USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 603 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 150:sc= -0.159 (180deg=-1.1) USER MOD Single : A 1 MET N :NH3+ 167:sc= -0.0111 (180deg=-0.215) USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.504 USER MOD Single : A 5 THR OG1 : rot 36:sc= 0.175 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -146:sc= -2.32! USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 63:sc= 0.422 USER MOD Single : A 24 SER OG : rot 96:sc= -5.7! USER MOD Single : A 28 ASN :FLIP amide:sc= -2.17! C(o=-3.1!,f=-2.2!) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 157:sc= -0.0045 (180deg=-0.105) USER MOD Single : A 47 LYS NZ :NH3+ -116:sc= -0.354 (180deg=-1.06) USER MOD Single : A 48 MET CE :methyl 149:sc= -0.0244 (180deg=-0.985) USER MOD Single : A 52 ASN : amide:sc= -0.395 K(o=-0.4,f=-2.6!) USER MOD Single : A 55 SER OG : rot 180:sc= -0.496 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 MET CE :methyl 159:sc= -0.225 (180deg=-1.41) USER MOD Single : A 66 THR OG1 : rot 76:sc= 0.708! USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.921 20.322 0.552 1.00 0.00 N ATOM 2 CA MET A 1 -2.710 21.274 1.384 1.00 0.00 C ATOM 3 C MET A 1 -3.744 21.981 0.506 1.00 0.00 C ATOM 4 O MET A 1 -4.079 23.128 0.724 1.00 0.00 O ATOM 5 CB MET A 1 -1.769 22.311 2.000 1.00 0.00 C ATOM 6 CG MET A 1 -2.364 22.826 3.311 1.00 0.00 C ATOM 7 SD MET A 1 -1.309 24.137 3.979 1.00 0.00 S ATOM 8 CE MET A 1 -1.705 25.398 2.744 1.00 0.00 C ATOM 0 H1 MET A 1 -1.085 20.007 1.084 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.510 19.499 0.313 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.617 20.795 -0.323 1.00 0.00 H new ATOM 0 HA MET A 1 -3.220 20.728 2.178 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.791 21.867 2.182 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.619 23.139 1.307 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.371 23.206 3.141 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.448 22.011 4.030 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.627 26.387 3.196 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.006 25.323 1.911 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.721 25.245 2.380 1.00 0.00 H new ATOM 20 N THR A 2 -4.252 21.304 -0.487 1.00 0.00 N ATOM 21 CA THR A 2 -5.263 21.933 -1.381 1.00 0.00 C ATOM 22 C THR A 2 -5.675 20.933 -2.461 1.00 0.00 C ATOM 23 O THR A 2 -5.398 21.116 -3.630 1.00 0.00 O ATOM 24 CB THR A 2 -4.660 23.177 -2.037 1.00 0.00 C ATOM 25 OG1 THR A 2 -3.241 23.097 -1.985 1.00 0.00 O ATOM 26 CG2 THR A 2 -5.134 24.427 -1.293 1.00 0.00 C ATOM 0 H THR A 2 -4.010 20.340 -0.718 1.00 0.00 H new ATOM 0 HA THR A 2 -6.138 22.220 -0.798 1.00 0.00 H new ATOM 0 HB THR A 2 -4.981 23.234 -3.077 1.00 0.00 H new ATOM 0 HG1 THR A 2 -2.853 23.892 -2.406 1.00 0.00 H new ATOM 0 HG21 THR A 2 -4.705 25.313 -1.760 1.00 0.00 H new ATOM 0 HG22 THR A 2 -6.222 24.485 -1.336 1.00 0.00 H new ATOM 0 HG23 THR A 2 -4.814 24.374 -0.252 1.00 0.00 H new ATOM 34 N PHE A 3 -6.335 19.874 -2.080 1.00 0.00 N ATOM 35 CA PHE A 3 -6.763 18.860 -3.082 1.00 0.00 C ATOM 36 C PHE A 3 -8.124 18.287 -2.683 1.00 0.00 C ATOM 37 O PHE A 3 -8.536 18.380 -1.543 1.00 0.00 O ATOM 38 CB PHE A 3 -5.731 17.731 -3.139 1.00 0.00 C ATOM 39 CG PHE A 3 -5.152 17.644 -4.530 1.00 0.00 C ATOM 40 CD1 PHE A 3 -4.119 18.509 -4.912 1.00 0.00 C ATOM 41 CD2 PHE A 3 -5.648 16.701 -5.438 1.00 0.00 C ATOM 42 CE1 PHE A 3 -3.580 18.426 -6.202 1.00 0.00 C ATOM 43 CE2 PHE A 3 -5.109 16.619 -6.727 1.00 0.00 C ATOM 44 CZ PHE A 3 -4.076 17.482 -7.109 1.00 0.00 C ATOM 0 H PHE A 3 -6.596 19.668 -1.116 1.00 0.00 H new ATOM 0 HA PHE A 3 -6.842 19.331 -4.062 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -4.937 17.913 -2.415 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -6.198 16.784 -2.869 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -3.739 19.239 -4.213 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -6.447 16.037 -5.144 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -2.781 19.091 -6.497 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -5.490 15.890 -7.427 1.00 0.00 H new ATOM 0 HZ PHE A 3 -3.661 17.420 -8.104 1.00 0.00 H new ATOM 54 N ILE A 4 -8.827 17.696 -3.609 1.00 0.00 N ATOM 55 CA ILE A 4 -10.161 17.119 -3.279 1.00 0.00 C ATOM 56 C ILE A 4 -10.167 15.625 -3.598 1.00 0.00 C ATOM 57 O ILE A 4 -10.889 14.855 -2.996 1.00 0.00 O ATOM 58 CB ILE A 4 -11.236 17.819 -4.111 1.00 0.00 C ATOM 59 CG1 ILE A 4 -10.695 18.082 -5.518 1.00 0.00 C ATOM 60 CG2 ILE A 4 -11.606 19.147 -3.448 1.00 0.00 C ATOM 61 CD1 ILE A 4 -11.860 18.356 -6.469 1.00 0.00 C ATOM 0 H ILE A 4 -8.536 17.587 -4.580 1.00 0.00 H new ATOM 0 HA ILE A 4 -10.366 17.264 -2.218 1.00 0.00 H new ATOM 0 HB ILE A 4 -12.121 17.186 -4.174 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -10.015 18.934 -5.504 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -10.122 17.222 -5.866 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -12.372 19.648 -4.040 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -11.987 18.959 -2.444 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -10.722 19.782 -3.387 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -11.475 18.543 -7.471 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -12.523 17.491 -6.491 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -12.414 19.229 -6.124 1.00 0.00 H new ATOM 73 N THR A 5 -9.367 15.206 -4.539 1.00 0.00 N ATOM 74 CA THR A 5 -9.328 13.760 -4.893 1.00 0.00 C ATOM 75 C THR A 5 -7.928 13.208 -4.623 1.00 0.00 C ATOM 76 O THR A 5 -6.938 13.754 -5.070 1.00 0.00 O ATOM 77 CB THR A 5 -9.668 13.584 -6.375 1.00 0.00 C ATOM 78 OG1 THR A 5 -8.886 14.484 -7.149 1.00 0.00 O ATOM 79 CG2 THR A 5 -11.153 13.875 -6.598 1.00 0.00 C ATOM 0 H THR A 5 -8.739 15.802 -5.078 1.00 0.00 H new ATOM 0 HA THR A 5 -10.056 13.220 -4.288 1.00 0.00 H new ATOM 0 HB THR A 5 -9.451 12.560 -6.678 1.00 0.00 H new ATOM 0 HG1 THR A 5 -7.998 14.577 -6.744 1.00 0.00 H new ATOM 0 HG21 THR A 5 -11.394 13.749 -7.654 1.00 0.00 H new ATOM 0 HG22 THR A 5 -11.752 13.185 -6.004 1.00 0.00 H new ATOM 0 HG23 THR A 5 -11.373 14.899 -6.295 1.00 0.00 H new ATOM 87 N LYS A 6 -7.834 12.132 -3.893 1.00 0.00 N ATOM 88 CA LYS A 6 -6.496 11.551 -3.595 1.00 0.00 C ATOM 89 C LYS A 6 -6.540 10.033 -3.793 1.00 0.00 C ATOM 90 O LYS A 6 -7.581 9.415 -3.706 1.00 0.00 O ATOM 91 CB LYS A 6 -6.114 11.863 -2.148 1.00 0.00 C ATOM 92 CG LYS A 6 -7.127 11.220 -1.200 1.00 0.00 C ATOM 93 CD LYS A 6 -6.924 11.767 0.216 1.00 0.00 C ATOM 94 CE LYS A 6 -8.269 12.219 0.787 1.00 0.00 C ATOM 95 NZ LYS A 6 -8.149 13.615 1.299 1.00 0.00 N ATOM 0 H LYS A 6 -8.625 11.630 -3.490 1.00 0.00 H new ATOM 0 HA LYS A 6 -5.756 11.984 -4.269 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -5.113 11.487 -1.936 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -6.089 12.942 -1.992 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.142 11.429 -1.539 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -7.007 10.137 -1.203 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -6.486 11.000 0.854 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -6.225 12.603 0.197 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -9.039 12.168 0.017 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -8.578 11.551 1.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -9.064 13.922 1.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -7.426 13.650 2.