ATOM 308 CD PRO A 19 13.522 -1.815 -5.649 1.00 7.49 C ATOM 0 HA PRO A 19 11.583 -0.033 -3.938 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.471 0.786 -4.741 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.920 0.333 -3.141 1.00 7.61 H new ATOM 0 HG2 PRO A 19 15.411 -1.408 -4.639 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.157 -2.006 -3.571 1.00 8.16 H new ATOM 0 HD2 PRO A 19 14.070 -1.626 -6.572 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.327 -2.887 -5.608 1.00 7.49 H new ATOM 316 N SER A 20 11.960 1.468 -6.707 1.00 6.80 N ATOM 317 CA SER A 20 11.701 2.569 -7.546 1.00 6.28 C ATOM 318 C SER A 20 10.247 2.692 -7.890 1.00 8.45 C ATOM 319 O SER A 20 9.868 3.653 -8.584 1.00 7.26 O ATOM 320 CB SER A 20 12.512 2.360 -8.847 1.00 8.57 C ATOM 321 OG SER A 20 12.547 1.045 -9.371 1.00 11.13 O ATOM 0 H SER A 20 12.128 0.623 -7.254 1.00 6.80 H new ATOM 0 HA SER A 20 11.988 3.483 -7.026 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.104 3.020 -9.612 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.538 2.681 -8.664 1.00 8.57 H new ATOM 0 HG SER A 20 13.084 1.034 -10.191 1.00 11.13 H new ATOM 327 N ASP A 21 9.367 1.729 -7.486 1.00 7.50 N ATOM 328 CA ASP A 21 7.929 1.776 -7.573 1.00 7.70 C ATOM 329 C ASP A 21 7.391 2.868 -6.635 1.00 7.08 C ATOM 330 O ASP A 21 7.969 3.173 -5.599 1.00 8.11 O ATOM 331 CB ASP A 21 7.250 0.421 -7.286 1.00 11.00 C ATOM 332 CG ASP A 21 7.579 -0.598 -8.322 1.00 15.32 C ATOM 333 OD1 ASP A 21 8.096 -0.264 -9.417 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.288 -1.788 -8.122 1.00 14.36 O ATOM 0 H ASP A 21 9.693 0.857 -7.069 1.00 7.50 H new ATOM 0 HA ASP A 21 7.679 2.018 -8.606 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.564 0.058 -6.308 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.170 0.559 -7.243 1.00 11.00 H new ATOM 339 N THR A 22 6.326 3.526 -7.028 1.00 5.37 N ATOM 340 CA THR A 22 5.636 4.498 -6.259 1.00 6.01 C ATOM 341 C THR A 22 4.455 3.787 -5.582 1.00 8.01 C ATOM 342 O THR A 22 4.030 2.728 -6.047 1.00 8.11 O ATOM 343 CB THR A 22 4.988 5.692 -7.001 1.00 8.92 C ATOM 344 OG1 THR A 22 4.062 5.241 -8.014 1.00 10.22 O ATOM 345 CG2 THR A 22 6.078 6.491 -7.641 1.00 9.65 C ATOM 0 H THR A 22 5.906 3.379 -7.946 1.00 5.37 H new ATOM 0 HA THR A 22 6.412 4.915 -5.617 1.00 6.01 H new ATOM 0 HB THR A 22 4.430 6.297 -6.286 1.00 8.92 H new ATOM 0 HG1 THR A 22 4.496 4.567 -8.577 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.644 7.339 -8.171 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.762 6.854 -6.874 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.623 5.863 -8.346 1.00 9.65 H new ATOM 353 N ILE A 23 3.869 4.415 -4.591 1.00 8.32 N ATOM 354 CA ILE A 23 2.808 3.899 -3.828 1.00 9.92 C ATOM 355 C ILE A 23 1.557 3.815 -4.676 1.00 10.01 C ATOM 356 O ILE A 23 0.659 2.962 -4.475 1.00 8.71 O ATOM 357 CB ILE A 23 2.599 4.821 -2.627 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.897 5.063 -1.750 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.339 4.312 -1.826 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.762 3.758 -1.591 1.00 12.30 C ATOM 0 H ILE A 23 4.151 5.350 -4.296 1.00 8.32 H new ATOM 0 HA ILE A 23 3.037 2.892 -3.479 1.00 9.92 H new ATOM 0 HB ILE A 23 2.394 5.830 -2.986 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.503 5.844 -2.209 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.605 5.425 -0.764 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.171 4.957 -0.963 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.462 4.337 -2.473 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.511 3.290 -1.487 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.640 3.975 -0.982 1.00 12.30 H new ATOM 0 HD12 ILE A 23 4.167 2.984 -1.106 1.00 12.30 H new ATOM 0 HD13 ILE A 23 5.079 3.410 -2.574 1.00 12.30 H new ATOM 372 N GLU A 24 1.454 4.515 -5.756 1.00 9.54 N ATOM 373 CA GLU A 24 0.439 4.454 -6.837 1.00 11.81 C ATOM 374 C GLU A 24 0.513 3.200 -7.694 1.00 11.14 C ATOM 375 O GLU A 24 -0.552 2.681 -8.104 1.00 10.62 O ATOM 376 CB GLU A 24 0.603 5.791 -7.658 1.00 19.24 C ATOM 377 CG GLU A 24 -0.764 6.140 -8.440 1.00 27.76 C ATOM 378 CD GLU A 24 -0.525 7.372 -9.385 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.560 7.922 -9.694 1.00 34.80 O ATOM 380 OE2 GLU A 24 -1.605 7.918 -9.776 1.00 36.51 O ATOM 0 H GLU A 24 2.145 5.238 -5.956 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.562 4.377 -6.412 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.864 6.608 -6.986 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.422 5.690 -8.370 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.093 5.279 -9.023 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.557 6.363 -7.726 1.00 27.76 H new ATOM 387 N ASN A 25 1.706 2.669 -8.002 1.00 9.43 N ATOM 388 CA ASN A 25 1.999 1.315 -8.518 1.00 10.96 C ATOM 389 C ASN A 25 1.724 0.223 -7.437 1.00 9.68 C ATOM 390 O ASN A 25 1.144 -0.796 -7.745 1.00 9.33 O ATOM 391 CB ASN A 25 3.418 1.126 -9.043 1.00 16.78 C ATOM 392 CG ASN A 25 3.737 2.149 -10.147 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.672 2.918 -9.970 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.922 2.200 -11.214 1.00 24.70 N ATOM 0 H ASN A 25 2.560 3.215 -7.889 1.00 9.43 H new ATOM 0 HA ASN A 25 1.323 1.203 -9.366 1.00 10.96 H new ATOM 0 HB2 ASN A 25 4.130 1.234 -8.225 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.533 0.115 -9.434 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.067 2.909 -11.933 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.159 1.530 -11.305 1.00 24.70 H new ATOM 401 N VAL A 26 2.086 0.407 -6.137 1.00 6.52 N ATOM 402 CA VAL A 26 1.705 -0.521 -5.073 1.00 5.53 C ATOM 403 C VAL A 26 0.185 -0.719 -4.842 1.00 4.42 C ATOM 404 O VAL A 26 -0.306 -1.837 -4.728 1.00 3.40 O ATOM 405 CB VAL A 26 2.472 -0.230 -3.740 1.00 3.86 C ATOM 406 CG1 VAL A 26 2.316 -1.397 -2.755 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.996 -0.070 -4.025 1.00 8.12 C ATOM 0 H VAL A 26 2.644 1.198 -5.816 1.00 6.52 H new ATOM 0 HA VAL A 26 2.027 -1.490 -5.455 1.00 5.53 H new ATOM 0 HB VAL A 26 2.054 0.683 -3.315 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.857 -1.172 -1.836 1.00 7.25 H new ATOM 0 HG12 VAL A 26 1.260 -1.543 -2.528 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.720 -2.306 -3.201 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.521 0.132 -3.092 1.00 8.12 H new ATOM 0 HG22 VAL A 26 4.382 -0.989 -4.467 1.00 8.12 H new ATOM 0 HG23 VAL A 26 4.152 0.758 -4.716 1.00 8.12 H new ATOM 417 N LYS A 27 -0.581 0.406 -4.896 1.00 2.64 N ATOM 418 CA LYS A 27 -2.041 0.420 -4.890 1.00 4.14 C ATOM 419 C LYS A 27 -2.708 -0.274 -6.034 1.00 5.58 C ATOM 420 O LYS A 27 -3.734 -0.940 -5.856 1.00 4.11 O ATOM 421 CB LYS A 27 -2.674 1.787 -4.577 1.00 3.97 C ATOM 422 CG LYS A 27 -2.263 2.348 -3.180 1.00 7.45 C ATOM 423 CD LYS A 27 -3.025 3.684 -2.838 1.00 9.02 C ATOM 424 CE LYS A 27 -2.842 4.736 -3.902 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.526 6.003 -3.711 1.00 15.47 N ATOM 0 H LYS A 27 -0.175 1.340 -4.946 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.258 -0.211 -4.028 