USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 THR OG1 : rot 180:sc= 0.727 USER MOD Set 1.2: A 25 ASN : amide:sc= -0.0799 K(o=0.65,f=-1.6!) USER MOD Set 2.1: A 6 LYS NZ :NH3+ -178:sc= 1.02 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot 160:sc= 0.893 USER MOD Single : A 1 MET CE :methyl -114:sc= -0.0828 (180deg=-0.565) USER MOD Single : A 1 MET N :NH3+ -155:sc= 2.49 (180deg=2.19) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 154:sc= 0.966 (180deg=0.805) USER MOD Single : A 14 THR OG1 : rot -71:sc= 0.133 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0351 USER MOD Single : A 27 LYS NZ :NH3+ -179:sc= 2.26 (180deg=2.21) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.662 X(o=-0.66,f=-0.68) 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=-1.7!) USER MOD Single : A 41 GLN : amide:sc= 0.797 K(o=0.8,f=-4.8!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.115 X(o=-0.11,f=-0.45) USER MOD Single : A 55 THR OG1 : rot -77:sc= 0.728 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= 0.282 USER MOD Single : A 60 ASN : amide:sc= -0.0883 X(o=-0.088,f=-0.44) USER MOD Single : A 62 GLN : amide:sc=-0.00162 K(o=-0.0016,f=-0.87) USER MOD Single : A 63 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00546) USER MOD Single : A 65 SER OG : rot 82:sc= 1 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -2.27! K(o=-2.3!,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.752 -7.929 -5.402 1.00 9.67 N ATOM 2 CA MET A 1 11.104 -7.950 -3.980 1.00 10.38 C ATOM 3 C MET A 1 9.859 -8.195 -3.231 1.00 9.62 C ATOM 4 O MET A 1 8.813 -7.643 -3.554 1.00 9.62 O ATOM 5 CB MET A 1 11.682 -6.540 -3.605 1.00 13.77 C ATOM 6 CG MET A 1 12.044 -6.315 -2.090 1.00 16.29 C ATOM 7 SD MET A 1 12.765 -4.655 -1.779 1.00 17.17 S ATOM 8 CE MET A 1 11.153 -3.800 -1.905 1.00 16.11 C ATOM 0 H1 MET A 1 11.586 -8.182 -5.970 1.00 9.67 H new ATOM 0 H2 MET A 1 9.990 -8.614 -5.581 1.00 9.67 H new ATOM 0 H3 MET A 1 10.430 -6.976 -5.666 1.00 9.67 H new ATOM 0 HA MET A 1 11.842 -8.719 -3.750 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.579 -6.369 -4.200 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.955 -5.783 -3.899 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.147 -6.437 -1.483 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.751 -7.080 -1.771 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.154 -3.149 -2.779 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.357 -4.538 -2.002 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.987 -3.203 -1.008 1.00 16.11 H new ATOM 20 N GLN A 2 9.809 -8.979 -2.149 1.00 9.27 N ATOM 21 CA GLN A 2 8.636 -9.236 -1.386 1.00 9.07 C ATOM 22 C GLN A 2 8.292 -8.181 -0.348 1.00 8.72 C ATOM 23 O GLN A 2 9.163 -7.846 0.446 1.00 8.22 O ATOM 24 CB GLN A 2 8.828 -10.647 -0.771 1.00 14.46 C ATOM 25 CG GLN A 2 7.684 -11.179 0.154 1.00 17.01 C ATOM 26 CD GLN A 2 8.095 -12.466 0.917 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.582 -12.492 2.062 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.926 -13.574 0.215 1.00 19.49 N ATOM 0 H GLN A 2 10.632 -9.460 -1.786 1.00 9.27 H new ATOM 0 HA GLN A 2 7.766 -9.194 -2.041 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.962 -11.357 -1.587 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.754 -10.643 -0.197 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.411 -10.405 0.872 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.798 -11.383 -0.448 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.525 -13.528 -0.722 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.197 -14.474 0.610 1.00 19.49 H new ATOM 37 N ILE A 3 7.045 -7.697 -0.281 1.00 5.87 N ATOM 38 CA ILE A 3 6.504 -6.974 0.848 1.00 5.07 C ATOM 39 C ILE A 3 5.118 -7.501 1.121 1.00 4.01 C ATOM 40 O ILE A 3 4.644 -8.303 0.337 1.00 4.61 O ATOM 41 CB ILE A 3 6.432 -5.447 0.649 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.944 -4.989 -0.727 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.862 -4.994 0.966 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.557 -3.466 -0.662 1.00 10.83 C ATOM 0 H ILE A 3 6.374 -7.808 -1.041 1.00 5.87 H new ATOM 0 HA ILE A 3 7.183 -7.136 1.685 1.00 5.07 H new ATOM 0 HB ILE A 3 5.677 -4.995 1.293 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.723 -5.146 -1.473 1.00 4.72 H new ATOM 0 HG13 ILE A 3 5.083 -5.582 -1.036 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.934 -3.912 0.857 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.114 -5.273 1.989 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.557 -5.475 0.278 1.00 5.58 H new ATOM 0 HD11 ILE A 3 5.209 -3.137 -1.641 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.764 -3.323 0.072 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.430 -2.881 -0.372 1.00 10.83 H new ATOM 56 N PHE A 4 4.523 -7.155 2.279 1.00 4.55 N ATOM 57 CA PHE A 4 3.289 -7.682 2.736 1.00 4.68 C ATOM 58 C PHE A 4 2.326 -6.549 3.107 1.00 5.30 C ATOM 59 O PHE A 4 2.717 -5.471 3.524 1.00 5.58 O ATOM 60 CB PHE A 4 3.511 -8.490 4.077 1.00 4.83 C ATOM 61 CG PHE A 4 4.344 -9.700 3.884 1.00 7.97 C ATOM 62 CD1 PHE A 4 3.886 -10.760 3.098 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.517 -9.907 4.612 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.533 -12.024 3.074 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.258 -11.079 4.529 1.00 10.61 C ATOM 66 CZ PHE A 4 5.752 -12.167 3.763 1.00 8.90 C ATOM 0 H PHE A 4 4.929 -6.474 2.921 1.00 4.55 H new ATOM 0 HA PHE A 4 2.891 -8.307 1.937 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.985 -7.841 4.813 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.543 -8.781 4.485 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.008 -10.613 2.486 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.863 -9.122 5.268 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.100 -12.856 2.539 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.206 -11.164 5.039 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.300 -13.096 3.711 1.00 8.90 H new ATOM 76 N VAL A 5 1.010 -6.740 2.917 1.00 4.44 N ATOM 77 CA VAL A 5 -0.003 -5.739 3.251 1.00 3.87 C ATOM 78 C VAL A 5 -1.148 -6.293 4.131 1.00 4.93 C ATOM 79 O VAL A 5 -1.730 -7.347 3.860 1.00 6.84 O ATOM 80 CB VAL A 5 -0.561 -4.981 2.027 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.415 -3.755 2.427 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.565 -4.421 1.114 1.00 9.13 C ATOM 0 H VAL A 5 0.623 -7.599 2.525 1.00 4.44 H new ATOM 0 HA VAL A 5 0.539 -5.008 3.850 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.162 -5.726 1.505 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.782 -3.259 1.529 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.260 -4.082 3.032 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.805 -3.059 3.002 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.120 -3.897 0.268 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.185 -3.729 1.684 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.180 -5.243 0.749 1.00 9.13 H new ATOM 92 N LYS A 6 -1.390 -5.581 5.211 1.00 6.04 N ATOM 93 CA LYS A 6 -2.273 -6.017 6.306 1.00 6.12 C ATOM 94 C LYS A 6 -3.518 -5.199 6.259 1.00 6.57 C ATOM 95 O LYS A 6 -3.514 -3.969 6.177 1.00 5.76 O ATOM 96 CB LYS A 6 -1.589 -5.916 7.717 1.00 7.45 C ATOM 97 CG LYS A 6 -0.604 -7.077 8.017 1.00 11.12 C ATOM 98 CD LYS A 6 -1.435 -8.275 8.545 1.00 14.54 C ATOM 99 CE LYS A 6 -0.691 -9.294 9.409 1.00 18.84 C ATOM 100 NZ LYS A 6 0.166 -10.165 8.696 1.00 20.55 N ATOM 0 H LYS A 6 -0.977 -4.662 5.369 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.505 -7.072 6.163 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.052 -4.970 7.784 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.362 -5.899 8.485 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.058 -7.358 7.116 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.136 -6.770 8.756 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -2.270 -7.882 9.124 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.860 -8.799 7.689 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -0.103 -8.757 10.153 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.423 -9.892 9.952 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.601 -10.841 9.356 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.383 -10.683 7.981 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.911 -9.612 8.226 1.00 20.55 H new ATOM 114 N THR A 7 -4.723 -5.853 6.238 1.00 7.41 N ATOM 115 CA THR A 7 -6.007 -5.156 6.499 1.00 7.48 C ATOM 116 C THR A 7 -6.526 -5.393 7.897 1.00 8.75 C ATOM 117 O THR A 7 -6.075 -6.239 8.621 1.00 8.58 O ATOM 118 CB THR A 7 -7.042 -5.604 5.497 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.536 -6.905 5.774 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.426 -5.694 4.097 1.00 9.17 C ATOM 0 H THR A 7 -4.822 -6.850 6.045 1.00 7.41 H new ATOM 0 HA THR A 7 -5.817 -4.087 6.400 1.00 7.48 H new ATOM 0 HB THR A 7 -7.844 -4.868 5.556 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.204 -7.151 5.101 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.185 -6.018 3.386 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.047 -4.715 3.802 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.606 -6.412 4.106 1.00 9.17 H new ATOM 128 N LEU A 8 -7.452 -4.517 8.385 1.00 9.84 N ATOM 129 CA LEU A 8 -8.003 -4.544 9.751 1.00 14.15 C ATOM 130 C LEU A 8 -8.582 -5.838 10.149 1.00 17.37 C ATOM 131 O LEU A 8 -8.331 -6.332 11.245 1.00 17.01 O ATOM 132 CB LEU A 8 -9.086 -3.424 9.957 1.00 16.63 C ATOM 133 CG LEU A 8 -8.598 -2.010 10.315 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.659 -0.899 10.103 1.00 19.31 C ATOM 135 CD2 LEU A 8 -7.948 -1.918 11.758 1.00 18.59 C ATOM 0 H LEU A 8 -7.837 -3.761 7.818 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.140 -4.364 10.392 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.673 -3.354 9.041 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.763 -3.754 10.745 1.00 16.63 H new ATOM 0 HG LEU A 8 -7.806 -1.816 9.591 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.235 0.067 10.379 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.959 -0.878 9.055 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.530 -1.104 10.726 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -7.625 -0.894 11.947 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -8.683 -2.211 12.508 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.088 -2.586 11.813 1.00 18.59 H new ATOM 147 N THR A 9 -9.319 -6.502 9.277 1.00 18.33 N ATOM 148 CA THR A 9 -10.017 -7.720 9.674 1.00 19.24 C ATOM 149 C THR A 9 -9.159 -8.999 9.439 1.00 19.48 C ATOM 150 O THR A 9 -9.672 -10.079 9.587 1.00 23.14 O ATOM 151 CB THR A 9 -11.415 -7.889 9.031 1.00 18.97 C ATOM 152 OG1 THR A 9 -11.337 -7.746 7.650 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.252 -6.763 9.533 1.00 19.70 C ATOM 0 H THR A 9 -9.451 -6.228 8.304 1.00 18.33 H new ATOM 0 HA THR A 9 -10.178 -7.598 10.745 1.00 19.24 H new ATOM 0 HB THR A 9 -11.819 -8.872 9.276 1.00 18.97 H new ATOM 0 HG1 THR A 9 -12.229 -7.857 7.259 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.253 -6.836 9.107 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.315 -6.813 10.620 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.801 -5.815 9.239 1.00 19.70 H new ATOM 161 N GLY A 10 -7.846 -8.910 9.131 1.00 19.43 N ATOM 162 CA GLY A 10 -6.845 -9.957 9.376 1.00 18.74 C ATOM 163 C GLY A 10 -6.268 -10.540 8.101 1.00 17.62 C ATOM 164 O GLY A 10 -5.876 -11.709 8.103 1.00 19.74 O ATOM 0 H GLY A 10 -7.448 -8.080 8.692 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.036 -9.544 9.978 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.300 -10.757 9.960 1.00 18.74 H new ATOM 168 N LYS A 11 -6.325 -9.837 6.991 1.00 13.56 N ATOM 169 CA LYS A 11 -5.889 -10.317 5.681 1.00 11.91 C ATOM 170 C LYS A 11 -4.482 -9.891 5.407 1.00 10.18 C ATOM 171 O LYS A 11 -4.202 -8.631 5.521 1.00 9.10 O ATOM 172 CB LYS A 11 -6.909 -9.971 4.563 1.00 13.43 C ATOM 173 CG LYS A 11 -6.762 -10.783 3.248 1.00 16.69 C ATOM 174 CD LYS A 11 -7.876 -10.594 2.142 1.00 17.92 C ATOM 175 CE LYS A 11 -8.132 -11.834 1.199 1.00 20.81 C ATOM 176 NZ LYS A 11 -6.943 -12.125 0.359 1.00 21.93 N ATOM 0 H LYS A 11 -6.687 -8.884 6.966 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.870 -11.407 5.690 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.915 -10.124 4.953 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.817 -8.911 4.327 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.800 -10.530 2.803 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.724 -11.841 3.509 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.813 -10.340 2.638 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.603 -9.741 1.521 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -8.377 -12.708 1.802 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -8.992 -11.636 0.560 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -6.941 -13.131 0.096 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -6.975 -11.542 -0.502 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -6.078 -11.905 0.893 1.00 21.93 H new ATOM 190 N THR A 12 -3.625 -10.828 5.016 1.00 9.63 N ATOM 191 CA THR A 12 -2.266 -10.553 4.616 1.00 9.85 C ATOM 192 C THR A 12 -2.112 -10.721 3.104 1.00 11.66 C ATOM 193 O THR A 12 -2.283 -11.765 2.498 1.00 12.33 O ATOM 194 CB THR A 12 -1.249 -11.471 5.291 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.412 -11.534 6.717 1.00 10.91 O ATOM 196 CG2 THR A 12 0.161 -11.004 5.038 1.00 9.63 C ATOM 0 H THR A 12 -3.869 -11.817 4.970 1.00 9.63 H new ATOM 0 HA THR A 12 -2.067 -9.526 4.923 1.00 9.85 H new ATOM 0 HB THR A 12 -1.427 -12.455 4.857 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.979 -12.344 7.060 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.861 -11.678 5.531 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.356 -11.000 3.966 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.287 -9.996 5.434 1.00 9.63 H new ATOM 204 N ILE A 13 -1.695 -9.607 2.389 1.00 10.42 N ATOM 205 CA ILE A 13 -1.604 -9.574 0.916 1.00 11.84 C ATOM 206 C ILE A 13 -0.121 -9.605 0.656 1.00 10.55 C ATOM 207 O ILE A 13 0.626 -8.962 1.330 1.00 11.92 O ATOM 208 CB ILE A 13 -2.300 -8.350 0.301 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.752 -8.230 0.605 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.152 -8.200 -1.206 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.229 -6.751 0.858 1.00 16.46 C ATOM 0 H ILE A 13 -1.422 -8.731 2.834 1.00 10.42 H new ATOM 0 HA ILE A 13 -2.124 -10.408 0.446 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.750 -7.552 0.800 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.323 -8.649 -0.224 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.980 -8.831 1.485 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.680 -7.305 -1.536 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.096 -8.113 -1.461 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.574 -9.074 -1.702 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.298 -6.745 1.073 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.686 -6.334 1.706 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.034 -6.149 -0.030 1.00 16.46 H new ATOM 223 N THR A 14 0.340 -10.367 -0.345 1.00 9.39 N ATOM 224 CA THR A 14 1.798 -10.598 -0.538 1.00 9.63 C ATOM 225 C THR A 14 2.138 -10.108 -1.916 1.00 11.20 C ATOM 226 O THR A 14 1.581 -10.606 -2.891 1.00 11.63 O ATOM 227 CB THR A 14 2.262 -12.081 -0.548 1.00 10.38 C ATOM 228 OG1 THR A 14 1.957 -12.592 0.746 1.00 16.30 O ATOM 229 CG2 THR A 14 3.812 -12.119 -0.522 1.00 11.66 C ATOM 0 H THR A 14 -0.256 -10.832 -1.030 1.00 9.39 H new ATOM 0 HA THR A 14 2.279 -10.098 0.303 1.00 9.63 H new ATOM 0 HB THR A 14 1.818 -12.601 -1.397 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.566 -12.198 1.405 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.151 -13.155 -0.529 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.203 -11.604 -1.399 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.173 -11.625 0.380 1.00 11.66 H new ATOM 237 N LEU A 15 2.911 -9.018 -2.139 1.00 8.29 N ATOM 238 CA LEU A 15 3.130 -8.431 -3.455 1.00 9.03 C ATOM 239 C LEU A 15 4.558 -8.690 -3.863 1.00 8.59 C ATOM 240 O LEU A 15 5.426 -9.087 -3.101 1.00 7.79 O ATOM 241 CB LEU A 15 2.899 -6.927 -3.392 1.00 11.08 C ATOM 242 CG LEU A 15 1.484 -6.538 -2.913 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.375 -5.073 -2.690 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.339 -7.154 -3.754 1.00 15.27 C ATOM 0 H LEU A 15 3.400 -8.526 -1.391 1.00 8.29 H new ATOM 0 HA LEU A 15 2.441 -8.872 -4.175 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.635 -6.483 -2.722 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.069 -6.500 -4.380 1.00 11.08 H new ATOM 0 HG LEU A 15 1.340 -7.004 -1.938 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.367 -4.830 -2.353 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.095 -4.766 -1.931 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.583 -4.547 -3.622 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.622 -6.832 -3.352 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.429 -6.823 -4.789 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.403 -8.241 -3.714 1.00 15.27 H new ATOM 256 N GLU A 16 4.789 -8.488 -5.132 1.00 11.04 N ATOM 257 CA GLU A 16 6.081 -8.566 -5.723 1.00 11.50 C ATOM 258 C GLU A 16 6.456 -7.224 -6.455 1.00 10.13 C ATOM 259 O GLU A 16 5.782 -6.807 -7.428 1.00 9.83 O ATOM 260 CB GLU A 16 6.051 -9.763 -6.639 1.00 17.22 C ATOM 261 CG GLU A 16 7.421 -10.206 -7.195 1.00 23.33 C ATOM 262 CD GLU A 16 8.325 -10.740 -6.091 1.00 26.99 C ATOM 263 OE1 GLU A 16 7.990 -11.846 -5.491 1.00 28.90 O ATOM 264 OE2 GLU A 16 9.400 -10.166 -5.821 1.00 28.86 O ATOM 0 H GLU A 16 4.052 -8.257 -5.798 1.00 11.04 H new ATOM 0 HA GLU A 16 6.864 -8.695 -4.976 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.609 -10.601 -6.100 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.392 -9.540 -7.478 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.276 -10.976 -7.952 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.905 -9.363 -7.687 1.00 23.33 H new ATOM 271 N VAL A 17 7.399 -6.484 -5.895 1.00 8.99 N ATOM 272 CA VAL A 17 7.557 -5.120 -6.268 1.00 8.85 C ATOM 273 C VAL A 17 9.031 -4.821 -6.625 1.00 8.04 C ATOM 274 O VAL A 17 9.888 -5.588 -6.345 1.00 8.99 O ATOM 275 CB VAL A 17 6.991 -4.250 -5.112 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.562 -4.613 -4.671 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.978 -4.238 -3.938 1.00 10.54 C ATOM 0 H VAL A 17 8.054 -6.817 -5.187 1.00 8.99 H new ATOM 0 HA VAL A 17 6.999 -4.880 -7.173 1.00 8.85 H new ATOM 0 HB VAL A 17 6.889 -3.239 -5.507 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.253 -3.953 -3.861 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.881 -4.497 -5.514 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.539 -5.647 -4.326 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.576 -3.626 -3.131 1.00 10.54 H new ATOM 0 HG22 VAL A 17 8.130 -5.256 -3.580 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.930 -3.823 -4.268 1.00 10.54 H new ATOM 287 N GLU A 18 9.226 -3.641 -7.157 1.00 7.29 N ATOM 288 CA GLU A 18 10.528 -2.980 -7.277 1.00 7.08 C ATOM 289 C GLU A 18 10.639 -1.747 -6.313 1.00 6.45 C ATOM 290 O GLU A 18 9.618 -1.362 -5.749 1.00 5.28 O ATOM 291 CB GLU A 18 10.781 -2.554 -8.758 1.00 10.28 C ATOM 292 CG GLU A 18 10.883 -3.675 -9.737 1.00 12.65 C ATOM 293 CD GLU A 18 12.118 -4.503 -9.401 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.213 -3.933 -9.039 1.00 18.17 O ATOM 295 OE2 GLU A 18 11.963 -5.742 -9.555 1.00 14.33 O ATOM 0 H GLU A 18 8.462 -3.082 -7.537 1.00 7.29 H new ATOM 0 HA GLU A 18 11.298 -3.693 -6.981 1.00 7.08 H new ATOM 0 HB2 GLU A 18 9.973 -1.893 -9.071 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.702 -1.973 -8.799 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.988 -4.296 -9.695 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.954 -3.285 -10.752 1.00 12.65 H new ATOM 302 N PRO A 19 11.696 -1.116 -6.092 1.00 7.24 N ATOM 303 CA PRO A 19 11.780 -0.099 -5.096 1.00 7.07 C ATOM 304 C PRO A 19 11.308 1.233 -5.580 1.00 6.65 C ATOM 305 O PRO A 19 11.108 2.175 -4.784 1.00 6.37 O ATOM 306 CB PRO A 19 13.222 -0.059 -4.588 1.00 7.61 C ATOM 307 CG PRO A 19 14.013 -0.636 -5.777 1.00 8.16 C ATOM 308 CD PRO A 19 13.055 -1.621 -6.384 1.00 7.49 C ATOM 0 HA PRO A 19 11.105 -0.342 -4.276 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.538 0.955 -4.345 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.351 -0.658 -3.686 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.295 0.141 -6.488 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.934 -1.119 -5.451 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.215 -1.706 -7.459 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.199 -2.615 -5.960 1.00 7.49 H new ATOM 316 N SER A 20 11.105 1.327 -6.898 1.00 6.80 N ATOM 317 CA SER A 20 10.744 2.539 -7.626 1.00 6.28 C ATOM 318 C SER A 20 9.286 2.532 -7.899 1.00 8.45 C ATOM 319 O SER A 20 8.760 3.568 -8.383 1.00 7.26 O ATOM 320 CB SER A 20 11.533 2.570 -8.978 1.00 8.57 C ATOM 321 OG SER A 20 11.534 1.220 -9.596 1.00 11.13 O ATOM 0 H SER A 20 11.193 0.518 -7.513 1.00 6.80 H new ATOM 0 HA SER A 20 10.994 3.419 -7.034 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.078 3.290 -9.658 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.557 2.900 -8.804 1.00 8.57 H new ATOM 0 HG SER A 20 12.028 1.248 -10.442 1.00 11.13 H new ATOM 327 N ASP A 21 8.519 1.481 -7.569 1.00 7.50 N ATOM 328 CA ASP A 21 7.015 1.466 -7.568 1.00 7.70 C ATOM 329 C ASP A 21 6.443 2.437 -6.580 1.00 7.08 C ATOM 330 O ASP A 21 6.876 2.478 -5.459 1.00 8.11 O ATOM 331 CB ASP A 21 6.472 0.051 -7.211 1.00 11.00 C ATOM 332 CG ASP A 21 6.826 -0.999 -8.345 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.811 -0.549 -9.544 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.058 -2.179 -8.032 1.00 14.36 O ATOM 0 H ASP A 21 8.920 0.587 -7.286 1.00 7.50 H new ATOM 0 HA ASP A 21 6.709 1.751 -8.575 1.00 7.70 H new ATOM 0 HB2 ASP A 21 6.897 -0.276 -6.262 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.391 0.096 -7.077 1.00 11.00 H new ATOM 339 N THR A 22 5.412 3.156 -6.970 1.00 5.37 N ATOM 340 CA THR A 22 4.928 4.263 -6.201 1.00 6.01 C ATOM 341 C THR A 22 3.912 3.584 -5.321 1.00 8.01 C ATOM 342 O THR A 22 3.465 2.500 -5.678 1.00 8.11 O ATOM 343 CB THR A 22 4.230 5.412 -7.059 1.00 8.92 C ATOM 344 OG1 THR A 22 3.142 4.938 -7.848 1.00 10.22 O ATOM 345 CG2 THR A 22 5.309 6.167 -7.933 1.00 9.65 C ATOM 0 H THR A 22 4.892 2.983 -7.830 1.00 5.37 H new ATOM 0 HA THR A 22 5.735 4.788 -5.690 1.00 6.01 H new ATOM 0 HB THR A 22 3.790 6.121 -6.358 1.00 8.92 H new ATOM 0 HG1 THR A 22 2.753 5.684 -8.350 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.823 6.950 -8.515 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.059 6.613 -7.280 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.791 5.459 -8.608 1.00 9.65 H new ATOM 353 N ILE A 23 3.391 4.364 -4.344 1.00 8.32 N ATOM 354 CA ILE A 23 2.204 4.062 -3.544 1.00 9.92 C ATOM 355 C ILE A 23 1.017 3.811 -4.341 1.00 10.01 C ATOM 356 O ILE A 23 0.445 2.754 -4.155 1.00 8.71 O ATOM 357 CB ILE A 23 1.978 5.068 -2.416 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.244 5.271 -1.531 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.787 4.478 -1.551 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.900 3.995 -0.959 1.00 12.30 C ATOM 0 H ILE A 23 3.813 5.257 -4.089 1.00 8.32 H new ATOM 0 HA ILE A 23 2.416 3.112 -3.053 1.00 9.92 H new ATOM 0 HB ILE A 23 1.749 6.052 -2.826 1.00 10.78 H new ATOM 0 HG12 ILE A 23 3.991 5.803 -2.121 1.00 11.38 H new ATOM 0 HG13 ILE A 23 2.976 5.920 -0.697 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.571 5.151 -0.722 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.100 4.376 -2.176 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.070 3.501 -1.160 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.770 4.269 -0.362 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.182 3.466 -0.332 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.212 3.348 -1.779 1.00 12.30 H new ATOM 372 N GLU A 24 0.686 4.705 -5.294 1.00 9.54 N ATOM 373 CA GLU A 24 -0.266 4.395 -6.339 1.00 11.81 C ATOM 374 C GLU A 24 -0.059 3.088 -7.195 1.00 11.14 C ATOM 375 O GLU A 24 -0.988 2.301 -7.285 1.00 10.62 O ATOM 376 CB GLU A 24 -0.346 5.600 -7.330 1.00 19.24 C ATOM 377 CG GLU A 24 -1.735 5.469 -8.107 1.00 27.76 C ATOM 378 CD GLU A 24 -2.061 6.791 -8.836 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.140 7.510 -9.351 1.00 34.80 O ATOM 380 OE2 GLU A 24 -3.245 7.205 -8.757 1.00 36.51 O ATOM 0 H GLU A 24 1.074 5.647 -5.347 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.179 4.202 -5.776 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.292 6.547 -6.792 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.491 5.582 -8.028 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.683 4.651 -8.826 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.532 5.226 -7.405 1.00 27.76 H new ATOM 387 N ASN A 25 1.138 2.826 -7.769 1.00 9.43 N ATOM 388 CA ASN A 25 1.401 1.482 -8.343 1.00 10.96 C ATOM 389 C ASN A 25 1.264 0.368 -7.289 1.00 9.68 C ATOM 390 O ASN A 25 0.769 -0.670 -7.650 1.00 9.33 O ATOM 391 CB ASN A 25 2.873 1.316 -8.851 1.00 16.78 C ATOM 392 CG ASN A 25 3.232 2.222 -9.978 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.367 2.733 -9.947 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.301 2.516 -10.926 1.00 24.70 N ATOM 0 H ASN A 25 1.907 3.492 -7.847 1.00 9.43 H new ATOM 0 HA ASN A 25 0.673 1.400 -9.150 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.555 1.498 -8.021 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.023 0.284 -9.167 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.518 3.187 -11.663 1.00 24.70 H new ATOM 0 HD22 ASN A 25 1.387 2.065 -10.900 1.00 24.70 H new ATOM 401 N VAL A 26 1.677 0.489 -6.032 1.00 6.52 N ATOM 402 CA VAL A 26 1.413 -0.532 -4.966 1.00 5.53 C ATOM 403 C VAL A 26 -0.080 -0.839 -4.737 1.00 4.42 C ATOM 404 O VAL A 26 -0.464 -2.009 -4.823 1.00 3.40 O ATOM 405 CB VAL A 26 2.054 -0.277 -3.615 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.748 -1.409 -2.586 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.622 -0.234 -3.762 1.00 8.12 C ATOM 0 H VAL A 26 2.209 1.293 -5.699 1.00 6.52 H new ATOM 0 HA VAL A 26 1.907 -1.399 -5.404 1.00 5.53 H new ATOM 0 HB VAL A 26 1.643 0.668 -3.261 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.230 -1.177 -1.636 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.671 -1.484 -2.437 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.129 -2.357 -2.964 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.074 -0.050 -2.787 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.977 -1.188 -4.153 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.901 0.566 -4.448 1.00 8.12 H new ATOM 417 N LYS A 27 -0.938 0.231 -4.625 1.00 2.64 N ATOM 418 CA LYS A 27 -2.418 0.105 -4.782 1.00 4.14 C ATOM 419 C LYS A 27 -2.933 -0.537 -6.077 1.00 5.58 C ATOM 420 O LYS A 27 -3.892 -1.274 -6.065 1.00 4.11 O ATOM 421 CB LYS A 