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -7.873 14.248 0.521 1.00 0.00 H new ATOM 109 N THR A 7 -5.413 9.433 -4.060 1.00 0.00 N ATOM 110 CA THR A 7 -5.382 7.958 -4.264 1.00 0.00 C ATOM 111 C THR A 7 -5.889 7.262 -2.990 1.00 0.00 C ATOM 112 O THR A 7 -6.110 7.906 -1.983 1.00 0.00 O ATOM 113 CB THR A 7 -3.935 7.537 -4.610 1.00 0.00 C ATOM 114 OG1 THR A 7 -3.954 6.669 -5.734 1.00 0.00 O ATOM 115 CG2 THR A 7 -3.257 6.830 -3.430 1.00 0.00 C ATOM 0 H THR A 7 -4.511 9.901 -4.146 1.00 0.00 H new ATOM 0 HA THR A 7 -6.032 7.663 -5.088 1.00 0.00 H new ATOM 0 HB THR A 7 -3.364 8.437 -4.837 1.00 0.00 H new ATOM 0 HG1 THR A 7 -3.237 6.006 -5.648 1.00 0.00 H new ATOM 0 HG21 THR A 7 -2.242 6.548 -3.709 1.00 0.00 H new ATOM 0 HG22 THR A 7 -3.224 7.503 -2.573 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.822 5.936 -3.168 1.00 0.00 H new ATOM 123 N PRO A 8 -6.062 5.968 -3.075 1.00 0.00 N ATOM 124 CA PRO A 8 -6.548 5.157 -1.945 1.00 0.00 C ATOM 125 C PRO A 8 -5.418 4.915 -0.936 1.00 0.00 C ATOM 126 O PRO A 8 -4.287 5.283 -1.175 1.00 0.00 O ATOM 127 CB PRO A 8 -6.995 3.851 -2.610 1.00 0.00 C ATOM 128 CG PRO A 8 -6.242 3.764 -3.958 1.00 0.00 C ATOM 129 CD PRO A 8 -5.786 5.195 -4.302 1.00 0.00 C ATOM 0 HA PRO A 8 -7.351 5.633 -1.382 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -6.760 2.994 -1.979 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.074 3.845 -2.767 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -5.387 3.093 -3.881 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.890 3.366 -4.739 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -4.728 5.224 -4.561 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -6.335 5.593 -5.156 1.00 0.00 H new ATOM 137 N PRO A 9 -5.766 4.306 0.171 1.00 0.00 N ATOM 138 CA PRO A 9 -4.803 4.005 1.247 1.00 0.00 C ATOM 139 C PRO A 9 -3.899 2.830 0.862 1.00 0.00 C ATOM 140 O PRO A 9 -4.312 1.907 0.188 1.00 0.00 O ATOM 141 CB PRO A 9 -5.696 3.650 2.440 1.00 0.00 C ATOM 142 CG PRO A 9 -7.060 3.226 1.851 1.00 0.00 C ATOM 143 CD PRO A 9 -7.146 3.856 0.448 1.00 0.00 C ATOM 0 HA PRO A 9 -4.129 4.835 1.458 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -5.258 2.842 3.027 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -5.810 4.504 3.108 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -7.137 2.140 1.794 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -7.879 3.571 2.482 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -7.486 3.133 -0.294 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -7.849 4.689 0.427 1.00 0.00 H new ATOM 151 N ALA A 10 -2.663 2.866 1.284 1.00 0.00 N ATOM 152 CA ALA A 10 -1.719 1.763 0.949 1.00 0.00 C ATOM 153 C ALA A 10 -2.424 0.413 1.084 1.00 0.00 C ATOM 154 O ALA A 10 -2.366 -0.418 0.200 1.00 0.00 O ATOM 155 CB ALA A 10 -0.526 1.806 1.906 1.00 0.00 C ATOM 0 H ALA A 10 -2.266 3.616 1.849 1.00 0.00 H new ATOM 0 HA ALA A 10 -1.375 1.888 -0.078 1.00 0.00 H new ATOM 0 HB1 ALA A 10 0.165 0.999 1.662 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.015 2.764 1.808 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -0.877 1.685 2.931 1.00 0.00 H new ATOM 161 N ALA A 11 -3.084 0.181 2.184 1.00 0.00 N ATOM 162 CA ALA A 11 -3.780 -1.121 2.366 1.00 0.00 C ATOM 163 C ALA A 11 -4.689 -1.383 1.164 1.00 0.00 C ATOM 164 O ALA A 11 -4.523 -2.348 0.448 1.00 0.00 O ATOM 165 CB ALA A 11 -4.614 -1.087 3.647 1.00 0.00 C ATOM 0 H ALA A 11 -3.171 0.835 2.962 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.042 -1.919 2.443 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.122 -2.043 3.776 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -3.962 -0.904 4.501 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -5.354 -0.289 3.578 1.00 0.00 H new ATOM 171 N VAL A 12 -5.646 -0.525 0.932 1.00 0.00 N ATOM 172 CA VAL A 12 -6.554 -0.728 -0.232 1.00 0.00 C ATOM 173 C VAL A 12 -5.740 -0.617 -1.521 1.00 0.00 C ATOM 174 O VAL A 12 -5.892 -1.402 -2.435 1.00 0.00 O ATOM 175 CB VAL A 12 -7.650 0.341 -0.223 1.00 0.00 C ATOM 176 CG1 VAL A 12 -8.375 0.339 -1.571 1.00 0.00 C ATOM 177 CG2 VAL A 12 -8.651 0.037 0.892 1.00 0.00 C ATOM 0 H VAL A 12 -5.837 0.303 1.495 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.017 -1.713 -0.171 1.00 0.00 H new ATOM 0 HB VAL A 12 -7.201 1.319 -0.052 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.156 1.100 -1.565 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.663 0.555 -2.367 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.824 -0.640 -1.741 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.431 0.798 0.898 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.100 -0.941 0.721 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.136 0.037 1.853 1.00 0.00 H new ATOM 187 N LEU A 13 -4.866 0.350 -1.597 1.00 0.00 N ATOM 188 CA LEU A 13 -4.032 0.511 -2.819 1.00 0.00 C ATOM 189 C LEU A 13 -3.292 -0.792 -3.088 1.00 0.00 C ATOM 190 O LEU A 13 -3.156 -1.231 -4.214 1.00 0.00 O ATOM 191 CB LEU A 13 -3.014 1.627 -2.594 1.00 0.00 C ATOM 192 CG LEU A 13 -2.611 2.241 -3.934 1.00 0.00 C ATOM 193 CD1 LEU A 13 -1.973 3.611 -3.690 1.00 0.00 C ATOM 194 CD2 LEU A 13 -1.598 1.328 -4.628 1.00 0.00 C ATOM 0 H LEU A 13 -4.694 1.037 -0.862 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.667 0.761 -3.669 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.439 2.394 -1.946 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.134 1.232 -2.086 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.493 2.353 -4.565 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.684 4.053 -4.644 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.690 4.263 -3.191 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.090 3.494 -3.062 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.310 1.765 -5.584 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.715 1.219 -3.998 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.046 0.349 -4.797 1.00 0.00 H new ATOM 206 N LEU A 14 -2.815 -1.411 -2.052 1.00 0.00 N ATOM 207 CA LEU A 14 -2.081 -2.691 -2.216 1.00 0.00 C ATOM 208 C LEU A 14 -3.057 -3.754 -2.724 1.00 0.00 C ATOM 209 O LEU A 14 -2.780 -4.462 -3.670 1.00 0.00 O ATOM 210 CB LEU A 14 -1.498 -3.111 -0.865 1.00 0.00 C ATOM 211 CG LEU A 14 -0.035 -2.661 -0.760 1.00 0.00 C ATOM 212 CD1 LEU A 14 0.130 -1.257 -1.355 1.00 0.00 C ATOM 213 CD2 LEU A 14 0.381 -2.632 0.712 1.00 0.00 C ATOM 0 H LEU A 14 -2.902 -1.083 -1.090 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.267 -2.575 -2.932 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.081 -2.671 -0.056 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.563 -4.193 -0.753 1.00 0.00 H new ATOM 0 HG LEU A 14 0.592 -3.361 -1.312 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.172 -0.948 -1.275 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.165 -1.269 -2.404 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.500 -0.554 -0.809 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.420 -2.313 0.790 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.255 -1.934 1.256 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.275 -3.629 1.140 1.00 0.00 H new ATOM 225 N LYS A 15 -4.210 -3.856 -2.118 1.00 0.00 N ATOM 226 CA LYS A 15 -5.207 -4.855 -2.588 1.00 0.00 C ATOM 227 C LYS A 15 -5.516 -4.570 -4.058 1.00 0.00 C ATOM 228 O LYS A 15 -5.702 -5.462 -4.856 1.00 0.00 O ATOM 229 CB LYS A 15 -6.485 -4.738 -1.756 1.00 0.00 C ATOM 230 CG LYS A 15 -6.982 -6.136 -1.380 1.00 0.00 C ATOM 231 CD LYS A 15 -8.334 -6.397 -2.047 1.00 0.00 C ATOM 232 CE LYS A 15 -8.815 -7.806 -1.696 1.00 0.00 C ATOM 233 NZ LYS A 15 -9.476 -7.786 -0.360 1.00 0.00 N ATOM 0 H LYS A 15 -4.502 -3.291 -1.320 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.810 -5.864 -2.478 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -6.293 -4.155 -0.855 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.252 -4.208 -2.321 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.258 -6.887 -1.696 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -7.077 -6.220 -0.297 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -9.064 -5.659 -1.714 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.244 -6.291 -3.128 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.513 -8.163 -2.454 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -7.973 -8.498 -1.