USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 167:sc= 2.18 (180deg=1.98) USER MOD Single : A 2 GLN : amide:sc= 0.768 K(o=0.77,f=-0.31) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 160:sc= -0.223 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 151:sc= 0.225 (180deg=-0.399) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 174:sc= 1.19 (180deg=1.18) USER MOD Single : A 29 LYS NZ :NH3+ -172:sc= 1.23 (180deg=1.08) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.393 X(o=-0.39,f=0) USER MOD Single : A 41 GLN : amide:sc= 0.862 K(o=0.86,f=-1.8!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.0341 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 15:sc= 0.509 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.0042) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 54:sc= 0.449 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.787 K(o=0.79,f=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.647 4.323 -2.608 1.00 9.67 N ATOM 2 CA MET A 1 -12.586 4.636 -1.163 1.00 10.38 C ATOM 3 C MET A 1 -11.211 5.091 -0.811 1.00 9.62 C ATOM 4 O MET A 1 -10.226 4.631 -1.385 1.00 9.62 O ATOM 5 CB MET A 1 -13.214 3.495 -0.346 1.00 13.77 C ATOM 6 CG MET A 1 -12.552 2.125 -0.506 1.00 16.29 C ATOM 7 SD MET A 1 -10.997 1.909 0.410 1.00 17.17 S ATOM 8 CE MET A 1 -10.422 0.218 0.081 1.00 16.11 C ATOM 0 H1 MET A 1 -13.524 3.803 -2.814 1.00 9.67 H new ATOM 0 H2 MET A 1 -12.632 5.207 -3.156 1.00 9.67 H new ATOM 0 H3 MET A 1 -11.828 3.738 -2.871 1.00 9.67 H new ATOM 0 HA MET A 1 -13.208 5.488 -0.888 1.00 10.38 H new ATOM 0 HB2 MET A 1 -13.188 3.770 0.708 1.00 13.77 H new ATOM 0 HB3 MET A 1 -14.264 3.406 -0.626 1.00 13.77 H new ATOM 0 HG2 MET A 1 -13.256 1.358 -0.182 1.00 16.29 H new ATOM 0 HG3 MET A 1 -12.359 1.953 -1.565 1.00 16.29 H new ATOM 0 HE1 MET A 1 -9.487 0.042 0.613 1.00 16.11 H new ATOM 0 HE2 MET A 1 -11.173 -0.495 0.422 1.00 16.11 H new ATOM 0 HE3 MET A 1 -10.260 0.090 -0.989 1.00 16.11 H new ATOM 20 N GLN A 2 -11.077 6.055 0.118 1.00 9.27 N ATOM 21 CA GLN A 2 -9.815 6.589 0.527 1.00 9.07 C ATOM 22 C GLN A 2 -9.061 5.665 1.421 1.00 8.72 C ATOM 23 O GLN A 2 -9.488 5.380 2.538 1.00 8.22 O ATOM 24 CB GLN A 2 -9.955 7.905 1.310 1.00 14.46 C ATOM 25 CG GLN A 2 -10.731 8.928 0.477 1.00 17.01 C ATOM 26 CD GLN A 2 -10.882 10.228 1.254 1.00 20.10 C ATOM 27 OE1 GLN A 2 -10.313 11.269 0.929 1.00 21.89 O ATOM 28 NE2 GLN A 2 -11.644 10.153 2.377 1.00 19.49 N ATOM 0 H GLN A 2 -11.872 6.476 0.599 1.00 9.27 H new ATOM 0 HA GLN A 2 -9.282 6.746 -0.411 1.00 9.07 H new ATOM 0 HB2 GLN A 2 -10.472 7.724 2.253 1.00 14.46 H new ATOM 0 HB3 GLN A 2 -8.969 8.298 1.557 1.00 14.46 H new ATOM 0 HG2 GLN A 2 -10.210 9.115 -0.462 1.00 17.01 H new ATOM 0 HG3 GLN A 2 -11.714 8.531 0.222 1.00 17.01 H new ATOM 0 HE21 GLN A 2 -12.105 9.277 2.623 1.00 19.49 H new ATOM 0 HE22 GLN A 2 -11.755 10.973 2.974 1.00 19.49 H new ATOM 37 N ILE A 3 -7.811 5.396 1.006 1.00 5.87 N ATOM 38 CA ILE A 3 -6.677 5.056 1.809 1.00 5.07 C ATOM 39 C ILE A 3 -5.805 6.263 1.771 1.00 4.01 C ATOM 40 O ILE A 3 -5.495 6.884 0.755 1.00 4.61 O ATOM 41 CB ILE A 3 -5.898 3.818 1.478 1.00 6.55 C ATOM 42 CG1 ILE A 3 -5.152 3.839 0.133 1.00 4.72 C ATOM 43 CG2 ILE A 3 -6.848 2.629 1.701 1.00 5.58 C ATOM 44 CD1 ILE A 3 -4.389 2.528 -0.053 1.00 10.83 C ATOM 0 H ILE A 3 -7.574 5.419 0.014 1.00 5.87 H new ATOM 0 HA ILE A 3 -7.058 4.785 2.794 1.00 5.07 H new ATOM 0 HB ILE A 3 -5.041 3.731 2.146 1.00 6.55 H new ATOM 0 HG12 ILE A 3 -5.860 3.978 -0.684 1.00 4.72 H new ATOM 0 HG13 ILE A 3 -4.460 4.681 0.103 1.00 4.72 H new ATOM 0 HG21 ILE A 3 -6.327 1.699 1.473 1.00 5.58 H new ATOM 0 HG22 ILE A 3 -7.176 2.615 2.740 1.00 5.58 H new ATOM 0 HG23 ILE A 3 -7.715 2.729 1.048 1.00 5.58 H new ATOM 0 HD11 ILE A 3 -3.862 2.546 -1.007 1.00 10.83 H new ATOM 0 HD12 ILE A 3 -3.670 2.408 0.757 1.00 10.83 H new ATOM 0 HD13 ILE A 3 -5.091 1.694 -0.042 1.00 10.83 H new ATOM 56 N PHE A 4 -5.192 6.565 2.929 1.00 4.55 N ATOM 57 CA PHE A 4 -4.104 7.490 3.008 1.00 4.68 C ATOM 58 C PHE A 4 -2.853 6.685 3.096 1.00 5.30 C ATOM 59 O PHE A 4 -2.794 5.627 3.721 1.00 5.58 O ATOM 60 CB PHE A 4 -4.323 8.314 4.289 1.00 4.83 C ATOM 61 CG PHE A 4 -5.673 8.928 4.422 1.00 7.97 C ATOM 62 CD1 PHE A 4 -6.128 9.901 3.563 1.00 6.69 C ATOM 63 CD2 PHE A 4 -6.615 8.410 5.280 1.00 8.34 C ATOM 64 CE1 PHE A 4 -7.432 10.332 3.508 1.00 9.10 C ATOM 65 CE2 PHE A 4 -7.923 8.833 5.293 1.00 10.61 C ATOM 66 CZ PHE A 4 -8.325 9.811 4.414 1.00 8.90 C ATOM 0 H PHE A 4 -5.456 6.160 3.827 1.00 4.55 H new ATOM 0 HA PHE A 4 -4.039 8.159 2.150 1.00 4.68 H new ATOM 0 HB2 PHE A 4 -4.147 7.670 5.151 1.00 4.83 H new ATOM 0 HB3 PHE A 4 -3.575 9.106 4.325 1.00 4.83 H new ATOM 0 HD1 PHE A 4 -5.416 10.355 2.889 1.00 6.69 H new ATOM 0 HD2 PHE A 4 -6.314 7.638 5.973 1.00 8.34 H new ATOM 0 HE1 PHE A 4 -7.746 11.059 2.774 1.00 9.10 H new ATOM 0 HE2 PHE A 4 -8.628 8.401 5.987 1.00 10.61 H new ATOM 0 HZ PHE A 4 -9.343 10.170 4.435 1.00 8.90 H new ATOM 76 N VAL A 5 -1.782 7.200 2.468 1.00 4.44 N ATOM 77 CA VAL A 5 -0.460 6.680 2.630 1.00 3.87 C ATOM 78 C VAL A 5 0.389 7.578 3.463 1.00 4.93 C ATOM 79 O VAL A 5 0.474 8.751 3.102 1.00 6.84 O ATOM 80 CB VAL A 5 0.280 6.218 1.410 1.00 2.99 C ATOM 81 CG1 VAL A 5 1.678 5.671 1.742 1.00 5.28 C ATOM 82 CG2 VAL A 5 -0.613 5.101 0.843 1.00 9.13 C ATOM 0 H VAL A 5 -1.836 7.996 1.833 1.00 4.44 H new ATOM 0 HA VAL A 5 -0.657 5.744 3.153 1.00 3.87 H new ATOM 0 HB VAL A 5 0.454 7.036 0.711 1.00 2.99 H new ATOM 0 HG11 VAL A 5 2.171 5.350 0.824 1.00 5.28 H new ATOM 0 HG12 VAL A 5 2.271 6.452 2.218 1.00 5.28 H new ATOM 0 HG13 VAL A 5 1.585 4.822 2.419 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.157 4.693 -0.059 1.00 9.13 H new ATOM 0 HG22 VAL A 5 -0.721 4.310 1.585 1.00 9.13 H new ATOM 0 HG23 VAL A 5 -1.595 5.508 0.601 1.00 9.13 H new ATOM 92 N LYS A 6 0.987 7.095 4.566 1.00 6.04 N ATOM 93 CA LYS A 6 1.781 7.919 5.423 1.00 6.12 C ATOM 94 C LYS A 6 3.239 7.703 5.204 1.00 6.57 C ATOM 95 O LYS A 6 3.720 6.575 5.291 1.00 5.76 O ATOM 96 CB LYS A 6 1.399 7.853 6.911 1.00 7.45 C ATOM 97 CG LYS A 6 2.150 8.702 7.939 1.00 11.12 C ATOM 98 CD LYS A 6 1.628 8.450 9.355 1.00 14.54 C ATOM 99 CE LYS A 6 2.430 9.267 10.369 1.00 18.84 C ATOM 100 NZ LYS A 6 1.652 9.277 11.628 1.00 20.55 N ATOM 0 H LYS A 6 0.919 6.123 4.867 1.00 6.04 H new ATOM 0 HA LYS A 6 1.547 8.942 5.127 1.00 6.12 H new ATOM 0 HB2 LYS A 6 0.344 8.115 6.985 1.00 7.45 H new ATOM 0 HB3 LYS A 6 1.492 6.812 7.222 1.00 7.45 H new ATOM 0 HG2 LYS A 6 3.215 8.473 7.895 1.00 11.12 H new ATOM 0 HG3 LYS A 6 2.041 9.758 7.691 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.573 8.718 9.414 1.00 14.54 H new ATOM 0 HD3 LYS A 6 1.701 7.389 9.593 1.00 14.54 H new ATOM 0 HE2 LYS A 6 3.414 8.826 10.527 1.00 18.84 H new ATOM 0 HE3 LYS A 6 2.590 10.282 10.006 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 2.164 9.825 12.348 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.723 9.712 11.458 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 1.522 8.301 11.963 1.00 20.55 H new ATOM 114 N THR A 7 3.966 8.715 4.697 1.00 7.41 N ATOM 115 CA THR A 7 5.380 8.728 4.481 1.00 7.48 C ATOM 116 C THR A 7 6.273 8.615 5.668 1.00 8.75 C ATOM 117 O THR A 7 5.825 8.488 6.806 1.00 8.58 O ATOM 118 CB THR A 7 5.902 9.745 3.509 1.00 9.61 C ATOM 119 OG1 THR A 7 6.100 11.048 4.038 1.00 11.78 O ATOM 120 CG2 THR A 7 4.910 9.871 2.341 1.00 9.17 C ATOM 0 H THR A 7 3.529 9.593 4.416 1.00 7.41 H new ATOM 0 HA THR A 7 5.447 7.757 3.990 1.00 7.48 H new ATOM 0 HB THR A 7 6.883 9.375 3.210 1.00 9.61 H new ATOM 0 HG1 THR A 7 6.720 11.544 3.463 1.00 11.78 H new ATOM 0 HG21 THR A 7 5.279 10.608 1.628 1.00 9.17 H new ATOM 0 HG22 THR A 7 4.807 8.906 1.845 1.00 9.17 H new ATOM 0 HG23 THR A 7 3.939 10.189 2.721 1.00 9.17 H new ATOM 128 N LEU A 8 7.604 8.736 5.518 1.00 9.84 N ATOM 129 CA LEU A 8 8.430 8.711 6.686 1.00 14.15 C ATOM 130 C LEU A 8 8.457 10.047 7.344 1.00 17.37 C ATOM 131 O LEU A 8 8.031 10.245 8.481 1.00 17.01 O ATOM 132 CB LEU A 8 9.879 8.412 6.265 1.00 16.63 C ATOM 133 CG LEU A 8 10.010 7.011 5.643 1.00 18.88 C ATOM 134 CD1 LEU A 8 11.331 6.891 4.865 1.00 18.59 C ATOM 135 CD2 LEU A 8 9.957 5.907 6.713 1.00 19.31 C ATOM 0 H LEU A 8 8.093 8.847 4.630 1.00 9.84 H new ATOM 0 HA LEU A 8 8.029 7.958 7.364 1.00 14.15 H new ATOM 0 HB2 LEU A 8 10.212 9.162 5.548 1.00 16.63 H new ATOM 0 HB3 LEU A 8 10.534 8.488 7.133 1.00 16.63 H new ATOM 0 HG LEU A 8 9.166 6.880 4.965 1.00 18.88 H new ATOM 0 HD11 LEU A 8 11.408 5.894 4.431 1.00 18.59 H new ATOM 0 HD12 LEU A 8 11.354 7.636 4.069 1.00 18.59 H new ATOM 0 HD13 LEU A 8 12.169 7.058 5.542 1.00 18.59 H new ATOM 0 HD21 LEU A 8 10.053 4.932 6.235 1.00 19.31 H new ATOM 0 HD22 LEU A 8 10.775 6.046 7.420 