27 -3.064 1.541 -4.571 1.00 3.97 C ATOM 422 CG LYS A 27 -2.743 2.248 -3.188 1.00 7.45 C ATOM 423 CD LYS A 27 -3.577 3.524 -2.852 1.00 9.02 C ATOM 424 CE LYS A 27 -3.291 4.730 -3.721 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.175 5.809 -3.281 1.00 15.47 N ATOM 0 H LYS A 27 -0.625 1.181 -4.428 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.730 -0.610 -4.021 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.726 2.192 -5.377 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.146 1.449 -4.668 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.893 1.521 -2.390 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.687 2.518 -3.179 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.636 3.279 -2.936 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.394 3.794 -1.812 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.247 5.029 -3.630 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.465 4.496 -4.771 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -4.016 6.651 -3.871 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -5.165 5.505 -3.372 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -3.973 6.040 -2.287 1.00 15.47 H new ATOM 439 N ALA A 28 -2.233 -0.312 -7.198 1.00 6.61 N ATOM 440 CA ALA A 28 -2.614 -1.019 -8.417 1.00 7.74 C ATOM 441 C ALA A 28 -2.277 -2.532 -8.395 1.00 9.17 C ATOM 442 O ALA A 28 -3.008 -3.341 -8.959 1.00 11.45 O ATOM 443 CB ALA A 28 -2.025 -0.413 -9.668 1.00 7.68 C ATOM 0 H ALA A 28 -1.439 0.323 -7.282 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.698 -0.906 -8.443 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.348 -0.987 -10.537 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.364 0.618 -9.767 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.937 -0.432 -9.604 1.00 7.68 H new ATOM 449 N LYS A 29 -1.195 -2.926 -7.681 1.00 8.96 N ATOM 450 CA LYS A 29 -0.926 -4.339 -7.468 1.00 7.90 C ATOM 451 C LYS A 29 -1.930 -5.051 -6.562 1.00 6.92 C ATOM 452 O LYS A 29 -2.446 -6.090 -6.974 1.00 6.87 O ATOM 453 CB LYS A 29 0.503 -4.524 -6.993 1.00 10.28 C ATOM 454 CG LYS A 29 1.569 -4.258 -8.051 1.00 14.94 C ATOM 455 CD LYS A 29 2.976 -4.587 -7.607 1.00 19.69 C ATOM 456 CE LYS A 29 4.083 -3.678 -8.267 1.00 22.63 C ATOM 457 NZ LYS A 29 4.118 -3.826 -9.729 1.00 24.98 N ATOM 0 H LYS A 29 -0.518 -2.291 -7.258 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.053 -4.827 -8.434 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.678 -3.860 -6.146 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.620 -5.544 -6.628 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.335 -4.841 -8.942 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.526 -3.207 -8.338 1.00 14.94 H new ATOM 0 HD2 LYS A 29 3.037 -4.488 -6.523 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.187 -5.630 -7.844 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.894 -2.635 -8.013 1.00 22.63 H new ATOM 0 HE3 LYS A 29 5.058 -3.936 -7.853 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.859 -3.212 -10.122 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.323 -4.816 -9.973 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.196 -3.555 -10.127 1.00 24.98 H new ATOM 471 N ILE A 30 -2.289 -4.398 -5.447 1.00 4.57 N ATOM 472 CA ILE A 30 -3.381 -4.813 -4.542 1.00 5.58 C ATOM 473 C ILE A 30 -4.708 -4.913 -5.220 1.00 7.26 C ATOM 474 O ILE A 30 -5.440 -5.873 -4.960 1.00 9.46 O ATOM 475 CB ILE A 30 -3.554 -3.841 -3.351 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.290 -4.029 -2.460 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.844 -4.096 -2.507 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.192 -3.021 -1.265 1.00 2.00 C ATOM 0 H ILE A 30 -1.820 -3.546 -5.139 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.075 -5.800 -4.195 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.663 -2.826 -3.732 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.285 -5.045 -2.065 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.401 -3.925 -3.083 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.894 -3.375 -1.691 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.722 -3.986 -3.143 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.817 -5.106 -2.097 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.284 -3.220 -0.695 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.163 -2.002 -1.650 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.060 -3.139 -0.617 1.00 2.00 H new ATOM 490 N GLN A 31 -5.115 -4.022 -6.136 1.00 7.06 N ATOM 491 CA GLN A 31 -6.321 -4.104 -6.929 1.00 8.67 C ATOM 492 C GLN A 31 -6.442 -5.402 -7.790 1.00 10.90 C ATOM 493 O GLN A 31 -7.496 -5.968 -8.091 1.00 9.63 O ATOM 494 CB GLN A 31 -6.483 -2.856 -7.814 1.00 9.12 C ATOM 495 CG GLN A 31 -7.792 -2.722 -8.580 1.00 10.76 C ATOM 496 CD GLN A 31 -7.944 -1.533 -9.433 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.045 -0.977 -9.407 1.00 14.48 O ATOM 498 NE2 GLN A 31 -6.905 -1.150 -10.168 1.00 14.76 N ATOM 0 H GLN A 31 -4.572 -3.184 -6.344 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.136 -4.150 -6.206 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.367 -1.975 -7.183 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.665 -2.842 -8.534 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.911 -3.606 -9.206 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.610 -2.729 -7.859 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.030 -1.672 -10.126 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -6.983 -0.334 -10.774 1.00 14.76 H new ATOM 507 N ASP A 32 -5.272 -5.835 -8.283 1.00 10.93 N ATOM 508 CA ASP A 32 -5.210 -7.144 -8.963 1.00 14.01 C ATOM 509 C ASP A 32 -5.551 -8.296 -8.030 1.00 14.04 C ATOM 510 O ASP A 32 -6.323 -9.195 -8.449 1.00 13.39 O ATOM 511 CB ASP A 32 -3.846 -7.403 -9.650 1.00 18.01 C ATOM 512 CG ASP A 32 -3.994 -8.455 -10.772 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.689 -8.096 -11.768 1.00 26.29 O ATOM 514 OD2 ASP A 32 -3.432 -9.544 -10.656 1.00 25.17 O ATOM 0 H ASP A 32 -4.389 -5.326 -8.230 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.970 -7.097 -9.743 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.459 -6.472 -10.065 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.121 -7.749 -8.913 1.00 18.01 H new ATOM 519 N LYS A 33 -4.937 -8.361 -6.813 1.00 14.22 N ATOM 520 CA LYS A 33 -5.182 -9.344 -5.809 1.00 14.00 C ATOM 521 C LYS A 33 -6.580 -9.322 -5.205 1.00 12.37 C ATOM 522 O LYS A 33 -7.108 -10.393 -5.001 1.00 12.17 O ATOM 523 CB LYS A 33 -4.267 -9.043 -4.607 1.00 18.62 C ATOM 524 CG LYS A 33 -2.814 -8.948 -4.990 1.00 24.00 C ATOM 525 CD LYS A 33 -2.207 -10.334 -5.393 1.00 27.61 C ATOM 526 CE LYS A 33 -0.679 -10.331 -5.257 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.089 -11.695 -5.471 1.00 30.06 N ATOM 0 H LYS A 33 -4.232 -7.681 -6.529 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.021 -10.298 -6.311 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.578 -8.106 -4.145 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.390 -9.825 -3.857 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.706 -8.252 -5.822 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.248 -8.536 -4.155 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.629 -11.116 -4.762 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.483 -10.570 -6.421 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.253 -9.635 -5.980 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.405 -9.969 -4.266 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.945 -11.646 -5.370 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.475 -12.355 -4.766 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.328 -12.031 -6.426 1.00 30.06 H new ATOM 541 N GLU A 34 -7.150 -8.117 -4.907 1.00 10.11 N ATOM 542 CA GLU A 34 -8.368 -8.032 -4.154 1.00 10.07 C ATOM 543 C GLU A 34 -9.516 -7.293 -4.858 1.00 9.32 C ATOM 544 O GLU A 34 -10.630 -7.238 -4.332 1.00 11.61 O ATOM 545 CB GLU A 34 -8.041 -7.351 -2.841 1.00 14.77 C ATOM 546 CG GLU A 34 -6.837 -7.953 -2.015 1.00 18.75 C ATOM 547 CD GLU A 34 -7.201 -9.393 -1.615 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.369 -9.569 -1.149 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.400 -10.306 -1.684 1.00 25.19 O ATOM 0 H GLU A 34 -6.763 -7.216 -5.189 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.738 -9.048 -4.018 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.824 -6.303 -3.045 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.932 -7.376 -2.213 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.925 -7.943 -2.611 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.645 -7.349 -1.128 1.00 18.75 H new ATOM 556 N GLY A 35 -9.291 -6.681 -6.026 1.00 7.22 N ATOM 557 CA GLY A 35 -10.360 -5.881 -6.703 1.00 6.29 C ATOM 558 C GLY A 35 -10.784 -4.568 -6.182 1.00 6.93 C ATOM 559 O GLY A 35 -11.734 -3.993 -6.630 1.00 7.41 O ATOM 0 H GLY A 35 -8.403 -6.712 -6.527 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.035 -5.724 -7.732 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.250 -6.509 -6.742 1.00 6.29 