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.803 -8.744 -0.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.797 -7.462 0.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -10.289 -7.138 -0.385 1.00 0.00 H new ATOM 247 N LYS A 16 -5.565 -3.324 -4.428 1.00 0.00 N ATOM 248 CA LYS A 16 -5.845 -2.996 -5.847 1.00 0.00 C ATOM 249 C LYS A 16 -4.626 -3.362 -6.683 1.00 0.00 C ATOM 250 O LYS A 16 -4.689 -4.172 -7.588 1.00 0.00 O ATOM 251 CB LYS A 16 -6.139 -1.501 -5.987 1.00 0.00 C ATOM 252 CG LYS A 16 -6.413 -1.170 -7.456 1.00 0.00 C ATOM 253 CD LYS A 16 -7.915 -0.964 -7.665 1.00 0.00 C ATOM 254 CE LYS A 16 -8.168 -0.420 -9.072 1.00 0.00 C ATOM 255 NZ LYS A 16 -8.398 -1.556 -10.009 1.00 0.00 N ATOM 0 H LYS A 16 -5.424 -2.523 -3.812 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.713 -3.558 -6.192 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -7.000 -1.230 -5.375 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.293 -0.918 -5.623 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.869 -0.271 -7.744 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.054 -1.978 -8.094 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -8.444 -1.907 -7.528 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.304 -0.270 -6.920 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -9.033 0.243 -9.067 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -7.315 0.172 -9.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -8.570 -1.187 -10.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -7.560 -2.172 -10.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -9.225 -2.103 -9.695 1.00 0.00 H new ATOM 269 N ALA A 17 -3.520 -2.764 -6.379 1.00 0.00 N ATOM 270 CA ALA A 17 -2.270 -3.054 -7.138 1.00 0.00 C ATOM 271 C ALA A 17 -1.828 -4.503 -6.905 1.00 0.00 C ATOM 272 O ALA A 17 -1.845 -5.320 -7.806 1.00 0.00 O ATOM 273 CB ALA A 17 -1.163 -2.107 -6.672 1.00 0.00 C ATOM 0 H ALA A 17 -3.420 -2.078 -5.631 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.461 -2.909 -8.201 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.248 -2.317 -7.225 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.467 -1.076 -6.851 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.984 -2.253 -5.607 1.00 0.00 H new ATOM 279 N ALA A 18 -1.410 -4.822 -5.709 1.00 0.00 N ATOM 280 CA ALA A 18 -0.940 -6.209 -5.421 1.00 0.00 C ATOM 281 C ALA A 18 -2.128 -7.159 -5.244 1.00 0.00 C ATOM 282 O ALA A 18 -2.061 -8.316 -5.609 1.00 0.00 O ATOM 283 CB ALA A 18 -0.106 -6.202 -4.138 1.00 0.00 C ATOM 0 H ALA A 18 -1.374 -4.180 -4.917 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.338 -6.555 -6.261 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.240 -7.213 -3.923 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.754 -5.544 -4.266 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.716 -5.844 -3.309 1.00 0.00 H new ATOM 289 N GLY A 19 -3.207 -6.697 -4.678 1.00 0.00 N ATOM 290 CA GLY A 19 -4.377 -7.599 -4.476 1.00 0.00 C ATOM 291 C GLY A 19 -3.911 -8.900 -3.826 1.00 0.00 C ATOM 292 O GLY A 19 -4.543 -9.929 -3.953 1.00 0.00 O ATOM 0 H GLY A 19 -3.331 -5.740 -4.348 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -5.121 -7.111 -3.846 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.857 -7.809 -5.432 1.00 0.00 H new ATOM 296 N ILE A 20 -2.813 -8.855 -3.120 1.00 0.00 N ATOM 297 CA ILE A 20 -2.295 -10.080 -2.442 1.00 0.00 C ATOM 298 C ILE A 20 -2.433 -11.297 -3.364 1.00 0.00 C ATOM 299 O ILE A 20 -2.694 -11.174 -4.543 1.00 0.00 O ATOM 300 CB ILE A 20 -3.075 -10.318 -1.144 1.00 0.00 C ATOM 301 CG1 ILE A 20 -4.572 -10.439 -1.445 1.00 0.00 C ATOM 302 CG2 ILE A 20 -2.849 -9.144 -0.190 1.00 0.00 C ATOM 303 CD1 ILE A 20 -5.323 -10.781 -0.158 1.00 0.00 C ATOM 0 H ILE A 20 -2.248 -8.017 -2.983 1.00 0.00 H new ATOM 0 HA ILE A 20 -1.240 -9.937 -2.209 1.00 0.00 H new ATOM 0 HB ILE A 20 -2.724 -11.242 -0.685 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -4.947 -9.504 -1.860 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -4.742 -11.212 -2.195 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.404 -9.313 0.733 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -1.786 -9.058 0.036 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -3.196 -8.223 -0.658 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -6.389 -10.867 -0.371 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -4.954 -11.727 0.238 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -5.163 -9.993 0.577 1.00 0.00 H new ATOM 315 N GLU A 21 -2.242 -12.470 -2.828 1.00 0.00 N ATOM 316 CA GLU A 21 -2.344 -13.707 -3.658 1.00 0.00 C ATOM 317 C GLU A 21 -3.800 -14.176 -3.709 1.00 0.00 C ATOM 318 O GLU A 21 -4.320 -14.519 -4.752 1.00 0.00 O ATOM 319 CB GLU A 21 -1.489 -14.804 -3.019 1.00 0.00 C ATOM 320 CG GLU A 21 -2.034 -15.125 -1.621 1.00 0.00 C ATOM 321 CD GLU A 21 -1.068 -16.070 -0.905 1.00 0.00 C ATOM 322 OE1 GLU A 21 -0.637 -17.026 -1.524 1.00 0.00 O ATOM 323 OE2 GLU A 21 -0.775 -15.818 0.253 1.00 0.00 O ATOM 0 H GLU A 21 -2.018 -12.628 -1.845 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.995 -13.498 -4.669 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.502 -15.699 -3.641 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.451 -14.478 -2.951 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.155 -14.207 -1.046 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.019 -15.585 -1.699 1.00 0.00 H new ATOM 330 N SER A 22 -4.450 -14.197 -2.584 1.00 0.00 N ATOM 331 CA SER A 22 -5.867 -14.648 -2.529 1.00 0.00 C ATOM 332 C SER A 22 -6.286 -14.687 -1.071 1.00 0.00 C ATOM 333 O SER A 22 -6.987 -15.574 -0.628 1.00 0.00 O ATOM 334 CB SER A 22 -5.996 -16.048 -3.130 1.00 0.00 C ATOM 335 OG SER A 22 -6.666 -15.966 -4.379 1.00 0.00 O ATOM 0 H SER A 22 -4.055 -13.917 -1.686 1.00 0.00 H new ATOM 0 HA SER A 22 -6.500 -13.966 -3.096 1.00 0.00 H new ATOM 0 HB2 SER A 22 -5.009 -16.491 -3.263 1.00 0.00 H new ATOM 0 HB3 SER A 22 -6.548 -16.698 -2.451 1.00 0.00 H new ATOM 0 HG SER A 22 -6.129 -15.436 -5.004 1.00 0.00 H new ATOM 341 N GLY A 23 -5.836 -13.730 -0.320 1.00 0.00 N ATOM 342 CA GLY A 23 -6.169 -13.696 1.124 1.00 0.00 C ATOM 343 C GLY A 23 -5.436 -14.836 1.825 1.00 0.00 C ATOM 344 O GLY A 23 -5.935 -15.428 2.761 1.00 0.00 O ATOM 0 H GLY A 23 -5.247 -12.964 -0.646 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.878 -12.738 1.556 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.245 -13.796 1.266 1.00 0.00 H new ATOM 348 N SER A 24 -4.253 -15.152 1.369 1.00 0.00 N ATOM 349 CA SER A 24 -3.479 -16.258 2.000 1.00 0.00 C ATOM 350 C SER A 24 -4.034 -17.597 1.538 1.00 0.00 C ATOM 351 O SER A 24 -3.367 -18.369 0.879 1.00 0.00 O ATOM 352 CB SER A 24 -3.606 -16.171 3.520 1.00 0.00 C ATOM 353 OG SER A 24 -3.904 -14.832 3.892 1.00 0.00 O ATOM 0 H SER A 24 -3.790 -14.691 0.586 1.00 0.00 H new ATOM 0 HA SER A 24 -2.432 -16.170 1.710 1.00 0.00 H new ATOM 0 HB2 SER A 24 -4.392 -16.841 3.869 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.678 -16.494 3.993 1.00 0.00 H new ATOM 0 HG SER A 24 -4.873 -14.730 3.999 1.00 0.00 H new ATOM 359 N GLY A 25 -5.248 -17.888 1.905 1.00 0.00 N ATOM 360 CA GLY A 25 -5.851 -19.191 1.520 1.00 0.00 C ATOM 361 C GLY A 25 -5.300 -20.288 2.436 1.00 0.00 C ATOM 362 O GLY A 25 -5.746 -21.417 2.405 1.00 0.00 O ATOM 0 H GLY A 25 -5.851 -17.278 2.457 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.937 -19.142 1.603 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.621 -19.419 0.479 1.00 0.00 H new ATOM 366 N GLU A 26 -4.333 -19.956 3.256 1.00 0.00 N ATOM 367 CA