1.00 19.31 H new ATOM 0 HD23 LEU A 8 9.006 5.959 7.243 1.00 19.31 H new ATOM 147 N THR A 9 8.930 11.072 6.613 1.00 18.33 N ATOM 148 CA THR A 9 9.142 12.396 7.112 1.00 19.24 C ATOM 149 C THR A 9 7.894 13.166 7.375 1.00 19.48 C ATOM 150 O THR A 9 7.536 13.230 8.550 1.00 23.14 O ATOM 151 CB THR A 9 10.206 13.117 6.340 1.00 18.97 C ATOM 152 OG1 THR A 9 9.816 13.334 4.992 1.00 20.24 O ATOM 153 CG2 THR A 9 11.555 12.380 6.376 1.00 19.70 C ATOM 0 H THR A 9 9.176 10.973 5.628 1.00 18.33 H new ATOM 0 HA THR A 9 9.547 12.290 8.119 1.00 19.24 H new ATOM 0 HB THR A 9 10.334 14.082 6.831 1.00 18.97 H new ATOM 0 HG1 THR A 9 10.531 13.807 4.517 1.00 20.24 H new ATOM 0 HG21 THR A 9 12.292 12.942 5.803 1.00 19.70 H new ATOM 0 HG22 THR A 9 11.892 12.288 7.409 1.00 19.70 H new ATOM 0 HG23 THR A 9 11.439 11.387 5.942 1.00 19.70 H new ATOM 161 N GLY A 10 6.992 13.553 6.455 1.00 19.43 N ATOM 162 CA GLY A 10 5.905 14.370 6.896 1.00 18.74 C ATOM 163 C GLY A 10 4.936 14.744 5.828 1.00 17.62 C ATOM 164 O GLY A 10 4.585 15.920 5.750 1.00 19.74 O ATOM 0 H GLY A 10 7.008 13.318 5.463 1.00 19.43 H new ATOM 0 HA2 GLY A 10 5.369 13.843 7.686 1.00 18.74 H new ATOM 0 HA3 GLY A 10 6.309 15.281 7.337 1.00 18.74 H new ATOM 168 N LYS A 11 4.434 13.684 5.171 1.00 13.56 N ATOM 169 CA LYS A 11 3.546 13.750 4.052 1.00 11.91 C ATOM 170 C LYS A 11 2.465 12.747 4.267 1.00 10.18 C ATOM 171 O LYS A 11 2.745 11.630 4.701 1.00 9.10 O ATOM 172 CB LYS A 11 4.355 13.603 2.752 1.00 13.43 C ATOM 173 CG LYS A 11 3.520 13.798 1.485 1.00 16.69 C ATOM 174 CD LYS A 11 4.174 13.496 0.135 1.00 17.92 C ATOM 175 CE LYS A 11 5.567 14.081 -0.105 1.00 20.81 C ATOM 176 NZ LYS A 11 6.002 13.997 -1.517 1.00 21.93 N ATOM 0 H LYS A 11 4.661 12.726 5.436 1.00 13.56 H new ATOM 0 HA LYS A 11 3.047 14.714 3.955 1.00 11.91 H new ATOM 0 HB2 LYS A 11 5.168 14.329 2.756 1.00 13.43 H new ATOM 0 HB3 LYS A 11 4.811 12.613 2.728 1.00 13.43 H new ATOM 0 HG2 LYS A 11 2.632 13.172 1.572 1.00 16.69 H new ATOM 0 HG3 LYS A 11 3.180 14.833 1.466 1.00 16.69 H new ATOM 0 HD2 LYS A 11 4.237 12.414 0.023 1.00 17.92 H new ATOM 0 HD3 LYS A 11 3.513 13.860 -0.651 1.00 17.92 H new ATOM 0 HE2 LYS A 11 5.574 15.125 0.209 1.00 20.81 H new ATOM 0 HE3 LYS A 11 6.287 13.555 0.522 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 6.652 14.781 -1.727 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 6.488 13.092 -1.677 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 5.172 14.059 -2.140 1.00 21.93 H new ATOM 190 N THR A 12 1.209 13.113 3.956 1.00 9.63 N ATOM 191 CA THR A 12 0.122 12.203 4.139 1.00 9.85 C ATOM 192 C THR A 12 -0.753 12.394 2.948 1.00 11.66 C ATOM 193 O THR A 12 -1.427 13.413 2.803 1.00 12.33 O ATOM 194 CB THR A 12 -0.657 12.169 5.420 1.00 10.85 C ATOM 195 OG1 THR A 12 0.196 11.931 6.530 1.00 10.91 O ATOM 196 CG2 THR A 12 -1.524 10.899 5.378 1.00 9.63 C ATOM 0 H THR A 12 0.948 14.026 3.583 1.00 9.63 H new ATOM 0 HA THR A 12 0.581 11.219 4.236 1.00 9.85 H new ATOM 0 HB THR A 12 -1.197 13.111 5.517 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.335 11.915 7.353 1.00 10.91 H new ATOM 0 HG21 THR A 12 -2.112 10.830 6.293 1.00 9.63 H new ATOM 0 HG22 THR A 12 -2.193 10.944 4.519 1.00 9.63 H new ATOM 0 HG23 THR A 12 -0.882 10.023 5.292 1.00 9.63 H new ATOM 204 N ILE A 13 -0.742 11.401 2.040 1.00 10.42 N ATOM 205 CA ILE A 13 -1.282 11.491 0.719 1.00 11.84 C ATOM 206 C ILE A 13 -2.468 10.593 0.635 1.00 10.55 C ATOM 207 O ILE A 13 -2.741 9.727 1.465 1.00 11.92 O ATOM 208 CB ILE A 13 -0.350 11.035 -0.364 1.00 14.86 C ATOM 209 CG1 ILE A 13 0.328 9.670 -0.154 1.00 14.87 C ATOM 210 CG2 ILE A 13 0.625 12.207 -0.560 1.00 17.08 C ATOM 211 CD1 ILE A 13 1.039 9.109 -1.384 1.00 16.46 C ATOM 0 H ILE A 13 -0.335 10.487 2.239 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.503 12.547 0.561 1.00 11.84 H new ATOM 0 HB ILE A 13 -0.913 10.813 -1.271 1.00 14.86 H new ATOM 0 HG12 ILE A 13 1.052 9.761 0.656 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -0.426 8.953 0.171 1.00 14.87 H new ATOM 0 HG21 ILE A 13 1.345 11.955 -1.339 1.00 17.08 H new ATOM 0 HG22 ILE A 13 0.069 13.098 -0.853 1.00 17.08 H new ATOM 0 HG23 ILE A 13 1.154 12.400 0.373 1.00 17.08 H new ATOM 0 HD11 ILE A 13 1.486 8.146 -1.138 1.00 16.46 H new ATOM 0 HD12 ILE A 13 0.320 8.980 -2.193 1.00 16.46 H new ATOM 0 HD13 ILE A 13 1.820 9.801 -1.700 1.00 16.46 H new ATOM 223 N THR A 14 -3.320 10.840 -0.376 1.00 9.39 N ATOM 224 CA THR A 14 -4.575 10.193 -0.601 1.00 9.63 C ATOM 225 C THR A 14 -4.591 9.445 -1.889 1.00 11.20 C ATOM 226 O THR A 14 -4.275 9.954 -2.964 1.00 11.63 O ATOM 227 CB THR A 14 -5.774 11.079 -0.764 1.00 10.38 C ATOM 228 OG1 THR A 14 -5.768 12.101 0.222 1.00 16.30 O ATOM 229 CG2 THR A 14 -7.131 10.395 -0.525 1.00 11.66 C ATOM 0 H THR A 14 -3.116 11.543 -1.087 1.00 9.39 H new ATOM 0 HA THR A 14 -4.650 9.592 0.305 1.00 9.63 H new ATOM 0 HB THR A 14 -5.690 11.419 -1.796 1.00 10.38 H new ATOM 0 HG1 THR A 14 -6.554 12.674 0.104 1.00 16.30 H new ATOM 0 HG21 THR A 14 -7.933 11.119 -0.667 1.00 11.66 H new ATOM 0 HG22 THR A 14 -7.254 9.574 -1.231 1.00 11.66 H new ATOM 0 HG23 THR A 14 -7.169 10.007 0.493 1.00 11.66 H new ATOM 237 N LEU A 15 -4.953 8.152 -1.815 1.00 8.29 N ATOM 238 CA LEU A 15 -5.158 7.377 -2.999 1.00 9.03 C ATOM 239 C LEU A 15 -6.599 7.039 -3.173 1.00 8.59 C ATOM 240 O LEU A 15 -7.417 7.276 -2.285 1.00 7.79 O ATOM 241 CB LEU A 15 -4.257 6.130 -2.982 1.00 11.08 C ATOM 242 CG LEU A 15 -2.751 6.409 -3.117 1.00 15.79 C ATOM 243 CD1 LEU A 15 -2.128 5.012 -3.270 1.00 15.27 C ATOM 244 CD2 LEU A 15 -2.344 7.220 -4.359 1.00 15.88 C ATOM 0 H LEU A 15 -5.103 7.646 -0.942 1.00 8.29 H new ATOM 0 HA LEU A 15 -4.872 7.972 -3.867 1.00 9.03 H new ATOM 0 HB2 LEU A 15 -4.428 5.590 -2.051 1.00 11.08 H new ATOM 0 HB3 LEU A 15 -4.562 5.470 -3.794 1.00 11.08 H new ATOM 0 HG LEU A 15 -2.427 6.998 -2.259 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -1.047 5.105 -3.374 1.00 15.27 H new ATOM 0 HD12 LEU A 15 -2.358 4.413 -2.389 1.00 15.27 H new ATOM 0 HD13 LEU A 15 -2.537 4.526 -4.156 1.00 15.27 H new ATOM 0 HD21 LEU A 15 -1.263 7.363 -4.362 1.00 15.88 H new ATOM 0 HD22 LEU A 15 -2.641 6.681 -5.259 1.00 15.88 H new ATOM 0 HD23 LEU A 15 -2.838 8.191 -4.337 1.00 15.88 H new ATOM 256 N GLU A 16 -6.925 6.634 -4.413 1.00 11.04 N ATOM 257 CA GLU A 16 -8.278 6.270 -4.696 1.00 11.50 C ATOM 258 C GLU A 16 -8.219 4.824 -5.047 1.00 10.13 C ATOM 259 O GLU A 16 -7.789 4.436 -6.132 1.00 9.83 O ATOM 260 CB GLU A 16 -8.826 7.089 -5.877 1.00 17.22 C ATOM 261 CG GLU A 16 -10.331 6.872 -6.056 1.00 23.33 C ATOM 262 CD GLU A 16 -11.130 7.108 -4.783 1.00 26.99 C ATOM 263 OE1 GLU A 16 -11.073 8.294 -4.359 1.00 28.86 O ATOM 264 OE2 GLU A 16 -11.853 6.176 -4.341 1.00 28.90 O ATOM 0 H GLU A 16 -6.276 6.560 -5.197 1.00 11.04 H new ATOM 0 HA GLU A 16 -8.939 6.463 -3.851 1.00 11.50 H new ATOM 0 HB2 GLU A 16 -8.627 8.148 -5.711 1.00 17.22 H new ATOM 0 HB3 GLU A 16 -8.305 6.806 -6.791 1.00 17.22 H new ATOM 0 HG2 GLU A 16 -10.697 7.540 -6.835 1.00 23.33 H new ATOM 0 HG3 GLU A 16 -10.505 5.853 -6.402 1.00 23.33 H new ATOM 271 N VAL A 17 -8.746 3.927 -4.195 1.00 8.99 N ATOM 272 CA VAL A 17 -8.683 2.514 -4.406 1.00 8.85 C ATOM 273 C VAL A 17 -10.018 1.853 -4.394 1.00 8.04 C ATOM 274 O VAL A 17 -10.961 2.479 -3.910 1.00 8.99 O ATOM 275 CB VAL A 17 -7.792 1.883 -3.376 1.00 9.78 C ATOM 276 CG1 VAL A 17 -6.329 2.126 -3.782 1.00 12.05 C ATOM 277 CG2 VAL A 17 -8.044 2.483 -1.982 1.00 10.54 C ATOM 0 H VAL A 17 -9.229 4.191 -3.336 1.00 8.99 H new ATOM 0 HA VAL A 17 -8.272 2.367 -5.405 1.00 8.85 H new ATOM 0 HB VAL A 17 -8.006 0.815 -3.327 1.00 9.78 H new ATOM 0 HG11 VAL A 17 -5.667 1.674 -3.044 1.00 12.05 H new ATOM 0 HG12 VAL A 17 -6.143 1.679 -4.759 1.00 12.05 H new ATOM 0 HG13 VAL A 17 -6.138 3.198 -3.832 1.00 12.05 H new ATOM 0 HG21 VAL A 17 -7.385 2.007 -1.256 1.00 10.54 H new ATOM 0 HG22 VAL A 17 -7.844 3.554 -2.005 1.00 10.54 H new ATOM 0 HG23 VAL A 17 -9.082 2.314 -1.695 1.00 10.54 H new ATOM 287 N GLU A 18 -10.229 0.701 -5.055 1.00 7.29 N ATOM 288 CA GLU A 18 -11.392 -0.110 -4.867 1.00 7.08 C ATOM 289 C GLU A 18 -11.192 -1.246 -3.923 1.00 6.45 C ATOM 290 O GLU A 18 -10.037 -1.662 -3.852 1.00 5.28 O ATOM 291 CB GLU A 18 -12.023 -0.599 -6.181 1.00 10.28 C ATOM 292 CG GLU A 18 -12.578 0.475 -7.119 1.00 12.65 C ATOM 293 CD GLU A 18 -13.540 1.504 -6.544 1.00 14.15 C ATOM 294 OE1 GLU A 18 -14.610 1.040 -6.067 1.00 14.33 O ATOM 295 OE2 GLU A 18 -13.257 2.732 -6.564 1.00 18.17 O ATOM 0 H GLU A 18 -9.573 0.323 -5.739 1.00 7.29 H new ATOM 0 HA GLU A 18 -12.104 0.570 -4.399 1.00 7.08 H new ATOM 0 HB2 GLU A 18 -11.273 -1.172 -6.726 1.00 10.28 H new ATOM 0 HB3 GLU A 18 -12.832 -1.287 -5.935 1.00 10.28 H new ATOM 0 HG2 GLU A 18 -11.732 