USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=16 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 -36:sc= 0.531 USER MOD Set 1.2: A 25 ASN : amide:sc= 0.493 K(o=1,f=-1.4!) USER MOD Set 2.1: A 7 THR OG1 : rot 131:sc= 1.11 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.00491 USER MOD Set 3.1: A 6 LYS NZ :NH3+ 169:sc= 0.732 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 170:sc= 0.649 USER MOD Single : A 1 MET CE :methyl -173:sc= -1.28 (180deg=-1.4) USER MOD Single : A 1 MET N :NH3+ -115:sc= 1.81 (180deg=0.503) USER MOD Single : A 2 GLN : amide:sc= 0.408 X(o=0.41,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -94:sc= 0.109 USER MOD Single : A 27 LYS NZ :NH3+ -173:sc= 1.13 (180deg=0.916) USER MOD Single : A 29 LYS NZ :NH3+ -169:sc= 0.926 (180deg=0.845) USER MOD Single : A 31 GLN : amide:sc=-0.00545 X(o=-0.0055,f=-0.17) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc=-0.00684 K(o=-0.0068,f=-0.74) USER MOD Single : A 41 GLN : amide:sc= 0.539 K(o=0.54,f=-2.9!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.859 K(o=0.86,f=-7.4!) USER MOD Single : A 55 THR OG1 : rot -60:sc= 0.615 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 150:sc= 0.557 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 62 GLN : amide:sc= -0.0798 X(o=-0.08,f=-0.2) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 170:sc= -0.0585 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -2.3! X(o=-2.3!,f=-2.3) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.038 -3.917 -2.485 1.00 0.78 N ATOM 2 CA MET A 1 12.525 -4.768 -1.388 1.00 0.70 C ATOM 3 C MET A 1 11.186 -5.331 -1.722 1.00 0.62 C ATOM 4 O MET A 1 10.541 -4.851 -2.653 1.00 0.68 O ATOM 5 CB MET A 1 12.294 -3.862 -0.167 1.00 0.75 C ATOM 6 CG MET A 1 11.403 -2.625 -0.299 1.00 0.79 C ATOM 7 SD MET A 1 12.123 -1.151 -1.084 1.00 1.10 S ATOM 8 CE MET A 1 11.345 0.023 0.062 1.00 0.84 C ATOM 0 H1 MET A 1 13.892 -4.351 -2.891 1.00 0.78 H new ATOM 0 H2 MET A 1 12.311 -3.827 -3.223 1.00 0.78 H new ATOM 0 H3 MET A 1 13.272 -2.975 -2.113 1.00 0.78 H new ATOM 0 HA MET A 1 13.242 -5.571 -1.213 1.00 0.70 H new ATOM 0 HB2 MET A 1 11.874 -4.483 0.624 1.00 0.75 H new ATOM 0 HB3 MET A 1 13.271 -3.524 0.177 1.00 0.75 H new ATOM 0 HG2 MET A 1 10.516 -2.908 -0.866 1.00 0.79 H new ATOM 0 HG3 MET A 1 11.067 -2.344 0.699 1.00 0.79 H new ATOM 0 HE1 MET A 1 11.531 1.042 -0.279 1.00 0.84 H new ATOM 0 HE2 MET A 1 10.271 -0.158 0.095 1.00 0.84 H new ATOM 0 HE3 MET A 1 11.766 -0.108 1.059 1.00 0.84 H new ATOM 20 N GLN A 2 10.683 -6.253 -0.883 1.00 0.59 N ATOM 21 CA GLN A 2 9.468 -6.974 -1.110 1.00 0.56 C ATOM 22 C GLN A 2 8.607 -6.461 -0.008 1.00 0.50 C ATOM 23 O GLN A 2 8.928 -6.754 1.143 1.00 0.60 O ATOM 24 CB GLN A 2 9.665 -8.498 -1.165 1.00 0.71 C ATOM 25 CG GLN A 2 8.459 -9.411 -1.398 1.00 1.15 C ATOM 26 CD GLN A 2 8.785 -10.883 -1.196 1.00 1.30 C ATOM 27 OE1 GLN A 2 9.057 -11.528 -2.207 1.00 1.87 O ATOM 28 NE2 GLN A 2 8.668 -11.378 0.066 1.00 1.72 N ATOM 0 H GLN A 2 11.142 -6.508 -0.009 1.00 0.59 H new ATOM 0 HA GLN A 2 9.015 -6.812 -2.088 1.00 0.56 H new ATOM 0 HB2 GLN A 2 10.387 -8.705 -1.955 1.00 0.71 H new ATOM 0 HB3 GLN A 2 10.126 -8.801 -0.225 1.00 0.71 H new ATOM 0 HG2 GLN A 2 7.656 -9.125 -0.718 1.00 1.15 H new ATOM 0 HG3 GLN A 2 8.087 -9.262 -2.412 1.00 1.15 H new ATOM 0 HE21 GLN A 2 8.438 -10.754 0.839 1.00 1.72 H new ATOM 0 HE22 GLN A 2 8.811 -12.373 0.239 1.00 1.72 H new ATOM 37 N ILE A 3 7.515 -5.708 -0.232 1.00 0.44 N ATOM 38 CA ILE A 3 6.620 -5.415 0.844 1.00 0.42 C ATOM 39 C ILE A 3 5.512 -6.409 0.930 1.00 0.40 C ATOM 40 O ILE A 3 5.245 -7.119 -0.038 1.00 0.50 O ATOM 41 CB ILE A 3 6.194 -3.979 0.772 1.00 0.48 C ATOM 42 CG1 ILE A 3 5.385 -3.703 -0.507 1.00 0.55 C ATOM 43 CG2 ILE A 3 7.491 -3.168 0.935 1.00 0.61 C ATOM 44 CD1 ILE A 3 5.183 -2.226 -0.845 1.00 0.72 C ATOM 0 H ILE A 3 7.256 -5.310 -1.135 1.00 0.44 H new ATOM 0 HA ILE A 3 7.135 -5.525 1.798 1.00 0.42 H new ATOM 0 HB ILE A 3 5.497 -3.688 1.558 1.00 0.48 H new ATOM 0 HG12 ILE A 3 5.887 -4.186 -1.346 1.00 0.55 H new ATOM 0 HG13 ILE A 3 4.407 -4.173 -0.407 1.00 0.55 H new ATOM 0 HG21 ILE A 3 7.262 -2.103 0.893 1.00 0.61 H new ATOM 0 HG22 ILE A 3 7.949 -3.403 1.896 1.00 0.61 H new ATOM 0 HG23 ILE A 3 8.182 -3.422 0.132 1.00 0.61 H new ATOM 0 HD11 ILE A 3 4.602 -2.139 -1.763 1.00 0.72 H new ATOM 0 HD12 ILE A 3 4.650 -1.736 -0.030 1.00 0.72 H new ATOM 0 HD13 ILE A 3 6.153 -1.748 -0.983 1.00 0.72 H new ATOM 56 N PHE A 4 4.764 -6.414 2.048 1.00 0.37 N ATOM 57 CA PHE A 4 3.616 -7.233 2.285 1.00 0.38 C ATOM 58 C PHE A 4 2.423 -6.396 2.596 1.00 0.39 C ATOM 59 O PHE A 4 2.311 -5.795 3.664 1.00 0.60 O ATOM 60 CB PHE A 4 3.887 -8.155 3.485 1.00 0.45 C ATOM 61 CG PHE A 4 5.090 -9.020 3.325 1.00 0.51 C ATOM 62 CD1 PHE A 4 5.057 -10.015 2.376 1.00 1.30 C ATOM 63 CD2 PHE A 4 6.234 -8.877 4.073 1.00 1.16 C ATOM 64 CE1 PHE A 4 6.181 -10.799 2.255 1.00 1.40 C ATOM 65 CE2 PHE A 4 7.371 -9.613 3.837 1.00 1.23 C ATOM 66 CZ PHE A 4 7.338 -10.696 2.991 1.00 0.85 C ATOM 0 H PHE A 4 4.976 -5.805 2.838 1.00 0.37 H new ATOM 0 HA PHE A 4 3.421 -7.817 1.386 1.00 0.38 H new ATOM 0 HB2 PHE A 4 4.008 -7.544 4.380 1.00 0.45 H new ATOM 0 HB3 PHE A 4 3.015 -8.789 3.647 1.00 0.45 H new ATOM 0 HD1 PHE A 4 4.188 -10.174 1.754 1.00 1.30 H new ATOM 0 HD2 PHE A 4 6.240 -8.158 4.879 1.00 1.16 H new ATOM 0 HE1 PHE A 4 6.152 -11.575 1.505 1.00 1.40 H new ATOM 0 HE2 PHE A 4 8.297 -9.338 4.320 1.00 1.23 H new ATOM 0 HZ PHE A 4 8.150 -11.404 2.911 1.00 0.85 H new ATOM 76 N VAL A 5 1.593 -6.061 1.592 1.00 0.35 N ATOM 77 CA VAL A 5 0.375 -5.356 1.839 1.00 0.35 C ATOM 78 C VAL A 5 -0.711 -6.217 2.385 1.00 0.35 C ATOM 79 O VAL A 5 -1.137 -7.235 1.840 1.00 0.46 O ATOM 80 CB VAL A 5 0.064 -4.591 0.587 1.00 0.44 C ATOM 81 CG1 VAL A 5 -1.271 -3.827 0.585 1.00 0.58 C ATOM 82 CG2 VAL A 5 1.232 -3.703 0.127 1.00 0.56 C ATOM 0 H VAL A 5 1.766 -6.278 0.610 1.00 0.35 H new ATOM 0 HA VAL A 5 0.482 -4.641 2.655 1.00 0.35 H new ATOM 0 HB VAL A 5 -0.074 -5.376 -0.157 1.00 0.44 H new ATOM 0 HG11 VAL A 5 -1.393 -3.311 -0.367 1.00 0.58 H new ATOM 0 HG12 VAL A 5 -2.093 -4.530 0.725 1.00 0.58 H new ATOM 0 HG13 VAL A 5 -1.275 -3.099 1.396 1.00 0.58 H new ATOM 0 HG21 VAL A 5 0.950 -3.173 -0.783 1.00 0.56 H new ATOM 0 HG22 VAL A 5 1.470 -2.981 0.908 1.00 0.56 H new ATOM 0 HG23 VAL A 5 2.106 -4.324 -0.071 1.00 0.56 H new ATOM 92 N LYS A 6 -1.090 -5.897 3.635 1.00 0.36 N ATOM 93 CA LYS A 6 -2.104 -6.708 4.236 1.00 0.39 C ATOM 94 C LYS A 6 -3.481 -6.159 4.082 1.00 0.46 C ATOM 95 O LYS A 6 -3.727 -4.997 4.399 1.00 0.53 O ATOM 96 CB LYS A 6 -1.753 -6.936 5.716 1.00 0.54 C ATOM 97 CG LYS A 6 -0.803 -8.134 5.742 1.00 1.22 C ATOM 98 CD LYS A 6 -0.805 -8.781 7.129 1.00 1.37 C ATOM 99 CE LYS A 6 0.223 -9.877 7.413 1.00 1.93 C ATOM 100 NZ LYS A 6 0.082 -11.129 6.636 1.00 2.09 N ATOM 0 H LYS A 6 -0.725 -5.130 4.199 1.00 0.36 H new ATOM 0 HA LYS A 6 -2.120 -7.660 3.705 1.00 0.39 H new ATOM 0 HB2 LYS A 6 -1.280 -6.053 6.146 1.00 0.54 H new ATOM 0 HB3 LYS A 6 -2.649 -7.135 6.304 1.00 0.54 H new ATOM 0 HG2 LYS A 6 -1.106 -8.864 4.992 1.00 1.22 H new ATOM 0 HG3 LYS A 6 0.206 -7.813 5.484 1.00 1.22 H new ATOM 0 HD2 LYS A 6 -0.662 -7.991 7.866 1.00 1.37 H new ATOM 0 HD3 LYS A 6 -1.796 -9.201 7.300 1.00 1.37 H new ATOM 0 HE2 LYS A 6 1.217 -9.470 7.227 1.00 1.93 H new ATOM 0 HE3 LYS A 6 0.173 -10.125 8.473 1.00 1.93 H new ATOM 0 HZ1 LYS A 6 0.928 -11.719 6.771 1.00 2.09 H new ATOM 0 HZ2 LYS A 6 -0.758 -11.648 6.963 1.00 2.09 H new ATOM 0 HZ3 LYS A 6 -0.024 -10.901 5.627 1.00 2.09 H new ATOM 114 N THR A 7 -4.412 -7.000 3.598 1.00 0.58 N ATOM 115 CA THR A 7 -5.782 -6.611 3.461 1.00 0.78 C ATOM 116 C THR A 7 -6.504 -6.835 4.745 1.00 0.94 C ATOM 117 O THR A 7 -5.991 -7.305 5.759 1.00 0.99 O ATOM 118 CB THR A 7 -6.420 -7.309 2.298 1.00 0.90 C ATOM 119 OG1 THR A 7 -6.828 -8.649 2.541 1.00 0.90 O ATOM 120 CG2 THR A 7 -5.505 -7.283 1.062 1.00 0.92 C ATOM 0 H THR A 7 -4.215 -7.955 3.300 1.00 0.58 H new ATOM 0 HA THR A 7 -5.839 -5.545 3.243 1.00 0.78 H new ATOM 0 HB THR A 7 -7.331 -6.738 2.120 1.00 0.90 H new ATOM 0 HG1 THR A 7 -7.749 -8.772 2.229 1.00 0.90 H new ATOM 0 HG21 THR A 7 -5.995 -7.797 0.235 1.00 0.92 H new ATOM 0 HG22 THR A 7 -5.305 -6.250 0.779 1.00 0.92 H new ATOM 0 HG23 THR A 7 -4.565 -7.784 1.294 1.00 0.92 H new ATOM 128 N LEU A 8 -7.769 -6.388 4.821 1.00 1.17 N ATOM 129 CA LEU A 8 -8.689 -6.618 5.892 1.00 1.39 C ATOM 130 C LEU A 8 -9.267 -7.982 5.731 1.00 1.44 C ATOM 131 O LEU A 8 -9.476 -8.635 6.753 1.00 1.60 O ATOM 132 CB LEU A 8 -9.832 -5.603 6.062 1.00 1.66 C ATOM 133 CG LEU A 8 -9.389 -4.143 6.261 1.00 2.11 C ATOM 134 CD1 LEU A 8 -10.517 -3.183 6.672 1.00 2.53 C ATOM 135 CD2 LEU A 8 -8.171 -3.844 7.151 1.00 2.43 C ATOM 0 H LEU A 8 -8.179 -5.823 4.077 1.00 1.17 H new ATOM 0 HA LEU A 8 -8.096 -6.503 6.799 1.00 1.39 H new ATOM 0 HB2 LEU A 8 -10.475 -5.654 5.183 1.00 1.66 H new ATOM 0 HB3 LEU A 8 -10.437 -5.902 6.918 1.00 1.66 H new ATOM 0 HG LEU A 8 -9.061 -3.958 5.238 1.00 2.11 H new ATOM 0 HD11 LEU A 8 -10.114 -2.177 6.790 1.00 2.53 H new ATOM 0 HD12 LEU A 8 -11.288 -3.177 5.902 1.00 2.53 H new ATOM 0 HD13 LEU A 8 -10.950 -3.513 7.616 1.00 2.53 H new ATOM 0 HD21 LEU A 8 -7.998 -2.768 7.182 1.00 2.43 H new ATOM 0 HD22 LEU A 8 -8.359 -4.210 8.160 1.00 2.43 H new ATOM 0 HD23 LEU A 8 -7.291 -4.341 6.743 1.00 2.43 H new ATOM 147 N THR A 9 -9.511 -8.555 4.538 1.00 1.41 N ATOM 148 CA THR A 9 -10.063 -9.863 4.368 1.00 1.51 C ATOM 149 C THR A 9 -9.117 -10.959 4.719 1.00 1.37 C ATOM 150 O THR A 9 -9.508 -12.013 5.219 1.00 1.62 O ATOM 151 CB THR A 9 -10.611 -10.143 3.000 1.00 1.65 C ATOM 152 OG1 THR A 9 -9.612 -10.210 1.993 1.00 1.89 O ATOM 153 CG2 THR A 9 -11.531 -8.984 2.579 1.00 2.08 C ATOM 0 H THR A 9 -9.315 -8.086 3.654 1.00 1.41 H new ATOM 0 HA THR A 9 -10.893 -9.853 5.074 1.00 1.51 H new ATOM 0 HB THR A 9 -11.118 -11.105 3.076 1.00 1.65 H new ATOM 0 HG1 THR A 9 -10.032 -10.396 1.127 1.00 1.89 H new ATOM 0 HG21 THR A 9 -11.933 -9.181 1.585 1.00 2.08 H new ATOM 0 HG22 THR A 9 -12.351 -8.894 3.291 1.00 2.08 H new ATOM 0 HG23 THR A 9 -10.961 -8.055 2.562 1.00 2.08 H new ATOM 161 N GLY A 10 -7.810 -10.784 4.453 1.00 1.18 N ATOM 162 CA GLY A 10 -6.816 -11.748 4.809 1.00 1.22 C ATOM 163 C GLY A 10 -5.707 -12.034 3.855 1.00 0.99 C ATOM 164 O GLY A 10 -4.937 -12.947 4.148 1.00 1.31 O ATOM 0 H GLY A 10 -7.437 -9.959 3.983 1.00 1.18 H new ATOM 0 HA2 GLY A 10 -6.366 -11.424 5.748 1.00 1.22 H new ATOM 0 HA3 GLY A 10 -7.328 -12.689 5.009 1.00 1.22 H new ATOM 168 N LYS A 11 -5.571 -11.261 2.763 1.00 0.73 N ATOM 169 CA LYS A 11 -4.630 -11.590 1.737 1.00 0.60 C ATOM 170 C LYS A 11 -3.403 -10.787 2.001 1.00 0.51 C ATOM 171 O LYS A 11 -3.427 -9.666 2.505 1.00 0.63 O ATOM 172 CB LYS A 11 -5.194 -11.220 0.356 1.00 0.75 C ATOM 173 CG LYS A 11 -4.323 -11.007 -0.884 1.00 0.87 C ATOM 174 CD LYS A 11 -3.510 -12.185 -1.424 1.00 1.04 C ATOM 175 CE LYS A 11 -2.673 -11.871 -2.666 1.00 1.30 C ATOM 176 NZ LYS A 11 -1.810 -13.030 -2.984 1.00 1.40 N ATOM 0 H LYS A 11 -6.110 -10.412 2.590 1.00 0.73 H new ATOM 0 HA LYS A 11 -4.417 -12.659 1.741 1.00 0.60 H new ATOM 0 HB2 LYS A 11 -5.909 -12.001 0.098 1.00 0.75 H new ATOM 0 HB3 LYS A 11 -5.762 -10.300 0.493 1.00 0.75 H new ATOM 0 HG2 LYS A 11 -4.972 -10.658 -1.687 1.00 0.87 H new ATOM 0 HG3 LYS A 11 -3.626 -10.199 -0.663 1.00 0.87 H new ATOM 0 HD2 LYS A 11 -2.846 -12.542 -0.636 1.00 1.04 H new ATOM 0 HD3 LYS A 11 -4.192 -13.002 -1.660 1.00 1.04 H new ATOM 0 HE2 LYS A 11 -3.325 -11.647 -3.510 1.00 1.30 H new ATOM 0 HE3 LYS A 11 -2.062 -10.986 -2.492 1.00 1.30 H new ATOM 0 HZ1 LYS A 11 -1.241 -12.818 -3.828 1.00 1.40 H new ATOM 0 HZ2 LYS A 11 -1.179 -13.224 -2.180 1.00 1.40 H new ATOM 0 HZ3 LYS A 11 -2.403 -13.864 -3.167 1.00 1.40 H new ATOM 190 N THR A 12 -2.216 -11.358 1.723 1.00 0.49 N ATOM 191 CA THR A 12 -0.968 -10.667 1.813 1.00 0.48 C ATOM 192 C THR A 12 -0.529 -10.565 0.393 1.00 0.52 C ATOM 193 O THR A 12 -0.181 -11.504 -0.323 1.00 0.72 O ATOM 194 CB THR A 12 0.112 -11.435 2.513 1.00 0.64 C ATOM 195 OG1 THR A 12 -0.263 -11.651 3.866 1.00 0.77 O ATOM 196 CG2 THR A 12 1.374 -10.556 2.574 1.00 0.78 C ATOM 0 H THR A 12 -2.123 -12.330 1.427 1.00 0.49 H new ATOM 0 HA THR A 12 -1.111 -9.737 2.364 1.00 0.48 H new ATOM 0 HB THR A 12 0.278 -12.373 1.984 1.00 0.64 H new ATOM 0 HG1 THR A 12 0.359 -12.285 4.280 1.00 0.77 H new ATOM 0 HG21 THR A 12 2.172 -11.099 3.081 1.00 0.78 H new ATOM 0 HG22 THR A 12 1.692 -10.305 1.562 1.00 0.78 H new ATOM 0 HG23 THR A 12 1.153 -9.640 3.122 1.00 0.78 H new ATOM 204 N ILE A 13 -0.611 -9.319 -0.106 1.00 0.48 N ATOM 205 CA ILE A 13 -0.232 -8.985 -1.444 1.00 0.55 C ATOM 206 C ILE A 13 1.247 -8.797 -1.478 1.00 0.51 C ATOM 207 O ILE A 13 1.771 -7.771 -1.048 1.00 0.56 O ATOM 208 CB ILE A 13 -0.934 -7.730 -1.868 1.00 0.69 C ATOM 209 CG1 ILE A 13 -2.409 -7.675 -1.434 1.00 1.15 C ATOM 210 CG2 ILE A 13 -0.813 -7.681 -3.400 1.00 1.13 C ATOM 211 CD1 ILE A 13 -3.218 -6.460 -1.887 1.00 1.55 C ATOM 0 H ILE A 13 -0.950 -8.523 0.434 1.00 0.48 H new ATOM 0 HA ILE A 13 -0.514 -9.782 -2.132 1.00 0.55 H new ATOM 0 HB ILE A 13 -0.473 -6.868 -1.385 1.00 0.69 H new ATOM 0 HG12 ILE A 13 -2.906 -8.571 -1.806 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -2.444 -7.719 -0.345 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -1.307 -6.785 -3.776 1.00 1.13 H new ATOM 0 HG22 ILE A 13 0.240 -7.660 -3.681 1.00 1.13 H new ATOM 0 HG23 ILE A 13 -1.286 -8.564 -3.831 1.00 1.13 H new ATOM 0 HD11 ILE A 13 -4.239 -6.544 -1.515 1.00 1.55 H new ATOM 0 HD12 ILE A 13 -2.762 -5.552 -1.493 1.00 1.55 H new ATOM 0 HD13 ILE A 13 -3.231 -6.417 -2.976 1.00 1.55 H new ATOM 223 N THR A 14 1.944 -9.728 -2.152 1.00 0.55 N ATOM 224 CA THR A 14 3.368 -9.754 -2.288 1.00 0.54 C ATOM 225 C THR A 14 3.852 -8.915 -3.420 1.00 0.55 C ATOM 226 O THR A 14 3.683 -9.282 -4.583 1.00 0.72 O ATOM 227 CB THR A 14 4.003 -11.106 -2.429 1.00 0.67 C ATOM 228 OG1 THR A 14 3.527 -12.027 -1.460 1.00 1.08 O ATOM 229 CG2 THR A 14 5.496 -10.894 -2.126 1.00 1.03 C ATOM 0 H THR A 14 1.489 -10.506 -2.629 1.00 0.55 H new ATOM 0 HA THR A 14 3.681 -9.349 -1.326 1.00 0.54 H new ATOM 0 HB THR A 14 3.787 -11.503 -3.421 1.00 0.67 H new ATOM 0 HG1 THR A 14 3.965 -12.894 -1.590 1.00 1.08 H new ATOM 0 HG21 THR A 14 6.023 -11.844 -2.211 1.00 1.03 H new ATOM 0 HG22 THR A 14 5.914 -10.182 -2.838 1.00 1.03 H new ATOM 0 HG23 THR A 14 5.610 -10.505 -1.114 1.00 1.03 H new ATOM 237 N LEU A 15 4.454 -7.769 -3.056 1.00 0.50 N ATOM 238 CA LEU A 15 4.834 -6.792 -4.029 1.00 0.55 C ATOM 239 C LEU A 15 6.296 -6.546 -3.883 1.00 0.52 C ATOM 240 O LEU A 15 6.809 -6.373 -2.778 1.00 0.58 O ATOM 241 CB LEU A 15 4.110 -5.446 -3.855 1.00 0.69 C ATOM 242 CG LEU A 15 2.583 -5.540 -4.013 1.00 0.76 C ATOM 243 CD1 LEU A 15 1.994 -4.173 -3.624 1.00 1.38 C ATOM 244 CD2 LEU A 15 2.086 -5.800 -5.446 1.00 1.55 C ATOM 0 H LEU A 15 4.677 -7.519 -2.093 1.00 0.50 H new ATOM 0 HA LEU A 15 4.564 -7.185 -5.009 1.00 0.55 H new ATOM 0 HB2 LEU A 15 4.340 -5.045 -2.868 1.00 0.69 H new ATOM 0 HB3 LEU A 15 4.499 -4.737 -4.586 1.00 0.69 H new ATOM 0 HG LEU A 15 2.274 -6.381 -3.393 1.00 0.76 H new ATOM 0 HD11 LEU A 15 0.909 -4.202 -3.724 1.00 1.38 H new ATOM 0 HD12 LEU A 15 2.257 -3.944 -2.591 1.00 1.38 H new ATOM 0 HD13 LEU A 15 2.398 -3.403 -4.281 1.00 1.38 H new ATOM 0 HD21 LEU A 15 0.997 -5.849 -5.450 1.00 1.55 H new ATOM 0 HD22 LEU A 15 2.415 -4.991 -6.098 1.00 1.55 H new ATOM 0 HD23 LEU A 15 2.493 -6.745 -5.807 1.00 1.55 H new ATOM 256 N GLU A 16 7.065 -6.527 -4.986 1.00 0.59 N ATOM 257 CA GLU A 16 8.375 -5.954 -4.977 1.00 0.63 C ATOM 258 C GLU A 16 8.331 -4.533 -5.426 1.00 0.65 C ATOM 259 O GLU A 16 7.643 -4.197 -6.388 1.00 0.81 O ATOM 260 CB GLU A 16 9.266 -6.951 -5.737 1.00 0.76 C ATOM 261 CG GLU A 16 10.711 -6.460 -5.645 1.00 1.41 C ATOM 262 CD GLU A 16 11.668 -7.407 -6.355 1.00 1.52 C ATOM 263 OE1 GLU A 16 11.371 -7.968 -7.445 1.00 1.92 O ATOM 264 OE2 GLU A 16 12.764 -7.687 -5.800 1.00 1.95 O ATOM 0 H GLU A 16 6.778 -6.910 -5.887 1.00 0.59 H new ATOM 0 HA GLU A 16 8.825 -5.836 -3.991 1.00 0.63 H new ATOM 0 HB2 GLU A 16 9.174 -7.948 -5.307 1.00 0.76 H new ATOM 0 HB3 GLU A 16 8.954 -7.023 -6.779 1.00 0.76 H new ATOM 0 HG2 GLU A 16 