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.383 2.500 -5.348 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -3.759 1.696 -4.620 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.474 1.603 -2.413 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.188 2.528 -3.163 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.088 3.473 -2.718 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -2.667 4.070 -1.884 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -1.775 4.939 -3.995 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.171 4.315 -4.852 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.712 6.440 -4.636 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.427 5.840 -3.217 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -2.929 6.637 -3.142 1.00 15.47 H new ATOM 439 N ALA A 28 -2.089 -0.286 -7.220 1.00 6.61 N ATOM 440 CA ALA A 28 -2.724 -1.074 -8.301 1.00 7.74 C ATOM 441 C ALA A 28 -2.378 -2.570 -8.256 1.00 9.17 C ATOM 442 O ALA A 28 -3.093 -3.425 -8.833 1.00 11.45 O ATOM 443 CB ALA A 28 -2.344 -0.525 -9.696 1.00 7.68 C ATOM 0 H ALA A 28 -1.221 0.195 -7.454 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.796 -0.971 -8.131 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.826 -1.126 -10.467 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.675 0.510 -9.782 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.262 -0.572 -9.823 1.00 7.68 H new ATOM 449 N LYS A 29 -1.346 -3.009 -7.501 1.00 8.96 N ATOM 450 CA LYS A 29 -1.156 -4.405 -7.160 1.00 7.90 C ATOM 451 C LYS A 29 -2.161 -4.928 -6.048 1.00 6.92 C ATOM 452 O LYS A 29 -2.554 -6.076 -6.094 1.00 6.87 O ATOM 453 CB LYS A 29 0.317 -4.606 -6.678 1.00 10.28 C ATOM 454 CG LYS A 29 1.286 -5.222 -7.717 1.00 14.94 C ATOM 455 CD LYS A 29 2.717 -4.841 -7.505 1.00 19.69 C ATOM 456 CE LYS A 29 3.657 -5.000 -8.751 1.00 22.63 C ATOM 457 NZ LYS A 29 3.954 -6.460 -9.011 1.00 24.98 N ATOM 0 H LYS A 29 -0.630 -2.391 -7.119 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.363 -4.990 -8.056 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.713 -3.639 -6.368 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.307 -5.245 -5.795 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.199 -6.308 -7.682 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.980 -4.910 -8.716 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.752 -3.802 -7.177 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.118 -5.446 -6.691 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.185 -4.558 -9.628 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.588 -4.458 -8.583 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.144 -6.601 -10.024 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.787 -6.748 -8.459 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.136 -7.036 -8.729 1.00 24.98 H new ATOM 471 N ILE A 30 -2.693 -4.011 -5.200 1.00 4.57 N ATOM 472 CA ILE A 30 -3.779 -4.266 -4.291 1.00 5.58 C ATOM 473 C ILE A 30 -5.162 -4.255 -4.987 1.00 7.26 C ATOM 474 O ILE A 30 -6.099 -4.992 -4.647 1.00 9.46 O ATOM 475 CB ILE A 30 -3.704 -3.313 -3.122 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.367 -3.614 -2.378 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.807 -3.386 -2.138 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.017 -2.670 -1.287 1.00 2.00 C ATOM 0 H ILE A 30 -2.349 -3.052 -5.148 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.668 -5.281 -3.909 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.776 -2.311 -3.544 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.422 -4.620 -1.961 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.557 -3.615 -3.108 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.639 -2.654 -1.348 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.753 -3.172 -2.635 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.843 -4.386 -1.705 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.071 -2.970 -0.836 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -1.923 -1.663 -1.693 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.800 -2.683 -0.529 1.00 2.00 H new ATOM 490 N GLN A 31 -5.336 -3.413 -6.043 1.00 7.06 N ATOM 491 CA GLN A 31 -6.499 -3.512 -6.985 1.00 8.67 C ATOM 492 C GLN A 31 -6.607 -4.862 -7.633 1.00 10.90 C ATOM 493 O GLN A 31 -7.665 -5.490 -7.638 1.00 9.63 O ATOM 494 CB GLN A 31 -6.418 -2.379 -7.991 1.00 9.12 C ATOM 495 CG GLN A 31 -7.518 -2.335 -9.065 1.00 10.76 C ATOM 496 CD GLN A 31 -7.537 -1.069 -9.969 1.00 13.78 C ATOM 497 OE1 GLN A 31 -8.540 -0.385 -10.064 1.00 14.48 O ATOM 498 NE2 GLN A 31 -6.439 -0.823 -10.671 1.00 14.76 N ATOM 0 H GLN A 31 -4.689 -2.657 -6.267 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.422 -3.406 -6.416 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.437 -1.436 -7.445 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.453 -2.437 -8.494 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.410 -3.212 -9.704 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.485 -2.418 -8.570 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -5.619 -1.420 -10.562 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -6.414 -0.036 -11.320 1.00 14.76 H new ATOM 507 N ASP A 32 -5.456 -5.327 -8.182 1.00 10.93 N ATOM 508 CA ASP A 32 -5.368 -6.617 -8.822 1.00 14.01 C ATOM 509 C ASP A 32 -5.721 -7.792 -7.852 1.00 14.04 C ATOM 510 O ASP A 32 -6.509 -8.674 -8.186 1.00 13.39 O ATOM 511 CB ASP A 32 -4.011 -6.843 -9.443 1.00 18.01 C ATOM 512 CG ASP A 32 -3.999 -8.060 -10.400 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.987 -8.249 -11.129 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.980 -8.828 -10.426 1.00 25.17 O ATOM 0 H ASP A 32 -4.580 -4.804 -8.181 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.114 -6.609 -9.617 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.711 -5.950 -9.991 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.274 -6.996 -8.655 1.00 18.01 H new ATOM 519 N LYS A 33 -5.249 -7.727 -6.592 1.00 14.22 N ATOM 520 CA LYS A 33 -5.638 -8.631 -5.525 1.00 14.00 C ATOM 521 C LYS A 33 -7.086 -8.523 -5.041 1.00 12.37 C ATOM 522 O LYS A 33 -7.706 -9.543 -4.768 1.00 12.17 O ATOM 523 CB LYS A 33 -4.721 -8.433 -4.311 1.00 18.62 C ATOM 524 CG LYS A 33 -3.296 -8.881 -4.463 1.00 24.00 C ATOM 525 CD LYS A 33 -3.109 -10.444 -4.440 1.00 27.61 C ATOM 526 CE LYS A 33 -1.628 -10.896 -4.455 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.477 -12.310 -4.893 1.00 30.06 N ATOM 0 H LYS A 33 -4.572 -7.024 -6.295 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.541 -9.620 -5.973 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.719 -7.374 -4.055 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -5.157 -8.965 -3.465 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.902 -8.492 -5.402 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.701 -8.443 -3.662 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -3.593 -10.845 -3.550 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.619 -10.874 -5.302 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.059 -10.248 -5.122 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -1.204 -10.779 -3.458 