1.013 -7.547 1.00 12.65 H new ATOM 0 HG3 GLU A 18 -13.084 -0.030 -7.942 1.00 12.65 H new ATOM 302 N PRO A 19 -12.119 -1.811 -3.208 1.00 7.24 N ATOM 303 CA PRO A 19 -11.854 -2.901 -2.315 1.00 7.07 C ATOM 304 C PRO A 19 -11.288 -4.141 -2.916 1.00 6.65 C ATOM 305 O PRO A 19 -10.651 -4.976 -2.275 1.00 6.37 O ATOM 306 CB PRO A 19 -13.238 -3.145 -1.719 1.00 7.61 C ATOM 307 CG PRO A 19 -13.920 -1.769 -1.656 1.00 8.16 C ATOM 308 CD PRO A 19 -13.341 -1.081 -2.903 1.00 7.49 C ATOM 0 HA PRO A 19 -11.064 -2.643 -1.609 1.00 7.07 H new ATOM 0 HB2 PRO A 19 -13.812 -3.837 -2.335 1.00 7.61 H new ATOM 0 HB3 PRO A 19 -13.163 -3.589 -0.726 1.00 7.61 H new ATOM 0 HG2 PRO A 19 -15.006 -1.848 -1.698 1.00 8.16 H new ATOM 0 HG3 PRO A 19 -13.675 -1.231 -0.740 1.00 8.16 H new ATOM 0 HD2 PRO A 19 -14.042 -1.121 -3.736 1.00 7.49 H new ATOM 0 HD3 PRO A 19 -13.134 -0.028 -2.711 1.00 7.49 H new ATOM 316 N SER A 20 -11.514 -4.283 -4.234 1.00 6.80 N ATOM 317 CA SER A 20 -11.010 -5.211 -5.198 1.00 6.28 C ATOM 318 C SER A 20 -9.621 -4.984 -5.690 1.00 8.45 C ATOM 319 O SER A 20 -9.020 -5.726 -6.465 1.00 7.26 O ATOM 320 CB SER A 20 -11.824 -5.382 -6.492 1.00 8.57 C ATOM 321 OG SER A 20 -13.171 -5.711 -6.189 1.00 11.13 O ATOM 0 H SER A 20 -12.157 -3.636 -4.690 1.00 6.80 H new ATOM 0 HA SER A 20 -11.074 -6.094 -4.562 1.00 6.28 H new ATOM 0 HB2 SER A 20 -11.790 -4.462 -7.075 1.00 8.57 H new ATOM 0 HB3 SER A 20 -11.381 -6.165 -7.107 1.00 8.57 H new ATOM 0 HG SER A 20 -13.678 -5.815 -7.021 1.00 11.13 H new ATOM 327 N ASP A 21 -9.005 -3.838 -5.348 1.00 7.50 N ATOM 328 CA ASP A 21 -7.641 -3.637 -5.726 1.00 7.70 C ATOM 329 C ASP A 21 -6.638 -4.281 -4.830 1.00 7.08 C ATOM 330 O ASP A 21 -6.758 -4.200 -3.609 1.00 8.11 O ATOM 331 CB ASP A 21 -7.262 -2.151 -5.846 1.00 11.00 C ATOM 332 CG ASP A 21 -7.483 -1.710 -7.286 1.00 15.32 C ATOM 333 OD1 ASP A 21 -8.658 -1.407 -7.624 1.00 18.03 O ATOM 334 OD2 ASP A 21 -6.463 -1.514 -8.000 1.00 14.36 O ATOM 0 H ASP A 21 -9.434 -3.073 -4.827 1.00 7.50 H new ATOM 0 HA ASP A 21 -7.598 -4.124 -6.700 1.00 7.70 H new ATOM 0 HB2 ASP A 21 -7.868 -1.550 -5.169 1.00 11.00 H new ATOM 0 HB3 ASP A 21 -6.221 -2.001 -5.560 1.00 11.00 H new ATOM 339 N THR A 22 -5.707 -5.078 -5.383 1.00 5.37 N ATOM 340 CA THR A 22 -4.644 -5.780 -4.734 1.00 6.01 C ATOM 341 C THR A 22 -3.597 -4.867 -4.193 1.00 8.01 C ATOM 342 O THR A 22 -3.439 -3.715 -4.593 1.00 8.11 O ATOM 343 CB THR A 22 -3.920 -6.895 -5.429 1.00 8.92 C ATOM 344 OG1 THR A 22 -3.377 -6.513 -6.685 1.00 10.22 O ATOM 345 CG2 THR A 22 -4.829 -8.111 -5.677 1.00 9.65 C ATOM 0 H THR A 22 -5.701 -5.246 -6.389 1.00 5.37 H new ATOM 0 HA THR A 22 -5.249 -6.274 -3.974 1.00 6.01 H new ATOM 0 HB THR A 22 -3.110 -7.155 -4.747 1.00 8.92 H new ATOM 0 HG1 THR A 22 -2.917 -7.278 -7.089 1.00 10.22 H new ATOM 0 HG21 THR A 22 -4.261 -8.893 -6.182 1.00 9.65 H new ATOM 0 HG22 THR A 22 -5.199 -8.489 -4.724 1.00 9.65 H new ATOM 0 HG23 THR A 22 -5.672 -7.814 -6.301 1.00 9.65 H new ATOM 353 N ILE A 23 -2.807 -5.353 -3.220 1.00 8.32 N ATOM 354 CA ILE A 23 -1.604 -4.755 -2.729 1.00 9.92 C ATOM 355 C ILE A 23 -0.595 -4.539 -3.805 1.00 10.01 C ATOM 356 O ILE A 23 0.129 -3.550 -3.706 1.00 8.71 O ATOM 357 CB ILE A 23 -1.152 -5.479 -1.496 1.00 10.78 C ATOM 358 CG1 ILE A 23 -2.225 -5.498 -0.394 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.082 -4.791 -0.887 1.00 10.90 C ATOM 360 CD1 ILE A 23 -2.741 -4.233 0.290 1.00 12.30 C ATOM 0 H ILE A 23 -3.025 -6.227 -2.742 1.00 8.32 H new ATOM 0 HA ILE A 23 -1.790 -3.732 -2.401 1.00 9.92 H new ATOM 0 HB ILE A 23 -0.934 -6.497 -1.818 1.00 10.78 H new ATOM 0 HG12 ILE A 23 -3.096 -5.996 -0.820 1.00 11.38 H new ATOM 0 HG13 ILE A 23 -1.844 -6.143 0.397 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.395 -5.331 0.007 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.894 -4.791 -1.614 1.00 10.90 H new ATOM 0 HG23 ILE A 23 -0.168 -3.764 -0.622 1.00 10.90 H new ATOM 0 HD11 ILE A 23 -3.493 -4.501 1.032 1.00 12.30 H new ATOM 0 HD12 ILE A 23 -1.913 -3.722 0.781 1.00 12.30 H new ATOM 0 HD13 ILE A 23 -3.185 -3.572 -0.454 1.00 12.30 H new ATOM 372 N GLU A 24 -0.462 -5.410 -4.820 1.00 9.54 N ATOM 373 CA GLU A 24 0.401 -5.153 -5.931 1.00 11.81 C ATOM 374 C GLU A 24 0.071 -3.937 -6.727 1.00 11.14 C ATOM 375 O GLU A 24 0.911 -3.065 -6.941 1.00 10.62 O ATOM 376 CB GLU A 24 0.266 -6.294 -6.953 1.00 19.24 C ATOM 377 CG GLU A 24 0.888 -6.184 -8.347 1.00 27.76 C ATOM 378 CD GLU A 24 0.823 -7.468 -9.162 1.00 32.92 C ATOM 379 OE1 GLU A 24 1.282 -8.581 -8.791 1.00 36.51 O ATOM 380 OE2 GLU A 24 0.195 -7.411 -10.253 1.00 34.80 O ATOM 0 H GLU A 24 -0.957 -6.300 -4.871 1.00 9.54 H new ATOM 0 HA GLU A 24 1.385 -5.039 -5.476 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.681 -7.189 -6.489 1.00 19.24 H new ATOM 0 HB3 GLU A 24 -0.800 -6.472 -7.093 1.00 19.24 H new ATOM 0 HG2 GLU A 24 0.381 -5.391 -8.897 1.00 27.76 H new ATOM 0 HG3 GLU A 24 1.931 -5.884 -8.245 1.00 27.76 H new ATOM 387 N ASN A 25 -1.202 -3.871 -7.155 1.00 9.43 N ATOM 388 CA ASN A 25 -1.764 -2.746 -7.835 1.00 10.96 C ATOM 389 C ASN A 25 -1.735 -1.494 -7.028 1.00 9.68 C ATOM 390 O ASN A 25 -1.439 -0.474 -7.649 1.00 9.33 O ATOM 391 CB ASN A 25 -3.120 -3.025 -8.506 1.00 16.78 C ATOM 392 CG ASN A 25 -2.985 -3.663 -9.882 1.00 22.31 C ATOM 393 OD1 ASN A 25 -2.756 -3.031 -10.912 1.00 25.66 O ATOM 394 ND2 ASN A 25 -2.876 -5.017 -9.823 1.00 24.70 N ATOM 0 H ASN A 25 -1.867 -4.633 -7.022 1.00 9.43 H new ATOM 0 HA ASN A 25 -1.089 -2.562 -8.671 1.00 10.96 H new ATOM 0 HB2 ASN A 25 -3.708 -3.681 -7.864 1.00 16.78 H new ATOM 0 HB3 ASN A 25 -3.672 -2.090 -8.598 1.00 16.78 H new ATOM 0 HD21 ASN A 25 -2.596 -5.543 -10.651 1.00 24.70 H new ATOM 0 HD22 ASN A 25 -3.074 -5.507 -8.951 1.00 24.70 H new ATOM 401 N VAL A 26 -1.920 -1.479 -5.696 1.00 6.52 N ATOM 402 CA VAL A 26 -1.708 -0.450 -4.726 1.00 5.53 C ATOM 403 C VAL A 26 -0.395 0.242 -4.857 1.00 4.42 C ATOM 404 O VAL A 26 -0.320 1.465 -4.967 1.00 3.40 O ATOM 405 CB VAL A 26 -2.169 -0.786 -3.339 1.00 3.86 C ATOM 406 CG1 VAL A 26 -1.646 0.252 -2.331 1.00 7.25 C ATOM 407 CG2 VAL A 26 -3.702 -0.806 -3.223 1.00 8.12 C ATOM 0 H VAL A 26 -2.272 -2.319 -5.237 1.00 6.52 H new ATOM 0 HA VAL A 26 -2.411 0.341 -4.988 1.00 5.53 H new ATOM 0 HB VAL A 26 -1.777 -1.779 -3.121 1.00 3.86 H new ATOM 0 HG11 VAL A 26 -1.990 -0.008 -1.330 1.00 7.25 H new ATOM 0 HG12 VAL A 26 -0.556 0.260 -2.349 1.00 7.25 H new ATOM 0 HG13 VAL A 26 -2.021 1.240 -2.599 1.00 7.25 H new ATOM 0 HG21 VAL A 26 -3.986 -1.054 -2.200 1.00 8.12 H new ATOM 0 HG22 VAL A 26 -4.099 0.175 -3.482 1.00 8.12 H new ATOM 0 HG23 VAL A 26 -4.109 -1.554 -3.904 1.00 8.12 H new ATOM 417 N LYS A 27 0.650 -0.596 -4.982 1.00 2.64 N ATOM 418 CA LYS A 27 1.985 -0.088 -4.899 1.00 4.14 C ATOM 419 C LYS A 27 2.364 0.616 -6.156 1.00 5.58 C ATOM 420 O LYS A 27 3.162 1.552 -6.137 1.00 4.11 O ATOM 421 CB LYS A 27 3.066 -1.081 -4.441 1.00 3.97 C ATOM 422 CG LYS A 27 2.931 -1.566 -2.996 1.00 7.45 C ATOM 423 CD LYS A 27 3.918 -2.678 -2.638 1.00 9.02 C ATOM 424 CE LYS A 27 3.398 -4.016 -3.167 1.00 12.90 C ATOM 425 NZ LYS A 27 4.564 -4.928 -3.142 1.00 15.47 N ATOM 0 H LYS A 27 0.576 -1.601 -5.137 1.00 2.64 H new ATOM 0 HA LYS A 27 1.952 0.629 -4.079 1.00 4.14 H new ATOM 0 HB2 LYS A 27 3.045 -1.947 -5.102 1.00 3.97 H new ATOM 0 HB3 LYS A 27 4.043 -0.612 -4.561 1.00 3.97 H new ATOM 0 HG2 LYS A 27 3.083 -0.723 -2.321 1.00 7.45 H new ATOM 0 HG3 LYS A 27 1.915 -1.925 -2.834 1.00 7.45 H new ATOM 0 HD2 LYS A 27 4.896 -2.461 -3.067 1.00 9.02 H new ATOM 0 HD3 LYS A 27 4.048 -2.729 -1.557 1.00 9.02 H new ATOM 0 HE2 LYS A 27 2.588 -4.397 -2.545 1.00 12.90 H new ATOM 0 HE3 LYS A 27 3.002 -3.912 -4.177 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 4.258 -5.889 -3.395 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 5.276 -4.600 -3.826 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 4.978 -4.936 -2.188 1.00 15.47 H new ATOM 439 N ALA A 28 1.643 0.300 -7.246 1.00 6.61 N ATOM 440 CA ALA A 28 1.819 0.986 -8.489 1.00 7.74 C ATOM 441 C ALA A 28 1.179 2.331 -8.497 1.00 9.17 C ATOM 442 O ALA A 28 1.602 3.212 -9.244 1.00 11.45 O ATOM 443 CB ALA A 28 1.355 0.019 -9.591 1.00 7.68 C ATOM 0 H ALA A 28 0.935 -0.434 -7.267 1.00 6.61 H new ATOM 0 HA ALA A 28 2.864 1.237 -8.669 1.00 7.74 H new ATOM 0 HB1 ALA A 28 1.469 0.495 -10.565 1.00 7.68 H new ATOM 0 HB2 ALA A 28 1.959 -0.888 -9.558 1.00 7.68 H new ATOM 0 HB3 ALA A 28 0.307 -0.237 -9.433 1.00 7.68 H new ATOM 449 N LYS A 29 0.100 2.502 -7.713 1.00 8.96 N ATOM 450 CA LYS A 29 -0.529 3.771 -7.512 1.00 7.90 C ATOM 451 C LYS A 29 0.290 4.718 -6.704 1.00 6.92 C ATOM 452 O LYS A 29 0.230 5.929 -6.912 1.00 6.87 O ATOM 453 CB LYS A 29 -1.899 3.708 -6.816 1.00 10.28 C ATOM 454 CG LYS A 29 -2.722 