H new ATOM 563 N ILE A 36 -10.024 -4.050 -5.196 1.00 5.86 N ATOM 564 CA ILE A 36 -10.302 -2.790 -4.535 1.00 6.07 C ATOM 565 C ILE A 36 -9.739 -1.599 -5.335 1.00 6.36 C ATOM 566 O ILE A 36 -8.529 -1.491 -5.552 1.00 6.18 O ATOM 567 CB ILE A 36 -9.607 -2.775 -3.135 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.849 -4.069 -2.317 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.167 -1.631 -2.292 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.247 -4.125 -0.904 1.00 9.49 C ATOM 0 H ILE A 36 -9.188 -4.515 -4.841 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.385 -2.696 -4.449 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.541 -2.670 -3.338 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.925 -4.220 -2.233 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.453 -4.909 -2.887 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.679 -1.625 -1.317 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.982 -0.683 -2.796 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.240 -1.768 -2.160 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.490 -5.082 -0.443 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.164 -4.016 -0.965 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.659 -3.316 -0.301 1.00 9.49 H new ATOM 582 N PRO A 37 -10.570 -0.583 -5.744 1.00 8.65 N ATOM 583 CA PRO A 37 -10.071 0.733 -6.155 1.00 9.18 C ATOM 584 C PRO A 37 -8.849 1.321 -5.538 1.00 9.85 C ATOM 585 O PRO A 37 -8.749 1.282 -4.286 1.00 8.51 O ATOM 586 CB PRO A 37 -11.308 1.628 -5.971 1.00 11.42 C ATOM 587 CG PRO A 37 -12.526 0.734 -6.237 1.00 9.27 C ATOM 588 CD PRO A 37 -12.059 -0.586 -5.582 1.00 8.33 C ATOM 0 HA PRO A 37 -9.669 0.635 -7.163 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.342 2.043 -4.964 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.285 2.471 -6.662 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.434 1.125 -5.779 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.730 0.618 -7.301 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.343 -0.629 -4.531 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.509 -1.451 -6.069 1.00 8.33 H new ATOM 596 N PRO A 38 -7.902 1.966 -6.219 1.00 8.71 N ATOM 597 CA PRO A 38 -6.778 2.621 -5.530 1.00 9.08 C ATOM 598 C PRO A 38 -7.132 3.911 -4.830 1.00 9.28 C ATOM 599 O PRO A 38 -6.408 4.257 -3.898 1.00 6.50 O ATOM 600 CB PRO A 38 -5.855 2.914 -6.641 1.00 10.31 C ATOM 601 CG PRO A 38 -6.000 1.717 -7.547 1.00 10.81 C ATOM 602 CD PRO A 38 -7.504 1.580 -7.572 1.00 12.00 C ATOM 0 HA PRO A 38 -6.389 1.984 -4.736 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.123 3.839 -7.152 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.829 3.030 -6.290 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.582 1.893 -8.538 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.508 0.830 -7.146 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.954 2.229 -8.324 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.811 0.560 -7.806 1.00 12.00 H new ATOM 610 N ASP A 39 -8.235 4.612 -5.231 1.00 11.20 N ATOM 611 CA ASP A 39 -8.861 5.727 -4.590 1.00 14.96 C ATOM 612 C ASP A 39 -9.354 5.412 -3.193 1.00 13.99 C ATOM 613 O ASP A 39 -9.329 6.364 -2.318 1.00 13.75 O ATOM 614 CB ASP A 39 -10.006 6.348 -5.417 1.00 24.16 C ATOM 615 CG ASP A 39 -9.473 7.043 -6.648 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.557 7.901 -6.469 1.00 34.22 O ATOM 617 OD2 ASP A 39 -9.945 6.786 -7.788 1.00 35.55 O ATOM 0 H ASP A 39 -8.723 4.360 -6.090 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.064 6.467 -4.512 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.710 5.569 -5.711 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.557 7.061 -4.803 1.00 24.16 H new ATOM 622 N GLN A 40 -9.821 4.192 -2.999 1.00 11.60 N ATOM 623 CA GLN A 40 -10.407 3.615 -1.774 1.00 10.76 C ATOM 624 C GLN A 40 -9.351 3.151 -0.793 1.00 8.01 C ATOM 625 O GLN A 40 -9.306 3.422 0.433 1.00 8.96 O ATOM 626 CB GLN A 40 -11.404 2.511 -2.034 1.00 11.14 C ATOM 627 CG GLN A 40 -12.226 2.177 -0.801 1.00 14.85 C ATOM 628 CD GLN A 40 -13.058 0.897 -1.118 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.083 0.490 -2.276 1.00 20.52 O ATOM 630 NE2 GLN A 40 -13.604 0.198 -0.101 1.00 18.16 N ATOM 0 H GLN A 40 -9.804 3.508 -3.755 1.00 11.60 H new ATOM 0 HA GLN A 40 -10.960 4.438 -1.322 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.071 2.809 -2.843 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -10.876 1.618 -2.369 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -11.576 2.008 0.058 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.884 3.007 -0.544 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -13.565 0.566 0.849 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.055 -0.698 -0.283 1.00 18.16 H new ATOM 639 N GLN A 41 -8.307 2.460 -1.337 1.00 6.52 N ATOM 640 CA GLN A 41 -7.171 2.002 -0.612 1.00 3.87 C ATOM 641 C GLN A 41 -6.379 3.086 0.058 1.00 4.79 C ATOM 642 O GLN A 41 -6.011 4.038 -0.601 1.00 6.34 O ATOM 643 CB GLN A 41 -6.215 1.380 -1.629 1.00 4.20 C ATOM 644 CG GLN A 41 -6.727 -0.033 -2.060 1.00 3.20 C ATOM 645 CD GLN A 41 -5.750 -0.632 -2.947 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.567 -0.833 -2.587 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.140 -0.950 -4.209 1.00 7.13 N ATOM 0 H GLN A 41 -8.270 2.219 -2.327 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.547 1.328 0.158 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.132 2.026 -2.503 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.218 1.297 -1.197 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -6.878 -0.663 -1.184 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.691 0.051 -2.562 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.103 -0.786 -4.502 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.470 -1.353 -4.864 1.00 7.13 H new ATOM 656 N ARG A 42 -6.121 3.074 1.380 1.00 5.73 N ATOM 657 CA ARG A 42 -5.188 3.987 2.008 1.00 6.97 C ATOM 658 C ARG A 42 -4.110 3.160 2.812 1.00 7.15 C ATOM 659 O ARG A 42 -4.383 2.477 3.776 1.00 7.33 O ATOM 660 CB ARG A 42 -5.762 5.112 2.847 1.00 13.23 C ATOM 661 CG ARG A 42 -6.664 6.178 2.122 1.00 21.27 C ATOM 662 CD ARG A 42 -7.052 7.202 3.104 1.00 26.14 C ATOM 663 NE ARG A 42 -7.288 8.430 2.337 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.077 9.433 2.763 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.992 9.253 3.755 1.00 35.30 N ATOM 666 NH2 ARG A 42 -7.960 10.665 2.153 1.00 36.39 N ATOM 0 H ARG A 42 -6.562 2.424 2.031 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.739 4.531 1.177 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.349 4.666 3.650 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.931 5.639 3.315 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.122 6.633 1.293 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.549 5.702 1.700 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.949 6.902 3.646 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.266 7.350 3.845 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.829 8.529 1.432 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.093 8.339 4.196 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.577 10.032 4.057 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.287 10.798 1.398 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.546 11.442 2.457 1.00 36.39 H new ATOM 680 N LEU A 43 -2.828 3.391 2.438 1.00 4.65 N ATOM 681 CA LEU A 43 -1.650 2.673 2.917 1.00 3.51 C ATOM 682 C LEU A 43 -0.945 3.408 4.055 1.00 5.56 C ATOM 683 O LEU A 43 -0.669 4.595 3.926 1.00 4.19 O ATOM 684 CB LEU A 43 -0.629 2.342 1.817 1.00 3.74 C ATOM 685 CG LEU A 43 -1.317 1.348 0.803 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.371 1.036 -0.327 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.627 -0.021 1.491 1.00 6.41 C ATOM 0 H LEU A 43 -2.590 4.118 1.763 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.048 1.729 3.289 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.311 3.250 1.305 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.264 1.890 2.248 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.231 1.826 0.452 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.851 0.349 -1.024 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.109 1.957 -0.847 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.533 0.575 0.072 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.101 -0.690 0.773 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.699 -0.468 1.846 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.298 0.140 2.335 1.00 6.41 H new ATOM 699 N ILE A 44 -0.724 2.601 5.149 1.00 4.58 N ATOM 700 CA ILE A 44 -0.207 3.127 6.386 1.00 5.55 C ATOM 701 C ILE A 44 1.101 2.426 6.736 1.00 5.46 C ATOM 702 O ILE A 44 1.241 1.208 6.585 1.00 6.04 O ATOM 703 CB ILE A 44 -1.148 2.789 7.550 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.581 3.418 7.276 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.572 3.184 8.907 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.695 4.908 7.633 1.00 13.90 C ATOM 0 H ILE A 44 -0.906 