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.470 -12.569 -4.888 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.998 -12.932 -4.243 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.857 -12.418 -5.855 1.00 30.06 H new ATOM 541 N GLU A 34 -7.593 -7.325 -4.762 1.00 10.11 N ATOM 542 CA GLU A 34 -8.716 -7.265 -3.827 1.00 10.07 C ATOM 543 C GLU A 34 -9.735 -6.298 -4.363 1.00 9.32 C ATOM 544 O GLU A 34 -10.666 -5.922 -3.676 1.00 11.61 O ATOM 545 CB GLU A 34 -8.253 -6.554 -2.468 1.00 14.77 C ATOM 546 CG GLU A 34 -7.390 -7.400 -1.520 1.00 18.75 C ATOM 547 CD GLU A 34 -8.088 -8.508 -0.822 1.00 22.28 C ATOM 548 OE1 GLU A 34 -9.050 -8.285 -0.062 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.643 -9.680 -1.084 1.00 25.19 O ATOM 0 H GLU A 34 -7.271 -6.434 -5.141 1.00 10.11 H new ATOM 0 HA GLU A 34 -9.084 -8.281 -3.684 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.697 -5.653 -2.725 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.144 -6.235 -1.927 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.563 -7.821 -2.091 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.956 -6.740 -0.769 1.00 18.75 H new ATOM 556 N GLY A 35 -9.613 -5.886 -5.663 1.00 7.22 N ATOM 557 CA GLY A 35 -10.733 -5.175 -6.353 1.00 6.29 C ATOM 558 C GLY A 35 -10.919 -3.753 -5.977 1.00 6.93 C ATOM 559 O GLY A 35 -11.950 -3.177 -6.321 1.00 7.41 O ATOM 0 H GLY A 35 -8.781 -6.028 -6.235 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.565 -5.229 -7.429 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.660 -5.710 -6.148 1.00 6.29 H new ATOM 563 N ILE A 36 -9.969 -3.082 -5.231 1.00 5.86 N ATOM 564 CA ILE A 36 -10.256 -1.809 -4.558 1.00 6.07 C ATOM 565 C ILE A 36 -9.700 -0.760 -5.526 1.00 6.36 C ATOM 566 O ILE A 36 -8.528 -0.853 -5.874 1.00 6.18 O ATOM 567 CB ILE A 36 -9.581 -1.654 -3.190 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.752 -2.887 -2.287 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.101 -0.442 -2.425 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.782 -2.993 -1.097 1.00 9.49 C ATOM 0 H ILE A 36 -9.015 -3.418 -5.097 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.322 -1.722 -4.347 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.524 -1.526 -3.423 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.771 -2.891 -1.901 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.641 -3.781 -2.901 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.594 -0.374 -1.463 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.908 0.463 -3.002 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.174 -0.547 -2.263 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.996 -3.900 -0.532 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.757 -3.029 -1.465 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.905 -2.125 -0.449 1.00 9.49 H new ATOM 582 N PRO A 37 -10.453 0.249 -6.037 1.00 8.65 N ATOM 583 CA PRO A 37 -9.892 1.382 -6.770 1.00 9.18 C ATOM 584 C PRO A 37 -8.813 2.063 -5.923 1.00 9.85 C ATOM 585 O PRO A 37 -9.125 2.218 -4.740 1.00 8.51 O ATOM 586 CB PRO A 37 -11.100 2.266 -7.086 1.00 11.42 C ATOM 587 CG PRO A 37 -12.237 1.205 -7.303 1.00 9.27 C ATOM 588 CD PRO A 37 -11.948 0.225 -6.173 1.00 8.33 C ATOM 0 HA PRO A 37 -9.381 1.113 -7.694 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.330 2.949 -6.268 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -10.937 2.876 -7.974 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.231 1.645 -7.222 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.177 0.732 -8.283 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.437 0.529 -5.247 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.310 -0.775 -6.411 1.00 8.33 H new ATOM 596 N PRO A 38 -7.693 2.437 -6.409 1.00 8.71 N ATOM 597 CA PRO A 38 -6.567 2.972 -5.667 1.00 9.08 C ATOM 598 C PRO A 38 -6.844 4.080 -4.743 1.00 9.28 C ATOM 599 O PRO A 38 -6.178 4.168 -3.715 1.00 6.50 O ATOM 600 CB PRO A 38 -5.609 3.391 -6.762 1.00 10.31 C ATOM 601 CG PRO A 38 -5.778 2.253 -7.775 1.00 10.81 C ATOM 602 CD PRO A 38 -7.281 2.186 -7.807 1.00 12.00 C ATOM 0 HA PRO A 38 -6.189 2.218 -4.977 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.872 4.360 -7.187 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.583 3.469 -6.401 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.346 2.488 -8.748 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.322 1.321 -7.441 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.697 2.932 -8.483 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.628 1.213 -8.154 1.00 12.00 H new ATOM 610 N ASP A 39 -7.785 4.944 -5.075 1.00 11.20 N ATOM 611 CA ASP A 39 -8.228 6.042 -4.268 1.00 14.96 C ATOM 612 C ASP A 39 -9.317 5.733 -3.269 1.00 13.99 C ATOM 613 O ASP A 39 -9.822 6.645 -2.577 1.00 13.75 O ATOM 614 CB ASP A 39 -8.732 7.244 -5.174 1.00 24.16 C ATOM 615 CG ASP A 39 -7.559 7.771 -5.932 1.00 31.06 C ATOM 616 OD1 ASP A 39 -7.093 7.138 -6.885 1.00 34.22 O ATOM 617 OD2 ASP A 39 -7.090 8.875 -5.591 1.00 35.55 O ATOM 0 H ASP A 39 -8.281 4.887 -5.964 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.339 6.302 -3.693 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -9.508 6.905 -5.860 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -9.171 8.028 -4.557 1.00 24.16 H new ATOM 622 N GLN A 40 -9.743 4.431 -3.231 1.00 11.60 N ATOM 623 CA GLN A 40 -10.653 3.897 -2.186 1.00 10.76 C ATOM 624 C GLN A 40 -9.751 3.139 -1.226 1.00 8.01 C ATOM 625 O GLN A 40 -10.233 2.781 -0.162 1.00 8.96 O ATOM 626 CB GLN A 40 -11.775 3.029 -2.730 1.00 11.14 C ATOM 627 CG GLN A 40 -12.939 2.991 -1.795 1.00 14.85 C ATOM 628 CD GLN A 40 -14.045 1.929 -2.190 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.861 1.100 -3.036 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.114 2.025 -1.390 1.00 18.16 N ATOM 0 H GLN A 40 -9.463 3.735 -3.922 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.188 4.709 -1.694 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.097 3.413 -3.698 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.406 2.017 -2.895 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.579 2.769 -0.791 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.396 3.980 -1.759 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.169 2.774 -0.700 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.874 1.349 -1.470 1.00 18.16 H new ATOM 639 N GLN A 41 -8.450 2.968 -1.535 1.00 6.52 N ATOM 640 CA GLN A 41 -7.506 2.476 -0.532 1.00 3.87 C ATOM 641 C GLN A 41 -6.885 3.552 0.332 1.00 4.79 C ATOM 642 O GLN A 41 -6.726 4.642 -0.101 1.00 6.34 O ATOM 643 CB GLN A 41 -6.303 1.717 -1.151 1.00 4.20 C ATOM 644 CG GLN A 41 -6.754 0.549 -2.004 1.00 3.20 C ATOM 645 CD GLN A 41 -5.685 -0.034 -2.921 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.486 -0.097 -2.597 1.00 5.21 O ATOM 647 NE2 GLN A 41 -5.998 -0.474 -4.153 1.00 7.13 N ATOM 0 H GLN A 41 -8.043 3.160 -2.451 1.00 6.52 H new ATOM 0 HA GLN A 41 -8.138 1.823 0.069 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.713 2.404 -1.758 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.652 1.356 -0.355 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.117 -0.241 -1.347 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.598 0.870 -2.614 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -6.966 -0.447 -4.474 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.267 -0.835 -4.767 1.00 7.13 H new ATOM 656 N ARG A 42 -6.526 3.154 1.564 1.00 5.73 N ATOM 657 CA ARG A 42 -5.730 3.870 2.460 1.00 6.97 C ATOM 658 C ARG A 42 -4.590 2.896 2.730 1.00 7.15 C ATOM 659 O ARG A 42 -4.825 1.826 3.276 1.00 7.33 O ATOM 660 CB ARG A 42 -6.518 4.285 3.750 1.00 13.23 C ATOM 661 CG ARG A 42 -7.451 5.450 3.525 1.00 21.27 C ATOM 662 CD ARG A 42 -8.144 5.905 4.767 1.00 26.14 C ATOM 663 NE ARG A 42 -8.714 7.263 4.412 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.665 7.946 5.046 1.00 34.32 C ATOM 665 NH1 ARG A 42 -10.300 7.393 6.081 1.00 35.30 N ATOM 666 NH2 ARG A 42 -10.054 9.161 4.778 1.00 36.39 N ATOM 0 H ARG A 42 -6.827 2.257 1.945 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.380 4.827 2.073 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -7.093 3.431 4.108 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.807 4.543 4.535 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.885 6.283 3.108 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -8.199 5.169 2.783 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.930 5.209 5.059 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -7.451 5.973 5.605 1.00 26.14 H new ATOM 0 HE ARG A 42 -8.320 7.710 3.584 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -10.056 6.450 6.384 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -11.029 7.913 6.569 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -9.617 9.680 4.017 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.796 9.592 5.330 1.00 36.39 H new ATOM 680 N LEU A 43 -3.398 3.216 2.314 1.00 4.65 N ATOM 681 CA LEU A 43 -2.260 2.406 2.442 1.00 3.51 C ATOM 682 C LEU A 43 -1.341 3.133 3.428 1.00 5.56 C ATOM 683 O LEU A 43 -0.901 4.272 3.189 1.00 4.19 O ATOM 684 CB LEU A 43 -1.442 2.194 1.139 1.00 3.74 C ATOM 685 CG LEU A 43 -0.485 1.006 1.091 1.00 6.32 C ATOM 686 CD1 LEU A 43 -1.128 -0.360 1.327 1.00 9.55 C ATOM 687 CD2 LEU A 43 0.361 0.989 -0.179 1.00 6.41 C ATOM 0 H LEU A 43 -3.202 4.104 1.852 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.601 1.418 2.751 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -2.146 2.092 0.313 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.863 3.099 0.954 1.00 3.74 H new ATOM 0 HG LEU A 43 0.169 1.174 1.947 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.364 -1.136 1.272 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -1.594 -0.378 2.312 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -1.885 -0.542 0.565 1.00 9.55 H new ATOM 0 HD21 LEU A 43 1.024 0.124 -0.163 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.292 0.930 -1.050 1.00 6.41 H new ATOM 0 HD23 LEU A 43 0.955 1.901 -0.232 1.00 6.41 H new ATOM 699 N ILE A 44 -1.047 2.478 4.535 1.00 4.58 N ATOM 700 CA ILE A 44 -0.423 3.011 5.740 1.00 5.55 C ATOM 701 C ILE A 44 0.885 2.311 6.071 1.00 5.46 C ATOM 702 O ILE A 44 1.006 1.110 5.980 1.00 6.04 O ATOM 703 CB ILE A 44 -1.348 2.934 6.979 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.629 3.751 6.809 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.632 3.317 8.304 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.462 3.950 8.108 1.00 13.90 C ATOM 0 H ILE A 44 -1.252 1.483 4.626 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.226 4.058 5.511 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.627 1.883 7.054 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.366 4.731 6.411 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.257 3.262 6.064 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.336 3.242 9.133 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.204 2.638 8.475 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.261 4.339 8.235 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.350 4.541 7.884 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.763 2.978 8.500 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.858 4.470 8.852 1.00 13.90 H new ATOM 718 N PHE A 45 1.923 3.122 6.453 1.00 6.75 N ATOM 719 CA PHE A 45 3.145 2.528 7.033 1.00 4.70 C ATOM 720 C PHE A 45 3.818 3.704 7.807 1.00 6.34 C ATOM 721 O PHE A 45 3.733 4.850 7.438 1.00 5.45 O ATOM 722 CB PHE A 45 4.100 1.884 5.947 1.00 5.51 C ATOM 723 CG PHE A 45 5.292 1.222 6.565 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.134 0.097 7.362 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.607 1.847 6.528 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.245 -0.460 8.044 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.695 1.321 7.171 1.00 6.64 C ATOM 728 CZ PHE A 45 7.486 0.147 7.953 1.00 6.84 C ATOM 0 H PHE A 45 1.930 4.139 6.370 1.00 6.75 H new ATOM 0 HA PHE A 45 2.912 1.688 7.687 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.542 1.152 5.363 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.434 2.657 5.255 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.159 -0.357 7.463 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.729 2.764 5.970 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.123 -1.357 8.634 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.671 1.776 7.089 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.320 -0.281 8.490 1.00 6.84 H new ATOM 738 N ALA A 46 4.537 3.397 8.953 1.00 6.53 N ATOM 739 CA ALA A 46 5.281 4.259 9.758 1.00 7.15 C ATOM 740 C ALA A 46 4.471 5.232 10.568 1.00 9.00 C ATOM 741 O ALA A 46 4.843 6.319 10.969 1.00 11.15 O ATOM 742 CB ALA A 46 6.354 5.019 9.022 1.00 8.99 C ATOM 0 H ALA A 46 4.568 2.441 9.306 1.00 6.53 H new ATOM 0 HA ALA A 46 5.753 3.560 10.448 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.885 5.666 9.720 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.055 4.316 8.573 1.00 8.99 H new ATOM 0 HB3 ALA A 46 5.898 5.626 8.240 1.00 8.99 H new ATOM 748 N GLY A 47 3.276 4.753 10.962 1.00 9.35 N ATOM 749 CA GLY A 47 2.179 5.431 11.632 1.00 11.68 C ATOM 750 C GLY A 47 1.345 6.379 10.797 1.00 11.14 C ATOM 751 O GLY A 47 0.440 6.983 11.283 1.00 13.93 O ATOM 0 H GLY A 47 3.043 3.774 10.795 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.516 4.673 12.048 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.589 5.991 12.472 1.00 11.68 H new ATOM 755 N LYS A 48 1.519 6.390 9.451 1.00 10.47 N ATOM 756 CA LYS A 48 0.833 7.390 8.672 1.00 8.82 C ATOM 757 C LYS A 48 0.500 6.802 7.308 1.00 7.68 C ATOM 758 O LYS A 48 1.093 5.884 6.704 1.00 6.47 O ATOM 759 CB LYS A 48 1.726 8.598 8.534 1.00 9.74 C ATOM 760 CG LYS A 48 3.029 8.341 7.808 1.00 14.14 C ATOM 761 CD LYS A 48 3.578 9.675 7.446 1.00 16.32 C ATOM 762 CE LYS A 48 4.774 9.545 6.497 1.00 20.04 C ATOM 763 NZ LYS A 48 5.925 8.965 7.217 1.00 23.92 N ATOM 0 H LYS A 48 2.104 5.741 8.925 1.00 10.47 H new ATOM 0 HA LYS A 48 -0.093 7.695 9.160 1.00 8.82 H new ATOM 0 HB2 LYS A 48 1.179 9.379 8.005 1.00 9.74 H new ATOM 0 HB3 LYS A 48 1.950 8.983 9.529 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.726 7.793 8.443 1.00 14.14 H new ATOM 0 HG3 LYS A 48 2.864 7.734 6.918 1.00 14.14 H new ATOM 0 