10.787 -5.466 -6.086 1.00 1.41 H new ATOM 0 HG3 GLU A 16 10.999 -6.367 -4.598 1.00 1.41 H new ATOM 271 N VAL A 17 9.015 -3.640 -4.687 1.00 0.61 N ATOM 272 CA VAL A 17 9.183 -2.243 -4.939 1.00 0.63 C ATOM 273 C VAL A 17 10.620 -1.888 -4.765 1.00 0.65 C ATOM 274 O VAL A 17 11.503 -2.635 -4.347 1.00 0.76 O ATOM 275 CB VAL A 17 8.198 -1.451 -4.132 1.00 0.70 C ATOM 276 CG1 VAL A 17 6.750 -1.935 -4.320 1.00 0.96 C ATOM 277 CG2 VAL A 17 8.557 -1.591 -2.643 1.00 0.92 C ATOM 0 H VAL A 17 9.494 -3.926 -3.833 1.00 0.61 H new ATOM 0 HA VAL A 17 8.947 -1.981 -5.971 1.00 0.63 H new ATOM 0 HB VAL A 17 8.255 -0.417 -4.473 1.00 0.70 H new ATOM 0 HG11 VAL A 17 6.081 -1.326 -3.712 1.00 0.96 H new ATOM 0 HG12 VAL A 17 6.470 -1.845 -5.370 1.00 0.96 H new ATOM 0 HG13 VAL A 17 6.672 -2.978 -4.012 1.00 0.96 H new ATOM 0 HG21 VAL A 17 7.849 -1.020 -2.043 1.00 0.92 H new ATOM 0 HG22 VAL A 17 8.512 -2.641 -2.355 1.00 0.92 H new ATOM 0 HG23 VAL A 17 9.565 -1.211 -2.474 1.00 0.92 H new ATOM 287 N GLU A 18 10.949 -0.629 -5.103 1.00 0.68 N ATOM 288 CA GLU A 18 12.184 -0.074 -4.643 1.00 0.74 C ATOM 289 C GLU A 18 11.765 1.157 -3.914 1.00 0.71 C ATOM 290 O GLU A 18 10.586 1.504 -3.934 1.00 0.74 O ATOM 291 CB GLU A 18 12.935 0.321 -5.925 1.00 0.88 C ATOM 292 CG GLU A 18 13.381 -0.905 -6.725 1.00 1.16 C ATOM 293 CD GLU A 18 14.327 -0.403 -7.807 1.00 1.71 C ATOM 294 OE1 GLU A 18 15.481 -0.020 -7.478 1.00 2.35 O ATOM 295 OE2 GLU A 18 13.961 -0.382 -9.012 1.00 2.33 O ATOM 0 H GLU A 18 10.379 -0.010 -5.678 1.00 0.68 H new ATOM 0 HA GLU A 18 12.798 -0.724 -4.019 1.00 0.74 H new ATOM 0 HB2 GLU A 18 12.291 0.945 -6.545 1.00 0.88 H new ATOM 0 HB3 GLU A 18 13.807 0.922 -5.665 1.00 0.88 H new ATOM 0 HG2 GLU A 18 13.880 -1.627 -6.079 1.00 1.16 H new ATOM 0 HG3 GLU A 18 12.523 -1.412 -7.166 1.00 1.16 H new ATOM 302 N PRO A 19 12.623 1.770 -3.153 1.00 0.74 N ATOM 303 CA PRO A 19 12.230 2.961 -2.460 1.00 0.74 C ATOM 304 C PRO A 19 11.978 4.176 -3.284 1.00 0.70 C ATOM 305 O PRO A 19 11.481 5.151 -2.722 1.00 0.74 O ATOM 306 CB PRO A 19 13.442 3.261 -1.578 1.00 0.86 C ATOM 307 CG PRO A 19 14.497 2.158 -1.754 1.00 0.95 C ATOM 308 CD PRO A 19 14.010 1.368 -2.979 1.00 0.82 C ATOM 0 HA PRO A 19 11.275 2.769 -1.971 1.00 0.74 H new ATOM 0 HB2 PRO A 19 13.866 4.229 -1.844 1.00 0.86 H new ATOM 0 HB3 PRO A 19 13.137 3.323 -0.533 1.00 0.86 H new ATOM 0 HG2 PRO A 19 15.489 2.578 -1.919 1.00 0.95 H new ATOM 0 HG3 PRO A 19 14.562 1.523 -0.870 1.00 0.95 H new ATOM 0 HD2 PRO A 19 14.604 1.603 -3.863 1.00 0.82 H new ATOM 0 HD3 PRO A 19 14.093 0.294 -2.815 1.00 0.82 H new ATOM 316 N SER A 20 12.352 4.167 -4.576 1.00 0.70 N ATOM 317 CA SER A 20 12.203 5.189 -5.564 1.00 0.74 C ATOM 318 C SER A 20 10.821 5.230 -6.124 1.00 0.71 C ATOM 319 O SER A 20 10.416 6.203 -6.757 1.00 0.80 O ATOM 320 CB SER A 20 13.251 5.022 -6.677 1.00 0.89 C ATOM 321 OG SER A 20 13.394 3.632 -6.927 1.00 1.45 O ATOM 0 H SER A 20 12.812 3.346 -4.970 1.00 0.70 H new ATOM 0 HA SER A 20 12.372 6.147 -5.073 1.00 0.74 H new ATOM 0 HB2 SER A 20 12.936 5.543 -7.581 1.00 0.89 H new ATOM 0 HB3 SER A 20 14.204 5.457 -6.374 1.00 0.89 H new ATOM 0 HG SER A 20 14.139 3.279 -6.397 1.00 1.45 H new ATOM 327 N ASP A 21 9.989 4.210 -5.847 1.00 0.70 N ATOM 328 CA ASP A 21 8.616 4.181 -6.246 1.00 0.73 C ATOM 329 C ASP A 21 7.751 5.079 -5.430 1.00 0.64 C ATOM 330 O ASP A 21 7.982 5.261 -4.236 1.00 0.66 O ATOM 331 CB ASP A 21 8.064 2.745 -6.210 1.00 0.87 C ATOM 332 CG ASP A 21 8.633 1.890 -7.332 1.00 1.05 C ATOM 333 OD1 ASP A 21 8.667 2.220 -8.548 1.00 1.69 O ATOM 334 OD2 ASP A 21 9.088 0.745 -7.069 1.00 1.50 O ATOM 0 H ASP A 21 10.280 3.380 -5.330 1.00 0.70 H new ATOM 0 HA ASP A 21 8.591 4.555 -7.270 1.00 0.73 H new ATOM 0 HB2 ASP A 21 8.302 2.289 -5.249 1.00 0.87 H new ATOM 0 HB3 ASP A 21 6.977 2.772 -6.289 1.00 0.87 H new ATOM 339 N THR A 22 6.768 5.768 -6.034 1.00 0.63 N ATOM 340 CA THR A 22 5.804 6.580 -5.357 1.00 0.58 C ATOM 341 C THR A 22 4.697 5.694 -4.900 1.00 0.53 C ATOM 342 O THR A 22 4.478 4.631 -5.480 1.00 0.58 O ATOM 343 CB THR A 22 5.291 7.812 -6.042 1.00 0.63 C ATOM 344 OG1 THR A 22 4.555 7.452 -7.201 1.00 0.70 O ATOM 345 CG2 THR A 22 6.505 8.677 -6.419 1.00 0.75 C ATOM 0 H THR A 22 6.638 5.759 -7.046 1.00 0.63 H new ATOM 0 HA THR A 22 6.350 7.033 -4.530 1.00 0.58 H new ATOM 0 HB THR A 22 4.624 8.369 -5.384 1.00 0.63 H new ATOM 0 HG1 THR A 22 4.976 6.677 -7.628 1.00 0.70 H new ATOM 0 HG21 THR A 22 6.165 9.583 -6.920 1.00 0.75 H new ATOM 0 HG22 THR A 22 7.054 8.946 -5.517 1.00 0.75 H new ATOM 0 HG23 THR A 22 7.158 8.116 -7.088 1.00 0.75 H new ATOM 353 N ILE A 23 3.823 6.130 -3.976 1.00 0.51 N ATOM 354 CA ILE A 23 2.705 5.397 -3.466 1.00 0.48 C ATOM 355 C ILE A 23 1.612 5.216 -4.461 1.00 0.48 C ATOM 356 O ILE A 23 0.876 4.233 -4.398 1.00 0.51 O ATOM 357 CB ILE A 23 2.283 5.889 -2.113 1.00 0.52 C ATOM 358 CG1 ILE A 23 3.209 5.296 -1.037 1.00 0.60 C ATOM 359 CG2 ILE A 23 0.905 5.359 -1.679 1.00 0.61 C ATOM 360 CD1 ILE A 23 4.590 5.948 -1.047 1.00 0.73 C ATOM 0 H ILE A 23 3.903 7.057 -3.557 1.00 0.51 H new ATOM 0 HA ILE A 23 3.038 4.374 -3.291 1.00 0.48 H new ATOM 0 HB ILE A 23 2.296 6.976 -2.195 1.00 0.52 H new ATOM 0 HG12 ILE A 23 2.754 5.426 -0.055 1.00 0.60 H new ATOM 0 HG13 ILE A 23 3.313 4.223 -1.200 1.00 0.60 H new ATOM 0 HG21 ILE A 23 0.658 5.752 -0.692 1.00 0.61 H new ATOM 0 HG22 ILE A 23 0.149 5.680 -2.396 1.00 0.61 H new ATOM 0 HG23 ILE A 23 0.930 4.270 -1.640 1.00 0.61 H new ATOM 0 HD11 ILE A 23 5.210 5.499 -0.271 1.00 0.73 H new ATOM 0 HD12 ILE A 23 5.058 5.795 -2.020 1.00 0.73 H new ATOM 0 HD13 ILE A 23 4.489 7.017 -0.857 1.00 0.73 H new ATOM 372 N GLU A 24 1.426 6.110 -5.450 1.00 0.50 N ATOM 373 CA GLU A 24 0.635 5.878 -6.618 1.00 0.53 C ATOM 374 C GLU A 24 0.991 4.646 -7.376 1.00 0.50 C ATOM 375 O GLU A 24 0.163 3.768 -7.616 1.00 0.55 O ATOM 376 CB GLU A 24 0.804 7.128 -7.498 1.00 0.64 C ATOM 377 CG GLU A 24 -0.023 7.081 -8.784 1.00 0.95 C ATOM 378 CD GLU A 24 -0.050 8.364 -9.602 1.00 1.05 C ATOM 379 OE1 GLU A 24 1.037 8.945 -9.862 1.00 1.62 O ATOM 380 OE2 GLU A 24 -1.176 8.778 -9.990 1.00 1.56 O ATOM 0 H GLU A 24 1.848 7.039 -5.433 1.00 0.50 H new ATOM 0 HA GLU A 24 -0.398 5.708 -6.316 1.00 0.53 H new ATOM 0 HB2 GLU A 24 0.519 8.009 -6.923 1.00 0.64 H new ATOM 0 HB3 GLU A 24 1.857 7.242 -7.756 1.00 0.64 H new ATOM 0 HG2 GLU A 24 0.364 6.279 -9.413 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -1.048 6.816 -8.525 1.00 0.95 H new ATOM 387 N ASN A 25 2.281 4.376 -7.649 1.00 0.51 N ATOM 388 CA ASN A 25 2.794 3.175 -8.231 1.00 0.52 C ATOM 389 C ASN A 25 2.374 1.936 -7.517 1.00 0.47 C ATOM 390 O ASN A 25 2.048 0.935 -8.153 1.00 0.53 O ATOM 391 CB ASN A 25 4.314 3.022 -8.406 1.00 0.64 C ATOM 392 CG ASN A 25 4.766 4.147 -9.327 1.00 1.23 C ATOM 393 OD1 ASN A 25 5.251 5.216 -8.960 1.00 2.13 O ATOM 394 ND2 ASN A 25 4.497 3.984 -10.649 1.00 1.57 N ATOM 0 H ASN A 25 3.020 5.050 -7.447 1.00 0.51 H new ATOM 0 HA ASN A 25 2.349 3.291 -9.219 1.00 0.52 H new ATOM 0 HB2 ASN A 25 4.822 3.083 -7.444 1.00 0.64 H new ATOM 0 HB3 ASN A 25 4.558 2.050 -8.835 1.00 0.64 H new ATOM 0 HD21 ASN A 25 4.698 4.737 -11.307 1.00 1.57 H new ATOM 0 HD22 ASN A 25 4.095 3.108 -10.983 1.00 1.57 H new ATOM 401 N VAL A 26 2.355 1.940 -6.172 1.00 0.45 N ATOM 402 CA VAL A 26 1.921 0.825 -5.387 1.00 0.44 C ATOM 403 C VAL A 26 0.455 0.598 -5.517 1.00 0.40 C ATOM 404 O VAL A 26 0.015 -0.524 -5.766 1.00 0.44 O ATOM 405 CB VAL A 26 2.423 0.999 -3.985 1.00 0.50 C ATOM 406 CG1 VAL A 26 2.132 -0.293 -3.204 1.00 0.60 C ATOM 407 CG2 VAL A 26 3.945 1.215 -4.053 1.00 0.62 C ATOM 0 H VAL A 26 2.650 2.741 -5.614 1.00 0.45 H new ATOM 0 HA VAL A 26 2.354 -0.103 -5.761 1.00 0.44 H new ATOM 0 HB VAL A 26 1.941 1.845 -3.496 1.00 0.50 H new ATOM 0 HG11 VAL A 26 2.490 -0.187 -2.180 1.00 0.60 H new ATOM 0 HG12 VAL A 26 1.058 -0.479 -3.196 1.00 0.60 H new ATOM 0 HG13 VAL A 26 2.642 -1.130 -3.682 1.00 0.60 H new ATOM 0 HG21 VAL A 26 4.339 1.345 -3.045 1.00 0.62 H new ATOM 0 HG22 VAL A 26 4.415 0.348 -4.518 1.00 0.62 H new ATOM 0 HG23 VAL A 26 4.160 2.105 -4.644 1.00 0.62 H new ATOM 417 N LYS A 27 -0.390 