2.641 -7.541 1.00 14.94 C ATOM 455 CD LYS A 29 -4.109 2.393 -6.946 1.00 19.69 C ATOM 456 CE LYS A 29 -4.663 0.980 -7.145 1.00 22.63 C ATOM 457 NZ LYS A 29 -5.368 0.830 -8.437 1.00 24.98 N ATOM 0 H LYS A 29 -0.347 1.739 -7.205 1.00 8.96 H new ATOM 0 HA LYS A 29 -0.647 4.122 -8.537 1.00 7.90 H new ATOM 0 HB2 LYS A 29 -1.784 3.456 -5.762 1.00 10.28 H new ATOM 0 HB3 LYS A 29 -2.398 4.676 -6.860 1.00 10.28 H new ATOM 0 HG2 LYS A 29 -2.836 2.936 -8.584 1.00 14.94 H new ATOM 0 HG3 LYS A 29 -2.165 1.704 -7.533 1.00 14.94 H new ATOM 0 HD2 LYS A 29 -4.071 2.603 -5.877 1.00 19.69 H new ATOM 0 HD3 LYS A 29 -4.808 3.105 -7.386 1.00 19.69 H new ATOM 0 HE2 LYS A 29 -3.845 0.261 -7.094 1.00 22.63 H new ATOM 0 HE3 LYS A 29 -5.347 0.742 -6.331 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 -5.840 -0.096 -8.469 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 -6.077 1.584 -8.535 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 -4.682 0.896 -9.216 1.00 24.98 H new ATOM 471 N ILE A 30 1.072 4.172 -5.756 1.00 4.57 N ATOM 472 CA ILE A 30 2.031 4.923 -5.008 1.00 5.58 C ATOM 473 C ILE A 30 3.160 5.318 -5.897 1.00 7.26 C ATOM 474 O ILE A 30 3.711 6.417 -5.860 1.00 9.46 O ATOM 475 CB ILE A 30 2.442 4.105 -3.820 1.00 5.36 C ATOM 476 CG1 ILE A 30 1.256 3.947 -2.853 1.00 2.94 C ATOM 477 CG2 ILE A 30 3.570 4.848 -3.085 1.00 2.78 C ATOM 478 CD1 ILE A 30 1.480 2.976 -1.695 1.00 2.00 C ATOM 0 H ILE A 30 1.037 3.184 -5.503 1.00 4.57 H new ATOM 0 HA ILE A 30 1.613 5.856 -4.629 1.00 5.58 H new ATOM 0 HB ILE A 30 2.773 3.122 -4.154 1.00 5.36 H new ATOM 0 HG12 ILE A 30 1.011 4.926 -2.442 1.00 2.94 H new ATOM 0 HG13 ILE A 30 0.388 3.614 -3.421 1.00 2.94 H new ATOM 0 HG21 ILE A 30 3.883 4.268 -2.217 1.00 2.78 H new ATOM 0 HG22 ILE A 30 4.418 4.980 -3.758 1.00 2.78 H new ATOM 0 HG23 ILE A 30 3.211 5.824 -2.759 1.00 2.78 H new ATOM 0 HD11 ILE A 30 0.585 2.938 -1.074 1.00 2.00 H new ATOM 0 HD12 ILE A 30 1.691 1.982 -2.089 1.00 2.00 H new ATOM 0 HD13 ILE A 30 2.324 3.315 -1.094 1.00 2.00 H new ATOM 490 N GLN A 31 3.518 4.444 -6.854 1.00 7.06 N ATOM 491 CA GLN A 31 4.503 4.766 -7.839 1.00 8.67 C ATOM 492 C GLN A 31 4.050 5.793 -8.819 1.00 10.90 C ATOM 493 O GLN A 31 4.864 6.528 -9.375 1.00 9.63 O ATOM 494 CB GLN A 31 5.050 3.524 -8.563 1.00 9.12 C ATOM 495 CG GLN A 31 6.347 3.800 -9.327 1.00 10.76 C ATOM 496 CD GLN A 31 6.976 2.552 -9.928 1.00 13.78 C ATOM 497 OE1 GLN A 31 6.415 1.474 -10.120 1.00 14.48 O ATOM 498 NE2 GLN A 31 8.233 2.825 -10.369 1.00 14.76 N ATOM 0 H GLN A 31 3.122 3.508 -6.946 1.00 7.06 H new ATOM 0 HA GLN A 31 5.323 5.208 -7.273 1.00 8.67 H new ATOM 0 HB2 GLN A 31 5.226 2.733 -7.834 1.00 9.12 H new ATOM 0 HB3 GLN A 31 4.297 3.155 -9.259 1.00 9.12 H new ATOM 0 HG2 GLN A 31 6.144 4.515 -10.125 1.00 10.76 H new ATOM 0 HG3 GLN A 31 7.063 4.269 -8.653 1.00 10.76 H new ATOM 0 HE21 GLN A 31 8.652 3.736 -10.183 1.00 14.76 H new ATOM 0 HE22 GLN A 31 8.757 2.119 -10.886 1.00 14.76 H new ATOM 507 N ASP A 32 2.745 5.905 -9.126 1.00 10.93 N ATOM 508 CA ASP A 32 2.205 7.004 -9.865 1.00 14.01 C ATOM 509 C ASP A 32 2.268 8.287 -9.111 1.00 14.04 C ATOM 510 O ASP A 32 2.806 9.266 -9.627 1.00 13.39 O ATOM 511 CB ASP A 32 0.781 6.658 -10.332 1.00 18.01 C ATOM 512 CG ASP A 32 0.274 7.485 -11.505 1.00 24.33 C ATOM 513 OD1 ASP A 32 0.853 7.393 -12.620 1.00 26.29 O ATOM 514 OD2 ASP A 32 -0.792 8.141 -11.360 1.00 25.17 O ATOM 0 H ASP A 32 2.047 5.213 -8.853 1.00 10.93 H new ATOM 0 HA ASP A 32 2.825 7.166 -10.747 1.00 14.01 H new ATOM 0 HB2 ASP A 32 0.751 5.604 -10.609 1.00 18.01 H new ATOM 0 HB3 ASP A 32 0.097 6.787 -9.493 1.00 18.01 H new ATOM 519 N LYS A 33 1.724 8.344 -7.882 1.00 14.22 N ATOM 520 CA LYS A 33 1.658 9.547 -7.113 1.00 14.00 C ATOM 521 C LYS A 33 3.037 10.005 -6.782 1.00 12.37 C ATOM 522 O LYS A 33 3.350 11.144 -7.127 1.00 12.17 O ATOM 523 CB LYS A 33 0.872 9.354 -5.805 1.00 18.62 C ATOM 524 CG LYS A 33 0.516 10.654 -5.081 1.00 24.00 C ATOM 525 CD LYS A 33 -0.163 11.734 -5.926 1.00 27.61 C ATOM 526 CE LYS A 33 -0.756 12.947 -5.205 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.918 14.019 -6.212 1.00 30.06 N ATOM 0 H LYS A 33 1.320 7.534 -7.412 1.00 14.22 H new ATOM 0 HA LYS A 33 1.138 10.292 -7.716 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -0.048 8.812 -6.025 1.00 18.62 H new ATOM 0 HB3 LYS A 33 1.458 8.727 -5.133 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -0.139 10.412 -4.244 1.00 24.00 H new ATOM 0 HG3 LYS A 33 1.430 11.073 -4.660 1.00 24.00 H new ATOM 0 HD2 LYS A 33 0.567 12.100 -6.649 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -0.963 11.259 -6.493 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.716 12.695 -4.754 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.100 13.273 -4.398 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -1.320 14.864 -5.758 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 0.009 14.254 -6.621 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.557 13.694 -6.966 1.00 30.06 H new ATOM 541 N GLU A 34 3.840 9.247 -6.014 1.00 10.11 N ATOM 542 CA GLU A 34 5.181 9.647 -5.721 1.00 10.07 C ATOM 543 C GLU A 34 6.241 9.242 -6.686 1.00 9.32 C ATOM 544 O GLU A 34 7.047 10.086 -7.074 1.00 11.61 O ATOM 545 CB GLU A 34 5.551 9.026 -4.363 1.00 14.77 C ATOM 546 CG GLU A 34 4.788 9.720 -3.233 1.00 18.75 C ATOM 547 CD GLU A 34 5.445 11.042 -2.863 1.00 22.28 C ATOM 548 OE1 GLU A 34 5.546 11.954 -3.727 1.00 25.19 O ATOM 549 OE2 GLU A 34 5.990 11.053 -1.728 1.00 21.95 O ATOM 0 H GLU A 34 3.561 8.359 -5.597 1.00 10.11 H new ATOM 0 HA GLU A 34 5.165 10.736 -5.755 1.00 10.07 H new ATOM 0 HB2 GLU A 34 5.318 7.961 -4.367 1.00 14.77 H new ATOM 0 HB3 GLU A 34 6.624 9.117 -4.195 1.00 14.77 H new ATOM 0 HG2 GLU A 34 3.757 9.896 -3.540 1.00 18.75 H new ATOM 0 HG3 GLU A 34 4.754 9.069 -2.359 1.00 18.75 H new ATOM 556 N GLY A 35 6.378 7.990 -7.158 1.00 7.22 N ATOM 557 CA GLY A 35 7.486 7.554 -7.951 1.00 6.29 C ATOM 558 C GLY A 35 8.582 6.873 -7.206 1.00 6.93 C ATOM 559 O GLY A 35 9.774 7.175 -7.246 1.00 7.41 O ATOM 0 H GLY A 35 5.693 7.255 -6.981 1.00 7.22 H new ATOM 0 HA2 GLY A 35 7.115 6.874 -8.718 1.00 6.29 H new ATOM 0 HA3 GLY A 35 7.904 8.419 -8.466 1.00 6.29 H new ATOM 563 N ILE A 36 8.157 5.861 -6.429 1.00 5.86 N ATOM 564 CA ILE A 36 8.940 5.174 -5.449 1.00 6.07 C ATOM 565 C ILE A 36 8.995 3.830 -6.090 1.00 6.36 C ATOM 566 O ILE A 36 7.976 3.315 -6.549 1.00 6.18 O ATOM 567 CB ILE A 36 8.302 5.209 -4.092 1.00 7.47 C ATOM 568 CG1 ILE A 36 7.989 6.649 -3.651 1.00 8.52 C ATOM 569 CG2 ILE A 36 9.231 4.548 -3.060 1.00 7.36 C ATOM 570 CD1 ILE A 36 7.292 6.789 -2.298 1.00 9.49 C ATOM 0 H ILE A 36 7.205 5.500 -6.490 1.00 5.86 H new ATOM 0 HA ILE A 36 9.922 5.592 -5.228 1.00 6.07 H new ATOM 0 HB ILE A 36 7.363 4.660 -4.152 1.00 7.47 H new ATOM 0 HG12 ILE A 36 8.922 7.211 -3.618 1.00 8.52 H new ATOM 0 HG13 ILE A 36 7.363 7.115 -4.412 1.00 8.52 H new ATOM 0 HG21 ILE A 36 8.762 4.577 -2.077 1.00 7.36 H new ATOM 0 HG22 ILE A 36 9.413 3.512 -3.345 1.00 7.36 H new ATOM 0 HG23 ILE A 36 10.178 5.086 -3.026 1.00 7.36 H new ATOM 0 HD11 ILE A 36 7.119 7.844 -2.085 1.00 9.49 H new ATOM 0 HD12 ILE A 36 6.338 6.263 -2.324 1.00 9.49 H new ATOM 0 HD13 ILE A 36 7.922 6.360 -1.518 1.00 9.49 H new ATOM 582 N PRO A 37 10.117 3.205 -6.294 1.00 8.65 N ATOM 583 CA PRO A 37 10.179 2.014 -7.089 1.00 9.18 C ATOM 584 C PRO A 37 9.572 0.887 -6.326 1.00 9.85 C ATOM 585 O PRO A 37 9.448 0.997 -5.107 1.00 8.51 O ATOM 586 CB PRO A 37 11.669 1.884 -7.399 1.00 11.42 C ATOM 587 CG PRO A 37 12.460 2.671 -6.341 1.00 9.27 C ATOM 588 CD PRO A 37 11.408 3.642 -5.783 1.00 8.33 C ATOM 0 HA PRO A 37 9.613 2.025 -8.020 1.00 9.18 H new ATOM 0 HB2 PRO A 37 11.967 0.836 -7.392 1.00 11.42 H new ATOM 0 HB3 PRO A 37 11.883 2.269 -8.396 1.00 11.42 H new ATOM 0 HG2 PRO A 37 12.859 2.017 -5.565 1.00 9.27 H new ATOM 0 HG3 PRO A 37 13.307 3.200 -6.779 1.00 9.27 H new ATOM 0 HD2 PRO A 37 11.415 3.634 -4.693 1.00 8.33 H new ATOM 0 HD3 PRO A 37 11.621 4.664 -6.096 1.00 8.33 H new ATOM 596 N PRO A 38 9.124 -0.155 -6.962 1.00 8.71 N ATOM 597 CA PRO A 38 8.077 -1.016 -6.496 1.00 9.08 C ATOM 598 C PRO A 38 8.563 -1.952 -5.443 1.00 9.28 C ATOM 599 O PRO A 38 7.754 -2.335 -4.600 1.00 6.50 O ATOM 600 CB PRO A 38 7.657 -1.878 -7.684 1.00 10.31 C ATOM 601 CG PRO A 38 8.838 -1.841 -8.667 1.00 10.81 C ATOM 602 CD PRO A 38 9.338 -0.417 -8.377 1.00 12.00 C ATOM 0 HA PRO A 38 7.272 -0.406 -6.087 1.00 9.08 H new ATOM 0 HB2 PRO A 38 7.442 -2.899 -7.369 1.00 10.31 H new ATOM 0 HB3 PRO A 38 6.750 -1.490 -8.148 1.00 10.31 H new ATOM 0 HG2 PRO A 38 9.588 -2.603 -8.455 1.00 10.81 H new ATOM 0 HG3 PRO A 38 8.529 -1.977 -9.703 1.00 10.81 H new ATOM 0 HD2 PRO A 38 10.395 -0.324 -8.628 1.00 12.00 H new ATOM 0 HD3 