HD2 LYS A 48 2.800 10.275 6.974 1.00 16.32 H new ATOM 0 HD3 LYS A 48 3.883 10.203 8.350 1.00 16.32 H new ATOM 0 HE2 LYS A 48 4.509 8.914 5.648 1.00 20.04 H new ATOM 0 HE3 LYS A 48 5.040 10.523 6.096 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 6.743 8.911 6.577 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 6.162 9.565 8.033 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 5.681 8.010 7.549 1.00 23.92 H new ATOM 777 N GLN A 49 -0.503 7.472 6.665 1.00 8.89 N ATOM 778 CA GLN A 49 -0.878 7.251 5.232 1.00 7.18 C ATOM 779 C GLN A 49 0.338 7.646 4.356 1.00 8.23 C ATOM 780 O GLN A 49 1.144 8.534 4.703 1.00 9.70 O ATOM 781 CB GLN A 49 -2.073 8.237 4.896 1.00 11.67 C ATOM 782 CG GLN A 49 -3.435 7.707 5.398 1.00 15.82 C ATOM 783 CD GLN A 49 -4.554 8.720 5.191 1.00 20.21 C ATOM 784 OE1 GLN A 49 -5.058 9.347 6.080 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.987 8.759 3.899 1.00 20.67 N ATOM 0 H GLN A 49 -1.074 8.181 7.125 1.00 8.89 H new ATOM 0 HA GLN A 49 -1.162 6.215 5.050 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.876 9.209 5.348 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -2.121 8.391 3.818 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -3.680 6.784 4.873 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -3.360 7.461 6.457 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -4.516 8.202 3.186 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.782 9.345 3.645 1.00 20.67 H new ATOM 794 N LEU A 50 0.474 6.939 3.161 1.00 6.51 N ATOM 795 CA LEU A 50 1.577 7.108 2.266 1.00 7.41 C ATOM 796 C LEU A 50 1.068 7.927 1.113 1.00 8.27 C ATOM 797 O LEU A 50 -0.087 7.807 0.688 1.00 8.34 O ATOM 798 CB LEU A 50 2.165 5.786 1.799 1.00 7.13 C ATOM 799 CG LEU A 50 2.672 4.901 2.919 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.282 3.614 2.284 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.707 5.659 3.765 1.00 9.11 C ATOM 0 H LEU A 50 -0.207 6.250 2.842 1.00 6.51 H new ATOM 0 HA LEU A 50 2.399 7.611 2.776 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.406 5.242 1.237 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.986 5.989 1.112 1.00 7.13 H new ATOM 0 HG LEU A 50 1.856 4.619 3.585 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.654 2.960 3.073 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.515 3.092 1.712 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.104 3.889 1.623 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.065 5.013 4.567 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.546 5.954 3.135 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.245 6.548 4.194 1.00 9.11 H new ATOM 813 N GLU A 51 1.972 8.746 0.548 1.00 9.43 N ATOM 814 CA GLU A 51 1.708 9.624 -0.555 1.00 11.90 C ATOM 815 C GLU A 51 1.852 8.984 -1.888 1.00 11.49 C ATOM 816 O GLU A 51 2.849 8.349 -2.116 1.00 9.88 O ATOM 817 CB GLU A 51 2.529 10.935 -0.487 1.00 16.56 C ATOM 818 CG GLU A 51 2.088 12.013 0.615 1.00 26.06 C ATOM 819 CD GLU A 51 3.172 13.009 0.750 1.00 29.86 C ATOM 820 OE1 GLU A 51 3.533 13.738 -0.198 1.00 33.44 O ATOM 821 OE2 GLU A 51 3.736 13.101 1.911 1.00 32.13 O ATOM 0 H GLU A 51 2.937 8.800 0.875 1.00 9.43 H new ATOM 0 HA GLU A 51 0.654 9.879 -0.445 1.00 11.90 H new ATOM 0 HB2 GLU A 51 3.572 10.673 -0.307 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.485 11.413 -1.465 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.159 12.501 0.319 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.901 11.524 1.571 1.00 26.06 H new ATOM 828 N ASP A 52 0.805 8.985 -2.790 1.00 12.71 N ATOM 829 CA ASP A 52 0.643 8.202 -3.987 1.00 16.56 C ATOM 830 C ASP A 52 1.855 8.294 -4.949 1.00 15.83 C ATOM 831 O ASP A 52 2.380 7.237 -5.338 1.00 17.21 O ATOM 832 CB ASP A 52 -0.560 8.714 -4.783 1.00 21.05 C ATOM 833 CG ASP A 52 -1.840 8.734 -4.024 1.00 25.12 C ATOM 834 OD1 ASP A 52 -1.885 8.027 -3.000 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.834 9.438 -4.492 1.00 28.37 O ATOM 0 H ASP A 52 0.005 9.602 -2.647 1.00 12.71 H new ATOM 0 HA ASP A 52 0.524 7.173 -3.648 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.345 9.723 -5.134 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.687 8.090 -5.667 1.00 21.05 H new ATOM 840 N GLY A 53 2.495 9.495 -5.192 1.00 15.00 N ATOM 841 CA GLY A 53 3.584 9.727 -6.115 1.00 11.77 C ATOM 842 C GLY A 53 4.981 9.301 -5.626 1.00 11.10 C ATOM 843 O GLY A 53 5.896 9.361 -6.446 1.00 11.25 O ATOM 0 H GLY A 53 2.222 10.348 -4.704 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.368 9.197 -7.043 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.612 10.790 -6.354 1.00 11.77 H new ATOM 847 N ARG A 54 5.084 8.974 -4.326 1.00 8.53 N ATOM 848 CA ARG A 54 6.340 8.870 -3.570 1.00 9.05 C ATOM 849 C ARG A 54 6.898 7.463 -3.695 1.00 8.96 C ATOM 850 O ARG A 54 6.189 6.467 -3.581 1.00 11.60 O ATOM 851 CB ARG A 54 6.204 9.174 -2.102 1.00 7.97 C ATOM 852 CG ARG A 54 7.484 9.332 -1.297 1.00 9.62 C ATOM 853 CD ARG A 54 8.506 10.379 -1.773 1.00 12.20 C ATOM 854 NE ARG A 54 7.904 11.732 -1.485 1.00 18.23 N ATOM 855 CZ ARG A 54 8.532 12.914 -1.244 1.00 22.08 C ATOM 856 NH1 ARG A 54 9.837 12.923 -0.917 1.00 25.50 N ATOM 857 NH2 ARG A 54 7.789 13.994 -1.333 1.00 23.38 N ATOM 0 H ARG A 54 4.265 8.768 -3.754 1.00 8.53 H new ATOM 0 HA ARG A 54 7.002 9.619 -4.004 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.627 10.093 -2.001 1.00 7.97 H new ATOM 0 HB3 ARG A 54 5.616 8.377 -1.646 1.00 7.97 H new ATOM 0 HG2 ARG A 54 7.207 9.577 -0.272 1.00 9.62 H new ATOM 0 HG3 ARG A 54 7.984 8.364 -1.270 1.00 9.62 H new ATOM 0 HD2 ARG A 54 9.455 10.259 -1.251 1.00 12.20 H new ATOM 0 HD3 ARG A 54 8.710 10.265 -2.838 1.00 12.20 H new ATOM 0 HE ARG A 54 6.885 11.765 -1.469 1.00 18.23 H new ATOM 0 HH11 ARG A 54 10.352 12.045 -0.851 1.00 25.50 H new ATOM 0 HH12 ARG A 54 10.311 13.808 -0.736 1.00 25.50 H new ATOM 0 HH21 ARG A 54 6.800 13.915 -1.571 1.00 23.38 H new ATOM 0 HH22 ARG A 54 8.201 14.912 -1.164 1.00 23.38 H new ATOM 871 N THR A 55 8.167 7.361 -4.086 1.00 9.05 N ATOM 872 CA THR A 55 8.842 6.095 -4.402 1.00 9.03 C ATOM 873 C THR A 55 9.237 5.367 -3.120 1.00 8.15 C ATOM 874 O THR A 55 9.641 6.023 -2.107 1.00 5.91 O ATOM 875 CB THR A 55 10.055 6.117 -5.346 1.00 11.15 C ATOM 876 OG1 THR A 55 10.966 7.057 -4.893 1.00 11.95 O ATOM 877 CG2 THR A 55 9.549 6.678 -6.707 1.00 11.71 C ATOM 0 H THR A 55 8.773 8.174 -4.196 1.00 9.05 H new ATOM 0 HA THR A 55 8.075 5.575 -4.976 1.00 9.03 H new ATOM 0 HB THR A 55 10.498 5.123 -5.411 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.743 7.074 -5.490 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.376 6.714 -7.416 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.764 6.031 -7.098 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.152 7.683 -6.561 1.00 11.71 H new ATOM 885 N LEU A 56 9.148 4.037 -3.062 1.00 6.91 N ATOM 886 CA LEU A 56 9.442 3.166 -1.929 1.00 8.29 C ATOM 887 C LEU A 56 10.768 3.497 -1.284 1.00 8.05 C ATOM 888 O LEU A 56 10.806 3.737 -0.094 1.00 10.17 O ATOM 889 CB LEU A 56 9.359 1.663 -2.274 1.00 6.60 C ATOM 890 CG LEU A 56 7.905 1.259 -2.589 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.949 -0.122 -3.244 