1.645 -5.512 1.00 0.40 N ATOM 418 CA LYS A 27 -1.791 1.508 -5.765 1.00 0.41 C ATOM 419 C LYS A 27 -2.138 0.932 -7.094 1.00 0.38 C ATOM 420 O LYS A 27 -3.078 0.144 -7.194 1.00 0.42 O ATOM 421 CB LYS A 27 -2.479 2.876 -5.617 1.00 0.51 C ATOM 422 CG LYS A 27 -2.493 3.263 -4.137 1.00 0.76 C ATOM 423 CD LYS A 27 -3.427 4.421 -3.781 1.00 0.82 C ATOM 424 CE LYS A 27 -3.018 5.170 -2.512 1.00 1.22 C ATOM 425 NZ LYS A 27 -3.819 6.398 -2.314 1.00 1.11 N ATOM 0 H LYS A 27 -0.095 2.604 -5.329 1.00 0.40 H new ATOM 0 HA LYS A 27 -2.149 0.793 -5.025 1.00 0.41 H new ATOM 0 HB2 LYS A 27 -1.949 3.630 -6.199 1.00 0.51 H new ATOM 0 HB3 LYS A 27 -3.497 2.831 -6.005 1.00 0.51 H new ATOM 0 HG2 LYS A 27 -2.781 2.390 -3.551 1.00 0.76 H new ATOM 0 HG3 LYS A 27 -1.479 3.528 -3.836 1.00 0.76 H new ATOM 0 HD2 LYS A 27 -3.455 5.123 -4.614 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -4.439 4.035 -3.655 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -3.138 4.515 -1.649 1.00 1.22 H new ATOM 0 HE3 LYS A 27 -1.961 5.431 -2.569 1.00 1.22 H new ATOM 0 HZ1 LYS A 27 -3.435 6.938 -1.512 1.00 1.11 H new ATOM 0 HZ2 LYS A 27 -3.780 6.981 -3.175 1.00 1.11 H new ATOM 0 HZ3 LYS A 27 -4.807 6.140 -2.116 1.00 1.11 H new ATOM 439 N ALA A 28 -1.325 1.324 -8.090 1.00 0.39 N ATOM 440 CA ALA A 28 -1.367 0.845 -9.437 1.00 0.39 C ATOM 441 C ALA A 28 -1.024 -0.595 -9.605 1.00 0.36 C ATOM 442 O ALA A 28 -1.477 -1.311 -10.496 1.00 0.42 O ATOM 443 CB ALA A 28 -0.379 1.640 -10.307 1.00 0.51 C ATOM 0 H ALA A 28 -0.592 2.019 -7.946 1.00 0.39 H new ATOM 0 HA ALA A 28 -2.406 0.977 -9.740 1.00 0.39 H new ATOM 0 HB1 ALA A 28 -0.417 1.270 -11.331 1.00 0.51 H new ATOM 0 HB2 ALA A 28 -0.650 2.696 -10.293 1.00 0.51 H new ATOM 0 HB3 ALA A 28 0.631 1.519 -9.914 1.00 0.51 H new ATOM 449 N LYS A 29 -0.125 -1.096 -8.738 1.00 0.39 N ATOM 450 CA LYS A 29 0.345 -2.430 -8.528 1.00 0.43 C ATOM 451 C LYS A 29 -0.666 -3.299 -7.863 1.00 0.44 C ATOM 452 O LYS A 29 -0.805 -4.479 -8.181 1.00 0.54 O ATOM 453 CB LYS A 29 1.679 -2.418 -7.762 1.00 0.54 C ATOM 454 CG LYS A 29 2.645 -3.214 -8.643 1.00 0.65 C ATOM 455 CD LYS A 29 4.089 -3.134 -8.146 1.00 1.08 C ATOM 456 CE LYS A 29 5.126 -3.768 -9.076 1.00 1.24 C ATOM 457 NZ LYS A 29 6.508 -3.271 -8.897 1.00 1.44 N ATOM 0 H LYS A 29 0.339 -0.461 -8.088 1.00 0.39 H new ATOM 0 HA LYS A 29 0.518 -2.870 -9.510 1.00 0.43 H new ATOM 0 HB2 LYS A 29 2.035 -1.400 -7.605 1.00 0.54 H new ATOM 0 HB3 LYS A 29 1.574 -2.875 -6.778 1.00 0.54 H new ATOM 0 HG2 LYS A 29 2.331 -4.257 -8.671 1.00 0.65 H new ATOM 0 HG3 LYS A 29 2.594 -2.838 -9.665 1.00 0.65 H new ATOM 0 HD2 LYS A 29 4.349 -2.086 -7.996 1.00 1.08 H new ATOM 0 HD3 LYS A 29 4.150 -3.620 -7.172 1.00 1.08 H new ATOM 0 HE2 LYS A 29 5.120 -4.847 -8.921 1.00 1.24 H new ATOM 0 HE3 LYS A 29 4.823 -3.592 -10.108 1.00 1.24 H new ATOM 0 HZ1 LYS A 29 7.103 -3.609 -9.680 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 6.505 -2.231 -8.889 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 6.889 -3.623 -7.996 1.00 1.44 H new ATOM 471 N ILE A 30 -1.472 -2.808 -6.906 1.00 0.41 N ATOM 472 CA ILE A 30 -2.591 -3.503 -6.350 1.00 0.44 C ATOM 473 C ILE A 30 -3.700 -3.518 -7.346 1.00 0.45 C ATOM 474 O ILE A 30 -4.510 -4.444 -7.324 1.00 0.56 O ATOM 475 CB ILE A 30 -2.943 -2.924 -5.011 1.00 0.45 C ATOM 476 CG1 ILE A 30 -1.800 -3.130 -4.005 1.00 0.52 C ATOM 477 CG2 ILE A 30 -4.210 -3.547 -4.398 1.00 0.56 C ATOM 478 CD1 ILE A 30 -1.851 -2.257 -2.752 1.00 1.32 C ATOM 0 H ILE A 30 -1.337 -1.882 -6.500 1.00 0.41 H new ATOM 0 HA ILE A 30 -2.354 -4.548 -6.150 1.00 0.44 H new ATOM 0 HB ILE A 30 -3.121 -1.865 -5.195 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -1.797 -4.175 -3.697 1.00 0.52 H new ATOM 0 HG13 ILE A 30 -0.855 -2.945 -4.515 1.00 0.52 H new ATOM 0 HG21 ILE A 30 -4.411 -3.086 -3.431 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -5.057 -3.378 -5.063 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -4.061 -4.619 -4.265 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -0.998 -2.486 -2.114 1.00 1.32 H new ATOM 0 HD12 ILE A 30 -1.818 -1.206 -3.039 1.00 1.32 H new ATOM 0 HD13 ILE A 30 -2.774 -2.455 -2.208 1.00 1.32 H new ATOM 490 N GLN A 31 -3.825 -2.541 -8.261 1.00 0.41 N ATOM 491 CA GLN A 31 -4.831 -2.553 -9.278 1.00 0.48 C ATOM 492 C GLN A 31 -4.525 -3.600 -10.293 1.00 0.52 C ATOM 493 O GLN A 31 -5.478 -4.164 -10.828 1.00 0.66 O ATOM 494 CB GLN A 31 -5.003 -1.177 -9.942 1.00 0.52 C ATOM 495 CG GLN A 31 -6.229 -1.209 -10.858 1.00 0.70 C ATOM 496 CD GLN A 31 -6.725 0.142 -11.356 1.00 0.97 C ATOM 497 OE1 GLN A 31 -7.885 0.528 -11.226 1.00 1.70 O ATOM 498 NE2 GLN A 31 -5.874 0.892 -12.104 1.00 1.43 N ATOM 0 H GLN A 31 -3.214 -1.725 -8.296 1.00 0.41 H new ATOM 0 HA GLN A 31 -5.780 -2.792 -8.799 1.00 0.48 H new ATOM 0 HB2 GLN A 31 -5.123 -0.405 -9.181 1.00 0.52 H new ATOM 0 HB3 GLN A 31 -4.112 -0.923 -10.516 1.00 0.52 H new ATOM 0 HG2 GLN A 31 -5.995 -1.830 -11.723 1.00 0.70 H new ATOM 0 HG3 GLN A 31 -7.044 -1.699 -10.325 1.00 0.70 H new ATOM 0 HE21 GLN A 31 -4.906 0.594 -12.228 1.00 1.43 H new ATOM 0 HE22 GLN A 31 -6.203 1.753 -12.542 1.00 1.43 H new ATOM 507 N ASP A 32 -3.254 -3.876 -10.636 1.00 0.50 N ATOM 508 CA ASP A 32 -2.781 -4.887 -11.530 1.00 0.60 C ATOM 509 C ASP A 32 -2.994 -6.224 -10.909 1.00 0.65 C ATOM 510 O ASP A 32 -3.676 -7.036 -11.532 1.00 0.81 O ATOM 511 CB ASP A 32 -1.283 -4.598 -11.734 1.00 0.67 C ATOM 512 CG ASP A 32 -0.789 -5.305 -12.988 1.00 0.91 C ATOM 513 OD1 ASP A 32 -1.567 -5.938 -13.751 1.00 1.55 O ATOM 514 OD2 ASP A 32 0.458 -5.283 -13.167 1.00 1.51 O ATOM 0 H ASP A 32 -2.482 -3.335 -10.246 1.00 0.50 H new ATOM 0 HA ASP A 32 -3.306 -4.884 -12.485 1.00 0.60 H new ATOM 0 HB2 ASP A 32 -1.119 -3.524 -11.822 1.00 0.67 H new ATOM 0 HB3 ASP A 32 -0.716 -4.937 -10.867 1.00 0.67 H new ATOM 519 N LYS A 33 -2.469 -6.540 -9.712 1.00 0.62 N ATOM 520 CA LYS A 33 -2.568 -7.733 -8.927 1.00 0.73 C ATOM 521 C LYS A 33 -3.955 -8.143 -8.573 1.00 0.69 C ATOM 522 O LYS A 33 -4.570 -9.115 -9.009 1.00 0.83 O ATOM 523 CB LYS A 33 -1.671 -7.803 -7.680 1.00 0.85 C ATOM 524 CG LYS A 33 -0.179 -7.639 -7.978 1.00 1.31 C ATOM 525 CD LYS A 33 0.479 -8.958 -8.393 1.00 1.71 C ATOM 526 CE LYS A 33 1.989 -9.029 -8.158 1.00 2.26 C ATOM 527 NZ LYS A 33 2.595 -9.891 -9.197 1.00 2.62 N ATOM 0 H LYS A 33 -1.890 -5.853 -9.228 1.00 0.62 H new ATOM 0 HA LYS A 33 -2.172 -8.460 -9.637 1.00 0.73 H new ATOM 0 HB2 LYS A 33 -1.979 -7.027 -6.979 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -1.829 -8.761 -7.184 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -0.048 -6.904 -8.773 1.00 1.31 H new ATOM 0 HG3 LYS A 33 0.325 -7.246 -7.095 1.00 1.31 H new ATOM 0 HD2 LYS A 33 0.003 -9.772 -7.846 1.00 1.71 H new ATOM 0 HD3 LYS A 33 0.283 -9.127 -9.452 1.00 1.71 H new ATOM 0 HE2 LYS A 33 2.424 -8.030 -8.196 1.00 2.26 H new ATOM 0 HE3 LYS A 33 2.198 -9.430 -7.166 1.00 2.26 H new ATOM 0 HZ1 LYS A 33 3.623 -9.946 -9.046 1.00 2.62 H new ATOM 0 HZ2 LYS A 33 2.185 -10.845 -9.139 1.00 2.62 H new ATOM 0 HZ3 LYS A 33 2.404 -9.489 -10.137 1.00 2.62 H new ATOM 541 N GLU A 34 -4.537 -7.379 -7.632 1.00 0.63 N ATOM 542 CA GLU A 34 -5.755 -7.753 -6.984 1.00 0.67 C ATOM 543 C GLU A 34 -6.991 -7.297 -7.680 1.00 0.69 C ATOM 544 O GLU A 34 -7.941 -8.056 -7.862 1.00 0.95 O ATOM 545 CB GLU A 34 -5.666 -7.467 -5.475 1.00 0.73 C ATOM 546 CG GLU A 34 -4.731 -8.380 -4.678 1.00 0.83 C ATOM 547 CD GLU A 34 -4.927 -9.870 -4.917 1.00 0.95 C ATOM 548 OE1 GLU A 34 -6.008 -10.359 -4.493 1.00 1.48 O ATOM 549 OE2 GLU A 34 -4.025 -10.556 -5.465 1.00 1.37 O ATOM 0 H GLU A 34 -4.156 -6.487 -7.316 1.00 0.63 H new ATOM 0 HA GLU A 34 -5.870 -8.833 -7.071 1.00 0.67 H new ATOM 0 HB2 GLU A 34 -5.340 -6.436 -5.338 1.00 0.73 H new ATOM 0 HB3 GLU A 34 -6.667 -7.544 -5.050 1.00 0.73 H new ATOM 0 HG2 GLU A 34 -3.701 -8.121 -4.922 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -4.868 -8.177 -3.616 1.00 0.83 H new ATOM 556 N GLY A 35 -6.984 -6.054 -8.195 1.00 0.63 N ATOM 557 CA GLY A 35 -8.007 -5.463 -9.000 1.00 0.68 C ATOM 558 C GLY A 35 -8.767 -4.429 -8.242 1.00 0.76 C ATOM 559 O GLY A 35 -9.983 -4.379 -8.417 1.00 1.12 O ATOM 0 H GLY A 35 -6.204 -5.416 -8.036 1.00 0.63 H new ATOM 0 HA2 GLY A 35 -7.560 -5.011 -9.886 1.00 0.68 H new ATOM 0 HA3 GLY A 35 -8.691 -6.237 -9.348 1.00 0.68 H new ATOM 563 N ILE A 36 -8.181 -3.645 -7.321 1.00 0.70 N ATOM 564 CA ILE A 36 -8.802 -2.656 -6.497 1.00 0.76 C ATOM 565 C ILE A 36 -8.711 -1.325 -7.162 1.00 0.71 C ATOM 566 O ILE A 36 -7.631 -1.154 -7.725 1.00 0.73 O ATOM 567 CB ILE A 36 -8.144 -2.662 -5.149 1.00 0.88 C ATOM 568 CG1 ILE A 36 -7.940 -3.997 -4.415 1.00 0.91 C ATOM 569 CG2 ILE A 36 -8.970 -1.751 -4.224 1.00 1.55 C ATOM 570 CD1 ILE A 36 -9.208 -4.765 -4.044 1.00 1.16 C ATOM 0 H ILE A 36 -7.180 -3.711 -7.138 1.00 0.70 H new ATOM 0 HA ILE A 36 -9.860 -2.879 -6.357 1.00 0.76 H new ATOM 0 HB ILE A 36 -7.128 -2.333 -5.366 1.00 0.88 H new ATOM 0 HG12 ILE A 36 -7.321 -4.640 -5.040 1.00 0.91 H new ATOM 0 HG13 ILE A 36 -7.378 -3.803 -3.502 1.00 0.91 H new ATOM 0 HG21 ILE A 36 -8.518 -1.733 -3.233 1.00 1.55 H new ATOM 0 HG22 ILE A 36 -8.990 -0.740 -4.632 1.00 1.55 H new ATOM 0 HG23 ILE A 36 -9.988 -2.133 -4.151 1.00 1.55 H new ATOM 0 HD11 ILE A 36 -8.937 -5.688 -3.532 1.00 1.16 H new ATOM 0 HD12 ILE A 36 -9.825 -4.153 -3.387 1.00 1.16 H new ATOM 0 HD13 ILE A 36 -9.767 -5.003 -4.949 1.00 1.16 H new ATOM 582 N PRO A 37 -9.653 -0.436 -7.280 1.00 0.75 N ATOM 583 CA PRO A 37 -9.433 0.845 -7.884 1.00 0.79 C ATOM 584 C PRO A 37 -8.688 1.779 -6.993 1.00 0.75 C ATOM 585 O PRO A 37 -9.102 1.823 -5.836 1.00 0.75 O ATOM 586 CB PRO A 37 -10.808 1.379 -8.279 1.00 0.95 C ATOM 587 CG PRO A 37 -11.569 0.064 -8.514 1.00 1.02 C ATOM 588 CD PRO A 37 -11.068 -0.771 -7.326 1.00 0.85 C ATOM 0 HA PRO A 37 -8.794 0.750 -8.762 1.00 0.79 H new ATOM 0 HB2 PRO A 37 -11.259 1.983 -7.492 1.00 0.95 H new ATOM 0 HB3 PRO A 37 -10.769 2.000 -9.174 1.00 0.95 H new ATOM 0 HG2 PRO A 37 -12.650 0.203 -8.496 1.00 1.02 H new ATOM 0 HG3 PRO A 37 -11.322 -0.391 -9.473 1.00 1.02 H new ATOM 0 HD2 PRO A 37 -11.578 -0.506 -6.400 1.00 0.85 H new ATOM 0 HD3 PRO A 37 -11.228 -1.838 -7.484 1.00 0.85 H new ATOM 596 N PRO A 38 -7.709 2.541 -7.382 1.00 0.81 N ATOM 597 CA PRO A 38 -6.918 3.335 -6.487 1.00 0.85 C ATOM 598 C PRO A 38 -7.634 4.376 -5.697 1.00 0.89 C ATOM 599 O PRO A 38 -7.017 4.790 -4.717 1.00 0.99 O ATOM 600 CB PRO A 38 -5.959 4.113 -7.386 1.00 1.01 C ATOM 601 CG PRO A 38 -5.693 3.020 -8.433 1.00 1.25 C ATOM 602 CD PRO A 38 -6.992 2.216 -8.605 1.00 0.98 C ATOM 0 HA PRO A 38 -6.490 2.641 -5.764 1.00 0.85 H new ATOM 0 HB2 PRO A 38 -6.412 5.008 -7.814 1.00 1.01 H new ATOM 0 HB3 PRO A 38 -5.055 4.430 -6.866 1.00 1.01 H new ATOM 0 HG2 PRO A 38 -5.389 3.464 -9.381 1.00 1.25 H new ATOM 0 HG3 PRO A 38 -4.880 2.370 -8.110 1.00 1.25 H new ATOM 0 HD2 PRO A 38 -7.544 2.518 -9.495 1.00 0.98 H new ATOM 0 HD3 PRO A 38 -6.802 1.147 -8.695 1.00 0.98 H new ATOM 610 N ASP A 39 -8.827 4.893 -6.037 1.00 0.96 N ATOM 611 CA ASP A 39 -9.684 5.782 -5.317 1.00 1.11 C ATOM 612 C ASP A 39 -10.141 5.226 -4.012 1.00 1.00 C ATOM 613 O ASP A 39 -10.435 5.873 -3.008 1.00 1.14 O ATOM 614 CB ASP A 39 -10.893 6.089 -6.217 1.00 1.39 C ATOM 615 CG ASP A 39 -10.700 7.281 -7.145 1.00 1.73 C ATOM 616 OD1 ASP A 39 -10.046 8.292 -6.775 1.00 2.23 O ATOM 617 OD2 ASP A 39 -11.234 7.256 -8.286 1.00 2.25 O ATOM 0 H ASP A 39 -9.241 4.653 -6.938 1.00 0.96 H new ATOM 0 HA ASP A 39 -9.124 6.685 -5.075 1.00 1.11 H new ATOM 0 HB2 ASP A 39 -11.116 5.208 -6.819 1.00 1.39 H new ATOM 0 HB3 ASP A 39 -11.763 6.272 -5.586 1.00 1.39 H new ATOM 622 N GLN A 40 -10.234 3.887 -3.933 1.00 0.87 N ATOM 623 CA GLN A 40 -10.675 3.037 -2.871 1.00 0.84 C ATOM 624 C GLN A 40 -9.638 2.794 -1.830 1.00 0.67 C ATOM 625 O GLN A 40 -9.943 2.605 -0.654 1.00 0.80 O ATOM 626 CB GLN A 40 -11.047 1.675 -3.481 1.00 0.95 C ATOM 627 CG GLN A 40 -12.329 1.126 -2.851 1.00 1.32 C ATOM 628 CD GLN A 40 -12.808 -0.128 -3.567 1.00 1.48 C ATOM 629 OE1 GLN A 40 -12.318 -1.253 -3.482 1.00 1.70 O ATOM 630 NE2 GLN A 40 -13.997 0.071 -4.197 1.00 2.02 N ATOM 0 H GLN A 40 -9.957 3.323 -4.737 1.00 0.87 H new ATOM 0 HA GLN A 40 -11.514 3.537 -2.387 1.00 0.84 H new ATOM 0 HB2 GLN A 40 -11.182 1.779 -4.558 1.00 0.95 H new ATOM 0 HB3 GLN A 40 -10.231 0.969 -3.329 1.00 0.95 H new ATOM 0 HG2 GLN A 40 -12.152 0.901 -1.799 1.00 1.32 H new ATOM 0 HG3 GLN A 40 -13.108 1.887 -2.887 1.00 1.32 H new ATOM 0 HE21 GLN A 40 -14.390 1.010 -4.259 1.00 2.02 H new ATOM 0 HE22 GLN A 40 -14.495 -0.719 -4.607 1.00 2.02 H new ATOM 639 N GLN A 41 -8.374 2.721 -2.282 1.00 0.56 N ATOM 640 CA GLN A 41 -7.268 2.177 -1.556 1.00 0.51 C ATOM 641 C GLN A 41 -6.524 3.125 -0.680 1.00 0.49 C ATOM 642 O GLN A 41 -5.842 4.058 -1.101 1.00 0.65 O ATOM 643 CB GLN A 41 -6.239 1.680 -2.586 1.00 0.67 C ATOM 644 CG GLN A 41 -6.588 0.521 -3.522 1.00 0.69 C ATOM 645 CD GLN A 41 -5.413 0.229 -4.444 1.00 0.56 C ATOM 646 OE1 GLN A 41 -4.283 0.087 -3.980 1.00 0.66 O ATOM 647 NE2 GLN A 41 -5.632 0.065 -5.776 1.00 0.61 N ATOM 0 H GLN A 41 -8.109 3.061 -3.206 1.00 0.56 H new ATOM 0 HA GLN A 41 -7.702 1.415 -0.909 1.00 0.51 H new ATOM 0 HB2 GLN A 41 -5.970 2.531 -3.211 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -5.343 1.393 -2.036 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -6.834 -0.367 -2.940 1.00 0.69 H new ATOM 0 HG3 GLN A 41 -7.471 0.771 -4.111 1.00 0.69 H new ATOM 0 HE21 GLN A 41 -6.571 0.184 -6.157 1.00 0.61 H new ATOM 0 HE22 GLN A 41 -4.858 -0.177 -6.394 1.00 0.61 H new ATOM 656 N ARG A 42 -6.560 2.892 0.644 1.00 0.47 N ATOM 657 CA ARG A 42 -5.816 3.592 1.646 1.00 0.55 C ATOM 658 C ARG A 42 -4.567 2.847 1.970 1.00 0.46 C ATOM 659 O ARG A 42 -4.669 1.722 2.457 1.00 0.52 O ATOM 660 CB ARG A 42 -6.666 3.610 2.928 1.00 0.73 C ATOM 661 CG ARG A 42 -7.974 4.403 2.922 1.00 1.04 C ATOM 662 CD ARG A 42 -8.614 4.514 4.308 1.00 1.28 C ATOM 663 NE ARG A 42 -9.826 5.382 4.312 1.00 1.69 N ATOM 664 CZ ARG A 42 -9.810 6.745 4.244 1.00 2.19 C ATOM 665 NH1 ARG A 42 -8.700 7.533 4.350 1.00 2.34 N ATOM 666 NH2 ARG A 42 -10.957 7.450 4.023 1.00 2.78 N ATOM 0 H ARG A 42 -7.151 2.162 1.042 1.00 0.47 H new ATOM 0 HA ARG A 42 -5.576 4.593 1.287 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -6.905 2.577 3.183 1.00 0.73 H new ATOM 0 HB3 ARG A 42 -6.044 4.001 3.733 1.00 0.73 H new ATOM 0 HG2 ARG A 42 -7.784 5.404 2.535 1.00 1.04 H new ATOM 0 HG3 ARG A 42 -8.678 3.926 2.240 1.00 1.04 H new ATOM 0 HD2 ARG A 42 -8.884 3.518 4.660 1.00 1.28 H new ATOM 0 HD3 ARG A 42 -7.883 4.914 5.011 1.00 1.28 H new ATOM 0 HE ARG A 42 -10.735 4.923 4.370 1.00 1.69 H new ATOM 0 HH11 ARG A 42 -7.784 7.107 4.493 1.00 2.34 H new ATOM 0 HH12 ARG A 42 -8.787 8.547 4.286 1.00 2.34 H new ATOM 0 HH21 ARG A 42 -11.843 6.959 3.906 1.00 2.78 H new ATOM 0 HH22 ARG A 42 -10.928 8.468 3.975 1.00 2.78 H new ATOM 680 N LEU A 43 -3.357 3.408 1.794 1.00 0.46 N ATOM 681 CA LEU A 43 -2.159 2.732 2.185 1.00 0.42 C ATOM 682 C LEU A 43 -1.656 3.159 3.521 1.00 0.43 C ATOM 683 O LEU A 43 -1.081 4.238 3.656 1.00 0.55 O ATOM 684 CB LEU A 43 -1.024 2.690 1.147 1.00 0.55 C ATOM 685 CG LEU A 43 -1.378 1.688 0.034 1.00 0.65 C ATOM 686 CD1 LEU A 43 -0.340 1.789 -1.096 1.00 1.17 C ATOM 687 CD2 LEU A 43 -1.397 0.244 0.563 1.00 1.12 C ATOM 0 H LEU A 43 -3.208 4.329 1.381 1.00 0.46 H new ATOM 0 HA LEU A 43 -2.495 1.698 2.258 1.00 0.42 H new ATOM 0 HB2 LEU A 43 -0.870 3.682 0.722 1.00 0.55 H new ATOM 0 HB3 LEU A 43 -0.089 2.400 1.627 1.00 0.55 H new ATOM 0 HG LEU A 43 -2.373 1.935 -0.336 1.00 0.65 H new ATOM 0 HD11 LEU A 43 -0.590 1.079 -1.885 1.00 1.17 H new ATOM 0 HD12 LEU A 43 -0.343 2.800 -1.503 1.00 1.17 H new ATOM 0 HD13 LEU A 43 0.650 1.559 -0.702 1.00 1.17 H new ATOM 0 HD21 LEU A 43 -1.650 -0.438 -0.249 1.00 1.12 H new ATOM 0 HD22 LEU A 43 -0.414 -0.012 0.958 1.00 1.12 H new ATOM 0 HD23 LEU A 43 -2.140 0.157 1.355 1.00 1.12 H new ATOM 699 N ILE A 44 -1.962 2.349 4.550 1.00 0.42 N ATOM 700 CA ILE A 44 -1.713 2.538 5.945 1.00 0.46 C ATOM 701 C ILE A 44 -0.437 1.841 6.269 1.00 0.42 C ATOM 702 O ILE A 44 -0.211 0.645 6.090 1.00 0.53 O ATOM 703 CB ILE A 44 -2.868 2.045 6.764 1.00 0.58 C ATOM 704 CG1 ILE A 44 -4.088 2.933 6.471 1.00 1.05 C ATOM 