GLU A 26 -3.738 -20.960 4.183 1.00 0.00 C ATOM 368 C GLU A 26 -2.515 -20.329 4.856 1.00 0.00 C ATOM 369 O GLU A 26 -1.399 -20.751 4.633 1.00 0.00 O ATOM 370 CB GLU A 26 -3.304 -22.200 3.396 1.00 0.00 C ATOM 371 CG GLU A 26 -2.651 -23.205 4.346 1.00 0.00 C ATOM 372 CD GLU A 26 -1.251 -23.556 3.839 1.00 0.00 C ATOM 373 OE1 GLU A 26 -1.160 -24.176 2.791 1.00 0.00 O ATOM 374 OE2 GLU A 26 -0.295 -23.200 4.507 1.00 0.00 O ATOM 0 H GLU A 26 -3.929 -19.022 3.321 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.472 -21.257 4.932 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.166 -22.653 2.907 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.603 -21.918 2.610 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.590 -22.785 5.350 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.261 -24.106 4.414 1.00 0.00 H new ATOM 381 N PRO A 27 -2.768 -19.322 5.653 1.00 0.00 N ATOM 382 CA PRO A 27 -1.708 -18.588 6.366 1.00 0.00 C ATOM 383 C PRO A 27 -1.197 -19.392 7.563 1.00 0.00 C ATOM 384 O PRO A 27 -0.286 -20.185 7.443 1.00 0.00 O ATOM 385 CB PRO A 27 -2.404 -17.301 6.821 1.00 0.00 C ATOM 386 CG PRO A 27 -3.919 -17.610 6.845 1.00 0.00 C ATOM 387 CD PRO A 27 -4.133 -18.824 5.920 1.00 0.00 C ATOM 0 HA PRO A 27 -0.833 -18.396 5.745 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -2.054 -16.998 7.808 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -2.186 -16.479 6.139 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -4.254 -17.831 7.859 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -4.495 -16.752 6.499 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -4.748 -19.586 6.399 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -4.640 -18.538 4.998 1.00 0.00 H new ATOM 395 N ASN A 28 -1.770 -19.190 8.718 1.00 0.00 N ATOM 396 CA ASN A 28 -1.306 -19.938 9.919 1.00 0.00 C ATOM 397 C ASN A 28 0.061 -19.388 10.352 1.00 0.00 C ATOM 398 O ASN A 28 0.715 -19.933 11.218 1.00 0.00 O ATOM 399 CB ASN A 28 -1.232 -21.446 9.584 1.00 0.00 C ATOM 400 CG ASN A 28 0.220 -21.954 9.570 1.00 0.00 C ATOM 401 OD1 ASN A 28 0.556 -22.943 10.350 1.00 0.00 O flip ATOM 402 ND2 ASN A 28 1.051 -21.447 8.846 1.00 0.00 N flip ATOM 0 H ASN A 28 -2.539 -18.540 8.881 1.00 0.00 H new ATOM 0 HA ASN A 28 -2.005 -19.810 10.746 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -1.808 -22.011 10.317 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -1.690 -21.626 8.611 1.00 0.00 H new ATOM 0 HD21 ASN A 28 0.791 -20.673 8.235 1.00 0.00 H new ATOM 0 HD22 ASN A 28 2.010 -21.795 8.849 1.00 0.00 H new ATOM 409 N ARG A 29 0.493 -18.310 9.752 1.00 0.00 N ATOM 410 CA ARG A 29 1.811 -17.725 10.126 1.00 0.00 C ATOM 411 C ARG A 29 1.869 -16.260 9.684 1.00 0.00 C ATOM 412 O ARG A 29 2.930 -15.701 9.491 1.00 0.00 O ATOM 413 CB ARG A 29 2.927 -18.510 9.435 1.00 0.00 C ATOM 414 CG ARG A 29 3.943 -18.973 10.480 1.00 0.00 C ATOM 415 CD ARG A 29 5.359 -18.716 9.964 1.00 0.00 C ATOM 416 NE ARG A 29 5.950 -17.563 10.697 1.00 0.00 N ATOM 417 CZ ARG A 29 5.911 -17.533 12.000 1.00 0.00 C ATOM 418 NH1 ARG A 29 6.735 -18.273 12.694 1.00 0.00 N ATOM 419 NH2 ARG A 29 5.047 -16.768 12.610 1.00 0.00 N ATOM 0 H ARG A 29 -0.011 -17.811 9.019 1.00 0.00 H new ATOM 0 HA ARG A 29 1.939 -17.780 11.207 1.00 0.00 H new ATOM 0 HB2 ARG A 29 2.511 -19.370 8.910 1.00 0.00 H new ATOM 0 HB3 ARG A 29 3.416 -17.886 8.687 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.784 -18.441 11.418 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.808 -20.034 10.689 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.975 -19.604 10.103 1.00 0.00 H new ATOM 0 HD3 ARG A 29 5.336 -18.508 8.894 1.00 0.00 H new ATOM 0 HE ARG A 29 6.385 -16.798 10.181 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.407 -18.873 12.216 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.706 -18.251 13.713 1.00 0.00 H new ATOM 0 HH21 ARG A 29 4.402 -16.193 12.067 1.00 0.00 H new ATOM 0 HH22 ARG A 29 5.017 -16.745 13.629 1.00 0.00 H new ATOM 433 N ASN A 30 0.736 -15.632 9.526 1.00 0.00 N ATOM 434 CA ASN A 30 0.724 -14.203 9.100 1.00 0.00 C ATOM 435 C ASN A 30 1.517 -14.043 7.799 1.00 0.00 C ATOM 436 O ASN A 30 2.086 -14.986 7.288 1.00 0.00 O ATOM 437 CB ASN A 30 1.367 -13.342 10.193 1.00 0.00 C ATOM 438 CG ASN A 30 0.292 -12.495 10.875 1.00 0.00 C ATOM 439 OD1 ASN A 30 -0.660 -13.021 11.418 1.00 0.00 O ATOM 440 ND2 ASN A 30 0.402 -11.194 10.873 1.00 0.00 N ATOM 0 H ASN A 30 -0.184 -16.047 9.674 1.00 0.00 H new ATOM 0 HA ASN A 30 -0.306 -13.885 8.937 1.00 0.00 H new ATOM 0 HB2 ASN A 30 1.863 -13.978 10.926 1.00 0.00 H new ATOM 0 HB3 ASN A 30 2.132 -12.698 9.760 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -0.310 -10.621 11.326 1.00 0.00 H new ATOM 0 HD22 ASN A 30 1.200 -10.750 10.418 1.00 0.00 H new ATOM 447 N LYS A 31 1.559 -12.854 7.264 1.00 0.00 N ATOM 448 CA LYS A 31 2.315 -12.629 5.998 1.00 0.00 C ATOM 449 C LYS A 31 1.747 -13.526 4.897 1.00 0.00 C ATOM 450 O LYS A 31 2.046 -14.701 4.822 1.00 0.00 O ATOM 451 CB LYS A 31 3.792 -12.965 6.224 1.00 0.00 C ATOM 452 CG LYS A 31 4.399 -11.954 7.198 1.00 0.00 C ATOM 453 CD LYS A 31 5.925 -11.993 7.094 1.00 0.00 C ATOM 454 CE LYS A 31 6.452 -13.255 7.779 1.00 0.00 C ATOM 455 NZ LYS A 31 7.098 -14.136 6.767 1.00 0.00 N ATOM 0 H LYS A 31 1.102 -12.027 7.649 1.00 0.00 H new ATOM 0 HA LYS A 31 2.221 -11.586 5.697 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.890 -13.975 6.623 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.331 -12.943 5.277 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.035 -10.952 6.972 1.00 0.00 H new ATOM 0 HG3 LYS A 31 4.088 -12.184 8.217 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.229 -11.981 6.047 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.355 -11.107 7.561 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.169 -12.988 8.555 1.00 0.00 H new ATOM 0 HE3 LYS A 31 5.635 -13.784 8.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.457 -14.994 7.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.401 -14.401 6.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.888 -13.629 6.319 1.00 0.00 H new ATOM 469 N VAL A 32 0.927 -12.981 4.041 1.00 0.00 N ATOM 470 CA VAL A 32 0.339 -13.806 2.949 1.00 0.00 C ATOM 471 C VAL A 32 0.575 -13.130 1.596 1.00 0.00 C ATOM 472 O VAL A 32 0.254 -13.668 0.556 1.00 0.00 O ATOM 473 CB VAL A 32 -1.163 -13.971 3.192 1.00 0.00 C ATOM 474 CG1 VAL A 32 -1.406 -14.330 4.661 1.00 0.00 C ATOM 475 CG2 VAL A 32 -1.880 -12.659 2.864 1.00 0.00 C ATOM 0 H VAL A 32 0.639 -12.002 4.050 1.00 0.00 H new ATOM 0 HA VAL A 32 0.816 -14.786 2.940 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.549 -14.766 2.554 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.476 -14.448 4.835 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.895 -15.264 4.897 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -1.020 -13.535 5.299 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.950 -12.776 3.037 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.494 -11.864 3.502 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.707 -12.401 1.819 1.00 0.00 H new ATOM 485 N ALA A 33 1.143 -11.959 1.604 1.00 0.00 N ATOM 486 CA ALA A 33 1.415 -11.245 0.323 1.00 0.00 C ATOM 487 C ALA A 33 2.755 -10.517 0.436 1.00 0.00 C ATOM 488 O ALA A 33 2.861 -9.499 1.086 1.00 0.00 O ATOM 489 CB ALA A 33 0.301 -10.229 0.052 1.00 0.00 C ATOM 0 H ALA A 33 1.433 -11.461 2.446 1.00 0.00 H new ATOM 0 HA ALA A 33 1.451 -11.962 -0.497 1.00 0.00 H new ATOM 0 HB1 ALA A 33 0.503 -9.709 -0.885 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -0.655 -10.748 -0.020 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.262 -9.506 0.867 1.00 0.00 H new ATOM 495 N THR A 34 3.784 -11.037 -0.176 1.00 0.00 N ATOM 496 CA THR A 34 5.115 -10.371 -0.077 1.00 