1.00 9.85 C ATOM 892 CD2 LEU A 56 7.127 1.123 -1.254 1.00 8.64 C ATOM 0 H LEU A 56 8.843 3.500 -3.874 1.00 6.91 H new ATOM 0 HA LEU A 56 8.654 3.365 -1.203 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.997 1.445 -3.131 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.734 1.071 -1.439 1.00 6.60 H new ATOM 0 HG LEU A 56 7.428 1.997 -3.234 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.935 -0.444 -3.483 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.539 -0.072 -4.159 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.404 -0.836 -2.558 1.00 9.85 H new ATOM 0 HD21 LEU A 56 6.096 0.837 -1.461 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.598 0.359 -0.635 1.00 8.64 H new ATOM 0 HD23 LEU A 56 7.140 2.077 -0.726 1.00 8.64 H new ATOM 904 N SER A 57 11.829 3.694 -2.047 1.00 8.92 N ATOM 905 CA SER A 57 13.126 4.076 -1.525 1.00 9.00 C ATOM 906 C SER A 57 13.147 5.397 -0.803 1.00 9.44 C ATOM 907 O SER A 57 13.800 5.521 0.234 1.00 10.91 O ATOM 908 CB SER A 57 14.185 3.945 -2.688 1.00 10.32 C ATOM 909 OG SER A 57 14.154 5.034 -3.563 1.00 13.59 O ATOM 0 H SER A 57 11.812 3.591 -3.062 1.00 8.92 H new ATOM 0 HA SER A 57 13.398 3.388 -0.725 1.00 9.00 H new ATOM 0 HB2 SER A 57 15.183 3.856 -2.259 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.995 3.028 -3.247 1.00 10.32 H new ATOM 0 HG SER A 57 14.827 4.909 -4.264 1.00 13.59 H new ATOM 915 N ASP A 58 12.551 6.432 -1.365 1.00 9.11 N ATOM 916 CA ASP A 58 12.463 7.720 -0.709 1.00 7.91 C ATOM 917 C ASP A 58 11.638 7.744 0.622 1.00 9.12 C ATOM 918 O ASP A 58 11.822 8.576 1.541 1.00 8.61 O ATOM 919 CB ASP A 58 11.917 8.777 -1.759 1.00 8.41 C ATOM 920 CG ASP A 58 12.221 10.216 -1.305 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.539 10.720 -0.380 1.00 10.05 O ATOM 922 OD2 ASP A 58 13.211 10.820 -1.832 1.00 11.70 O ATOM 0 H ASP A 58 12.116 6.402 -2.287 1.00 9.11 H new ATOM 0 HA ASP A 58 13.470 7.978 -0.380 1.00 7.91 H new ATOM 0 HB2 ASP A 58 12.372 8.596 -2.733 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.841 8.650 -1.881 1.00 8.41 H new ATOM 927 N TYR A 59 10.783 6.717 0.769 1.00 7.97 N ATOM 928 CA TYR A 59 9.996 6.421 1.980 1.00 8.45 C ATOM 929 C TYR A 59 10.728 5.429 2.870 1.00 10.98 C ATOM 930 O TYR A 59 10.226 5.142 3.989 1.00 12.95 O ATOM 931 CB TYR A 59 8.551 5.859 1.617 1.00 7.94 C ATOM 932 CG TYR A 59 7.444 6.848 1.864 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.264 7.611 3.048 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.423 6.982 0.900 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.161 8.500 3.171 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.278 7.759 1.082 1.00 6.52 C ATOM 937 CZ TYR A 59 5.159 8.579 2.162 1.00 6.76 C ATOM 938 OH TYR A 59 4.077 9.446 2.241 1.00 7.63 O ATOM 0 H TYR A 59 10.614 6.045 0.020 1.00 7.97 H new ATOM 0 HA TYR A 59 9.870 7.359 2.521 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.537 5.565 0.568 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.362 4.960 2.203 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.969 7.516 3.860 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.534 6.452 -0.034 1.00 6.98 H new ATOM 0 HE1 TYR A 59 6.082 9.127 4.046 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.478 7.709 0.358 1.00 6.52 H new ATOM 0 HH TYR A 59 4.251 10.238 1.690 1.00 7.63 H new ATOM 948 N ASN A 60 11.901 4.899 2.518 1.00 12.38 N ATOM 949 CA ASN A 60 12.717 4.006 3.313 1.00 13.94 C ATOM 950 C ASN A 60 12.092 2.667 3.484 1.00 14.16 C ATOM 951 O ASN A 60 12.403 1.942 4.444 1.00 14.26 O ATOM 952 CB ASN A 60 13.145 4.615 4.702 1.00 19.23 C ATOM 953 CG ASN A 60 13.723 6.019 4.613 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.103 6.931 5.235 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.754 6.208 3.775 1.00 24.09 N ATOM 0 H ASN A 60 12.325 5.100 1.612 1.00 12.38 H new ATOM 0 HA ASN A 60 13.633 3.873 2.738 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.278 4.632 5.362 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.883 3.958 5.163 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.099 7.151 3.596 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.192 5.409 3.317 1.00 24.09 H new ATOM 962 N ILE A 61 11.179 2.120 2.570 1.00 11.08 N ATOM 963 CA ILE A 61 10.604 0.804 2.689 1.00 11.78 C ATOM 964 C ILE A 61 11.405 -0.295 2.057 1.00 13.74 C ATOM 965 O ILE A 61 11.767 -0.220 0.880 1.00 14.60 O ATOM 966 CB ILE A 61 9.162 0.814 2.179 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.320 1.743 3.147 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.610 -0.592 2.273 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.024 2.284 2.493 1.00 11.42 C ATOM 0 H ILE A 61 10.856 2.626 1.746 1.00 11.08 H new ATOM 0 HA ILE A 61 10.616 0.567 3.753 1.00 11.78 H new ATOM 0 HB ILE A 61 9.115 1.171 1.150 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.060 1.182 4.045 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.938 2.583 3.464 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.581 -0.604 1.913 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.216 -1.262 1.663 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.635 -0.924 3.311 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.492 2.913 3.206 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.279 2.871 1.611 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.388 1.449 2.201 1.00 11.42 H new ATOM 981 N GLN A 62 11.726 -1.294 2.868 1.00 13.97 N ATOM 982 CA GLN A 62 12.655 -2.387 2.574 1.00 15.52 C ATOM 983 C GLN A 62 11.903 -3.680 2.317 1.00 13.94 C ATOM 984 O GLN A 62 10.753 -3.918 2.627 1.00 12.15 O ATOM 985 CB GLN A 62 13.575 -2.709 3.793 1.00 19.53 C ATOM 986 CG GLN A 62 14.208 -1.453 4.437 1.00 26.38 C ATOM 987 CD GLN A 62 15.297 -0.738 3.511 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.759 -1.118 2.439 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.855 0.354 4.143 1.00 32.71 N ATOM 0 H GLN A 62 11.325 -1.372 3.803 1.00 13.97 H new ATOM 0 HA GLN A 62 13.230 -2.055 1.710 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.994 -3.240 4.547 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.370 -3.382 3.471 1.00 19.53 H new ATOM 0 HG2 GLN A 62 13.419 -0.739 4.673 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.675 -1.735 5.381 1.00 26.38 H new ATOM 0 HE21 GLN A 62 15.477 0.676 5.034 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.646 0.839 3.719 1.00 32.71 H new ATOM 998 N LYS A 63 12.709 -4.663 1.829 1.00 11.73 N ATOM 999 CA LYS A 63 12.168 -6.043 1.672 1.00 11.97 C ATOM 1000 C LYS A 63 11.642 -6.722 2.967 1.00 10.41 C ATOM 1001 O LYS A 63 12.250 -6.649 4.013 1.00 9.59 O ATOM 1002 CB LYS A 63 13.320 -6.884 0.998 1.00 13.73 C ATOM 1003 CG LYS A 63 14.548 -6.992 1.894 1.00 16.98 C ATOM 1004 CD LYS A 63 15.748 -7.569 1.178 1.00 20.19 C ATOM 1005 CE LYS A 63 16.968 -7.534 2.025 1.00 23.42 C ATOM 1006 NZ LYS A 63 18.050 -8.228 1.388 1.00 25.97 N ATOM 0 H LYS A 63 13.683 -4.539 1.551 1.00 11.73 H new ATOM 0 HA LYS A 63 11.267 -5.990 1.061 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.951 -7.883 0.766 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.601 -6.421 0.052 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.800 -6.003 2.277 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.310 -7.616 2.755 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.537 -8.598 0.887 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.927 -7.009 0.260 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.255 -6.500 2.215 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.758 -7.989 2.993 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.892 -8.191 1.997 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.781 -9.220 1.229 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 18.263 -7.777 0.475 1.00 25.97 H new ATOM 1020 N GLU A 64 10.520 -7.427 2.739 1.00 10.04 N ATOM 1021 CA GLU A 64 9.871 -8.187 3.789 1.00 10.94 C ATOM 1022 C GLU A 64 9.119 -7.311 4.854 1.00 9.74 C ATOM 1023 O GLU A 64 8.638 -7.811 5.860 1.00 9.42 O ATOM 1024 CB GLU A 64 10.590 -9.428 4.480 1.00 18.31 C ATOM 1025 CG GLU A 64 11.205 -10.426 3.491 1.00 24.16 C ATOM 1026 CD GLU A 64 11.633 -11.727 4.134 1.00 29.00 C ATOM 1027 OE1 GLU A 64 10.757 -12.347 4.789 1.00 31.72 O ATOM 1028 OE2 GLU A 64 12.766 -12.171 4.065 1.00 32.61 O ATOM 0 H GLU A 64 10.054 -7.478 1.833 1.00 10.04 H new ATOM 0 HA GLU A 64 9.163 -8.697 3.136 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.374 -9.058 5.141 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.867 -9.951 5.105 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.481 -10.639 2.705 1.00 24.16 H new ATOM 0 HG3 GLU A 64 12.069 -9.965 3.012 1.00 24.16 H new ATOM 1035 N SER A 65 8.972 -5.998 4.550 1.00 6.85 N ATOM 1036 CA SER A 65 8.265 -5.051 5.308 1.00 6.90 C ATOM 1037 C SER A 65 6.761 -5.346 5.276 1.00 4.72 C ATOM 1038 O SER A 65 6.181 -5.871 4.335 1.00 3.91 O ATOM 1039 CB SER A 65 8.576 -3.572 4.914 1.00 7.28 C ATOM 1040 OG SER A 65 8.299 -2.633 5.992 1.00 10.56 O ATOM 0 H SER A 65 9.385 -5.592 3.710 1.00 6.85 H new ATOM 0 HA SER A 65 8.617 -5.152 6.335 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.624 -3.490 4.626 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.983 -3.301 4.040 1.00 7.28 H new ATOM 0 HG SER A 65 8.511 -1.723 5.696 1.00 10.56 H new ATOM 1046 N THR A 66 6.177 -4.998 6.402 1.00 4.48 N ATOM 1047 CA THR A 66 4.723 -5.027 6.692 1.00 3.80 C ATOM 1048 C THR A 66 3.975 -3.747 6.644 1.00 4.60 C ATOM 1049 O THR A 66 4.064 -2.929 7.546 1.00 5.33 O ATOM 1050 CB THR A 66 4.349 -5.739 8.032 1.00 2.85 C ATOM 1051 OG1 THR A 66 5.243 -6.836 8.136 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.942 -6.348 8.008 1.00 3.40 C ATOM 0 H THR A 66 6.719 -4.665 7.199 1.00 4.48 H new ATOM 0 HA THR A 66 4.399 -5.611 5.831 1.00 3.80 H new ATOM 0 HB THR A 66 4.398 -5.013 8.844 1.00 2.85 H new ATOM 0 HG1 THR A 66 5.062 -7.329 8.964 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.737 -6.829 8.965 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.208 -5.561 7.833 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.879 -7.087 7.209 1.00 3.40 H new ATOM 1060 N LEU A 67 3.224 -3.474 5.538 1.00 4.17 N ATOM 1061 CA LEU A 67 2.366 -2.355 5.401 1.00 3.85 C ATOM 1062 C LEU A 67 0.954 -2.680 5.981 1.00 3.80 C ATOM 1063 O LEU A 67 0.542 -3.791 6.259 1.00 5.54 O ATOM 1064 CB LEU A 67 2.111 -1.884 3.993 1.00 7.18 C ATOM 1065 CG LEU A 67 3.247 -1.605 2.970 1.00 9.67 C ATOM 1066 CD1 LEU A 67 2.641 -1.054 1.621 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.298 -0.557 3.479 1.00 11.66 C ATOM 0 H LEU A 67 3.230 -4.074 4.713 1.00 4.17 H new ATOM 0 HA LEU A 67 2.902 -1.570 5.935 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.458 -2.626 3.533 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.537 -0.961 4.076 1.00 7.18 H new ATOM 0 HG LEU A 67 3.754 -2.559 2.824 1.00 9.67 H new ATOM 0 HD11 LEU A 67 3.446 -0.862 0.912 1.00 8.12 H new ATOM 0 HD12 LEU A 67 1.956 -1.791 1.202 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.101 -0.127 1.816 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.063 -0.409 2.717 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.799 0.391 3.681 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.764 -0.924 4.394 1.00 11.66 H new ATOM 1079 N HIS A 68 0.217 -1.580 6.240 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.117 -1.634 6.768 1.00 4.17 C ATOM 1081 C HIS A 68 -1.984 -1.132 5.615 1.00 5.32 C ATOM 1082 O HIS A 68 -1.727 -0.086 5.071 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.311 -0.615 7.961 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.941 -1.250 9.262 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.387 -1.378 9.740 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.741 -1.805 10.192 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.282 -1.939 10.992 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.957 -2.250 11.310 1.00 16.30 N ATOM 0 H HIS A 68 0.555 -0.631 6.079 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.353 -2.634 7.132 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.696 0.269 7.794 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.348 -0.281 7.995 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -2.814 -1.901 10.109 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.126 -2.106 11.644 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -1.287 -2.706 12.161 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.066 -1.820 5.251 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.081 -1.394 4.250 1.00 3.97 C ATOM 1098 C LEU A 69 -5.317 -1.320 5.049 1.00 5.07 C ATOM 1099 O LEU A 69 -5.641 -2.167 5.926 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.257 -2.449 3.185 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.407 -2.371 2.227 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.364 -1.287 1.062 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.656 -3.821 1.582 1.00 9.96 C ATOM 0 H LEU A 69 -3.281 -2.731 5.655 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.810 -0.467 3.745 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.343 -2.464 2.591 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.324 -3.412 3.692 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.224 -2.021 2.858 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.270 -1.364 0.460 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.300 -0.289 1.496 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.493 -1.465 0.431 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.492 -3.770 0.884 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.759 -4.142 1.052 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.886 -4.536 2.372 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.006 -0.233 4.702 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.389 -0.013 5.173 1.00 6.26 C ATOM 1117 C VAL A 70 -8.170 0.628 4.031 1.00 9.22 C ATOM 1118 O VAL A 70 -7.598 0.999 3.006 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.465 0.842 6.462 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -7.709 -0.155 7.596 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.232 1.730 6.727 1.00 8.54 C ATOM 0 H VAL A 70 -5.641 0.507 4.103 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.826 -0.973 5.447 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.267 1.574 6.368 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.774 0.380 8.543 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.642 -0.689 7.416 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -6.885 -0.867 7.638 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.379 2.290 7.651 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.345 1.103 6.820 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -6.100 2.425 5.898 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.477 0.873 4.208 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.400 1.327 3.146 1.00 16.06 C ATOM 1133 C LEU A 71 -10.666 2.768 3.401 1.00 18.09 C ATOM 1134 O LEU A 71 -10.743 3.219 4.546 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.687 0.431 3.107 1.00 17.10 C ATOM 1136 CG LEU A 71 -12.382 0.530 1.726 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.680 -0.210 0.556 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -13.865 0.160 1.669 1.00 19.57 C ATOM 0 H LEU A 71 -9.936 0.760 5.112 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.968 1.223 2.151 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.421 -0.606 3.312 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.378 0.744 3.890 1.00 17.10 H new ATOM 0 HG LEU A 71 -12.287 1.607 1.588 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -12.255 -0.071 -0.359 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -10.677 0.194 0.419 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.614 -1.274 0.786 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -14.229 0.272 0.648 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -13.995 -0.874 1.989 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -14.430 0.818 2.329 1.00 19.57 H new ATOM 1150 N ARG A 72 -10.876 3.622 2.354 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.256 4.982 2.569 1.00 25.83 C ATOM 1152 C ARG A 72 -12.616 5.126 3.277 1.00 27.74 C ATOM 1153 O ARG A 72 -13.626 4.453 2.961 1.00 30.65 O ATOM 1154 CB ARG A 72 -11.320 5.668 1.190 1.00 28.49 C ATOM 1155 CG ARG A 72 -11.445 7.250 1.274 1.00 31.79 C ATOM 1156 CD ARG A 72 -11.108 7.930 -0.073 1.00 34.05 C ATOM 1157 NE ARG A 72 -10.913 9.384 0.100 1.00 35.08 N ATOM 1158 CZ ARG A 72 -10.138 10.054 -0.731 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -9.786 9.544 -1.904 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -9.689 11.244 -0.435 1.00 35.02 N ATOM 0 H ARG A 72 -10.780 3.359 1.373 1.00 21.47 H new ATOM 0 HA ARG A 72 -10.518 5.445 3.224 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -10.425 5.412 0.624 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -12.171 5.273 0.636 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -12.459 7.518 1.572 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -10.775 7.626 2.047 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -10.205 7.486 -0.492 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -11.912 7.750 -0.786 1.00 34.05 H new ATOM 0 HE ARG A 72 -11.379 9.872 0.865 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -10.115 8.618 -2.177 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -9.186 10.078 -2.533 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -9.936 11.675 0.456 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -9.091 11.742 -1.094 1.00 35.02 H new ATOM 1174 N LEU A 73 -12.752 6.119 4.150 1.00 28.93 N ATOM 1175 CA LEU A 73 -14.017 6.629 4.466 1.00 30.76 C ATOM 1176 C LEU A 73 -14.016 8.146 4.154 1.00 32.18 C ATOM 1177 O LEU A 73 -13.147 8.957 4.518 1.00 32.31 O ATOM 1178 CB LEU A 73 -14.246 6.501 5.943 1.00 30.53 C ATOM 1179 CG LEU A 73 -15.526 7.218 6.485 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -16.809 6.745 5.877 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -15.559 7.143 7.980 1.00 29.11 C ATOM 0 H LEU A 73 -11.976 6.568 4.637 1.00 28.93 H new ATOM 0 HA LEU A 73 -14.779 6.092 3.901 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -14.309 5.442 6.194 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -13.377 6.901 6.465 1.00 30.53 H new ATOM 0 HG LEU A 73 -15.449 8.260 6.175 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -17.643 7.296 6.312 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -16.785 6.913 4.800 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -16.935 5.681 6.076 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -16.453 7.645 8.350 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -15.574 6.099 8.292 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -14.674 7.631 8.388 1.00 29.11 H new ATOM 1193 N ARG A 74 -15.117 8.612 3.457 1.00 33.82 N ATOM 1194 CA ARG A 74 -15.275 9.994 3.060 1.00 35.33 C ATOM 1195 C ARG A 74 -15.533 10.936 4.204 1.00 36.22 C ATOM 1196 O ARG A 74 -15.051 12.074 4.283 1.00 36.70 O ATOM 1197 CB ARG A 74 -16.277 10.121 1.888 1.00 36.91 C ATOM 1198 CG ARG A 74 -15.837 9.338 0.543 1.00 38.62 C ATOM 1199 CD ARG A 74 -14.729 10.009 -0.122 1.00 39.75 C ATOM 1200 NE ARG A 74 -14.275 9.080 -1.179 1.00 41.13 N ATOM 1201 CZ ARG A 74 -13.559 9.517 -2.255 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -13.079 10.735 -2.372 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -13.173 8.625 -3.201 1.00 41.93 N ATOM 0 H ARG A 74 -15.893 8.013 3.175 1.00 33.82 H new ATOM 0 HA ARG A 74 -14.309 10.330 2.683 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -17.247 9.743 2.213 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -16.409 11.177 1.652 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -15.549 8.317 0.792 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -16.686 9.273 -0.137 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -15.046 10.961 -0.547 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -13.924 10.226 0.580 1.00 39.75 H new ATOM 0 HE ARG A 74 -14.503 8.089 -1.102 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -13.234 11.418 -1.630 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -12.551 10.997 -3.204 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -13.418 7.640 -3.103 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -12.637 8.939 -4.010 1.00 41.93 H new ATOM 1217 N GLY A 75 -16.300 10.573 5.180 1.00 36.31 N ATOM 1218 CA GLY A 75 -16.538 11.488 6.327 1.00 36.07 C ATOM 1219 C GLY A 75 -15.418 11.535 7.318 1.00 36.16 C ATOM 1220 O GLY A 75 -15.569 12.140 8.343 1.00 36.26 O ATOM 0 H GLY A 75 -16.779 9.674 5.238 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -16.712 12.494 5.945 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -17.449 11.180 6.840 1.00 36.07 H new ATOM 1224 N GLY A 76 -14.275 10.771 7.094 1.00 36.05 N ATOM 1225 CA GLY A 76 -13.176 10.830 7.957 1.00 36.19 C ATOM 1226 C GLY A 76 -12.006 10.294 7.229 1.00 36.20 C ATOM 1227 O GLY A 76 -11.567 10.961 6.247 1.00 0.00 O ATOM 1228 OXT GLY A 76 -11.511 9.199 7.632 1.00 0.00 O ATOM 0 H GLY A 76 -14.161 10.132 6.307 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -12.992 11.857 8.273 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -13.366 10.248 8.859 1.00 36.19 H new TER 1232 GLY A 76