705 CG2 ILE A 44 -2.518 1.779 8.239 1.00 1.38 C ATOM 706 CD1 ILE A 44 -4.182 4.137 7.408 1.00 1.27 C ATOM 0 H ILE A 44 -2.438 1.463 4.381 1.00 0.42 H new ATOM 0 HA ILE A 44 -1.613 3.596 6.187 1.00 0.46 H new ATOM 0 HB ILE A 44 -3.148 1.037 6.460 1.00 0.58 H new ATOM 0 HG12 ILE A 44 -4.037 3.284 5.440 1.00 1.05 H new ATOM 0 HG13 ILE A 44 -4.996 2.337 6.561 1.00 1.05 H new ATOM 0 HG21 ILE A 44 -3.405 1.425 8.765 1.00 1.38 H new ATOM 0 HG22 ILE A 44 -1.736 1.022 8.297 1.00 1.38 H new ATOM 0 HG23 ILE A 44 -2.165 2.701 8.701 1.00 1.38 H new ATOM 0 HD11 ILE A 44 -5.062 4.728 7.154 1.00 1.27 H new ATOM 0 HD12 ILE A 44 -4.262 3.791 8.438 1.00 1.27 H new ATOM 0 HD13 ILE A 44 -3.289 4.752 7.300 1.00 1.27 H new ATOM 718 N PHE A 45 0.445 2.584 6.962 1.00 0.42 N ATOM 719 CA PHE A 45 1.664 2.005 7.433 1.00 0.46 C ATOM 720 C PHE A 45 1.534 1.966 8.916 1.00 0.68 C ATOM 721 O PHE A 45 1.225 0.914 9.475 1.00 1.50 O ATOM 722 CB PHE A 45 2.915 2.673 6.838 1.00 0.56 C ATOM 723 CG PHE A 45 4.293 2.213 7.165 1.00 0.64 C ATOM 724 CD1 PHE A 45 4.545 0.871 7.331 1.00 1.08 C ATOM 725 CD2 PHE A 45 5.327 3.120 7.138 1.00 1.19 C ATOM 726 CE1 PHE A 45 5.865 0.507 7.459 1.00 1.20 C ATOM 727 CE2 PHE A 45 6.645 2.740 7.246 1.00 1.33 C ATOM 728 CZ PHE A 45 6.904 1.406 7.455 1.00 1.02 C ATOM 0 H PHE A 45 0.318 3.569 7.193 1.00 0.42 H new ATOM 0 HA PHE A 45 1.823 0.985 7.083 1.00 0.46 H new ATOM 0 HB2 PHE A 45 2.815 2.616 5.754 1.00 0.56 H new ATOM 0 HB3 PHE A 45 2.865 3.728 7.108 1.00 0.56 H new ATOM 0 HD1 PHE A 45 3.749 0.142 7.359 1.00 1.08 H new ATOM 0 HD2 PHE A 45 5.096 4.169 7.028 1.00 1.19 H new ATOM 0 HE1 PHE A 45 6.097 -0.542 7.569 1.00 1.20 H new ATOM 0 HE2 PHE A 45 7.445 3.462 7.170 1.00 1.33 H new ATOM 0 HZ PHE A 45 7.917 1.067 7.615 1.00 1.02 H new ATOM 738 N ALA A 46 1.773 3.054 9.670 1.00 0.81 N ATOM 739 CA ALA A 46 1.691 3.109 11.097 1.00 0.96 C ATOM 740 C ALA A 46 0.471 3.843 11.534 1.00 0.97 C ATOM 741 O ALA A 46 -0.639 3.326 11.653 1.00 1.21 O ATOM 742 CB ALA A 46 3.036 3.692 11.563 1.00 1.20 C ATOM 0 H ALA A 46 2.039 3.948 9.258 1.00 0.81 H new ATOM 0 HA ALA A 46 1.559 2.134 11.566 1.00 0.96 H new ATOM 0 HB1 ALA A 46 3.044 3.763 12.651 1.00 1.20 H new ATOM 0 HB2 ALA A 46 3.847 3.042 11.236 1.00 1.20 H new ATOM 0 HB3 ALA A 46 3.171 4.685 11.133 1.00 1.20 H new ATOM 748 N GLY A 47 0.629 5.148 11.819 1.00 0.99 N ATOM 749 CA GLY A 47 -0.453 5.966 12.270 1.00 1.10 C ATOM 750 C GLY A 47 -1.044 6.818 11.200 1.00 1.03 C ATOM 751 O GLY A 47 -2.114 7.410 11.335 1.00 1.30 O ATOM 0 H GLY A 47 1.518 5.641 11.735 1.00 0.99 H new ATOM 0 HA2 GLY A 47 -1.232 5.327 12.685 1.00 1.10 H new ATOM 0 HA3 GLY A 47 -0.101 6.606 13.079 1.00 1.10 H new ATOM 755 N LYS A 48 -0.458 6.790 9.989 1.00 0.98 N ATOM 756 CA LYS A 48 -0.859 7.577 8.864 1.00 1.05 C ATOM 757 C LYS A 48 -0.965 6.795 7.601 1.00 0.84 C ATOM 758 O LYS A 48 -0.287 5.796 7.363 1.00 0.81 O ATOM 759 CB LYS A 48 0.039 8.788 8.559 1.00 1.42 C ATOM 760 CG LYS A 48 0.455 9.640 9.760 1.00 1.61 C ATOM 761 CD LYS A 48 1.114 10.983 9.439 1.00 1.87 C ATOM 762 CE LYS A 48 2.517 10.712 8.893 1.00 2.22 C ATOM 763 NZ LYS A 48 3.236 11.962 8.558 1.00 2.55 N ATOM 0 H LYS A 48 0.338 6.186 9.785 1.00 0.98 H new ATOM 0 HA LYS A 48 -1.838 7.933 9.185 1.00 1.05 H new ATOM 0 HB2 LYS A 48 0.942 8.429 8.064 1.00 1.42 H new ATOM 0 HB3 LYS A 48 -0.481 9.430 7.847 1.00 1.42 H new ATOM 0 HG2 LYS A 48 -0.429 9.829 10.369 1.00 1.61 H new ATOM 0 HG3 LYS A 48 1.144 9.057 10.371 1.00 1.61 H new ATOM 0 HD2 LYS A 48 0.521 11.531 8.707 1.00 1.87 H new ATOM 0 HD3 LYS A 48 1.168 11.603 10.334 1.00 1.87 H new ATOM 0 HE2 LYS A 48 3.091 10.151 9.631 1.00 2.22 H new ATOM 0 HE3 LYS A 48 2.445 10.087 8.003 1.00 2.22 H new ATOM 0 HZ1 LYS A 48 4.182 11.731 8.192 1.00 2.55 H new ATOM 0 HZ2 LYS A 48 2.703 12.486 7.835 1.00 2.55 H new ATOM 0 HZ3 LYS A 48 3.329 12.548 9.412 1.00 2.55 H new ATOM 777 N GLN A 49 -1.796 7.216 6.630 1.00 0.84 N ATOM 778 CA GLN A 49 -1.759 6.793 5.264 1.00 0.80 C ATOM 779 C GLN A 49 -0.725 7.574 4.530 1.00 0.72 C ATOM 780 O GLN A 49 -0.375 8.727 4.772 1.00 0.83 O ATOM 781 CB GLN A 49 -3.153 6.785 4.616 1.00 1.03 C ATOM 782 CG GLN A 49 -3.781 8.169 4.443 1.00 1.67 C ATOM 783 CD GLN A 49 -5.176 8.061 3.843 1.00 1.92 C ATOM 784 OE1 GLN A 49 -5.943 7.318 4.453 1.00 2.24 O ATOM 785 NE2 GLN A 49 -5.577 8.825 2.792 1.00 2.48 N ATOM 0 H GLN A 49 -2.538 7.892 6.810 1.00 0.84 H new ATOM 0 HA GLN A 49 -1.453 5.748 5.212 1.00 0.80 H new ATOM 0 HB2 GLN A 49 -3.083 6.307 3.639 1.00 1.03 H new ATOM 0 HB3 GLN A 49 -3.818 6.172 5.223 1.00 1.03 H new ATOM 0 HG2 GLN A 49 -3.834 8.672 5.409 1.00 1.67 H new ATOM 0 HG3 GLN A 49 -3.150 8.781 3.799 1.00 1.67 H new ATOM 0 HE21 GLN A 49 -4.907 9.428 2.314 1.00 2.48 H new ATOM 0 HE22 GLN A 49 -6.548 8.796 2.481 1.00 2.48 H new ATOM 794 N LEU A 50 -0.022 6.862 3.629 1.00 0.69 N ATOM 795 CA LEU A 50 1.036 7.378 2.818 1.00 0.66 C ATOM 796 C LEU A 50 0.383 8.184 1.748 1.00 0.72 C ATOM 797 O LEU A 50 -0.680 7.893 1.204 1.00 0.90 O ATOM 798 CB LEU A 50 1.897 6.237 2.249 1.00 0.65 C ATOM 799 CG LEU A 50 2.307 5.137 3.243 1.00 0.64 C ATOM 800 CD1 LEU A 50 2.929 3.944 2.498 1.00 0.77 C ATOM 801 CD2 LEU A 50 3.138 5.580 4.460 1.00 0.74 C ATOM 0 H LEU A 50 -0.203 5.873 3.458 1.00 0.69 H new ATOM 0 HA LEU A 50 1.721 8.000 3.394 1.00 0.66 H new ATOM 0 HB2 LEU A 50 1.351 5.772 1.429 1.00 0.65 H new ATOM 0 HB3 LEU A 50 2.803 6.670 1.824 1.00 0.65 H new ATOM 0 HG LEU A 50 1.374 4.824 3.711 1.00 0.64 H new ATOM 0 HD11 LEU A 50 3.213 3.175 3.216 1.00 0.77 H new ATOM 0 HD12 LEU A 50 2.202 3.534 1.796 1.00 0.77 H new ATOM 0 HD13 LEU A 50 3.813 4.276 1.953 1.00 0.77 H new ATOM 0 HD21 LEU A 50 3.362 4.714 5.082 1.00 0.74 H new ATOM 0 HD22 LEU A 50 4.069 6.033 4.119 1.00 0.74 H new ATOM 0 HD23 LEU A 50 2.572 6.308 5.041 1.00 0.74 H new ATOM 813 N GLU A 51 0.971 9.334 1.373 1.00 0.70 N ATOM 814 CA GLU A 51 0.457 10.140 0.310 1.00 0.76 C ATOM 815 C GLU A 51 0.929 9.764 -1.053 1.00 0.77 C ATOM 816 O GLU A 51 2.107 9.507 -1.296 1.00 1.23 O ATOM 817 CB GLU A 51 0.874 11.588 0.618 1.00 0.88 C ATOM 818 CG GLU A 51 0.418 12.665 -0.369 1.00 1.35 C ATOM 819 CD GLU A 51 0.709 14.022 0.252 1.00 1.46 C ATOM 820 OE1 GLU A 51 -0.087 14.487 1.112 1.00 1.89 O ATOM 821 OE2 GLU A 51 1.613 14.776 -0.199 1.00 1.94 O ATOM 0 H GLU A 51 1.812 9.709 1.812 1.00 0.70 H new ATOM 0 HA GLU A 51 -0.623 9.997 0.276 1.00 0.76 H new ATOM 0 HB2 GLU A 51 0.491 11.848 1.605 1.00 0.88 H new ATOM 0 HB3 GLU A 51 1.962 11.622 0.679 1.00 0.88 H new ATOM 0 HG2 GLU A 51 0.943 12.559 -1.318 1.00 1.35 H new ATOM 0 HG3 GLU A 51 -0.646 12.563 -0.580 1.00 1.35 H new ATOM 828 N ASP A 52 0.013 9.756 -2.038 1.00 0.66 N ATOM 829 CA ASP A 52 0.227 9.159 -3.320 1.00 0.65 C ATOM 830 C ASP A 52 1.420 9.518 -4.138 1.00 0.60 C ATOM 831 O ASP A 52 2.285 8.708 -4.466 1.00 0.62 O ATOM 832 CB ASP A 52 -0.984 9.425 -4.229 1.00 0.81 C ATOM 833 CG ASP A 52 -2.352 8.928 -3.779 1.00 0.95 C ATOM 834 OD1 ASP A 52 -2.851 9.516 -2.783 1.00 1.44 O ATOM 835 OD2 ASP A 52 -2.830 7.856 -4.237 1.00 1.56 O ATOM 0 H ASP A 52 -0.909 10.180 -1.938 1.00 0.66 H new ATOM 0 HA ASP A 52 0.397 8.126 -3.017 1.00 0.65 H new ATOM 0 HB2 ASP A 52 -1.055 10.502 -4.380 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -0.773 8.980 -5.202 1.00 0.81 H new ATOM 840 N GLY A 53 1.574 10.797 -4.523 1.00 0.68 N ATOM 841 CA GLY A 53 2.774 11.285 -5.128 1.00 0.73 C ATOM 842 C GLY A 53 3.998 11.523 -4.312 1.00 0.72 C ATOM 843 O GLY A 53 4.769 12.388 -4.723 1.00 0.97 O ATOM 0 H GLY A 53 0.850 11.507 -4.412 1.00 0.68 H new ATOM 0 HA2 GLY A 53 3.045 10.581 -5.914 1.00 0.73 H new ATOM 0 HA3 GLY A 53 2.526 12.228 -5.616 1.00 0.73 H new ATOM 847 N ARG A 54 4.111 10.799 -3.184 1.00 0.64 N ATOM 848 CA ARG A 54 5.326 10.870 -2.434 1.00 0.63 C ATOM 849 C ARG A 54 5.948 9.518 -2.519 1.00 0.59 C ATOM 850 O ARG A 54 5.276 8.536 -2.827 1.00 0.62 O ATOM 851 CB ARG A 54 4.968 11.158 -0.966 1.00 0.69 C ATOM 852 CG ARG A 54 4.194 12.462 -0.760 1.00 0.82 C ATOM 853 CD ARG A 54 5.077 13.666 -1.092 1.00 1.18 C ATOM 854 NE ARG A 54 4.334 14.869 -0.624 1.00 1.50 N ATOM 