0.00 C ATOM 497 C THR A 34 5.532 -9.802 -1.434 1.00 0.00 C ATOM 498 O THR A 34 5.994 -10.515 -2.303 1.00 0.00 O ATOM 499 CB THR A 34 6.165 -11.388 0.373 1.00 0.00 C ATOM 500 OG1 THR A 34 5.599 -12.252 1.348 1.00 0.00 O ATOM 501 CG2 THR A 34 7.369 -10.659 0.969 1.00 0.00 C ATOM 0 H THR A 34 3.762 -11.889 -0.737 1.00 0.00 H new ATOM 0 HA THR A 34 5.042 -9.559 0.647 1.00 0.00 H new ATOM 0 HB THR A 34 6.492 -11.974 -0.486 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.271 -12.905 1.636 1.00 0.00 H new ATOM 0 HG21 THR A 34 8.114 -11.388 1.288 1.00 0.00 H new ATOM 0 HG22 THR A 34 7.804 -10.000 0.217 1.00 0.00 H new ATOM 0 HG23 THR A 34 7.048 -10.068 1.827 1.00 0.00 H new ATOM 509 N ILE A 35 5.407 -8.518 -1.610 1.00 0.00 N ATOM 510 CA ILE A 35 5.834 -7.900 -2.898 1.00 0.00 C ATOM 511 C ILE A 35 7.211 -7.280 -2.692 1.00 0.00 C ATOM 512 O ILE A 35 7.614 -7.008 -1.584 1.00 0.00 O ATOM 513 CB ILE A 35 4.856 -6.804 -3.329 1.00 0.00 C ATOM 514 CG1 ILE A 35 4.240 -6.145 -2.093 1.00 0.00 C ATOM 515 CG2 ILE A 35 3.747 -7.415 -4.188 1.00 0.00 C ATOM 516 CD1 ILE A 35 3.409 -4.934 -2.523 1.00 0.00 C ATOM 0 H ILE A 35 5.029 -7.869 -0.920 1.00 0.00 H new ATOM 0 HA ILE A 35 5.858 -8.666 -3.674 1.00 0.00 H new ATOM 0 HB ILE A 35 5.392 -6.052 -3.908 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.613 -6.860 -1.561 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.025 -5.835 -1.403 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.052 -6.634 -4.494 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.185 -7.878 -5.072 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.213 -8.170 -3.610 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.969 -4.464 -1.643 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.050 -4.217 -3.036 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.615 -5.258 -3.196 1.00 0.00 H new ATOM 528 N LYS A 36 7.938 -7.046 -3.740 1.00 0.00 N ATOM 529 CA LYS A 36 9.281 -6.438 -3.565 1.00 0.00 C ATOM 530 C LYS A 36 9.137 -4.916 -3.495 1.00 0.00 C ATOM 531 O LYS A 36 8.062 -4.377 -3.656 1.00 0.00 O ATOM 532 CB LYS A 36 10.176 -6.822 -4.742 1.00 0.00 C ATOM 533 CG LYS A 36 10.938 -8.105 -4.406 1.00 0.00 C ATOM 534 CD LYS A 36 10.935 -9.037 -5.620 1.00 0.00 C ATOM 535 CE LYS A 36 10.801 -10.486 -5.149 1.00 0.00 C ATOM 536 NZ LYS A 36 9.360 -10.869 -5.132 1.00 0.00 N ATOM 0 H LYS A 36 7.666 -7.246 -4.702 1.00 0.00 H new ATOM 0 HA LYS A 36 9.733 -6.803 -2.643 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.573 -6.969 -5.638 1.00 0.00 H new ATOM 0 HB3 LYS A 36 10.877 -6.016 -4.958 1.00 0.00 H new ATOM 0 HG2 LYS A 36 11.963 -7.867 -4.120 1.00 0.00 H new ATOM 0 HG3 LYS A 36 10.476 -8.601 -3.553 1.00 0.00 H new ATOM 0 HD2 LYS A 36 10.111 -8.782 -6.286 1.00 0.00 H new ATOM 0 HD3 LYS A 36 11.856 -8.912 -6.190 1.00 0.00 H new ATOM 0 HE2 LYS A 36 11.357 -11.149 -5.812 1.00 0.00 H new ATOM 0 HE3 LYS A 36 11.230 -10.598 -4.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.266 -11.854 -4.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 8.842 -10.243 -4.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 8.965 -10.777 -6.090 1.00 0.00 H new ATOM 550 N ARG A 37 10.212 -4.222 -3.250 1.00 0.00 N ATOM 551 CA ARG A 37 10.137 -2.738 -3.164 1.00 0.00 C ATOM 552 C ARG A 37 9.560 -2.179 -4.463 1.00 0.00 C ATOM 553 O ARG A 37 9.105 -1.056 -4.521 1.00 0.00 O ATOM 554 CB ARG A 37 11.541 -2.172 -2.937 1.00 0.00 C ATOM 555 CG ARG A 37 11.471 -0.650 -2.796 1.00 0.00 C ATOM 556 CD ARG A 37 12.657 -0.015 -3.525 1.00 0.00 C ATOM 557 NE ARG A 37 13.878 -0.837 -3.295 1.00 0.00 N ATOM 558 CZ ARG A 37 14.559 -0.700 -2.190 1.00 0.00 C ATOM 559 NH1 ARG A 37 14.064 -1.125 -1.062 1.00 0.00 N ATOM 560 NH2 ARG A 37 15.737 -0.137 -2.216 1.00 0.00 N ATOM 0 H ARG A 37 11.140 -4.619 -3.105 1.00 0.00 H new ATOM 0 HA ARG A 37 9.492 -2.452 -2.333 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.978 -2.610 -2.040 1.00 0.00 H new ATOM 0 HB3 ARG A 37 12.190 -2.439 -3.771 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.534 -0.278 -3.211 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.486 -0.371 -1.743 1.00 0.00 H new ATOM 0 HD2 ARG A 37 12.447 0.054 -4.592 1.00 0.00 H new ATOM 0 HD3 ARG A 37 12.817 1.002 -3.166 1.00 0.00 H new ATOM 0 HE ARG A 37 14.182 -1.507 -4.001 1.00 0.00 H new ATOM 0 HH11 ARG A 37 13.144 -1.565 -1.042 1.00 0.00 H new ATOM 0 HH12 ARG A 37 14.597 -1.018 -0.199 1.00 0.00 H new ATOM 0 HH21 ARG A 37 16.124 0.195 -3.099 1.00 0.00 H new ATOM 0 HH22 ARG A 37 16.270 -0.029 -1.353 1.00 0.00 H new ATOM 574 N ASP A 38 9.579 -2.958 -5.504 1.00 0.00 N ATOM 575 CA ASP A 38 9.038 -2.485 -6.811 1.00 0.00 C ATOM 576 C ASP A 38 7.562 -2.100 -6.665 1.00 0.00 C ATOM 577 O ASP A 38 7.101 -1.136 -7.248 1.00 0.00 O ATOM 578 CB ASP A 38 9.172 -3.601 -7.849 1.00 0.00 C ATOM 579 CG ASP A 38 10.246 -3.221 -8.872 1.00 0.00 C ATOM 580 OD1 ASP A 38 9.927 -2.483 -9.789 1.00 0.00 O ATOM 581 OD2 ASP A 38 11.368 -3.678 -8.722 1.00 0.00 O ATOM 0 H ASP A 38 9.948 -3.909 -5.509 1.00 0.00 H new ATOM 0 HA ASP A 38 9.602 -1.610 -7.133 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.437 -4.538 -7.359 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.218 -3.762 -8.351 1.00 0.00 H new ATOM 586 N LYS A 39 6.814 -2.844 -5.896 1.00 0.00 N ATOM 587 CA LYS A 39 5.369 -2.522 -5.731 1.00 0.00 C ATOM 588 C LYS A 39 5.210 -1.388 -4.729 1.00 0.00 C ATOM 589 O LYS A 39 4.548 -0.402 -4.991 1.00 0.00 O ATOM 590 CB LYS A 39 4.647 -3.744 -5.199 1.00 0.00 C ATOM 591 CG LYS A 39 4.089 -4.560 -6.366 1.00 0.00 C ATOM 592 CD LYS A 39 2.938 -3.795 -7.023 1.00 0.00 C ATOM 593 CE LYS A 39 2.520 -4.511 -8.309 1.00 0.00 C ATOM 594 NZ LYS A 39 1.252 -3.916 -8.818 1.00 0.00 N ATOM 0 H LYS A 39 7.141 -3.659 -5.376 1.00 0.00 H new ATOM 0 HA LYS A 39 4.952 -2.225 -6.693 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.331 -4.355 -4.609 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.838 -3.440 -4.535 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.875 -4.753 -7.097 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.739 -5.529 -6.011 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.092 -3.730 -6.338 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.246 -2.774 -7.246 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.304 -4.420 -9.060 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.384 -5.575 -8.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.167 -4.100 -9.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.444 -4.343 -8.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.258 -2.890 -8.650 1.00 0.00 H new ATOM 608 N VAL A 40 5.826 -1.502 -3.587 1.00 0.00 N ATOM 609 CA VAL A 40 5.716 -0.408 -2.595 1.00 0.00 C ATOM 610 C VAL A 40 6.410 0.811 -3.190 1.00 0.00 C ATOM 611 O VAL A 40 6.254 1.923 -2.729 1.00 0.00 O ATOM 612 CB VAL A 40 6.407 -0.813 -1.291 1.00 0.00 C ATOM 613 CG1 VAL A 40 6.170 0.266 -0.233 1.00 0.00 C ATOM 614 CG2 VAL A 40 5.831 -2.144 -0.800 1.00 0.00 C ATOM 0 H VAL A 40 6.395 -2.299 -3.302 1.00 0.00 H new ATOM 0 HA VAL A 40 4.671 -0.191 -2.373 1.00 0.00 H new ATOM 0 HB VAL A 40 7.477 -0.923 -1.466 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.662 -0.021 0.696 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.579 1.214 -0.582 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.100 0.375 -0.058 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.323 -2.433 0.129 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.761 -2.035 -0.625 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.999 -2.913 -1.554 1.00 0.00 H new ATOM 624 N ARG A 41 7.162 0.600 -4.242 1.00 0.00 N ATOM 625 CA ARG A 41 7.851 1.742 -4.902 1.00 0.00 C ATOM 626 C ARG A 41 6.806 2.577 -5.639 1.00 0.00 C ATOM 627 O ARG A 41 6.600 3.739 -5.349 1.00 0.00 O ATOM 628 CB