PRO A 38 8.800 0.309 -8.986 1.00 12.00 H new ATOM 610 N ASP A 39 9.853 -2.331 -5.464 1.00 11.20 N ATOM 611 CA ASP A 39 10.602 -3.133 -4.547 1.00 14.96 C ATOM 612 C ASP A 39 10.977 -2.284 -3.381 1.00 13.99 C ATOM 613 O ASP A 39 11.107 -2.818 -2.281 1.00 13.75 O ATOM 614 CB ASP A 39 11.833 -3.736 -5.245 1.00 24.16 C ATOM 615 CG ASP A 39 12.845 -2.730 -5.774 1.00 31.06 C ATOM 616 OD1 ASP A 39 12.435 -1.828 -6.553 1.00 34.22 O ATOM 617 OD2 ASP A 39 14.071 -2.803 -5.492 1.00 35.55 O ATOM 0 H ASP A 39 10.449 -2.030 -6.235 1.00 11.20 H new ATOM 0 HA ASP A 39 10.002 -3.971 -4.192 1.00 14.96 H new ATOM 0 HB2 ASP A 39 12.339 -4.399 -4.543 1.00 24.16 H new ATOM 0 HB3 ASP A 39 11.492 -4.353 -6.076 1.00 24.16 H new ATOM 622 N GLN A 40 11.130 -0.948 -3.421 1.00 11.60 N ATOM 623 CA GLN A 40 11.565 -0.123 -2.337 1.00 10.76 C ATOM 624 C GLN A 40 10.454 0.163 -1.385 1.00 8.01 C ATOM 625 O GLN A 40 10.597 0.323 -0.174 1.00 8.96 O ATOM 626 CB GLN A 40 12.232 1.185 -2.792 1.00 11.14 C ATOM 627 CG GLN A 40 12.691 2.200 -1.743 1.00 14.85 C ATOM 628 CD GLN A 40 13.174 3.497 -2.375 1.00 16.11 C ATOM 629 OE1 GLN A 40 12.978 4.587 -1.839 1.00 20.52 O ATOM 630 NE2 GLN A 40 14.038 3.377 -3.418 1.00 18.16 N ATOM 0 H GLN A 40 10.937 -0.410 -4.266 1.00 11.60 H new ATOM 0 HA GLN A 40 12.330 -0.702 -1.820 1.00 10.76 H new ATOM 0 HB2 GLN A 40 13.103 0.917 -3.390 1.00 11.14 H new ATOM 0 HB3 GLN A 40 11.534 1.694 -3.456 1.00 11.14 H new ATOM 0 HG2 GLN A 40 11.868 2.414 -1.061 1.00 14.85 H new ATOM 0 HG3 GLN A 40 13.494 1.767 -1.147 1.00 14.85 H new ATOM 0 HE21 GLN A 40 14.190 2.467 -3.852 1.00 18.16 H new ATOM 0 HE22 GLN A 40 14.534 4.197 -3.766 1.00 18.16 H new ATOM 639 N GLN A 41 9.224 0.131 -1.929 1.00 6.52 N ATOM 640 CA GLN A 41 7.986 0.262 -1.226 1.00 3.87 C ATOM 641 C GLN A 41 7.718 -0.961 -0.418 1.00 4.79 C ATOM 642 O GLN A 41 7.793 -2.110 -0.851 1.00 6.34 O ATOM 643 CB GLN A 41 6.794 0.540 -2.156 1.00 4.20 C ATOM 644 CG GLN A 41 6.862 1.934 -2.783 1.00 3.20 C ATOM 645 CD GLN A 41 5.675 2.010 -3.732 1.00 4.89 C ATOM 646 OE1 GLN A 41 4.542 1.770 -3.318 1.00 5.21 O ATOM 647 NE2 GLN A 41 5.934 2.203 -5.053 1.00 7.13 N ATOM 0 H GLN A 41 9.087 0.004 -2.932 1.00 6.52 H new ATOM 0 HA GLN A 41 8.092 1.127 -0.571 1.00 3.87 H new ATOM 0 HB2 GLN A 41 6.769 -0.211 -2.946 1.00 4.20 H new ATOM 0 HB3 GLN A 41 5.866 0.442 -1.593 1.00 4.20 H new ATOM 0 HG2 GLN A 41 6.805 2.711 -2.020 1.00 3.20 H new ATOM 0 HG3 GLN A 41 7.801 2.079 -3.317 1.00 3.20 H new ATOM 0 HE21 GLN A 41 6.886 2.400 -5.363 1.00 7.13 H new ATOM 0 HE22 GLN A 41 5.177 2.150 -5.734 1.00 7.13 H new ATOM 656 N ARG A 42 7.222 -0.763 0.817 1.00 5.73 N ATOM 657 CA ARG A 42 6.560 -1.784 1.568 1.00 6.97 C ATOM 658 C ARG A 42 5.416 -1.215 2.335 1.00 7.15 C ATOM 659 O ARG A 42 5.575 -0.132 2.897 1.00 7.33 O ATOM 660 CB ARG A 42 7.583 -2.593 2.382 1.00 13.23 C ATOM 661 CG ARG A 42 7.040 -3.611 3.387 1.00 21.27 C ATOM 662 CD ARG A 42 8.121 -4.192 4.300 1.00 26.14 C ATOM 663 NE ARG A 42 8.778 -5.312 3.568 1.00 32.26 N ATOM 664 CZ ARG A 42 9.661 -6.103 4.244 1.00 34.32 C ATOM 665 NH1 ARG A 42 10.450 -5.730 5.294 1.00 35.30 N ATOM 666 NH2 ARG A 42 9.697 -7.413 3.863 1.00 36.39 N ATOM 0 H ARG A 42 7.283 0.130 1.306 1.00 5.73 H new ATOM 0 HA ARG A 42 6.098 -2.514 0.903 1.00 6.97 H new ATOM 0 HB2 ARG A 42 8.227 -3.123 1.681 1.00 13.23 H new ATOM 0 HB3 ARG A 42 8.214 -1.889 2.924 1.00 13.23 H new ATOM 0 HG2 ARG A 42 6.274 -3.135 3.999 1.00 21.27 H new ATOM 0 HG3 ARG A 42 6.556 -4.424 2.846 1.00 21.27 H new ATOM 0 HD2 ARG A 42 8.851 -3.427 4.563 1.00 26.14 H new ATOM 0 HD3 ARG A 42 7.683 -4.549 5.232 1.00 26.14 H new ATOM 0 HE ARG A 42 8.572 -5.483 2.584 1.00 32.26 H new ATOM 0 HH11 ARG A 42 10.412 -4.773 5.646 1.00 35.30 H new ATOM 0 HH12 ARG A 42 11.077 -6.408 5.727 1.00 35.30 H new ATOM 0 HH21 ARG A 42 9.087 -7.744 3.115 1.00 36.39 H new ATOM 0 HH22 ARG A 42 10.334 -8.061 4.326 1.00 36.39 H new ATOM 680 N LEU A 43 4.232 -1.849 2.406 1.00 4.65 N ATOM 681 CA LEU A 43 3.133 -1.332 3.160 1.00 3.51 C ATOM 682 C LEU A 43 2.939 -2.071 4.439 1.00 5.56 C ATOM 683 O LEU A 43 2.936 -3.294 4.562 1.00 4.19 O ATOM 684 CB LEU A 43 1.817 -1.301 2.365 1.00 3.74 C ATOM 685 CG LEU A 43 1.879 -0.290 1.208 1.00 6.32 C ATOM 686 CD1 LEU A 43 0.621 -0.614 0.384 1.00 6.41 C ATOM 687 CD2 LEU A 43 1.952 1.179 1.655 1.00 9.55 C ATOM 0 H LEU A 43 4.035 -2.732 1.934 1.00 4.65 H new ATOM 0 HA LEU A 43 3.401 -0.300 3.389 1.00 3.51 H new ATOM 0 HB2 LEU A 43 1.606 -2.295 1.970 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.994 -1.042 3.032 1.00 3.74 H new ATOM 0 HG LEU A 43 2.799 -0.389 0.632 1.00 6.32 H new ATOM 0 HD11 LEU A 43 0.566 0.055 -0.475 1.00 6.41 H new ATOM 0 HD12 LEU A 43 0.669 -1.646 0.037 1.00 6.41 H new ATOM 0 HD13 LEU A 43 -0.265 -0.481 1.005 1.00 6.41 H new ATOM 0 HD21 LEU A 43 1.993 1.825 0.778 1.00 9.55 H new ATOM 0 HD22 LEU A 43 1.069 1.424 2.245 1.00 9.55 H new ATOM 0 HD23 LEU A 43 2.846 1.331 2.259 1.00 9.55 H new ATOM 699 N ILE A 44 2.726 -1.265 5.495 1.00 4.58 N ATOM 700 CA ILE A 44 2.188 -1.758 6.724 1.00 5.55 C ATOM 701 C ILE A 44 0.812 -1.235 6.951 1.00 5.46 C ATOM 702 O ILE A 44 0.592 -0.050 6.702 1.00 6.04 O ATOM 703 CB ILE A 44 3.055 -1.432 7.904 1.00 6.80 C ATOM 704 CG1 ILE A 44 4.556 -1.668 7.665 1.00 10.31 C ATOM 705 CG2 ILE A 44 2.676 -2.185 9.191 1.00 7.39 C ATOM 706 CD1 ILE A 44 5.041 -3.090 7.383 1.00 13.90 C ATOM 0 H ILE A 44 2.928 -0.265 5.496 1.00 4.58 H new ATOM 0 HA ILE A 44 2.152 -2.843 6.630 1.00 5.55 H new ATOM 0 HB ILE A 44 2.867 -0.366 8.035 1.00 6.80 H new ATOM 0 HG12 ILE A 44 4.859 -1.043 6.825 1.00 10.31 H new ATOM 0 HG13 ILE A 44 5.091 -1.304 8.542 1.00 10.31 H new ATOM 0 HG21 ILE A 44 3.351 -1.893 9.996 1.00 7.39 H new ATOM 0 HG22 ILE A 44 1.651 -1.938 9.469 1.00 7.39 H new ATOM 0 HG23 ILE A 44 2.757 -3.259 9.022 1.00 7.39 H new ATOM 0 HD11 ILE A 44 6.121 -3.084 7.238 1.00 13.90 H new ATOM 0 HD12 ILE A 44 4.792 -3.733 8.227 1.00 13.90 H new ATOM 0 HD13 ILE A 44 4.556 -3.468 6.483 1.00 13.90 H new ATOM 718 N PHE A 45 -0.129 -2.062 7.442 1.00 6.75 N ATOM 719 CA PHE A 45 -1.409 -1.671 7.944 1.00 4.70 C ATOM 720 C PHE A 45 -1.243 -0.944 9.235 1.00 6.34 C ATOM 721 O PHE A 45 -1.014 0.264 9.256 1.00 5.45 O ATOM 722 CB PHE A 45 -2.496 -2.758 7.909 1.00 5.51 C ATOM 723 CG PHE A 45 -3.905 -2.431 8.265 1.00 5.98 C ATOM 724 CD1 PHE A 45 -4.422 -1.180 8.023 1.00 5.87 C ATOM 725 CD2 PHE A 45 -4.732 -3.411 8.761 1.00 6.86 C ATOM 726 CE1 PHE A 45 -5.729 -0.857 8.303 1.00 6.64 C ATOM 727 CE2 PHE A 45 -6.066 -3.121 8.929 1.00 6.68 C ATOM 728 CZ PHE A 45 -6.578 -1.867 8.692 1.00 6.84 C ATOM 0 H PHE A 45 0.016 -3.071 7.491 1.00 6.75 H new ATOM 0 HA PHE A 45 -1.840 -0.962 7.237 1.00 4.70 H new ATOM 0 HB2 PHE A 45 -2.507 -3.170 6.900 1.00 5.51 H new ATOM 0 HB3 PHE A 45 -2.173 -3.557 8.576 1.00 5.51 H new ATOM 0 HD1 PHE A 45 -3.778 -0.424 7.598 1.00 5.87 H new ATOM 0 HD2 PHE A 45 -4.343 -4.386 9.013 1.00 6.86 H new ATOM 0 HE1 PHE A 45 -6.079 0.161 8.220 1.00 6.64 H new ATOM 0 HE2 PHE A 45 -6.733 -3.904 9.258 1.00 6.68 H new ATOM 0 HZ PHE A 45 -7.635 -1.677 8.810 1.00 6.84 H new ATOM 738 N ALA A 46 -1.212 -1.678 10.361 1.00 6.53 N ATOM 739 CA ALA A 46 -0.775 -1.176 11.626 1.00 7.15 C ATOM 740 C ALA A 46 0.536 -1.799 11.965 1.00 9.00 C ATOM 741 O ALA A 46 1.558 -1.114 11.970 1.00 11.15 O ATOM 742 CB ALA A 46 -1.876 -1.403 12.676 1.00 8.99 C ATOM 0 H ALA A 46 -1.501 -2.656 10.392 1.00 6.53 H new ATOM 0 HA ALA A 46 -0.608 -0.099 11.597 1.00 7.15 H new ATOM 0 HB1 ALA A 46 -1.543 -1.020 13.641 1.00 8.99 H new ATOM 0 HB2 ALA A 46 -2.783 -0.880 12.371 1.00 8.99 H new ATOM 0 HB3 ALA A 46 -2.084 -2.470 12.761 1.00 8.99 H new ATOM 748 N GLY A 47 0.515 -3.134 12.121 1.00 9.35 N ATOM 749 CA GLY A 47 1.645 -3.967 12.393 1.00 11.68 C ATOM 750 C GLY A 47 1.794 -5.001 11.330 1.00 11.14 C ATOM 751 O GLY A 47 2.884 -5.535 11.128 1.00 13.93 O ATOM 0 H GLY A 47 -0.352 -3.668 12.052 1.00 9.35 H new ATOM 0 HA2 GLY A 47 2.548 -3.359 12.448 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.525 -4.448 13.364 1.00 11.68 H new ATOM 755 N LYS A 48 0.696 -5.355 10.639 1.00 10.47 N ATOM 756 CA LYS A 48 0.712 -6.364 9.626 1.00 8.82 C ATOM 757 C LYS A 48 1.379 -5.776 8.431 1.00 7.68 C ATOM 758 O LYS A 48 0.974 -4.704 7.985 1.00 6.47 O ATOM 759 CB LYS A 48 -0.734 -6.611 9.163 1.00 9.74 C ATOM 760 CG LYS A 48 -0.875 -7.749 8.149 1.00 14.14 C ATOM 761 CD LYS A 48 -0.188 -9.083 8.446 1.00 16.32 C ATOM 762 CE LYS A 48 -0.576 -9.829 9.724 1.00 20.04 C ATOM 763 NZ LYS A 48 -1.643 -10.841 9.555 1.00 23.92 N ATOM 0 H LYS A 48 -0.221 -4.932 10.787 1.00 10.47 H new ATOM 0 HA LYS A 48 1.195 -7.265 10.005 1.00 8.82 H new ATOM 0 HB2 LYS A 48 -1.351 -6.835 10.034 1.00 9.74 H new ATOM 0 HB3 LYS A 48 -1.126 -5.694 8.722 1.00 9.74 H new ATOM 0 HG2 LYS A 48 -1.939 -7.946 8.019 1.00 14.14 H new ATOM 0 HG3 LYS A 48 -0.498 -7.388 7.192 1.00 14.14 H new ATOM 0 HD2 LYS A 48 -0.375 -9.748 7.603 1.00 16.32 H new ATOM 0 HD3 LYS A 48 0.887 -8.904 8.479 1.00 16.32 H new ATOM 0 HE2 LYS A 48 0.311 -10.321 10.124 1.00 20.04 H new ATOM 0 HE3 LYS A 48 -0.900 -9.101 10.468 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 -1.840 -11.294 10.470 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 -2.507 -10.380 9.205 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 -1.333 -11.561 8.871 1.00 23.92 H new ATOM 777 N GLN A 49 2.445 -6.476 8.002 1.00 8.89 N ATOM 778 CA GLN A 49 3.063 -6.327 6.721 1.00 7.18 C ATOM 779 C GLN A 49 2.187 -6.855 5.637 1.00 8.23 C ATOM 780 O GLN A 49 1.739 -7.996 5.736 1.00 9.70 O ATOM 781 CB GLN A 49 4.496 -6.846 6.519 1.00 11.67 C ATOM 782 CG GLN A 49 4.792 -8.317 6.815 1.00 15.82 C ATOM 783 CD GLN A 49 6.220 -8.726 6.482 1.00 20.21 C ATOM 784 OE1 GLN A 49 7.012 -7.844 6.152 1.00 23.23 O ATOM 785 NE2 GLN A 49 6.580 -10.017 6.709 1.00 20.67 N ATOM 0 H GLN A 49 2.899 -7.183 8.580 1.00 8.89 H new ATOM 0 HA GLN A 49 3.182 -5.245 6.671 1.00 7.18 H new ATOM 0 HB2 GLN A 49 4.774 -6.655 5.483 1.00 11.67 H new ATOM 0 HB3 GLN A 49 5.157 -6.244 7.142 1.00 11.67 H new ATOM 0 HG2 GLN A 49 4.603 -8.513 7.870 1.00 15.82 H new ATOM 0 HG3 GLN A 49 4.102 -8.940 6.247 1.00 15.82 H new ATOM 0 HE21 GLN A 49 5.875 -10.703 6.981 1.00 20.67 H new ATOM 0 HE22 GLN A 49 7.555 -10.300 6.608 1.00 20.67 H new ATOM 794 N LEU A 50 1.774 -6.094 4.608 1.00 6.51 N ATOM 795 CA LEU A 50 0.793 -6.559 3.679 1.00 7.41 C ATOM 796 C LEU A 50 1.431 -7.151 2.470 1.00 8.27 C ATOM 797 O LEU A 50 2.526 -6.704 2.132 1.00 8.34 O ATOM 798 CB LEU A 50 -0.050 -5.374 3.179 1.00 7.13 C ATOM 799 CG LEU A 50 -0.779 -4.602 4.293 1.00 7.53 C ATOM 800 CD1 LEU A 50 -1.427 -3.355 3.670 1.00 9.11 C ATOM 801 CD2 LEU A 50 -1.936 -5.482 4.794 1.00 8.14 C ATOM 0 H LEU A 50 2.121 -5.154 4.419 1.00 6.51 H new ATOM 0 HA LEU A 50 0.189 -7.304 4.198 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.598 -4.684 2.639 1.00 7.13 H new ATOM 0 HB3 LEU A 50 -0.787 -5.743 2.466 1.00 7.13 H new ATOM 0 HG LEU A 50 -0.084 -4.341 5.091 1.00 7.53 H new ATOM 0 HD11 LEU A 50 -1.950 -2.792 4.443 1.00 9.11 H new ATOM 0 HD12 LEU A 50 -0.655 -2.728 3.224 1.00 9.11 H new ATOM 0 HD13 LEU A 50 -2.136 -3.660 2.900 1.00 9.11 H new ATOM 0 HD21 LEU A 50 -2.473 -4.961 5.586 1.00 8.14 H new ATOM 0 HD22 LEU A 50 -2.618 -5.690 3.970 1.00 8.14 H new ATOM 0 HD23 LEU A 50 -1.538 -6.420 5.182 1.00 8.14 H new ATOM 813 N GLU A 51 0.767 -8.128 1.826 1.00 9.43 N ATOM 814 CA GLU A 51 1.299 -8.960 0.791 1.00 11.90 C ATOM 815 C GLU A 51 0.600 -8.896 -0.523 1.00 11.49 C ATOM 816 O GLU A 51 -0.615 -8.901 -0.712 1.00 9.88 O ATOM 817 CB GLU A 51 1.472 -10.388 1.334 1.00 16.56 C ATOM 818 CG GLU A 51 2.471 -11.274 0.586 1.00 26.06 C ATOM 819 CD GLU A 51 2.402 -12.727 1.037 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.297 -13.323 0.932 1.00 33.44 O ATOM 821 OE2 GLU A 51 3.504 -13.151 1.476 1.00 32.13 O ATOM 0 H GLU A 51 -0.204 -8.351 2.043 1.00 9.43 H new ATOM 0 HA GLU A 51 2.276 -8.552 0.530 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.783 -10.324 2.377 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.500 -10.880 1.322 1.00 16.56 H new ATOM 0 HG2 GLU A 51 2.273 -11.218 -0.484 1.00 26.06 H new ATOM 0 HG3 GLU A 51 3.480 -10.894 0.744 1.00 26.06 H new ATOM 828 N ASP A 52 1.362 -8.939 -1.631 1.00 12.71 N ATOM 829 CA ASP A 52 1.103 -8.482 -2.961 1.00 16.56 C ATOM 830 C ASP A 52 -0.172 -9.012 -3.519 1.00 15.83 C ATOM 831 O ASP A 52 -0.920 -8.103 -3.878 1.00 17.21 O ATOM 832 CB ASP A 52 2.173 -8.795 -4.020 1.00 21.05 C ATOM 833 CG ASP A 52 3.468 -8.452 -3.296 1.00 25.12 C ATOM 834 OD1 ASP A 52 3.927 -9.235 -2.423 1.00 28.37 O ATOM 835 OD2 ASP A 52 4.210 -7.503 -3.665 1.00 25.82 O ATOM 0 H ASP A 52 2.292 -9.355 -1.580 1.00 12.71 H new ATOM 0 HA ASP A 52 1.077 -7.405 -2.798 1.00 16.56 H new ATOM 0 HB2 ASP A 52 2.145 -9.840 -4.327 1.00 21.05 H new ATOM 0 HB3 ASP A 52 2.040 -8.194 -4.920 1.00 21.05 H new ATOM 840 N GLY A 53 -0.496 -10.317 -3.558 1.00 15.00 N ATOM 841 CA GLY A 53 -1.610 -10.864 -4.267 1.00 11.77 C ATOM 842 C GLY A 53 -2.858 -11.008 -3.466 1.00 11.10 C ATOM 843 O GLY A 53 -3.729 -11.811 -3.798 1.00 11.25 O ATOM 0 H GLY A 53 0.049 -11.027 -3.069 1.00 15.00 H new ATOM 0 HA2 GLY A 53 -1.820 -10.230 -5.128 1.00 11.77 H new ATOM 0 HA3 GLY A 53 -1.330 -11.844 -4.654 1.00 11.77 H new ATOM 847 N ARG A 54 -3.037 -10.124 -2.468 1.00 8.53 N ATOM 848 CA ARG A 54 -4.166 -10.020 -1.598 1.00 9.05 C ATOM 849 C ARG A 54 -4.854 -8.720 -1.836 1.00 8.96 C ATOM 850 O ARG A 54 -4.186 -7.726 -2.119 1.00 11.60 O ATOM 851 CB ARG A 54 -3.843 -10.179 -0.103 1.00 7.97 C ATOM 852 CG ARG A 54 -3.327 -11.590 0.186 1.00 9.62 C ATOM 853 CD ARG A 54 -3.160 -12.017 1.646 1.00 12.20 C ATOM 854 NE ARG A 54 -2.851 -13.474 1.643 1.00 18.23 N ATOM 855 CZ ARG A 54 -3.783 -14.377 2.065 1.00 22.08 C ATOM 856 NH1 ARG A 54 -5.074 -14.118 2.426 1.00 23.38 N ATOM 857 NH2 ARG A 54 -3.514 -15.713 1.985 1.00 25.50 N ATOM 0 H ARG A 54 -2.329 -9.422 -2.253 1.00 8.53 H new ATOM 0 HA ARG A 54 -4.815 -10.860 -1.844 1.00 9.05 H new ATOM 0 HB2 ARG A 54 -3.095 -9.444 0.194 1.00 7.97 H new ATOM 0 HB3 ARG A 54 -4.736 -9.983 0.491 1.00 7.97 H new ATOM 0 HG2 ARG A 54 -4.006 -12.296 -0.291 1.00 9.62 H new ATOM 0 HG3 ARG A 54 -2.359 -11.697 -0.304 1.00 9.62 H new ATOM 0 HD2 ARG A 54 -2.358 -11.454 2.123 1.00 12.20 H new ATOM 0 HD3 ARG A 54 -4.070 -11.817 2.212 1.00 12.20 H new ATOM 0 HE ARG A 54 -1.938 -13.798 1.324 1.00 18.23 H new ATOM 0 HH11 ARG A 54 -5.430 -13.163 2.395 1.00 23.38 H new ATOM 0 HH12 ARG A 54 -5.682 -14.880 2.727 1.00 23.38 H new ATOM 0 HH21 ARG A 54 -2.620 -16.032 1.611 1.00 25.50 H new ATOM 0 HH22 ARG A 54 -4.207 -16.392 2.299 1.00 25.50 H new ATOM 871 N THR A 55 -6.188 -8.623 -1.695 1.00 9.05 N ATOM 872 CA THR A 55 -7.041 -7.488 -1.859 1.00 9.03 C ATOM 873 C THR A 55 -7.294 -6.782 -0.571 1.00 8.15 C ATOM 874 O THR A 55 -6.951 -7.202 0.533 1.00 5.91 O ATOM 875 CB THR A 55 -8.358 -7.712 -2.543 1.00 11.15 C ATOM 876 OG1 THR A 55 -9.048 -8.690 -1.780 1.00 11.95 O ATOM 877 CG2 THR A 55 -8.165 -8.375 -3.917 1.00 11.71 C ATOM 0 H THR A 55 -6.732 -9.446 -1.433 1.00 9.05 H new ATOM 0 HA THR A 55 -6.453 -6.875 -2.542 1.00 9.03 H new ATOM 0 HB THR A 55 -8.868 -6.754 -2.641 1.00 11.15 H new ATOM 0 HG1 THR A 55 -9.920 -8.869 -2.190 1.00 11.95 H new ATOM 0 HG21 THR A 55 -9.136 -8.525 -4.388 1.00 11.71 H new ATOM 0 HG22 THR A 55 -7.551 -7.733 -4.548 1.00 11.71 H new ATOM 0 HG23 THR A 55 -7.671 -9.338 -3.790 1.00 11.71 H new ATOM 885 N LEU A 56 -7.968 -5.622 -0.668 1.00 6.91 N ATOM 886 CA LEU A 56 -8.171 -4.752 0.449 1.00 8.29 C ATOM 887 C LEU A 56 -9.403 -5.271 1.107 1.00 8.05 C ATOM 888 O LEU A 56 -9.606 -5.110 2.310 1.00 10.17 O ATOM 889 CB LEU A 56 -8.346 -3.286 0.017 1.00 6.60 C ATOM 890 CG LEU A 56 -7.028 -2.803 -0.612 1.00 7.73 C ATOM 891 CD1 LEU A 56 -7.290 -1.568 -1.491 1.00 8.64 C ATOM 892 CD2 LEU A 56 -5.990 -2.465 0.472 1.00 9.85 C ATOM 0 H LEU A 56 -8.379 -5.282 -1.537 1.00 6.91 H new ATOM 0 HA LEU A 56 -7.310 -4.748 1.118 1.00 8.29 H new ATOM 0 HB2 LEU A 56 -9.163 -3.197 -0.699 1.00 6.60 H new ATOM 0 HB3 LEU A 56 -8.606 -2.666 0.875 1.00 6.60 H new ATOM 0 HG LEU A 56 -6.628 -3.608 -1.228 1.00 7.73 H new ATOM 0 HD11 LEU A 56 -6.353 -1.231 -1.933 1.00 8.64 H new ATOM 0 HD12 LEU A 56 -7.993 -1.828 -2.283 1.00 8.64 H new ATOM 0 HD13 LEU A 56 -7.711 -0.769 -0.880 1.00 8.64 H new ATOM 0 HD21 LEU A 56 -5.068 -2.126 -0.000 1.00 9.85 H new ATOM 0 HD22 LEU A 56 -6.379 -1.676 1.115 1.00 9.85 H new ATOM 0 HD23 LEU A 56 -5.786 -3.353 1.070 1.00 9.85 H new ATOM 904 N SER A 57 -10.215 -6.079 0.403 1.00 8.92 N ATOM 905 CA SER A 57 -11.305 -6.852 0.912 1.00 9.00 C ATOM 906 C SER A 57 -10.793 -7.960 1.767 1.00 9.44 C ATOM 907 O SER A 57 -11.408 -8.204 2.804 1.00 10.91 O ATOM 908 CB SER A 57 -11.965 -7.547 -0.291 1.00 10.32 C ATOM 909 OG SER A 57 -13.360 -7.736 -0.103 1.00 13.59 O ATOM 0 H SER A 57 -10.099 -6.200 -0.603 1.00 8.92 H new ATOM 0 HA SER A 57 -11.977 -6.202 1.472 1.00 9.00 H new ATOM 0 HB2 SER A 57 -11.799 -6.951 -1.189 1.00 10.32 H new ATOM 0 HB3 SER A 57 -11.488 -8.513 -0.457 1.00 10.32 H new ATOM 0 HG SER A 57 -13.739 -8.179 -0.891 1.00 13.59 H new ATOM 915 N ASP A 58 -9.706 -8.655 1.387 1.00 9.11 N ATOM 916 CA ASP A 58 -9.119 -9.770 2.063 1.00 7.91 C ATOM 917 C ASP A 58 -8.552 -9.403 3.391 1.00 9.12 C ATOM 918 O ASP A 58 -8.646 -10.148 4.366 1.00 8.61 O ATOM 919 CB ASP A 58 -8.041 -10.298 1.102 1.00 8.41 C ATOM 920 CG ASP A 58 -7.710 -11.742 1.452 1.00 11.50 C ATOM 921 OD1 ASP