1.597 5.162 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.089 4.202 6.253 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.258 1.706 7.602 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.826 3.289 6.222 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.325 2.862 7.847 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.280 2.922 9.693 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.366 2.654 9.072 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.390 4.259 8.926 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.704 5.258 7.416 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.484 5.045 8.694 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -1.978 5.479 7.043 1.00 13.90 H new ATOM 718 N PHE A 45 2.183 3.169 7.061 1.00 6.75 N ATOM 719 CA PHE A 45 3.380 2.577 7.494 1.00 4.70 C ATOM 720 C PHE A 45 3.842 3.218 8.794 1.00 6.34 C ATOM 721 O PHE A 45 4.263 4.370 8.742 1.00 5.45 O ATOM 722 CB PHE A 45 4.493 2.693 6.366 1.00 5.51 C ATOM 723 CG PHE A 45 5.748 1.925 6.647 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.666 0.620 7.083 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.953 2.581 6.503 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.816 -0.101 7.354 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.117 1.928 6.794 1.00 6.64 C ATOM 728 CZ PHE A 45 8.041 0.502 7.220 1.00 6.84 C ATOM 0 H PHE A 45 2.209 4.188 7.017 1.00 6.75 H new ATOM 0 HA PHE A 45 3.205 1.518 7.683 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.073 2.345 5.422 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.748 3.744 6.232 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.699 0.157 7.214 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.976 3.605 6.162 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.749 -1.132 7.669 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.069 2.433 6.717 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.945 -0.053 7.422 1.00 6.84 H new ATOM 738 N ALA A 46 3.897 2.516 9.918 1.00 6.53 N ATOM 739 CA ALA A 46 4.471 2.995 11.211 1.00 7.15 C ATOM 740 C ALA A 46 3.746 4.245 11.735 1.00 9.00 C ATOM 741 O ALA A 46 4.325 5.195 12.277 1.00 11.15 O ATOM 742 CB ALA A 46 6.012 3.229 11.121 1.00 8.99 C ATOM 0 H ALA A 46 3.537 1.564 9.978 1.00 6.53 H new ATOM 0 HA ALA A 46 4.308 2.197 11.935 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.384 3.577 12.085 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.507 2.295 10.856 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.222 3.979 10.359 1.00 8.99 H new ATOM 748 N GLY A 47 2.435 4.182 11.700 1.00 9.35 N ATOM 749 CA GLY A 47 1.573 5.246 12.190 1.00 11.68 C ATOM 750 C GLY A 47 1.249 6.396 11.298 1.00 11.14 C ATOM 751 O GLY A 47 0.590 7.293 11.792 1.00 13.93 O ATOM 0 H GLY A 47 1.925 3.382 11.326 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.630 4.790 12.491 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.033 5.651 13.091 1.00 11.68 H new ATOM 755 N LYS A 48 1.724 6.411 10.020 1.00 10.47 N ATOM 756 CA LYS A 48 1.670 7.476 9.107 1.00 8.82 C ATOM 757 C LYS A 48 1.128 7.013 7.820 1.00 7.68 C ATOM 758 O LYS A 48 1.411 5.878 7.372 1.00 6.47 O ATOM 759 CB LYS A 48 3.128 7.980 8.833 1.00 9.74 C ATOM 760 CG LYS A 48 3.220 9.229 7.939 1.00 14.14 C ATOM 761 CD LYS A 48 4.500 9.980 8.153 1.00 16.32 C ATOM 762 CE LYS A 48 4.747 11.231 7.258 1.00 20.04 C ATOM 763 NZ LYS A 48 4.918 10.869 5.837 1.00 23.92 N ATOM 0 H LYS A 48 2.181 5.592 9.619 1.00 10.47 H new ATOM 0 HA LYS A 48 1.042 8.263 9.525 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.608 8.197 9.787 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.695 7.174 8.367 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.144 8.932 6.893 1.00 14.14 H new ATOM 0 HG3 LYS A 48 2.375 9.886 8.146 1.00 14.14 H new ATOM 0 HD2 LYS A 48 4.536 10.297 9.195 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.328 9.287 8.002 1.00 16.32 H new ATOM 0 HE2 LYS A 48 3.908 11.920 7.358 1.00 20.04 H new ATOM 0 HE3 LYS A 48 5.635 11.757 7.608 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 5.080 11.730 5.277 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 5.734 10.232 5.737 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 4.061 10.390 5.495 1.00 23.92 H new ATOM 777 N GLN A 49 0.273 7.846 7.163 1.00 8.89 N ATOM 778 CA GLN A 49 -0.511 7.579 5.954 1.00 7.18 C ATOM 779 C GLN A 49 0.237 7.987 4.722 1.00 8.23 C ATOM 780 O GLN A 49 0.558 9.128 4.456 1.00 9.70 O ATOM 781 CB GLN A 49 -1.844 8.347 6.010 1.00 11.67 C ATOM 782 CG GLN A 49 -2.931 7.950 4.984 1.00 15.82 C ATOM 783 CD GLN A 49 -4.234 8.717 5.156 1.00 20.21 C ATOM 784 OE1 GLN A 49 -5.100 8.263 5.872 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.396 9.893 4.538 1.00 20.67 N ATOM 0 H GLN A 49 0.112 8.794 7.504 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.700 6.506 5.910 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.262 8.226 7.009 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.629 9.408 5.881 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.549 8.119 3.977 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -3.132 6.882 5.074 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.657 10.260 3.939 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.259 10.422 4.666 1.00 20.67 H new ATOM 794 N LEU A 50 0.654 7.032 3.895 1.00 6.51 N ATOM 795 CA LEU A 50 1.498 7.262 2.693 1.00 7.41 C ATOM 796 C LEU A 50 0.810 8.029 1.500 1.00 8.27 C ATOM 797 O LEU A 50 -0.371 7.918 1.226 1.00 8.34 O ATOM 798 CB LEU A 50 2.181 6.002 2.126 1.00 7.13 C ATOM 799 CG LEU A 50 2.919 5.191 3.211 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.731 4.004 2.748 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.884 6.065 4.065 1.00 9.11 C ATOM 0 H LEU A 50 0.417 6.049 4.032 1.00 6.51 H new ATOM 0 HA LEU A 50 2.256 7.918 3.120 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.432 5.369 1.651 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.889 6.294 1.351 1.00 7.13 H new ATOM 0 HG LEU A 50 2.073 4.815 3.786 1.00 7.53 H new ATOM 0 HD11 LEU A 50 4.197 3.524 3.609 1.00 8.14 H new ATOM 0 HD12 LEU A 50 3.079 3.291 2.244 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.505 4.339 2.057 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.375 5.441 4.812 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.636 6.516 3.417 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.317 6.851 4.565 1.00 9.11 H new ATOM 813 N GLU A 51 1.688 8.764 0.714 1.00 9.43 N ATOM 814 CA GLU A 51 1.207 9.667 -0.250 1.00 11.90 C ATOM 815 C GLU A 51 1.476 9.099 -1.655 1.00 11.49 C ATOM 816 O GLU A 51 2.557 8.626 -1.982 1.00 9.88 O ATOM 817 CB GLU A 51 1.871 11.011 -0.004 1.00 16.56 C ATOM 818 CG GLU A 51 1.410 11.708 1.352 1.00 26.06 C ATOM 819 CD GLU A 51 2.101 13.046 1.510 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.849 13.973 0.706 1.00 32.13 O ATOM 821 OE2 GLU A 51 3.045 13.198 2.341 1.00 33.44 O ATOM 0 H GLU A 51 2.704 8.705 0.776 1.00 9.43 H new ATOM 0 HA GLU A 51 0.129 9.810 -0.176 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.952 10.875 0.016 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.649 11.676 -0.839 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.329 11.846 1.350 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.647 11.065 2.200 1.00 26.06 H new ATOM 828 N ASP A 52 0.388 9.191 -2.494 1.00 12.71 N ATOM 829 CA ASP A 52 0.155 8.392 -3.660 1.00 16.56 C ATOM 830 C ASP A 52 1.435 8.317 -4.524 1.00 15.83 C ATOM 831 O ASP A 52 1.888 7.225 -4.852 1.00 17.21 O ATOM 832 CB ASP A 52 -1.071 8.985 -4.389 1.00 21.05 C ATOM 833 CG ASP A 52 -2.402 8.724 -3.761 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.606 9.061 -2.572 1.00 25.82 O ATOM 835 OD2 ASP A 52 -3.391 8.243 -4.384 1.00 28.37 O ATOM 0 H ASP A 52 -0.359 9.867 -2.332 1.00 12.71 H new ATOM 0 HA ASP A 52 -0.073 7.356 -3.409 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.935 10.064 -4.467 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.089 8.592 -5.405 1.00 21.05 H new ATOM 840 N GLY A 53 2.015 9.505 -4.913 1.00 15.00 N ATOM 841 CA GLY A 53 3.132 9.604 -5.845 1.00 11.77 C ATOM 842 C GLY A 53 4.435 9.316 -5.330 1.00 11.10 C ATOM 843 O GLY A 53 5.442 9.424 -6.083 1.00 11.25 O ATOM 0 H GLY A 53 1.697 10.411 -4.569 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.940 8.927 -6.677 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.145 10.615 -6.252 1.00 11.77 H new ATOM 847 N ARG A 54 4.592 8.954 -4.043 1.00 8.53 N ATOM 848 CA ARG A 54 5.889 8.513 -3.518 1.00 9.05 C ATOM 849 C ARG A 54 6.243 7.090 -3.782 1.00 8.96 C ATOM 850 O ARG A 54 5.384 6.214 -4.042 1.00 11.60 O ATOM 851 CB ARG A 54 5.881 8.619 -2.002 1.00 7.97 C ATOM 852 CG ARG A 54 5.402 9.977 -1.496 1.00 9.62 C ATOM 853 CD ARG A 54 6.308 11.140 -2.090 1.00 12.20 C ATOM 854 NE ARG A 54 6.053 12.454 -1.382 1.00 18.23 N ATOM 855 CZ ARG A 54 4.866 13.064 -1.302 1.00 22.08 C ATOM 856 NH1 ARG A 54 3.926 13.044 -2.235 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.555 13.786 -0.202 1.00 23.38 N ATOM 0 H ARG A 54 3.839 8.959 -3.355 1.00 8.53 H new ATOM 0 HA ARG A 54 6.606 9.157 -4.027 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.239 7.839 -1.593 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.887 8.433 -1.626 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.363 10.134 -1.784 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.438 10.000 -0.407 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.360 10.870 -1.992 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.106 11.253 -3.155 1.00 12.20 H new ATOM 0 HE ARG A 54 6.847 12.908 -0.932 1.00 18.23 H new ATOM 0 HH11 ARG A 54 4.080 12.532 -3.103 1.00 25.50 H new ATOM 0 HH12 ARG A 54 3.048 13.541 -2.085 1.00 25.50 H new ATOM 0 HH21 ARG A 54 5.225 13.864 0.563 1.00 23.38 H new ATOM 0 HH22 ARG A 54 3.650 14.253 -0.137 1.00 23.38 H new ATOM 871 N THR A 55 7.535 6.729 -3.671 1.00 9.05 N ATOM 872 CA THR A 55 7.983 5.310 -3.935 1.00 9.03 C ATOM 873 C THR A 55 8.439 4.663 -2.707 1.00 8.15 C ATOM 874 O THR A 55 8.644 5.219 -1.591 1.00 5.91 O ATOM 875 CB THR A 55 9.202 5.421 -4.895 1.00 11.15 C ATOM 876 OG1 THR A 55 10.401 5.995 -4.421 1.00 11.95 O ATOM 877 CG2 THR A 55 8.850 6.181 -6.191 1.00 11.71 C ATOM 0 H THR A 55 8.286 7.368 -3.408 1.00 9.05 H new ATOM 0 HA THR A 55 7.160 4.725 -4.345 1.00 9.03 H new ATOM 0 HB THR A 55 9.410 4.361 -5.040 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.307 6.970 -4.389 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.730 6.235 -6.832 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.051 5.656 -6.715 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.520 7.190 -5.943 1.00 11.71 H new ATOM 885 N LEU A 56 8.477 3.323 -2.676 1.00 6.91 N ATOM 886 CA LEU A 56 9.036 2.458 -1.610 1.00 8.29 C ATOM 887 C LEU A 56 10.456 2.876 -1.126 1.00 8.05 C ATOM 888 O LEU A 56 10.792 2.946 0.057 1.00 10.17 O ATOM 889 CB LEU A 56 8.930 0.982 -2.121 1.00 6.60 C ATOM 890 CG LEU A 56 7.447 0.471 -2.367 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.530 -0.847 -3.055 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.429 0.451 -1.221 1.00 8.64 C ATOM 0 H LEU A 56 8.094 2.771 -3.444 1.00 6.91 H new ATOM 0 HA LEU A 56 8.455 2.571 -0.695 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.490 0.893 -3.052 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.411 0.325 -1.396 1.00 6.60 H new ATOM 0 HG LEU A 56 7.001 1.261 -2.971 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.524 -1.226 -3.239 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.052 -0.730 -4.004 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.074 -1.552 -2.426 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.476 0.070 -1.588 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.794 -0.194 -0.421 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.292 1.462 -0.838 1.00 8.64 H new ATOM 904 N SER A 57 11.231 3.331 -2.143 1.00 8.92 N ATOM 905 CA SER A 57 12.598 3.899 -1.974 1.00 9.00 C ATOM 906 C SER A 57 12.611 5.215 -1.194 1.00 9.44 C ATOM 907 O SER A 57 13.502 5.457 -0.344 1.00 10.91 O ATOM 908 CB SER A 57 13.389 3.956 -3.282 1.00 10.32 C ATOM 909 OG SER A 57 14.763 4.247 -3.162 1.00 13.59 O ATOM 0 H SER A 57 10.923 3.315 -3.115 1.00 8.92 H new ATOM 0 HA SER A 57 13.136 3.190 -1.344 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.284 2.997 -3.789 1.00 10.32 H new ATOM 0 HB3 SER A 57 12.934 4.708 -3.926 1.00 10.32 H new ATOM 0 HG SER A 57 15.174 4.258 -4.052 1.00 13.59 H new ATOM 915 N ASP A 58 11.627 6.164 -1.440 1.00 9.11 N ATOM 916 CA ASP A 58 11.474 7.396 -0.691 1.00 7.91 C ATOM 917 C ASP A 58 11.227 7.263 0.811 1.00 9.12 C ATOM 918 O ASP A 58 11.759 8.002 1.626 1.00 8.61 O ATOM 919 CB ASP A 58 10.323 8.196 -1.340 1.00 8.41 C ATOM 920 CG ASP A 58 10.539 8.654 -2.745 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.504 9.355 -3.035 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.673 8.445 -3.612 1.00 11.70 O ATOM 0 H ASP A 58 10.932 6.055 -2.179 1.00 9.11 H new ATOM 0 HA ASP A 58 12.439 7.900 -0.747 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.424 7.580 -1.316 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.126 9.072 -0.722 1.00 8.41 H new ATOM 927 N TYR A 59 10.479 6.174 1.129 1.00 7.97 N ATOM 928 CA TYR A 59 10.213 5.800 2.547 1.00 8.45 C ATOM 929 C TYR A 59 11.331 4.822 3.144 1.00 10.98 C ATOM 930 O TYR A 59 11.404 4.735 4.348 1.00 12.95 O ATOM 931 CB TYR A 59 8.876 5.105 2.694 1.00 7.94 C ATOM 932 CG TYR A 59 7.846 6.109 2.260 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.633 7.280 3.056 1.00 4.59 C ATOM 934 CD2 TYR A 59 7.113 5.933 1.083 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.670 8.179 2.720 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.981 6.809 0.877 1.00 6.52 C ATOM 937 CZ TYR A 59 5.788 7.922 1.715 1.00 6.76 C ATOM 938 OH TYR A 59 4.612 8.713 1.543 1.00 7.63 O ATOM 0 H TYR A 59 10.057 5.551 0.441 1.00 7.97 H new ATOM 0 HA TYR A 59 10.220 6.740 3.099 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.832 4.207 2.078 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.708 4.793 3.725 1.00 7.94 H new ATOM 0 HD1 TYR A 59 8.243 7.451 3.931 1.00 4.59 H new ATOM 0 HD2 TYR A 59 7.380 5.177 0.360 1.00 6.98 H new ATOM 0 HE1 TYR A 59 6.604 9.112 3.259 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.282 6.608 0.078 1.00 6.52 H new ATOM 0 HH TYR A 59 4.782 9.625 1.859 1.00 7.63 H new ATOM 948 N ASN A 60 12.083 4.155 2.256 1.00 12.38 N ATOM 949 CA ASN A 60 13.165 3.300 2.654 1.00 13.94 C ATOM 950 C ASN A 60 12.604 1.978 3.120 1.00 14.16 C ATOM 951 O ASN A 60 13.056 1.334 4.078 1.00 14.26 O ATOM 952 CB ASN A 60 14.256 3.741 3.637 1.00 19.23 C ATOM 953 CG ASN A 60 15.053 4.909 2.974 1.00 22.65 C ATOM 954 OD1 ASN A 60 15.671 4.719 1.909 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.986 6.069 3.584 1.00 24.09 N ATOM 0 H ASN A 60 11.943 4.206 1.247 1.00 12.38 H new ATOM 0 HA ASN A 60 13.736 3.289 1.726 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.813 4.067 4.578 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.920 2.909 3.869 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.457 6.882 3.187 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.462 6.158 4.455 1.00 24.09 H new ATOM 962 N ILE A 61 11.630 1.428 2.364 1.00 11.08 N ATOM 963 CA ILE A 61 10.837 0.231 2.715 1.00 11.78 C ATOM 964 C ILE A 61 11.637 -0.904 2.098 1.00 13.74 C ATOM 965 O ILE A 61 11.864 -0.865 0.894 1.00 14.60 O ATOM 966 CB ILE A 61 9.368 0.282 2.237 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.632 1.242 3.138 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.814 -1.151 2.284 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.333 1.780 2.462 1.00 11.42 C ATOM 0 H ILE A 61 11.365 1.819 1.460 1.00 11.08 H new ATOM 0 HA ILE A 61 10.710 0.123 3.792 1.00 11.78 H new ATOM 0 HB ILE A 61 9.257 0.641 1.214 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.377 0.742 4.073 1.00 11.56 H new ATOM 0 HG13 ILE A 61 9.284 2.078 3.391 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.776 -1.151 1.952 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.405 -1.791 1.629 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.868 -1.529 3.305 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.829 2.469 3.140 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.592 2.302 1.541 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.670 0.946 2.233 1.00 11.42 H new ATOM 981 N GLN A 62 12.156 -1.880 2.876 1.00 13.97 N ATOM 982 CA GLN A 62 12.954 -3.005 2.410 1.00 15.52 C ATOM 983 C GLN A 62 12.220 -4.324 2.420 1.00 13.94 C ATOM 984 O GLN A 62 11.248 -4.444 3.101 1.00 12.15 O ATOM 985 CB GLN A 62 14.361 -3.044 3.221 1.00 19.53 C ATOM 986 CG GLN A 62 15.264 -1.759 3.162 1.00 26.38 C ATOM 987 CD GLN A 62 16.656 -2.135 3.711 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.885 -3.199 4.282 1.00 33.23 O ATOM 989 NE2 GLN A 62 17.669 -1.294 3.431 1.00 32.71 N ATOM 0 H GLN A 62 12.017 -1.893 3.886 1.00 13.97 H new ATOM 0 HA GLN A 62 13.169 -2.845 1.354 1.00 15.52 H new ATOM 0 HB2 GLN A 62 14.141 -3.254 4.268 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.945 -3.884 2.844 1.00 19.53 H new ATOM 0 HG2 GLN A 62 15.343 -1.394 2.138 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.824 -0.956 3.753 1.00 26.38 H new ATOM 0 HE21 GLN A 62 17.482 -0.410 2.957 1.00 32.71 H new ATOM 0 HE22 GLN A 62 18.624 -1.540 3.693 1.00 32.71 H new ATOM 998 N LYS A 63 12.708 -5.364 1.671 1.00 11.73 N ATOM 999 CA LYS A 63 12.312 -6.759 1.670 1.00 11.97 C ATOM 1000 C LYS A 63 11.757 -7.273 2.951 1.00 10.41 C ATOM 1001 O LYS A 63 12.338 -7.192 4.051 1.00 9.59 O ATOM 1002 CB LYS A 63 13.349 -7.716 1.116 1.00 13.73 C ATOM 1003 CG LYS A 63 14.683 -7.855 1.909 1.00 16.98 C ATOM 1004 CD LYS A 63 15.720 -8.677 1.155 1.00 20.19 C ATOM 1005 CE LYS A 63 16.982 -9.020 1.933 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.684 -7.791 2.354 1.00 25.97 N ATOM 0 H LYS A 63 13.458 -5.201 0.999 1.00 11.73 H new ATOM 0 HA LYS A 63 11.482 -6.738 0.964 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.894 -8.704 1.045 