ARG A 41 8.878 1.224 -5.913 1.00 0.00 C ATOM 629 CG ARG A 41 10.289 1.372 -5.338 1.00 0.00 C ATOM 630 CD ARG A 41 11.242 1.851 -6.436 1.00 0.00 C ATOM 631 NE ARG A 41 12.492 2.374 -5.815 1.00 0.00 N ATOM 632 CZ ARG A 41 12.530 3.595 -5.353 1.00 0.00 C ATOM 633 NH1 ARG A 41 12.155 4.592 -6.107 1.00 0.00 N ATOM 634 NH2 ARG A 41 12.945 3.816 -4.136 1.00 0.00 N ATOM 0 H ARG A 41 7.326 -0.312 -4.668 1.00 0.00 H new ATOM 0 HA ARG A 41 8.363 2.343 -4.150 1.00 0.00 H new ATOM 0 HB2 ARG A 41 8.678 0.178 -6.146 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.795 1.780 -6.847 1.00 0.00 H new ATOM 0 HG2 ARG A 41 10.283 2.083 -4.512 1.00 0.00 H new ATOM 0 HG3 ARG A 41 10.631 0.418 -4.936 1.00 0.00 H new ATOM 0 HD2 ARG A 41 11.476 1.030 -7.113 1.00 0.00 H new ATOM 0 HD3 ARG A 41 10.766 2.630 -7.032 1.00 0.00 H new ATOM 0 HE ARG A 41 13.318 1.778 -5.751 1.00 0.00 H new ATOM 0 HH11 ARG A 41 11.832 4.418 -7.059 1.00 0.00 H new ATOM 0 HH12 ARG A 41 12.185 5.545 -5.745 1.00 0.00 H new ATOM 0 HH21 ARG A 41 13.239 3.036 -3.548 1.00 0.00 H new ATOM 0 HH22 ARG A 41 12.976 4.769 -3.773 1.00 0.00 H new ATOM 648 N GLU A 42 6.135 1.976 -6.584 1.00 0.00 N ATOM 649 CA GLU A 42 5.087 2.716 -7.343 1.00 0.00 C ATOM 650 C GLU A 42 3.973 3.122 -6.381 1.00 0.00 C ATOM 651 O GLU A 42 3.626 4.279 -6.256 1.00 0.00 O ATOM 652 CB GLU A 42 4.514 1.810 -8.434 1.00 0.00 C ATOM 653 CG GLU A 42 5.150 2.166 -9.780 1.00 0.00 C ATOM 654 CD GLU A 42 4.476 3.417 -10.346 1.00 0.00 C ATOM 655 OE1 GLU A 42 3.258 3.430 -10.416 1.00 0.00 O ATOM 656 OE2 GLU A 42 5.189 4.343 -10.698 1.00 0.00 O ATOM 0 H GLU A 42 6.268 1.004 -6.863 1.00 0.00 H new ATOM 0 HA GLU A 42 5.520 3.604 -7.803 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.709 0.765 -8.193 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.432 1.928 -8.489 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.219 2.340 -9.655 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.042 1.335 -10.477 1.00 0.00 H new ATOM 663 N ILE A 43 3.419 2.163 -5.698 1.00 0.00 N ATOM 664 CA ILE A 43 2.326 2.447 -4.732 1.00 0.00 C ATOM 665 C ILE A 43 2.655 3.714 -3.937 1.00 0.00 C ATOM 666 O ILE A 43 1.899 4.665 -3.928 1.00 0.00 O ATOM 667 CB ILE A 43 2.199 1.248 -3.786 1.00 0.00 C ATOM 668 CG1 ILE A 43 1.399 0.141 -4.476 1.00 0.00 C ATOM 669 CG2 ILE A 43 1.480 1.658 -2.496 1.00 0.00 C ATOM 670 CD1 ILE A 43 2.091 -1.205 -4.250 1.00 0.00 C ATOM 0 H ILE A 43 3.681 1.180 -5.769 1.00 0.00 H new ATOM 0 HA ILE A 43 1.385 2.606 -5.259 1.00 0.00 H new ATOM 0 HB ILE A 43 3.198 0.889 -3.537 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.384 0.111 -4.081 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.319 0.346 -5.544 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.398 0.795 -1.835 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.047 2.444 -1.998 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.483 2.027 -2.737 1.00 0.00 H new ATOM 0 HD11 ILE A 43 1.522 -1.994 -4.741 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.098 -1.171 -4.666 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.147 -1.410 -3.181 1.00 0.00 H new ATOM 682 N ALA A 44 3.772 3.737 -3.263 1.00 0.00 N ATOM 683 CA ALA A 44 4.133 4.943 -2.469 1.00 0.00 C ATOM 684 C ALA A 44 4.222 6.153 -3.399 1.00 0.00 C ATOM 685 O ALA A 44 3.701 7.212 -3.108 1.00 0.00 O ATOM 686 CB ALA A 44 5.485 4.720 -1.788 1.00 0.00 C ATOM 0 H ALA A 44 4.448 2.974 -3.228 1.00 0.00 H new ATOM 0 HA ALA A 44 3.371 5.122 -1.710 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.750 5.603 -1.206 1.00 0.00 H new ATOM 0 HB2 ALA A 44 5.421 3.856 -1.127 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.249 4.542 -2.545 1.00 0.00 H new ATOM 692 N GLU A 45 4.873 6.006 -4.518 1.00 0.00 N ATOM 693 CA GLU A 45 4.986 7.149 -5.464 1.00 0.00 C ATOM 694 C GLU A 45 3.591 7.579 -5.915 1.00 0.00 C ATOM 695 O GLU A 45 3.324 8.745 -6.127 1.00 0.00 O ATOM 696 CB GLU A 45 5.810 6.724 -6.683 1.00 0.00 C ATOM 697 CG GLU A 45 5.879 7.879 -7.684 1.00 0.00 C ATOM 698 CD GLU A 45 5.968 7.320 -9.105 1.00 0.00 C ATOM 699 OE1 GLU A 45 5.140 6.490 -9.448 1.00 0.00 O ATOM 700 OE2 GLU A 45 6.861 7.731 -9.829 1.00 0.00 O ATOM 0 H GLU A 45 5.331 5.145 -4.818 1.00 0.00 H new ATOM 0 HA GLU A 45 5.479 7.984 -4.966 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.815 6.437 -6.373 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.359 5.849 -7.152 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.997 8.512 -7.586 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.746 8.505 -7.473 1.00 0.00 H new ATOM 707 N LEU A 46 2.702 6.641 -6.068 1.00 0.00 N ATOM 708 CA LEU A 46 1.319 6.980 -6.510 1.00 0.00 C ATOM 709 C LEU A 46 0.606 7.797 -5.427 1.00 0.00 C ATOM 710 O LEU A 46 0.053 8.844 -5.695 1.00 0.00 O ATOM 711 CB LEU A 46 0.540 5.691 -6.776 1.00 0.00 C ATOM 712 CG LEU A 46 0.369 5.503 -8.284 1.00 0.00 C ATOM 713 CD1 LEU A 46 -0.150 4.094 -8.572 1.00 0.00 C ATOM 714 CD2 LEU A 46 -0.631 6.533 -8.816 1.00 0.00 C ATOM 0 H LEU A 46 2.872 5.649 -5.906 1.00 0.00 H new ATOM 0 HA LEU A 46 1.371 7.572 -7.424 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.069 4.839 -6.350 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.435 5.736 -6.291 1.00 0.00 H new ATOM 0 HG LEU A 46 1.332 5.641 -8.776 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.271 3.963 -9.647 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.562 3.360 -8.195 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.112 3.953 -8.079 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.753 6.400 -9.891 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.593 6.396 -8.321 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.260 7.538 -8.615 1.00 0.00 H new ATOM 726 N LYS A 47 0.597 7.316 -4.213 1.00 0.00 N ATOM 727 CA LYS A 47 -0.090 8.060 -3.116 1.00 0.00 C ATOM 728 C LYS A 47 0.810 9.179 -2.570 1.00 0.00 C ATOM 729 O LYS A 47 0.466 9.844 -1.617 1.00 0.00 O ATOM 730 CB LYS A 47 -0.432 7.097 -1.979 1.00 0.00 C ATOM 731 CG LYS A 47 -1.130 7.867 -0.856 1.00 0.00 C ATOM 732 CD LYS A 47 -1.871 6.885 0.053 1.00 0.00 C ATOM 733 CE LYS A 47 -0.940 6.429 1.178 1.00 0.00 C ATOM 734 NZ LYS A 47 -1.748 6.077 2.379 1.00 0.00 N ATOM 0 H LYS A 47 1.036 6.439 -3.932 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.001 8.503 -3.519 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.079 6.299 -2.345 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.475 6.624 -1.602 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.398 8.432 -0.279 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.830 8.589 -1.276 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.759 7.359 0.471 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.211 6.025 -0.524 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.356 5.568 0.854 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.232 7.221 1.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.514 6.726 3.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.760 6.158 2.