A 58 -8.619 -12.608 1.343 1.00 11.70 O ATOM 922 OD2 ASP A 58 -6.589 -12.078 1.921 1.00 10.05 O ATOM 0 H ASP A 58 -9.197 -8.416 0.536 1.00 9.11 H new ATOM 0 HA ASP A 58 -9.866 -10.530 2.293 1.00 7.91 H new ATOM 0 HB2 ASP A 58 -8.394 -10.234 0.073 1.00 8.41 H new ATOM 0 HB3 ASP A 58 -7.145 -9.682 1.170 1.00 8.41 H new ATOM 927 N TYR A 59 -7.878 -8.242 3.474 1.00 7.97 N ATOM 928 CA TYR A 59 -7.482 -7.851 4.791 1.00 8.45 C ATOM 929 C TYR A 59 -8.537 -7.246 5.652 1.00 10.98 C ATOM 930 O TYR A 59 -8.554 -7.331 6.879 1.00 12.95 O ATOM 931 CB TYR A 59 -6.321 -6.843 4.743 1.00 7.94 C ATOM 932 CG TYR A 59 -5.126 -7.582 4.247 1.00 6.91 C ATOM 933 CD1 TYR A 59 -4.363 -8.328 5.113 1.00 6.98 C ATOM 934 CD2 TYR A 59 -4.726 -7.308 2.960 1.00 4.59 C ATOM 935 CE1 TYR A 59 -3.222 -8.933 4.641 1.00 6.52 C ATOM 936 CE2 TYR A 59 -3.569 -7.878 2.481 1.00 5.39 C ATOM 937 CZ TYR A 59 -2.846 -8.666 3.346 1.00 6.76 C ATOM 938 OH TYR A 59 -1.641 -9.266 2.924 1.00 7.63 O ATOM 0 H TYR A 59 -7.624 -7.621 2.705 1.00 7.97 H new ATOM 0 HA TYR A 59 -7.204 -8.803 5.243 1.00 8.45 H new ATOM 0 HB2 TYR A 59 -6.561 -6.009 4.083 1.00 7.94 H new ATOM 0 HB3 TYR A 59 -6.133 -6.423 5.731 1.00 7.94 H new ATOM 0 HD1 TYR A 59 -4.655 -8.437 6.147 1.00 6.98 H new ATOM 0 HD2 TYR A 59 -5.313 -6.653 2.333 1.00 4.59 H new ATOM 0 HE1 TYR A 59 -2.641 -9.595 5.266 1.00 6.52 H new ATOM 0 HE2 TYR A 59 -3.241 -7.713 1.465 1.00 5.39 H new ATOM 0 HH TYR A 59 -1.387 -9.971 3.556 1.00 7.63 H new ATOM 948 N ASN A 60 -9.508 -6.593 4.989 1.00 12.38 N ATOM 949 CA ASN A 60 -10.526 -5.722 5.488 1.00 13.94 C ATOM 950 C ASN A 60 -9.996 -4.382 5.867 1.00 14.16 C ATOM 951 O ASN A 60 -10.110 -3.876 6.982 1.00 14.26 O ATOM 952 CB ASN A 60 -11.470 -6.285 6.565 1.00 19.23 C ATOM 953 CG ASN A 60 -12.816 -5.581 6.657 1.00 22.65 C ATOM 954 OD1 ASN A 60 -13.592 -5.382 5.723 1.00 25.45 O ATOM 955 ND2 ASN A 60 -13.292 -5.398 7.917 1.00 24.09 N ATOM 0 H ASN A 60 -9.585 -6.691 3.977 1.00 12.38 H new ATOM 0 HA ASN A 60 -11.177 -5.613 4.621 1.00 13.94 H new ATOM 0 HB2 ASN A 60 -11.641 -7.342 6.363 1.00 19.23 H new ATOM 0 HB3 ASN A 60 -10.974 -6.221 7.534 1.00 19.23 H new ATOM 0 HD21 ASN A 60 -14.259 -5.107 8.060 1.00 24.09 H new ATOM 0 HD22 ASN A 60 -12.682 -5.552 8.720 1.00 24.09 H new ATOM 962 N ILE A 61 -9.354 -3.755 4.865 1.00 11.08 N ATOM 963 CA ILE A 61 -8.894 -2.402 4.846 1.00 11.78 C ATOM 964 C ILE A 61 -9.934 -1.667 4.073 1.00 13.74 C ATOM 965 O ILE A 61 -10.061 -1.866 2.866 1.00 14.60 O ATOM 966 CB ILE A 61 -7.519 -2.055 4.355 1.00 11.80 C ATOM 967 CG1 ILE A 61 -6.554 -3.016 5.068 1.00 11.56 C ATOM 968 CG2 ILE A 61 -7.301 -0.553 4.609 1.00 13.29 C ATOM 969 CD1 ILE A 61 -5.158 -2.920 4.452 1.00 11.42 C ATOM 0 H ILE A 61 -9.139 -4.239 3.993 1.00 11.08 H new ATOM 0 HA ILE A 61 -8.764 -2.123 5.892 1.00 11.78 H new ATOM 0 HB ILE A 61 -7.355 -2.189 3.286 1.00 11.80 H new ATOM 0 HG12 ILE A 61 -6.508 -2.774 6.130 1.00 11.56 H new ATOM 0 HG13 ILE A 61 -6.924 -4.038 4.990 1.00 11.56 H new ATOM 0 HG21 ILE A 61 -6.308 -0.266 4.263 1.00 13.29 H new ATOM 0 HG22 ILE A 61 -8.054 0.020 4.068 1.00 13.29 H new ATOM 0 HG23 ILE A 61 -7.386 -0.348 5.676 1.00 13.29 H new ATOM 0 HD11 ILE A 61 -4.485 -3.606 4.967 1.00 11.42 H new ATOM 0 HD12 ILE A 61 -5.207 -3.185 3.396 1.00 11.42 H new ATOM 0 HD13 ILE A 61 -4.785 -1.901 4.554 1.00 11.42 H new ATOM 981 N GLN A 62 -10.837 -0.931 4.745 1.00 13.97 N ATOM 982 CA GLN A 62 -11.998 -0.282 4.218 1.00 15.52 C ATOM 983 C GLN A 62 -11.678 1.161 4.035 1.00 13.94 C ATOM 984 O GLN A 62 -10.550 1.599 3.811 1.00 12.15 O ATOM 985 CB GLN A 62 -13.213 -0.443 5.147 1.00 19.53 C ATOM 986 CG GLN A 62 -13.402 -1.804 5.820 1.00 26.38 C ATOM 987 CD GLN A 62 -14.474 -1.673 6.893 1.00 30.61 C ATOM 988 OE1 GLN A 62 -14.212 -1.078 7.937 1.00 33.23 O ATOM 989 NE2 GLN A 62 -15.706 -2.216 6.707 1.00 32.71 N ATOM 0 H GLN A 62 -10.744 -0.777 5.749 1.00 13.97 H new ATOM 0 HA GLN A 62 -12.263 -0.742 3.266 1.00 15.52 H new ATOM 0 HB2 GLN A 62 -13.144 0.314 5.928 1.00 19.53 H new ATOM 0 HB3 GLN A 62 -14.111 -0.224 4.570 1.00 19.53 H new ATOM 0 HG2 GLN A 62 -13.694 -2.552 5.083 1.00 26.38 H new ATOM 0 HG3 GLN A 62 -12.464 -2.141 6.262 1.00 26.38 H new ATOM 0 HE21 GLN A 62 -15.921 -2.709 5.840 1.00 32.71 H new ATOM 0 HE22 GLN A 62 -16.416 -2.131 7.434 1.00 32.71 H new ATOM 998 N LYS A 63 -12.689 2.048 4.022 1.00 11.73 N ATOM 999 CA LYS A 63 -12.525 3.468 3.962 1.00 11.97 C ATOM 1000 C LYS A 63 -11.799 4.166 5.060 1.00 10.41 C ATOM 1001 O LYS A 63 -11.718 3.703 6.197 1.00 9.59 O ATOM 1002 CB LYS A 63 -13.924 4.067 3.741 1.00 13.73 C ATOM 1003 CG LYS A 63 -14.853 3.745 4.914 1.00 16.98 C ATOM 1004 CD LYS A 63 -16.256 4.354 4.925 1.00 20.19 C ATOM 1005 CE LYS A 63 -17.292 3.702 5.843 1.00 23.42 C ATOM 1006 NZ LYS A 63 -18.669 4.221 5.686 1.00 25.97 N ATOM 0 H LYS A 63 -13.667 1.762 4.055 1.00 11.73 H new ATOM 0 HA LYS A 63 -11.830 3.642 3.140 1.00 11.97 H new ATOM 0 HB2 LYS A 63 -13.846 5.148 3.621 1.00 13.73 H new ATOM 0 HB3 LYS A 63 -14.349 3.674 2.818 1.00 13.73 H new ATOM 0 HG2 LYS A 63 -14.962 2.662 4.962 1.00 16.98 H new ATOM 0 HG3 LYS A 63 -14.350 4.056 5.830 1.00 16.98 H new ATOM 0 HD2 LYS A 63 -16.167 5.403 5.207 1.00 20.19 H new ATOM 0 HD3 LYS A 63 -16.643 4.329 3.906 1.00 20.19 H new ATOM 0 HE2 LYS A 63 -17.299 2.628 5.656 1.00 23.42 H new ATOM 0 HE3 LYS A 63 -16.981 3.843 6.878 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 -19.304 3.725 6.344 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 -18.682 5.240 5.894 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 -18.990 4.063 4.710 1.00 25.97 H new ATOM 1020 N GLU A 64 -11.270 5.366 4.761 1.00 10.04 N ATOM 1021 CA GLU A 64 -10.854 6.294 5.766 1.00 10.94 C ATOM 1022 C GLU A 64 -9.613 5.860 6.468 1.00 9.74 C ATOM 1023 O GLU A 64 -9.299 6.409 7.522 1.00 9.42 O ATOM 1024 CB GLU A 64 -11.990 6.731 6.706 1.00 18.31 C ATOM 1025 CG GLU A 64 -13.279 7.273 6.086 1.00 24.16 C ATOM 1026 CD GLU A 64 -13.064 8.478 5.181 1.00 29.00 C ATOM 1027 OE1 GLU A 64 -12.781 9.589 5.705 1.00 31.72 O ATOM 1028 OE2 GLU A 64 -13.146 8.349 3.930 1.00 32.61 O ATOM 0 H GLU A 64 -11.129 5.697 3.807 1.00 10.04 H new ATOM 0 HA GLU A 64 -10.580 7.207 5.238 1.00 10.94 H new ATOM 0 HB2 GLU A 64 -12.255 5.875 7.327 1.00 18.31 H new ATOM 0 HB3 GLU A 64 -11.594 7.498 7.372 1.00 18.31 H new ATOM 0 HG2 GLU A 64 -13.757 6.479 5.512 1.00 24.16 H new ATOM 0 HG3 GLU A 64 -13.968 7.548 6.885 1.00 24.16 H new ATOM 1035 N SER A 65 -8.931 4.891 5.831 1.00 6.85 N ATOM 1036 CA SER A 65 -8.026 4.012 6.504 1.00 6.90 C ATOM 1037 C SER A 65 -6.636 4.484 6.249 1.00 4.72 C ATOM 1038 O SER A 65 -6.345 4.973 5.158 1.00 3.91 O ATOM 1039 CB SER A 65 -8.189 2.607 5.902 1.00 7.28 C ATOM 1040 OG SER A 65 -9.288 1.950 6.515 1.00 10.56 O ATOM 0 H SER A 65 -9.010 4.715 4.829 1.00 6.85 H new ATOM 0 HA SER A 65 -8.227 3.994 7.575 1.00 6.90 H new ATOM 0 HB2 SER A 65 -8.349 2.678 4.826 1.00 7.28 H new ATOM 0 HB3 SER A 65 -7.277 2.029 6.051 1.00 7.28 H new ATOM 0 HG SER A 65 -10.088 2.511 6.439 1.00 10.56 H new ATOM 1046 N THR A 66 -5.659 4.436 7.172 1.00 4.48 N ATOM 1047 CA THR A 66 -4.341 4.928 6.915 1.00 3.80 C ATOM 1048 C THR A 66 -3.432 3.747 6.878 1.00 4.60 C ATOM 1049 O THR A 66 -3.366 2.899 7.767 1.00 5.33 O ATOM 1050 CB THR A 66 -3.870 5.862 7.990 1.00 2.85 C ATOM 1051 OG1 THR A 66 -4.775 6.940 8.173 1.00 2.15 O ATOM 1052 CG2 THR A 66 -2.576 6.543 7.513 1.00 3.40 C ATOM 0 H THR A 66 -5.785 4.051 8.108 1.00 4.48 H new ATOM 0 HA THR A 66 -4.343 5.481 5.976 1.00 3.80 H new ATOM 0 HB THR A 66 -3.758 5.274 8.901 1.00 2.85 H new ATOM 0 HG1 THR A 66 -4.442 7.530 8.881 1.00 2.15 H new ATOM 0 HG21 THR A 66 -2.219 7.226 8.283 1.00 3.40 H new ATOM 0 HG22 THR A 66 -1.816 5.786 7.320 1.00 3.40 H new ATOM 0 HG23 THR A 66 -2.774 7.100 6.597 1.00 3.40 H new ATOM 1060 N LEU A 67 -2.635 3.676 5.797 1.00 4.17 N ATOM 1061 CA LEU A 67 -1.542 2.760 5.690 1.00 3.85 C ATOM 1062 C LEU A 67 -0.290 3.536 5.912 1.00 3.80 C ATOM 1063 O LEU A 67 -0.295 4.765 5.877 1.00 5.54 O ATOM 1064 CB LEU A 67 -1.458 2.119 4.295 1.00 7.18 C ATOM 1065 CG LEU A 67 -2.636 1.235 3.852 1.00 9.67 C ATOM 1066 CD1 LEU A 67 -2.600 0.472 2.517 1.00 11.66 C ATOM 1067 CD2 LEU A 67 -2.993 0.209 4.941 1.00 8.12 C ATOM 0 H LEU A 67 -2.753 4.270 4.977 1.00 4.17 H new ATOM 0 HA LEU A 67 -1.682 1.964 6.421 1.00 3.85 H new ATOM 0 HB2 LEU A 67 -1.342 2.918 3.563 1.00 7.18 H new ATOM 0 HB3 LEU A 67 -0.551 1.516 4.255 1.00 7.18 H new ATOM 0 HG LEU A 67 -3.376 2.017 3.682 1.00 9.67 H new ATOM 0 HD11 LEU A 67 -3.526 -0.091 2.394 1.00 11.66 H new ATOM 0 HD12 LEU A 67 -2.495 1.181 1.696 1.00 11.66 H new ATOM 0 HD13 LEU A 67 -1.754 -0.216 2.514 1.00 11.66 H new ATOM 0 HD21 LEU A 67 -3.829 -0.404 4.604 1.00 8.12 H