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.590 -7.402 0.100 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.087 -6.863 2.113 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.483 -8.322 2.873 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.253 -9.606 0.828 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.006 -8.131 0.256 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.725 -9.616 2.808 1.00 23.42 H new ATOM 0 HE3 LYS A 63 17.642 -9.629 1.315 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.560 -8.045 2.854 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.917 -7.220 1.517 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.071 -7.241 2.989 1.00 25.97 H new ATOM 1020 N GLU A 64 10.494 -7.751 2.799 1.00 10.04 N ATOM 1021 CA GLU A 64 9.763 -8.392 3.833 1.00 10.94 C ATOM 1022 C GLU A 64 8.952 -7.436 4.754 1.00 9.74 C ATOM 1023 O GLU A 64 8.309 -7.913 5.709 1.00 9.42 O ATOM 1024 CB GLU A 64 10.489 -9.486 4.592 1.00 18.31 C ATOM 1025 CG GLU A 64 11.169 -10.534 3.678 1.00 24.16 C ATOM 1026 CD GLU A 64 11.929 -11.589 4.401 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.637 -11.219 5.413 1.00 31.72 O ATOM 1028 OE2 GLU A 64 11.847 -12.752 4.017 1.00 32.61 O ATOM 0 H GLU A 64 9.978 -7.682 1.922 1.00 10.04 H new ATOM 0 HA GLU A 64 9.016 -8.938 3.257 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.245 -9.031 5.232 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.780 -9.993 5.246 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.405 -11.011 3.065 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.847 -10.018 2.998 1.00 24.16 H new ATOM 1035 N SER A 65 9.058 -6.103 4.495 1.00 6.85 N ATOM 1036 CA SER A 65 8.320 -5.163 5.275 1.00 6.90 C ATOM 1037 C SER A 65 6.826 -5.326 5.191 1.00 4.72 C ATOM 1038 O SER A 65 6.312 -5.766 4.144 1.00 3.91 O ATOM 1039 CB SER A 65 8.649 -3.713 4.996 1.00 7.28 C ATOM 1040 OG SER A 65 9.987 -3.475 5.397 1.00 10.56 O ATOM 0 H SER A 65 9.641 -5.697 3.763 1.00 6.85 H new ATOM 0 HA SER A 65 8.651 -5.409 6.284 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.526 -3.493 3.936 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.968 -3.058 5.539 1.00 7.28 H new ATOM 0 HG SER A 65 10.598 -3.766 4.688 1.00 10.56 H new ATOM 1046 N THR A 66 6.094 -5.025 6.290 1.00 4.48 N ATOM 1047 CA THR A 66 4.587 -5.049 6.303 1.00 3.80 C ATOM 1048 C THR A 66 4.125 -3.595 6.267 1.00 4.60 C ATOM 1049 O THR A 66 4.675 -2.678 6.936 1.00 5.33 O ATOM 1050 CB THR A 66 4.024 -5.707 7.597 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.322 -7.100 7.661 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.493 -5.561 7.734 1.00 3.40 C ATOM 0 H THR A 66 6.509 -4.762 7.184 1.00 4.48 H new ATOM 0 HA THR A 66 4.230 -5.630 5.453 1.00 3.80 H new ATOM 0 HB THR A 66 4.515 -5.171 8.410 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.954 -7.476 8.488 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.163 -6.040 8.656 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.229 -4.504 7.760 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.005 -6.036 6.883 1.00 3.40 H new ATOM 1060 N LEU A 67 3.058 -3.363 5.508 1.00 4.17 N ATOM 1061 CA LEU A 67 2.362 -2.114 5.389 1.00 3.85 C ATOM 1062 C LEU A 67 0.951 -2.505 5.666 1.00 3.80 C ATOM 1063 O LEU A 67 0.586 -3.663 5.588 1.00 5.54 O ATOM 1064 CB LEU A 67 2.348 -1.520 3.898 1.00 7.18 C ATOM 1065 CG LEU A 67 3.720 -1.461 3.206 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.785 -0.602 4.022 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.391 -2.787 2.734 1.00 11.66 C ATOM 0 H LEU A 67 2.642 -4.094 4.931 1.00 4.17 H new ATOM 0 HA LEU A 67 2.823 -1.367 6.035 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.677 -2.125 3.289 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.930 -0.514 3.928 1.00 7.18 H new ATOM 0 HG LEU A 67 3.429 -0.969 2.278 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.734 -0.595 3.486 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.422 0.420 4.130 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.928 -1.042 5.009 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.351 -2.563 2.268 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.548 -3.441 3.592 1.00 11.66 H new ATOM 0 HD23 LEU A 67 3.744 -3.285 2.012 1.00 11.66 H new ATOM 1079 N HIS A 68 0.197 -1.505 6.112 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.150 -1.706 6.505 1.00 4.17 C ATOM 1081 C HIS A 68 -2.073 -0.920 5.545 1.00 5.32 C ATOM 1082 O HIS A 68 -1.776 0.147 5.036 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.434 -1.207 7.962 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.991 -2.289 8.908 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.373 -2.337 9.351 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.554 -3.351 9.504 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.517 -3.360 10.159 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.626 -4.035 10.309 1.00 16.30 N ATOM 0 H HIS A 68 0.523 -0.543 6.202 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.341 -2.779 6.469 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.896 -0.280 8.161 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.495 -0.994 8.094 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -2.587 -3.643 9.381 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.445 -3.624 10.643 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -0.789 -4.864 10.881 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.220 -1.522 5.314 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.262 -1.004 4.446 1.00 3.97 C ATOM 1098 C LEU A 69 -5.537 -0.759 5.257 1.00 5.07 C ATOM 1099 O LEU A 69 -6.141 -1.577 5.883 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.436 -1.983 3.300 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.593 -1.668 2.308 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.456 -0.203 1.781 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.809 -2.768 1.236 1.00 9.96 C ATOM 0 H LEU A 69 -3.463 -2.417 5.739 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.998 -0.037 4.018 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.503 -2.025 2.738 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.601 -2.976 3.718 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.542 -1.703 2.844 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.269 0.012 1.087 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.502 0.491 2.620 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.501 -0.089 1.268 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.631 -2.481 0.580 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.899 -2.886 0.647 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.049 -3.712 1.726 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.936 0.537 5.238 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.261 0.995 5.642 1.00 6.26 C ATOM 1117 C VAL A 70 -8.029 1.499 4.418 1.00 9.22 C ATOM 1118 O VAL A 70 -7.482 1.786 3.350 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.352 1.925 6.854 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.694 1.401 8.137 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.822 3.375 6.441 1.00 8.54 C ATOM 0 H VAL A 70 -5.325 1.295 4.934 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.753 0.111 6.046 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.405 1.979 7.129 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.815 2.135 8.934 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -7.167 0.464 8.432 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.632 1.231 7.958 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.884 4.043 7.300 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.786 3.303 6.111 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -7.435 3.769 5.630 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.343 1.520 4.517 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.241 1.718 3.329 1.00 16.06 C ATOM 1133 C LEU A 71 -11.087 2.992 3.490 1.00 18.09 C ATOM 1134 O LEU A 71 -11.928 3.114 4.417 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.196 0.437 3.184 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.410 -0.795 2.862 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.452 -1.926 2.616 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.418 -0.651 1.655 1.00 19.57 C ATOM 0 H LEU A 71 -9.842 1.405 5.399 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.631 1.831 2.433 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.749 0.286 4.111 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.932 0.616 2.400 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.749 -1.017 3.700 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.932 -2.853 2.376 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.053 -2.069 3.514 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.101 -1.648 1.786 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.895 -1.595 1.499 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.975 -0.392 0.755 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.693 0.134 1.871 1.00 19.57 H new