855 CZ ARG A 54 4.913 15.930 0.009 1.00 2.00 C ATOM 856 NH1 ARG A 54 6.269 16.044 0.114 1.00 2.48 N ATOM 857 NH2 ARG A 54 4.125 16.897 0.564 1.00 2.49 N ATOM 0 H ARG A 54 3.391 10.186 -2.802 1.00 0.64 H new ATOM 0 HA ARG A 54 5.995 11.644 -2.809 1.00 0.63 H new ATOM 0 HB2 ARG A 54 4.375 10.330 -0.578 1.00 0.69 H new ATOM 0 HB3 ARG A 54 5.886 11.195 -0.379 1.00 0.69 H new ATOM 0 HG2 ARG A 54 3.306 12.469 -1.393 1.00 0.82 H new ATOM 0 HG3 ARG A 54 3.850 12.529 0.272 1.00 0.82 H new ATOM 0 HD2 ARG A 54 6.044 13.588 -0.595 1.00 1.18 H new ATOM 0 HD3 ARG A 54 5.273 13.722 -2.163 1.00 1.18 H new ATOM 0 HE ARG A 54 3.328 14.902 -0.787 1.00 1.50 H new ATOM 0 HH11 ARG A 54 6.874 15.326 -0.286 1.00 2.48 H new ATOM 0 HH12 ARG A 54 6.678 16.847 0.592 1.00 2.48 H new ATOM 0 HH21 ARG A 54 3.109 16.824 0.504 1.00 2.49 H new ATOM 0 HH22 ARG A 54 4.552 17.693 1.039 1.00 2.49 H new ATOM 871 N THR A 55 7.265 9.437 -2.261 1.00 0.63 N ATOM 872 CA THR A 55 7.979 8.204 -2.386 1.00 0.61 C ATOM 873 C THR A 55 8.002 7.302 -1.200 1.00 0.59 C ATOM 874 O THR A 55 7.787 7.736 -0.069 1.00 0.64 O ATOM 875 CB THR A 55 9.406 8.330 -2.832 1.00 0.68 C ATOM 876 OG1 THR A 55 10.190 8.900 -1.794 1.00 0.75 O ATOM 877 CG2 THR A 55 9.659 9.206 -4.071 1.00 0.76 C ATOM 0 H THR A 55 7.837 10.228 -1.965 1.00 0.63 H new ATOM 0 HA THR A 55 7.360 7.753 -3.162 1.00 0.61 H new ATOM 0 HB THR A 55 9.677 7.306 -3.089 1.00 0.68 H new ATOM 0 HG1 THR A 55 9.841 9.788 -1.570 1.00 0.75 H new ATOM 0 HG21 THR A 55 10.726 9.220 -4.295 1.00 0.76 H new ATOM 0 HG22 THR A 55 9.115 8.798 -4.922 1.00 0.76 H new ATOM 0 HG23 THR A 55 9.316 10.222 -3.874 1.00 0.76 H new ATOM 885 N LEU A 56 8.224 5.984 -1.352 1.00 0.58 N ATOM 886 CA LEU A 56 8.513 5.061 -0.298 1.00 0.59 C ATOM 887 C LEU A 56 9.659 5.463 0.564 1.00 0.64 C ATOM 888 O LEU A 56 9.617 5.227 1.770 1.00 0.70 O ATOM 889 CB LEU A 56 8.597 3.635 -0.870 1.00 0.60 C ATOM 890 CG LEU A 56 7.187 3.197 -1.302 1.00 0.63 C ATOM 891 CD1 LEU A 56 7.308 1.908 -2.132 1.00 1.05 C ATOM 892 CD2 LEU A 56 6.155 2.884 -0.205 1.00 1.03 C ATOM 0 H LEU A 56 8.200 5.536 -2.268 1.00 0.58 H new ATOM 0 HA LEU A 56 7.683 5.076 0.409 1.00 0.59 H new ATOM 0 HB2 LEU A 56 9.279 3.608 -1.720 1.00 0.60 H new ATOM 0 HB3 LEU A 56 8.993 2.949 -0.121 1.00 0.60 H new ATOM 0 HG LEU A 56 6.811 4.074 -1.828 1.00 0.63 H new ATOM 0 HD11 LEU A 56 6.316 1.583 -2.447 1.00 1.05 H new ATOM 0 HD12 LEU A 56 7.924 2.098 -3.011 1.00 1.05 H new ATOM 0 HD13 LEU A 56 7.770 1.128 -1.527 1.00 1.05 H new ATOM 0 HD21 LEU A 56 5.212 2.590 -0.666 1.00 1.03 H new ATOM 0 HD22 LEU A 56 6.523 2.070 0.419 1.00 1.03 H new ATOM 0 HD23 LEU A 56 5.998 3.770 0.410 1.00 1.03 H new ATOM 904 N SER A 57 10.726 6.003 -0.052 1.00 0.68 N ATOM 905 CA SER A 57 11.857 6.537 0.642 1.00 0.75 C ATOM 906 C SER A 57 11.556 7.606 1.636 1.00 0.76 C ATOM 907 O SER A 57 12.184 7.649 2.692 1.00 0.84 O ATOM 908 CB SER A 57 12.905 7.088 -0.339 1.00 0.84 C ATOM 909 OG SER A 57 14.162 7.305 0.284 1.00 1.19 O ATOM 0 H SER A 57 10.804 6.070 -1.067 1.00 0.68 H new ATOM 0 HA SER A 57 12.237 5.680 1.199 1.00 0.75 H new ATOM 0 HB2 SER A 57 13.028 6.390 -1.167 1.00 0.84 H new ATOM 0 HB3 SER A 57 12.545 8.025 -0.763 1.00 0.84 H new ATOM 0 HG SER A 57 14.798 7.653 -0.375 1.00 1.19 H new ATOM 915 N ASP A 58 10.580 8.485 1.346 1.00 0.75 N ATOM 916 CA ASP A 58 10.075 9.514 2.202 1.00 0.78 C ATOM 917 C ASP A 58 9.557 9.190 3.560 1.00 0.77 C ATOM 918 O ASP A 58 9.481 10.021 4.464 1.00 0.86 O ATOM 919 CB ASP A 58 9.104 10.419 1.425 1.00 0.83 C ATOM 920 CG ASP A 58 9.607 11.258 0.259 1.00 1.23 C ATOM 921 OD1 ASP A 58 10.563 12.054 0.456 1.00 1.90 O ATOM 922 OD2 ASP A 58 9.010 11.215 -0.850 1.00 1.86 O ATOM 0 H ASP A 58 10.108 8.474 0.442 1.00 0.75 H new ATOM 0 HA ASP A 58 10.995 10.026 2.484 1.00 0.78 H new ATOM 0 HB2 ASP A 58 8.304 9.784 1.045 1.00 0.83 H new ATOM 0 HB3 ASP A 58 8.653 11.103 2.144 1.00 0.83 H new ATOM 927 N TYR A 59 9.012 7.963 3.656 1.00 0.72 N ATOM 928 CA TYR A 59 8.435 7.435 4.853 1.00 0.73 C ATOM 929 C TYR A 59 9.430 6.584 5.563 1.00 0.76 C ATOM 930 O TYR A 59 9.148 6.102 6.659 1.00 0.89 O ATOM 931 CB TYR A 59 7.300 6.488 4.427 1.00 0.73 C ATOM 932 CG TYR A 59 6.235 7.412 3.948 1.00 0.67 C ATOM 933 CD1 TYR A 59 5.513 8.133 4.870 1.00 0.74 C ATOM 934 CD2 TYR A 59 5.977 7.597 2.610 1.00 0.67 C ATOM 935 CE1 TYR A 59 4.642 9.107 4.442 1.00 0.77 C ATOM 936 CE2 TYR A 59 5.112 8.567 2.160 1.00 0.70 C ATOM 937 CZ TYR A 59 4.409 9.285 3.099 1.00 0.74 C ATOM 938 OH TYR A 59 3.454 10.263 2.750 1.00 0.86 O ATOM 0 H TYR A 59 8.972 7.315 2.870 1.00 0.72 H new ATOM 0 HA TYR A 59 8.101 8.253 5.491 1.00 0.73 H new ATOM 0 HB2 TYR A 59 7.622 5.805 3.641 1.00 0.73 H new ATOM 0 HB3 TYR A 59 6.955 5.876 5.260 1.00 0.73 H new ATOM 0 HD1 TYR A 59 5.630 7.935 5.925 1.00 0.74 H new ATOM 0 HD2 TYR A 59 6.469 6.960 1.890 1.00 0.67 H new ATOM 0 HE1 TYR A 59 4.139 9.734 5.163 1.00 0.77 H new ATOM 0 HE2 TYR A 59 4.989 8.759 1.104 1.00 0.70 H new ATOM 0 HH TYR A 59 3.685 10.649 1.879 1.00 0.86 H new ATOM 948 N ASN A 60 10.659 6.381 5.055 1.00 0.74 N ATOM 949 CA ASN A 60 11.722 5.574 5.567 1.00 0.79 C ATOM 950 C ASN A 60 11.310 4.142 5.550 1.00 0.75 C ATOM 951 O ASN A 60 11.232 3.419 6.541 1.00 0.86 O ATOM 952 CB ASN A 60 12.384 6.062 6.867 1.00 0.95 C ATOM 953 CG ASN A 60 12.696 7.542 6.700 1.00 1.25 C ATOM 954 OD1 ASN A 60 13.486 7.949 5.849 1.00 1.84 O ATOM 955 ND2 ASN A 60 12.009 8.410 7.490 1.00 1.83 N ATOM 0 H ASN A 60 10.935 6.837 4.185 1.00 0.74 H new ATOM 0 HA ASN A 60 12.566 5.687 4.887 1.00 0.79 H new ATOM 0 HB2 ASN A 60 11.720 5.905 7.717 1.00 0.95 H new ATOM 0 HB3 ASN A 60 13.296 5.499 7.067 1.00 0.95 H new ATOM 0 HD21 ASN A 60 12.145 9.415 7.382 1.00 1.83 H new ATOM 0 HD22 ASN A 60 11.358 8.056 8.191 1.00 1.83 H new ATOM 962 N ILE A 61 11.159 3.584 4.335 1.00 0.67 N ATOM 963 CA ILE A 61 10.787 2.270 3.913 1.00 0.65 C ATOM 964 C ILE A 61 11.937 1.892 3.045 1.00 0.66 C ATOM 965 O ILE A 61 12.297 2.621 2.122 1.00 0.75 O ATOM 966 CB ILE A 61 9.510 2.312 3.125 1.00 0.63 C ATOM 967 CG1 ILE A 61 8.337 2.900 3.927 1.00 0.70 C ATOM 968 CG2 ILE A 61 9.231 0.840 2.776 1.00 0.72 C ATOM 969 CD1 ILE A 61 6.917 2.869 3.364 1.00 0.82 C ATOM 0 H ILE A 61 11.330 4.163 3.513 1.00 0.67 H new ATOM 0 HA ILE A 61 10.604 1.572 4.730 1.00 0.65 H new ATOM 0 HB ILE A 61 9.610 2.955 2.250 1.00 0.63 H new ATOM 0 HG12 ILE A 61 8.313 2.384 4.887 1.00 0.70 H new ATOM 0 HG13 ILE A 61 8.579 3.943 4.132 1.00 0.70 H new ATOM 0 HG21 ILE A 61 8.310 0.772 2.196 1.00 0.72 H new ATOM 0 HG22 ILE A 61 10.059 0.442 2.190 1.00 0.72 H new ATOM 0 HG23 ILE A 61 9.125 0.262 3.694 1.00 0.72 H new ATOM 0 HD11 ILE A 61 6.233 3.330 4.076 1.00 0.82 H new ATOM 0 HD12 ILE A 61 6.886 3.419 2.423 1.00 0.82 H new ATOM 0 HD13 ILE A 61 6.617 1.836 3.190 1.00 0.82 H new ATOM 981 N GLN A 62 12.681 0.875 3.517 1.00 0.67 N ATOM 982 CA GLN A 62 13.879 0.377 2.915 1.00 0.70 C ATOM 983 C GLN A 62 13.886 -1.110 3.002 1.00 0.62 C ATOM 984 O GLN A 62 14.463 -1.709 2.096 1.00 0.64 O ATOM 985 CB GLN A 62 15.017 0.897 3.810 1.00 0.85 C ATOM 986 CG GLN A 62 15.512 2.309 3.492 1.00 1.27 C ATOM 987 CD GLN A 62 16.018 2.388 2.057 1.00 1.57 C ATOM 988 OE1 GLN A 62 16.669 1.502 1.506 1.00 2.08 O ATOM 989 NE2 GLN A 62 15.846 3.546 1.366 1.00 2.16 N ATOM 0 H GLN A 62 12.431 0.372 4.368 1.00 0.67 H new ATOM 0 HA GLN A 62 13.970 0.683 1.873 1.00 0.70 H new ATOM 0 HB2 GLN A 62 14.680 0.874 4.846 1.00 0.85 H new ATOM 0 HB3 GLN A 62 15.859 0.210 3.733 1.00 0.85 H new ATOM 0 HG2 GLN A 62 14.704 3.025 3.638 1.00 1.27 H new ATOM 0 HG3 GLN A 62 16.311 2.584 4.181 1.00 1.27 H new ATOM 0 HE21 GLN A 62 15.314 4.312 1.779 1.00 2.16 H new ATOM 0 HE22 GLN A 62 16.249 3.649 0.435 1.00 2.16 H new ATOM 998 N LYS A 63 13.216 -1.800 3.941 1.00 0.64 N ATOM 999 CA LYS A 63 13.139 -3.213 4.152 1.00 0.62 C ATOM 1000 C LYS A 63 11.802 -3.739 3.758 1.00 0.59 C ATOM 1001 O LYS A 63 10.955 -3.043 3.202 1.00 0.66 O ATOM 1002 CB LYS A 63 13.385 -3.528 5.637 1.00 0.74 C ATOM 1003 CG LYS A 63 14.664 -2.889 6.183 1.00 0.89 C ATOM 1004 CD LYS A 63 14.766 -3.182 7.681 1.00 1.11 C