new ATOM 0 HD22 LEU A 67 -2.131 -0.429 5.137 1.00 8.12 H new ATOM 0 HD23 LEU A 67 -3.272 0.732 5.856 1.00 8.12 H new ATOM 1079 N HIS A 68 0.798 2.790 6.178 1.00 2.94 N ATOM 1080 CA HIS A 68 2.121 3.246 6.473 1.00 4.17 C ATOM 1081 C HIS A 68 3.105 2.691 5.502 1.00 5.32 C ATOM 1082 O HIS A 68 3.317 1.482 5.413 1.00 7.70 O ATOM 1083 CB HIS A 68 2.503 2.740 7.874 1.00 5.57 C ATOM 1084 CG HIS A 68 1.712 3.247 9.044 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.547 2.694 9.535 1.00 13.74 N ATOM 1086 CD2 HIS A 68 1.970 4.417 9.686 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.086 3.593 10.445 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.914 4.616 10.552 1.00 16.30 N ATOM 0 H HIS A 68 0.743 1.772 6.187 1.00 2.94 H new ATOM 0 HA HIS A 68 2.138 4.334 6.417 1.00 4.17 H new ATOM 0 HB2 HIS A 68 2.431 1.652 7.868 1.00 5.57 H new ATOM 0 HB3 HIS A 68 3.550 2.989 8.045 1.00 5.57 H new ATOM 0 HD1 HIS A 68 0.124 1.804 9.272 1.00 13.74 H new ATOM 0 HD2 HIS A 68 2.827 5.060 9.547 1.00 12.79 H new ATOM 0 HE1 HIS A 68 -0.832 3.485 11.004 1.00 14.75 H new ATOM 1096 N LEU A 69 3.878 3.553 4.818 1.00 5.29 N ATOM 1097 CA LEU A 69 4.759 3.232 3.739 1.00 3.97 C ATOM 1098 C LEU A 69 6.168 3.292 4.217 1.00 5.07 C ATOM 1099 O LEU A 69 6.685 4.364 4.527 1.00 4.34 O ATOM 1100 CB LEU A 69 4.532 4.157 2.531 1.00 6.08 C ATOM 1101 CG LEU A 69 5.462 3.863 1.342 1.00 7.37 C ATOM 1102 CD1 LEU A 69 5.308 2.505 0.635 1.00 9.96 C ATOM 1103 CD2 LEU A 69 5.226 4.988 0.321 1.00 6.87 C ATOM 0 H LEU A 69 3.887 4.549 5.037 1.00 5.29 H new ATOM 0 HA LEU A 69 4.546 2.219 3.399 1.00 3.97 H new ATOM 0 HB2 LEU A 69 3.497 4.063 2.203 1.00 6.08 H new ATOM 0 HB3 LEU A 69 4.674 5.191 2.845 1.00 6.08 H new ATOM 0 HG LEU A 69 6.470 3.816 1.754 1.00 7.37 H new ATOM 0 HD11 LEU A 69 6.027 2.436 -0.182 1.00 9.96 H new ATOM 0 HD12 LEU A 69 5.491 1.701 1.348 1.00 9.96 H new ATOM 0 HD13 LEU A 69 4.297 2.414 0.237 1.00 9.96 H new ATOM 0 HD21 LEU A 69 5.864 4.830 -0.549 1.00 6.87 H new ATOM 0 HD22 LEU A 69 4.181 4.984 0.010 1.00 6.87 H new ATOM 0 HD23 LEU A 69 5.466 5.949 0.776 1.00 6.87 H new ATOM 1115 N VAL A 70 6.909 2.176 4.338 1.00 4.29 N ATOM 1116 CA VAL A 70 8.229 2.046 4.874 1.00 6.26 C ATOM 1117 C VAL A 70 9.120 1.628 3.755 1.00 9.22 C ATOM 1118 O VAL A 70 8.622 1.123 2.750 1.00 9.36 O ATOM 1119 CB VAL A 70 8.305 1.097 6.033 1.00 8.69 C ATOM 1120 CG1 VAL A 70 7.669 1.709 7.292 1.00 9.76 C ATOM 1121 CG2 VAL A 70 7.602 -0.240 5.743 1.00 8.54 C ATOM 0 H VAL A 70 6.544 1.275 4.028 1.00 4.29 H new ATOM 0 HA VAL A 70 8.548 3.004 5.285 1.00 6.26 H new ATOM 0 HB VAL A 70 9.366 0.911 6.197 1.00 8.69 H new ATOM 0 HG11 VAL A 70 7.738 0.999 8.116 1.00 9.76 H new ATOM 0 HG12 VAL A 70 8.196 2.626 7.557 1.00 9.76 H new ATOM 0 HG13 VAL A 70 6.621 1.937 7.096 1.00 9.76 H new ATOM 0 HG21 VAL A 70 7.686 -0.891 6.613 1.00 8.54 H new ATOM 0 HG22 VAL A 70 6.549 -0.058 5.526 1.00 8.54 H new ATOM 0 HG23 VAL A 70 8.072 -0.719 4.884 1.00 8.54 H new ATOM 1131 N LEU A 71 10.432 1.568 4.044 1.00 12.71 N ATOM 1132 CA LEU A 71 11.323 0.938 3.120 1.00 16.06 C ATOM 1133 C LEU A 71 11.311 -0.542 3.291 1.00 18.09 C ATOM 1134 O LEU A 71 11.147 -1.101 4.374 1.00 19.26 O ATOM 1135 CB LEU A 71 12.766 1.410 3.368 1.00 17.10 C ATOM 1136 CG LEU A 71 12.922 2.927 3.171 1.00 19.37 C ATOM 1137 CD1 LEU A 71 14.258 3.206 3.880 1.00 19.57 C ATOM 1138 CD2 LEU A 71 12.886 3.460 1.729 1.00 17.51 C ATOM 0 H LEU A 71 10.866 1.942 4.888 1.00 12.71 H new ATOM 0 HA LEU A 71 10.989 1.205 2.117 1.00 16.06 H new ATOM 0 HB2 LEU A 71 13.064 1.144 4.382 1.00 17.10 H new ATOM 0 HB3 LEU A 71 13.440 0.886 2.690 1.00 17.10 H new ATOM 0 HG LEU A 71 12.060 3.458 3.575 1.00 19.37 H new ATOM 0 HD11 LEU A 71 14.491 4.269 3.812 1.00 19.57 H new ATOM 0 HD12 LEU A 71 14.181 2.917 4.928 1.00 19.57 H new ATOM 0 HD13 LEU A 71 15.051 2.630 3.403 1.00 19.57 H new ATOM 0 HD21 LEU A 71 13.007 4.543 1.738 1.00 17.51 H new ATOM 0 HD22 LEU A 71 13.695 3.009 1.154 1.00 17.51 H new ATOM 0 HD23 LEU A 71 11.930 3.206 1.271 1.00 17.51 H new ATOM 1150 N ARG A 72 11.391 -1.289 2.176 1.00 21.47 N ATOM 1151 CA ARG A 72 11.801 -2.659 2.145 1.00 25.83 C ATOM 1152 C ARG A 72 13.276 -2.796 2.301 1.00 27.74 C ATOM 1153 O ARG A 72 14.052 -2.568 1.374 1.00 30.65 O ATOM 1154 CB ARG A 72 11.338 -3.407 0.884 1.00 28.49 C ATOM 1155 CG ARG A 72 11.625 -4.909 0.933 1.00 31.79 C ATOM 1156 CD ARG A 72 11.343 -5.639 -0.382 1.00 34.05 C ATOM 1157 NE ARG A 72 12.501 -5.222 -1.221 1.00 35.08 N ATOM 1158 CZ ARG A 72 13.263 -6.087 -1.952 1.00 34.67 C ATOM 1159 NH1 ARG A 72 13.245 -7.445 -1.815 1.00 35.02 N ATOM 1160 NH2 ARG A 72 14.239 -5.524 -2.722 1.00 34.97 N ATOM 0 H ARG A 72 11.159 -0.921 1.253 1.00 21.47 H new ATOM 0 HA ARG A 72 11.307 -3.125 2.997 1.00 25.83 H new ATOM 0 HB2 ARG A 72 10.267 -3.253 0.751 1.00 28.49 H new ATOM 0 HB3 ARG A 72 11.833 -2.978 0.013 1.00 28.49 H new ATOM 0 HG2 ARG A 72 12.670 -5.060 1.204 1.00 31.79 H new ATOM 0 HG3 ARG A 72 11.023 -5.358 1.723 1.00 31.79 H new ATOM 0 HD2 ARG A 72 11.304 -6.720 -0.248 1.00 34.05 H new ATOM 0 HD3 ARG A 72 10.392 -5.337 -0.820 1.00 34.05 H new ATOM 0 HE ARG A 72 12.739 -4.231 -1.251 1.00 35.08 H new ATOM 0 HH11 ARG A 72 12.630 -7.880 -1.127 1.00 35.02 H new ATOM 0 HH12 ARG A 72 13.846 -8.025 -2.401 1.00 35.02 H new ATOM 0 HH21 ARG A 72 14.364 -4.512 -2.727 1.00 34.97 H new ATOM 0 HH22 ARG A 72 14.843 -6.116 -3.292 1.00 34.97 H new ATOM 1174 N LEU A 73 13.749 -3.190 3.497 1.00 28.93 N ATOM 1175 CA LEU A 73 15.094 -3.546 3.828 1.00 30.76 C ATOM 1176 C LEU A 73 15.355 -5.012 3.870 1.00 32.18 C ATOM 1177 O LEU A 73 15.194 -5.674 4.894 1.00 32.31 O ATOM 1178 CB LEU A 73 15.352 -2.934 5.215 1.00 30.53 C ATOM 1179 CG LEU A 73 15.356 -1.398 5.292 1.00 30.16 C ATOM 1180 CD1 LEU A 73 15.281 -0.787 6.701 1.00 29.11 C ATOM 1181 CD2 LEU A 73 16.349 -0.676 4.364 1.00 29.57 C ATOM 0 H LEU A 73 13.131 -3.266 4.305 1.00 28.93 H new ATOM 0 HA LEU A 73 15.759 -3.171 3.050 1.00 30.76 H new ATOM 0 HB2 LEU A 73 14.592 -3.309 5.901 1.00 30.53 H new ATOM 0 HB3 LEU A 73 16.314 -3.297 5.576 1.00 30.53 H new ATOM 0 HG LEU A 73 14.380 -1.181 4.859 1.00 30.16 H new ATOM 0 HD11 LEU A 73 15.291 0.300 6.627 1.00 29.11 H new ATOM 0 HD12 LEU A 73 14.361 -1.109 7.189 1.00 29.11 H new ATOM 0 HD13 LEU A 73 16.138 -1.119 7.287 1.00 29.11 H new ATOM 0 HD21 LEU A 73 16.262 0.401 4.505 1.00 29.57 H new ATOM 0 HD22 LEU A 73 17.365 -0.992 4.601 1.00 29.57 H new ATOM 0 HD23 LEU A 73 16.125 -0.925 3.327 1.00 29.57 H new ATOM 1193 N ARG A 74 15.812 -5.593 2.747 1.00 33.82 N ATOM 1194 CA ARG A 74 16.101 -6.992 2.685 1.00 35.33 C ATOM 1195 C ARG A 74 17.515 -7.206 2.264 1.00 36.22 C ATOM 1196 O ARG A 74 18.341 -7.631 3.070 1.00 36.70 O ATOM 1197 CB ARG A 74 15.146 -7.578 1.632 1.00 36.91 C ATOM 1198 CG ARG A 74 13.796 -7.983 2.227 1.00 38.62 C ATOM 1199 CD ARG A 74 13.659 -9.455 2.619 1.00 39.75 C ATOM 1200 NE ARG A 74 13.638 -10.222 1.342 1.00 41.13 N ATOM 1201 CZ ARG A 74 14.105 -11.499 1.213 1.00 41.91 C ATOM 1202 NH1 ARG A 74 14.724 -12.093 2.275 1.00 42.75 N ATOM 1203 NH2 ARG A 74 13.718 -12.200 0.107 1.00 41.93 N ATOM 0 H ARG A 74 15.982 -5.090 1.876 1.00 33.82 H new ATOM 0 HA ARG A 74 15.969 -7.469 3.656 1.00 35.33 H new ATOM 0 HB2 ARG A 74 14.986 -6.844 0.843 1.00 36.91 H new ATOM 0 HB3 ARG A 74 15.611 -8.448 1.169 1.00 36.91 H new ATOM 0 HG2 ARG A 74 13.611 -7.372 3.111 1.00 38.62 H new ATOM 0 HG3 ARG A 74 13.015 -7.744 1.505 1.00 38.62 H new ATOM 0 HD2 ARG A 74 14.491 -9.770 3.249 1.00 39.75 H new ATOM 0 HD3 ARG A 74 12.746 -9.623 3.190 1.00 39.75 H new ATOM 0 HE ARG A 74 13.252 -9.766 0.515 1.00 41.13 H new ATOM 0 HH11 ARG A 74 14.833 -11.584 3.152 1.00 42.75 H new ATOM 0 HH12 ARG A 74 15.077 -13.046 2.192 1.00 42.75 H new ATOM 0 HH21 ARG A 74 13.104 -11.767 -0.582 1.00 41.93 H new ATOM 0 HH22 ARG A 74 14.043 -13.157 -0.030 1.00 41.93 H new ATOM 1217 N GLY A 75 17.800 -6.997 0.967 1.00 36.31 N ATOM 1218 CA GLY A 75 19.035 -7.336 0.330 1.00 36.07 C ATOM 1219 C GLY A 75 18.973 -8.590 -0.471 1.00 36.16 C ATOM 1220 O GLY A 75 19.790 -9.508 -0.425 1.00 36.26 O ATOM 0 H GLY A 75 17.132 -6.568 0.327 1.00 36.31 H new ATOM 0 HA2 GLY A 75 19.335 -6.515 -0.321 1.00 36.07 H new ATOM 0 HA3 GLY A 75 19.809 -7.439 1.090 1.00 36.07 H new ATOM 1224 N GLY A 76 17.908 -8.595 -1.294 1.00 36.05 N ATOM 1225 CA GLY A 76 17.447 -9.788 -1.931 1.00 36.19 C ATOM 1226 C GLY A 76 16.262 -9.529 -2.850 1.00 36.20 C ATOM 1227 O GLY A 76 16.124 -10.272 -3.859 1.00 36.13 O ATOM 1228 OXT GLY A 76 15.454 -8.587 -2.635 1.00 36.27 O ATOM 0 H GLY A 76 17.362 -7.763 -1.519 1.00 36.05 H new ATOM 0 HA2 GLY A 76 18.261 -10.228 -2.507 1.00 36.19 H new ATOM 0 HA3 GLY A 76 17.163 -10.517 -1.172 1.00 36.19 H new TER 1232 GLY A 76