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.535 5.101 2.667 1.00 0.00 H new ATOM 748 N MET A 48 1.968 9.383 -3.138 1.00 0.00 N ATOM 749 CA MET A 48 2.880 10.445 -2.608 1.00 0.00 C ATOM 750 C MET A 48 2.367 11.850 -2.941 1.00 0.00 C ATOM 751 O MET A 48 2.337 12.704 -2.077 1.00 0.00 O ATOM 752 CB MET A 48 4.280 10.262 -3.195 1.00 0.00 C ATOM 753 CG MET A 48 5.248 9.852 -2.083 1.00 0.00 C ATOM 754 SD MET A 48 5.655 11.298 -1.072 1.00 0.00 S ATOM 755 CE MET A 48 7.314 11.581 -1.738 1.00 0.00 C ATOM 0 H MET A 48 2.323 8.865 -3.942 1.00 0.00 H new ATOM 0 HA MET A 48 2.912 10.345 -1.523 1.00 0.00 H new ATOM 0 HB2 MET A 48 4.262 9.501 -3.976 1.00 0.00 H new ATOM 0 HB3 MET A 48 4.615 11.189 -3.661 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.799 9.076 -1.463 1.00 0.00 H new ATOM 0 HG3 MET A 48 6.156 9.429 -2.514 1.00 0.00 H new ATOM 0 HE1 MET A 48 7.542 12.647 -1.707 1.00 0.00 H new ATOM 0 HE2 MET A 48 8.044 11.036 -1.139 1.00 0.00 H new ATOM 0 HE3 MET A 48 7.357 11.231 -2.769 1.00 0.00 H new ATOM 765 N PRO A 49 1.985 12.067 -4.170 1.00 0.00 N ATOM 766 CA PRO A 49 1.488 13.380 -4.600 1.00 0.00 C ATOM 767 C PRO A 49 0.096 13.624 -4.018 1.00 0.00 C ATOM 768 O PRO A 49 -0.873 13.051 -4.465 1.00 0.00 O ATOM 769 CB PRO A 49 1.470 13.285 -6.128 1.00 0.00 C ATOM 770 CG PRO A 49 1.434 11.777 -6.465 1.00 0.00 C ATOM 771 CD PRO A 49 1.994 11.044 -5.232 1.00 0.00 C ATOM 0 HA PRO A 49 2.100 14.215 -4.260 1.00 0.00 H new ATOM 0 HB2 PRO A 49 0.600 13.797 -6.540 1.00 0.00 H new ATOM 0 HB3 PRO A 49 2.352 13.759 -6.558 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.417 11.451 -6.682 1.00 0.00 H new ATOM 0 HG3 PRO A 49 2.033 11.562 -7.350 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.377 10.186 -4.964 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.001 10.668 -5.415 1.00 0.00 H new ATOM 779 N ASP A 50 0.034 14.470 -3.012 1.00 0.00 N ATOM 780 CA ASP A 50 -1.252 14.818 -2.317 1.00 0.00 C ATOM 781 C ASP A 50 -1.283 14.169 -0.929 1.00 0.00 C ATOM 782 O ASP A 50 -2.124 14.486 -0.112 1.00 0.00 O ATOM 783 CB ASP A 50 -2.481 14.363 -3.113 1.00 0.00 C ATOM 784 CG ASP A 50 -2.475 15.027 -4.491 1.00 0.00 C ATOM 785 OD1 ASP A 50 -1.859 16.071 -4.622 1.00 0.00 O ATOM 786 OD2 ASP A 50 -3.089 14.480 -5.393 1.00 0.00 O ATOM 0 H ASP A 50 0.850 14.949 -2.632 1.00 0.00 H new ATOM 0 HA ASP A 50 -1.291 15.904 -2.230 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.476 13.278 -3.221 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -3.392 14.625 -2.576 1.00 0.00 H new ATOM 791 N LEU A 51 -0.375 13.269 -0.643 1.00 0.00 N ATOM 792 CA LEU A 51 -0.380 12.627 0.702 1.00 0.00 C ATOM 793 C LEU A 51 0.586 13.376 1.624 1.00 0.00 C ATOM 794 O LEU A 51 1.554 13.962 1.180 1.00 0.00 O ATOM 795 CB LEU A 51 0.046 11.163 0.565 1.00 0.00 C ATOM 796 CG LEU A 51 0.020 10.476 1.932 1.00 0.00 C ATOM 797 CD1 LEU A 51 -1.284 9.691 2.082 1.00 0.00 C ATOM 798 CD2 LEU A 51 1.208 9.515 2.039 1.00 0.00 C ATOM 0 H LEU A 51 0.361 12.956 -1.276 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.382 12.667 1.130 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.622 10.645 -0.123 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.048 11.106 0.140 1.00 0.00 H new ATOM 0 HG LEU A 51 0.085 11.227 2.719 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.304 9.201 3.055 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.131 10.373 2.002 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.348 8.939 1.296 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.192 9.024 3.012 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.140 8.764 1.252 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.138 10.073 1.929 1.00 0.00 H new ATOM 810 N ASN A 52 0.327 13.370 2.906 1.00 0.00 N ATOM 811 CA ASN A 52 1.219 14.089 3.863 1.00 0.00 C ATOM 812 C ASN A 52 2.571 13.370 3.994 1.00 0.00 C ATOM 813 O ASN A 52 3.410 13.777 4.772 1.00 0.00 O ATOM 814 CB ASN A 52 0.546 14.150 5.237 1.00 0.00 C ATOM 815 CG ASN A 52 0.844 15.501 5.895 1.00 0.00 C ATOM 816 OD1 ASN A 52 1.146 16.464 5.220 1.00 0.00 O ATOM 817 ND2 ASN A 52 0.771 15.610 7.194 1.00 0.00 N ATOM 0 H ASN A 52 -0.468 12.895 3.333 1.00 0.00 H new ATOM 0 HA ASN A 52 1.393 15.096 3.485 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.530 14.015 5.132 1.00 0.00 H new ATOM 0 HB3 ASN A 52 0.910 13.339 5.868 1.00 0.00 H new ATOM 0 HD21 ASN A 52 0.968 16.505 7.643 1.00 0.00 H new ATOM 0 HD22 ASN A 52 0.517 14.800 7.760 1.00 0.00 H new ATOM 824 N ALA A 53 2.788 12.311 3.251 1.00 0.00 N ATOM 825 CA ALA A 53 4.090 11.583 3.346 1.00 0.00 C ATOM 826 C ALA A 53 5.232 12.590 3.487 1.00 0.00 C ATOM 827 O ALA A 53 5.255 13.613 2.829 1.00 0.00 O ATOM 828 CB ALA A 53 4.301 10.749 2.079 1.00 0.00 C ATOM 0 H ALA A 53 2.121 11.921 2.585 1.00 0.00 H new ATOM 0 HA ALA A 53 4.075 10.928 4.217 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.250 10.218 2.147 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.489 10.029 1.978 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.314 11.406 1.209 1.00 0.00 H new ATOM 834 N ALA A 54 6.178 12.318 4.342 1.00 0.00 N ATOM 835 CA ALA A 54 7.309 13.270 4.525 1.00 0.00 C ATOM 836 C ALA A 54 8.424 12.938 3.533 1.00 0.00 C ATOM 837 O ALA A 54 9.385 13.670 3.400 1.00 0.00 O ATOM 838 CB ALA A 54 7.847 13.156 5.953 1.00 0.00 C ATOM 0 H ALA A 54 6.217 11.479 4.921 1.00 0.00 H new ATOM 0 HA ALA A 54 6.958 14.287 4.349 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.675 13.853 6.087 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.053 13.395 6.661 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.197 12.139 6.130 1.00 0.00 H new ATOM 844 N SER A 55 8.307 11.841 2.838 1.00 0.00 N ATOM 845 CA SER A 55 9.358 11.463 1.858 1.00 0.00 C ATOM 846 C SER A 55 9.191 9.988 1.494 1.00 0.00 C ATOM 847 O SER A 55 8.343 9.301 2.023 1.00 0.00 O ATOM 848 CB SER A 55 10.740 11.693 2.479 1.00 0.00 C ATOM 849 OG SER A 55 11.512 10.502 2.386 1.00 0.00 O ATOM 0 H SER A 55 7.526 11.189 2.908 1.00 0.00 H new ATOM 0 HA SER A 55 9.265 12.073 0.959 1.00 0.00 H new ATOM 0 HB2 SER A 55 11.249 12.509 1.965 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.636 11.989 3.523 1.00 0.00 H new ATOM 0 HG SER A 55 12.395 10.653 2.782 1.00 0.00 H new ATOM 855 N ILE A 56 9.995 9.497 0.597 1.00 0.00 N ATOM 856 CA ILE A 56 9.881 8.065 0.208 1.00 0.00 C ATOM 857 C ILE A 56 10.049 7.195 1.455 1.00 0.00 C ATOM 858 O ILE A 56 9.147 6.488 1.854 1.00 0.00 O ATOM 859 CB ILE A 56 10.970 7.723 -0.809 1.00 0.00 C ATOM 860 CG1 ILE A 56 10.753 8.544 -2.083 1.00 0.00 C ATOM 861 CG2 ILE A 56 10.901 6.233 -1.145 1.00 0.00 C ATOM 862 CD1 ILE A 56 9.285 8.458 -2.503 1.00 0.00 C ATOM 0 H ILE A 56 10.725 10.023 0.116 1.00 0.00 H new ATOM 0 HA ILE A 56 8.904 7.880 -0.239 1.00 0.00 H new ATOM 0 HB ILE A 56 11.948 7.956 -0.388 1.00 0.00 H new ATOM 0 HG12 ILE A 56 11.032 9.583 -1.910 1.00 0.00 H new ATOM 0 HG13 ILE A 56 11.393 8.171 -2.882 1.00 0.00 H new ATOM 0 HG21 ILE A 56 11.677 5.987 -1.870 1.00 0.00 H new ATOM 0 HG22 ILE A 56 11.054 5.648 -0.238 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.923 6.000 -1.567 1.00 0.00 H new ATOM 0 HD11 ILE A 56 9.131 9.043 -3.410 1.00 0.00 H new ATOM 0 HD12 ILE A 56 9.021 7.418 -2.693 1.00 0.00 H new ATOM 0 HD13 ILE A 56 8.655 8.852 -1.706 1.00 0.00 H new ATOM 874 N GLU A 57 11.195 7.252 2.076 1.00 0.00 N ATOM 875 CA GLU A 57 11.416 6.435 3.300 1.00 0.00 C ATOM 876 C GLU A 57 10.299 6.721 4.306 1.00 0.00 C ATOM 877 O GLU A 57 9.776 5.824 4.939 1.00 0.00 O ATOM 878 CB GLU A 57 12.767 6.800 3.920 1.00 0.00 C ATOM 879 CG GLU A 57 13.821 6.907 2.817 1.00 0.00 C ATOM 880 CD GLU A 57 14.359 8.337 2.760 1.00 0.00 C ATOM 881 OE1 GLU A 57 14.268 9.025 3.763 1.00 0.00 O ATOM 882 OE2 GLU A 57 14.853 8.721 1.712 1.00 0.00 O ATOM 0 H GLU A 57 11.986 7.828 1.789 1.00 0.00 H new ATOM 0 HA GLU A 57 11.411 5.377 3.039 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.689 7.745 4.457 1.00 0.00 H new ATOM 0 HB3 GLU A 57 13.062 6.044 4.647 1.00 0.00 H new ATOM 0 HG2 GLU A 57 14.635 6.209 3.009 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.386 6.633 1.856 1.00 0.00 H new ATOM 889 N ALA A 58 9.922 7.962 4.454 1.00 0.00 N ATOM 890 CA ALA A 58 8.833 8.301 5.415 1.00 0.00 C ATOM 891 C ALA A 58 7.518 7.715 4.904 1.00 0.00 C ATOM 892 O ALA A 58 6.797 7.050 5.624 1.00 0.00 O ATOM 893 CB ALA A 58 8.707 9.822 5.529 1.00 0.00 C ATOM 0 H ALA A 58 10.320 8.755 3.952 1.00 0.00 H new ATOM 0 HA ALA A 58 9.064 7.886 6.396 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.911 10.070 6.231 1.00 0.00 H