ATOM 1005 CE LYS A 63 14.762 -4.589 8.282 1.00 1.47 C ATOM 1006 NZ LYS A 63 15.911 -5.352 7.745 1.00 2.12 N ATOM 0 H LYS A 63 12.661 -1.302 4.637 1.00 0.64 H new ATOM 0 HA LYS A 63 13.900 -3.691 3.536 1.00 0.62 H new ATOM 0 HB2 LYS A 63 12.534 -3.180 6.222 1.00 0.74 H new ATOM 0 HB3 LYS A 63 13.441 -4.609 5.768 1.00 0.74 H new ATOM 0 HG2 LYS A 63 15.535 -3.285 5.662 1.00 0.89 H new ATOM 0 HG3 LYS A 63 14.651 -1.813 6.010 1.00 0.89 H new ATOM 0 HD2 LYS A 63 15.687 -2.709 8.021 1.00 1.11 H new ATOM 0 HD3 LYS A 63 13.941 -2.648 8.152 1.00 1.11 H new ATOM 0 HE2 LYS A 63 14.824 -4.533 9.369 1.00 1.47 H new ATOM 0 HE3 LYS A 63 13.828 -5.097 8.041 1.00 1.47 H new ATOM 0 HZ1 LYS A 63 15.912 -6.309 8.151 1.00 2.12 H new ATOM 0 HZ2 LYS A 63 15.833 -5.415 6.710 1.00 2.12 H new ATOM 0 HZ3 LYS A 63 16.797 -4.868 7.996 1.00 2.12 H new ATOM 1020 N GLU A 64 11.596 -5.035 4.055 1.00 0.57 N ATOM 1021 CA GLU A 64 10.377 -5.746 3.819 1.00 0.58 C ATOM 1022 C GLU A 64 9.280 -5.383 4.759 1.00 0.56 C ATOM 1023 O GLU A 64 9.057 -6.127 5.713 1.00 0.70 O ATOM 1024 CB GLU A 64 10.650 -7.259 3.810 1.00 0.72 C ATOM 1025 CG GLU A 64 11.333 -7.974 4.978 1.00 0.96 C ATOM 1026 CD GLU A 64 12.804 -7.605 5.111 1.00 1.18 C ATOM 1027 OE1 GLU A 64 13.579 -7.762 4.130 1.00 1.69 O ATOM 1028 OE2 GLU A 64 13.127 -7.043 6.192 1.00 1.71 O ATOM 0 H GLU A 64 12.317 -5.617 4.482 1.00 0.57 H new ATOM 0 HA GLU A 64 10.013 -5.443 2.837 1.00 0.58 H new ATOM 0 HB2 GLU A 64 9.688 -7.750 3.663 1.00 0.72 H new ATOM 0 HB3 GLU A 64 11.251 -7.463 2.924 1.00 0.72 H new ATOM 0 HG2 GLU A 64 10.815 -7.726 5.904 1.00 0.96 H new ATOM 0 HG3 GLU A 64 11.243 -9.052 4.842 1.00 0.96 H new ATOM 1035 N SER A 65 8.616 -4.229 4.560 1.00 0.51 N ATOM 1036 CA SER A 65 7.682 -3.651 5.475 1.00 0.51 C ATOM 1037 C SER A 65 6.326 -4.264 5.416 1.00 0.43 C ATOM 1038 O SER A 65 6.002 -4.842 4.379 1.00 0.50 O ATOM 1039 CB SER A 65 7.797 -2.118 5.524 1.00 0.65 C ATOM 1040 OG SER A 65 7.247 -1.538 4.352 1.00 1.04 O ATOM 0 H SER A 65 8.738 -3.671 3.715 1.00 0.51 H new ATOM 0 HA SER A 65 7.967 -3.934 6.488 1.00 0.51 H new ATOM 0 HB2 SER A 65 7.277 -1.737 6.403 1.00 0.65 H new ATOM 0 HB3 SER A 65 8.843 -1.829 5.622 1.00 0.65 H new ATOM 0 HG SER A 65 7.181 -0.567 4.468 1.00 1.04 H new ATOM 1046 N THR A 66 5.478 -4.157 6.455 1.00 0.45 N ATOM 1047 CA THR A 66 4.164 -4.721 6.414 1.00 0.45 C ATOM 1048 C THR A 66 3.360 -3.472 6.298 1.00 0.43 C ATOM 1049 O THR A 66 3.409 -2.578 7.142 1.00 0.58 O ATOM 1050 CB THR A 66 3.784 -5.526 7.621 1.00 0.61 C ATOM 1051 OG1 THR A 66 4.394 -6.807 7.553 1.00 0.79 O ATOM 1052 CG2 THR A 66 2.282 -5.848 7.682 1.00 0.78 C ATOM 0 H THR A 66 5.704 -3.678 7.327 1.00 0.45 H new ATOM 0 HA THR A 66 4.032 -5.454 5.618 1.00 0.45 H new ATOM 0 HB THR A 66 4.093 -4.923 8.475 1.00 0.61 H new ATOM 0 HG1 THR A 66 4.145 -7.330 8.344 1.00 0.79 H new ATOM 0 HG21 THR A 66 2.071 -6.432 8.578 1.00 0.78 H new ATOM 0 HG22 THR A 66 1.712 -4.920 7.712 1.00 0.78 H new ATOM 0 HG23 THR A 66 1.997 -6.421 6.800 1.00 0.78 H new ATOM 1060 N LEU A 67 2.629 -3.223 5.197 1.00 0.38 N ATOM 1061 CA LEU A 67 1.760 -2.102 5.026 1.00 0.38 C ATOM 1062 C LEU A 67 0.371 -2.637 5.086 1.00 0.37 C ATOM 1063 O LEU A 67 0.165 -3.850 5.040 1.00 0.50 O ATOM 1064 CB LEU A 67 1.870 -1.522 3.606 1.00 0.46 C ATOM 1065 CG LEU A 67 3.150 -0.705 3.354 1.00 0.65 C ATOM 1066 CD1 LEU A 67 4.457 -1.486 3.134 1.00 1.40 C ATOM 1067 CD2 LEU A 67 2.968 0.192 2.118 1.00 1.31 C ATOM 0 H LEU A 67 2.646 -3.837 4.383 1.00 0.38 H new ATOM 0 HA LEU A 67 2.008 -1.350 5.775 1.00 0.38 H new ATOM 0 HB2 LEU A 67 1.828 -2.340 2.887 1.00 0.46 H new ATOM 0 HB3 LEU A 67 1.004 -0.887 3.417 1.00 0.46 H new ATOM 0 HG LEU A 67 3.270 -0.160 4.291 1.00 0.65 H new ATOM 0 HD11 LEU A 67 5.276 -0.786 2.969 1.00 1.40 H new ATOM 0 HD12 LEU A 67 4.671 -2.093 4.014 1.00 1.40 H new ATOM 0 HD13 LEU A 67 4.352 -2.133 2.263 1.00 1.40 H new ATOM 0 HD21 LEU A 67 3.879 0.766 1.948 1.00 1.31 H new ATOM 0 HD22 LEU A 67 2.762 -0.428 1.246 1.00 1.31 H new ATOM 0 HD23 LEU A 67 2.134 0.875 2.283 1.00 1.31 H new ATOM 1079 N HIS A 68 -0.662 -1.784 5.197 1.00 0.35 N ATOM 1080 CA HIS A 68 -2.022 -2.216 5.291 1.00 0.37 C ATOM 1081 C HIS A 68 -2.911 -1.563 4.289 1.00 0.35 C ATOM 1082 O HIS A 68 -2.834 -0.361 4.038 1.00 0.48 O ATOM 1083 CB HIS A 68 -2.403 -1.995 6.765 1.00 0.49 C ATOM 1084 CG HIS A 68 -1.430 -2.706 7.658 1.00 0.75 C ATOM 1085 ND1 HIS A 68 -1.490 -4.050 7.966 1.00 1.35 N ATOM 1086 CD2 HIS A 68 -0.299 -2.253 8.264 1.00 1.48 C ATOM 1087 CE1 HIS A 68 -0.406 -4.306 8.747 1.00 1.41 C ATOM 1088 NE2 HIS A 68 0.363 -3.252 8.949 1.00 1.51 N ATOM 0 H HIS A 68 -0.550 -0.770 5.222 1.00 0.35 H new ATOM 0 HA HIS A 68 -2.149 -3.267 5.030 1.00 0.37 H new ATOM 0 HB2 HIS A 68 -2.406 -0.929 6.993 1.00 0.49 H new ATOM 0 HB3 HIS A 68 -3.413 -2.363 6.947 1.00 0.49 H new ATOM 0 HD2 HIS A 68 0.042 -1.229 8.215 1.00 1.48 H new ATOM 0 HE1 HIS A 68 -0.194 -5.280 9.163 1.00 1.41 H new ATOM 0 HE2 HIS A 68 1.232 -3.191 9.480 1.00 1.51 H new ATOM 1096 N LEU A 69 -3.800 -2.308 3.609 1.00 0.36 N ATOM 1097 CA LEU A 69 -4.696 -1.768 2.634 1.00 0.38 C ATOM 1098 C LEU A 69 -6.055 -1.740 3.245 1.00 0.41 C ATOM 1099 O LEU A 69 -6.703 -2.765 3.447 1.00 0.56 O ATOM 1100 CB LEU A 69 -4.819 -2.774 1.478 1.00 0.48 C ATOM 1101 CG LEU A 69 -5.803 -2.430 0.346 1.00 0.56 C ATOM 1102 CD1 LEU A 69 -5.401 -1.041 -0.178 1.00 1.01 C ATOM 1103 CD2 LEU A 69 -5.993 -3.497 -0.745 1.00 1.14 C ATOM 0 H LEU A 69 -3.899 -3.315 3.741 1.00 0.36 H new ATOM 0 HA LEU A 69 -4.343 -0.790 2.306 1.00 0.38 H new ATOM 0 HB2 LEU A 69 -3.830 -2.905 1.038 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -5.111 -3.737 1.898 1.00 0.48 H new ATOM 0 HG LEU A 69 -6.813 -2.411 0.755 1.00 0.56 H new ATOM 0 HD11 LEU A 69 -6.071 -0.749 -0.986 1.00 1.01 H new ATOM 0 HD12 LEU A 69 -5.469 -0.313 0.631 1.00 1.01 H new ATOM 0 HD13 LEU A 69 -4.377 -1.075 -0.550 1.00 1.01 H new ATOM 0 HD21 LEU A 69 -6.709 -3.138 -1.484 1.00 1.14 H new ATOM 0 HD22 LEU A 69 -5.038 -3.695 -1.231 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -6.368 -4.416 -0.294 1.00 1.14 H new ATOM 1115 N VAL A 70 -6.478 -0.507 3.573 1.00 0.45 N ATOM 1116 CA VAL A 70 -7.789 -0.294 4.102 1.00 0.56 C ATOM 1117 C VAL A 70 -8.575 0.139 2.912 1.00 0.55 C ATOM 1118 O VAL A 70 -8.102 0.807 1.993 1.00 0.58 O ATOM 1119 CB VAL A 70 -7.934 0.686 5.228 1.00 0.77 C ATOM 1120 CG1 VAL A 70 -9.359 0.732 5.805 1.00 1.23 C ATOM 1121 CG2 VAL A 70 -6.923 0.284 6.316 1.00 0.97 C ATOM 0 H VAL A 70 -5.916 0.338 3.473 1.00 0.45 H new ATOM 0 HA VAL A 70 -8.127 -1.211 4.584 1.00 0.56 H new ATOM 0 HB VAL A 70 -7.738 1.690 4.852 1.00 0.77 H new ATOM 0 HG11 VAL A 70 -9.400 1.459 6.616 1.00 1.23 H new ATOM 0 HG12 VAL A 70 -10.059 1.022 5.022 1.00 1.23 H new ATOM 0 HG13 VAL A 70 -9.629 -0.253 6.187 1.00 1.23 H new ATOM 0 HG21 VAL A 70 -6.998 0.975 7.155 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -7.140 -0.728 6.659 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -5.914 0.319 5.906 1.00 0.97 H new ATOM 1131 N LEU A 71 -9.857 -0.233 2.754 1.00 0.73 N ATOM 1132 CA LEU A 71 -10.696 0.168 1.667 1.00 0.84 C ATOM 1133 C LEU A 71 -11.780 1.092 2.103 1.00 0.85 C ATOM 1134 O LEU A 71 -12.386 0.940 3.161 1.00 1.03 O ATOM 1135 CB LEU A 71 -11.226 -0.989 0.804 1.00 1.26 C ATOM 1136 CG LEU A 71 -10.186 -1.935 0.181 1.00 1.86 C ATOM 1137 CD1 LEU A 71 -10.860 -3.048 -0.639 1.00 1.95 C ATOM 1138 CD2 LEU A 71 -9.095 -1.154 -0.571 1.00 2.78 C ATOM 0 H LEU A 71 -10.333 -0.844 3.418 1.00 0.73 H new ATOM 0 HA LEU A 71 -10.038 0.727 1.002 1.00 0.84 H new ATOM 0 HB2 LEU A 71 -11.901 -1.586 1.417 1.00 1.26 H new ATOM 0 HB3 LEU A 71 -11.821 -0.563 -0.003 1.00 1.26 H new ATOM 0 HG LEU A 71 -9.660 -2.454 0.982 1.00 1.86 H new ATOM 0 HD11 LEU A 71 -10.097 -3.699 -1.065 1.00 1.95 H new ATOM 0 HD12 LEU A 71 -11.514 -3.632 0.009 1.00 1.95 H new ATOM 0 HD13 LEU A 71 -11.448 -2.603 -1.442 1.00 1.95 H new ATOM 0 HD21 LEU A 71 -8.376 -1.853 -0.999 1.00 2.78 H new ATOM 0 HD22 LEU A 71 -9.551 -0.569 -1.369 1.00 2.78 H new ATOM 0 HD23 LEU A 71 -8.583 -0.486 0.122 1.00 2.78 H new