new ATOM 0 HB2 ALA A 58 9.649 10.239 5.886 1.00 0.00 H new ATOM 0 HB3 ALA A 58 8.471 10.242 4.551 1.00 0.00 H new ATOM 899 N ALA A 59 7.202 7.950 3.660 1.00 0.00 N ATOM 900 CA ALA A 59 5.939 7.401 3.098 1.00 0.00 C ATOM 901 C ALA A 59 5.973 5.881 3.227 1.00 0.00 C ATOM 902 O ALA A 59 4.967 5.241 3.439 1.00 0.00 O ATOM 903 CB ALA A 59 5.819 7.792 1.624 1.00 0.00 C ATOM 0 H ALA A 59 7.765 8.499 3.010 1.00 0.00 H new ATOM 0 HA ALA A 59 5.082 7.802 3.639 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.893 7.388 1.215 1.00 0.00 H new ATOM 0 HB2 ALA A 59 5.812 8.878 1.535 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.667 7.388 1.070 1.00 0.00 H new ATOM 909 N MET A 60 7.136 5.309 3.117 1.00 0.00 N ATOM 910 CA MET A 60 7.268 3.833 3.250 1.00 0.00 C ATOM 911 C MET A 60 6.837 3.422 4.656 1.00 0.00 C ATOM 912 O MET A 60 6.160 2.436 4.844 1.00 0.00 O ATOM 913 CB MET A 60 8.725 3.428 3.023 1.00 0.00 C ATOM 914 CG MET A 60 8.784 2.264 2.034 1.00 0.00 C ATOM 915 SD MET A 60 10.270 1.280 2.347 1.00 0.00 S ATOM 916 CE MET A 60 11.150 1.713 0.826 1.00 0.00 C ATOM 0 H MET A 60 8.010 5.805 2.939 1.00 0.00 H new ATOM 0 HA MET A 60 6.638 3.337 2.511 1.00 0.00 H new ATOM 0 HB2 MET A 60 9.293 4.275 2.638 1.00 0.00 H new ATOM 0 HB3 MET A 60 9.185 3.139 3.968 1.00 0.00 H new ATOM 0 HG2 MET A 60 7.895 1.642 2.135 1.00 0.00 H new ATOM 0 HG3 MET A 60 8.794 2.642 1.012 1.00 0.00 H new ATOM 0 HE1 MET A 60 12.115 1.206 0.807 1.00 0.00 H new ATOM 0 HE2 MET A 60 10.560 1.403 -0.037 1.00 0.00 H new ATOM 0 HE3 MET A 60 11.306 2.791 0.790 1.00 0.00 H new ATOM 926 N ARG A 61 7.217 4.179 5.650 1.00 0.00 N ATOM 927 CA ARG A 61 6.812 3.830 7.039 1.00 0.00 C ATOM 928 C ARG A 61 5.288 3.767 7.099 1.00 0.00 C ATOM 929 O ARG A 61 4.710 2.773 7.490 1.00 0.00 O ATOM 930 CB ARG A 61 7.322 4.899 8.009 1.00 0.00 C ATOM 931 CG ARG A 61 6.765 4.626 9.408 1.00 0.00 C ATOM 932 CD ARG A 61 6.151 5.909 9.971 1.00 0.00 C ATOM 933 NE ARG A 61 6.966 7.079 9.537 1.00 0.00 N ATOM 934 CZ ARG A 61 7.940 7.510 10.291 1.00 0.00 C ATOM 935 NH1 ARG A 61 8.443 6.735 11.212 1.00 0.00 N ATOM 936 NH2 ARG A 61 8.411 8.714 10.122 1.00 0.00 N ATOM 0 H ARG A 61 7.788 5.020 5.560 1.00 0.00 H new ATOM 0 HA ARG A 61 7.237 2.866 7.320 1.00 0.00 H new ATOM 0 HB2 ARG A 61 8.412 4.894 8.032 1.00 0.00 H new ATOM 0 HB3 ARG A 61 7.015 5.889 7.670 1.00 0.00 H new ATOM 0 HG2 ARG A 61 6.013 3.839 9.364 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.559 4.272 10.065 1.00 0.00 H new ATOM 0 HD2 ARG A 61 5.124 6.017 9.622 1.00 0.00 H new ATOM 0 HD3 ARG A 61 6.114 5.861 11.059 1.00 0.00 H new ATOM 0 HE ARG A 61 6.763 7.542 8.651 1.00 0.00 H new ATOM 0 HH11 ARG A 61 8.075 5.793 11.342 1.00 0.00 H new ATOM 0 HH12 ARG A 61 9.204 7.071 11.802 1.00 0.00 H new ATOM 0 HH21 ARG A 61 8.018 9.319 9.401 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.172 9.051 10.711 1.00 0.00 H new ATOM 950 N MET A 62 4.632 4.821 6.697 1.00 0.00 N ATOM 951 CA MET A 62 3.143 4.824 6.713 1.00 0.00 C ATOM 952 C MET A 62 2.627 3.891 5.615 1.00 0.00 C ATOM 953 O MET A 62 1.585 3.283 5.740 1.00 0.00 O ATOM 954 CB MET A 62 2.633 6.245 6.455 1.00 0.00 C ATOM 955 CG MET A 62 2.055 6.824 7.746 1.00 0.00 C ATOM 956 SD MET A 62 1.987 8.628 7.620 1.00 0.00 S ATOM 957 CE MET A 62 1.168 8.717 6.010 1.00 0.00 C ATOM 0 H MET A 62 5.064 5.681 6.358 1.00 0.00 H new ATOM 0 HA MET A 62 2.786 4.482 7.684 1.00 0.00 H new ATOM 0 HB2 MET A 62 3.447 6.874 6.094 1.00 0.00 H new ATOM 0 HB3 MET A 62 1.870 6.233 5.676 1.00 0.00 H new ATOM 0 HG2 MET A 62 1.057 6.423 7.922 1.00 0.00 H new ATOM 0 HG3 MET A 62 2.671 6.531 8.596 1.00 0.00 H new ATOM 0 HE1 MET A 62 0.695 9.692 5.896 1.00 0.00 H new ATOM 0 HE2 MET A 62 1.904 8.576 5.219 1.00 0.00 H new ATOM 0 HE3 MET A 62 0.410 7.936 5.944 1.00 0.00 H new ATOM 967 N ILE A 63 3.355 3.781 4.537 1.00 0.00 N ATOM 968 CA ILE A 63 2.923 2.897 3.418 1.00 0.00 C ATOM 969 C ILE A 63 3.133 1.433 3.811 1.00 0.00 C ATOM 970 O ILE A 63 2.191 0.676 3.940 1.00 0.00 O ATOM 971 CB ILE A 63 3.748 3.237 2.168 1.00 0.00 C ATOM 972 CG1 ILE A 63 3.193 4.513 1.530 1.00 0.00 C ATOM 973 CG2 ILE A 63 3.661 2.091 1.156 1.00 0.00 C ATOM 974 CD1 ILE A 63 1.756 4.268 1.058 1.00 0.00 C ATOM 0 H ILE A 63 4.237 4.270 4.383 1.00 0.00 H new ATOM 0 HA ILE A 63 1.865 3.053 3.205 1.00 0.00 H new ATOM 0 HB ILE A 63 4.789 3.385 2.455 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.216 5.331 2.250 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.817 4.812 0.688 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.249 2.340 0.273 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.051 1.178 1.606 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.621 1.938 0.868 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.362 5.177 0.604 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.747 3.462 0.324 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.136 3.990 1.910 1.00 0.00 H new ATOM 986 N GLU A 64 4.355 1.026 4.011 1.00 0.00 N ATOM 987 CA GLU A 64 4.609 -0.388 4.401 1.00 0.00 C ATOM 988 C GLU A 64 3.892 -0.677 5.721 1.00 0.00 C ATOM 989 O GLU A 64 3.141 -1.624 5.837 1.00 0.00 O ATOM 990 CB GLU A 64 6.114 -0.614 4.575 1.00 0.00 C ATOM 991 CG GLU A 64 6.572 -1.732 3.636 1.00 0.00 C ATOM 992 CD GLU A 64 7.907 -1.348 2.995 1.00 0.00 C ATOM 993 OE1 GLU A 64 8.846 -1.095 3.733 1.00 0.00 O ATOM 994 OE2 GLU A 64 7.970 -1.316 1.777 1.00 0.00 O ATOM 0 H GLU A 64 5.187 1.610 3.922 1.00 0.00 H new ATOM 0 HA GLU A 64 4.236 -1.055 3.624 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.658 0.305 4.357 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.336 -0.879 5.609 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.678 -2.665 4.189 1.00 0.00 H new ATOM 0 HG3 GLU A 64 5.822 -1.902 2.864 1.00 0.00 H new ATOM 1001 N GLY A 65 4.110 0.140 6.716 1.00 0.00 N ATOM 1002 CA GLY A 65 3.429 -0.086 8.022 1.00 0.00 C ATOM 1003 C GLY A 65 1.944 -0.348 7.768 1.00 0.00 C ATOM 1004 O GLY A 65 1.328 -1.169 8.418 1.00 0.00 O ATOM 0 H GLY A 65 4.728 0.951 6.681 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.878 -0.934 8.539 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.553 0.784 8.667 1.00 0.00 H new ATOM 1008 N THR A 66 1.370 0.340 6.819 1.00 0.00 N ATOM 1009 CA THR A 66 -0.072 0.131 6.509 1.00 0.00 C ATOM 1010 C THR A 66 -0.277 -1.302 6.022 1.00 0.00 C ATOM 1011 O THR A 66 -1.210 -1.978 6.409 1.00 0.00 O ATOM 1012 CB THR A 66 -0.503 1.103 5.408 1.00 0.00 C ATOM 1013 OG1 THR A 66 -0.559 2.421 5.937 1.00 0.00 O ATOM 1014 CG2 THR A 66 -1.883 0.708 4.882 1.00 0.00 C ATOM 0 H THR A 66 1.839 1.040 6.244 1.00 0.00 H new ATOM 0 HA THR A 66 -0.668 0.307 7.405 1.00 0.00 H new ATOM 0 HB THR A 66 0.218 1.066 4.592 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.351 2.770 6.043 1.00 0.00 H new ATOM 0 HG21 THR A 66 -2.186 1.402 4.098 1.00 0.00 H new ATOM 0 HG22 THR A 66 -1.842 -0.302 4.475 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.606 0.742 5.697 1.00 0.00 H new ATOM 1022 N ALA A 67 0.594 -1.770 5.172 1.00 0.00 N ATOM 1023 CA ALA A 67 0.461 -3.157 4.655 1.00 0.00 C ATOM 1024 C ALA A 67 0.380 -4.130 5.832 1.00 0.00 C ATOM 1025 O ALA A 67 -0.332 -5.113 5.791 1.00 0.00 O ATOM 1026 CB ALA A 67 1.680 -3.491 3.793 1.00 0.00 C ATOM 0 H ALA A 67 1.394 -1.249 4.813 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.444 -3.242 4.053 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.588 -4.508 3.411 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.737 -2.793 2.958 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.585 -3.410 4.396 1.00 0.00 H new ATOM 1032 N ARG A 68 1.103 -3.859 6.885 1.00 0.00 N ATOM 1033 CA ARG A 68 1.069 -4.765 8.068 1.00 0.00 C ATOM 1034 C ARG A 68 -0.357 -4.834 8.623 1.00 0.00 C ATOM 1035 O ARG A 68 -0.685 -5.701 9.407 1.00 0.00 O ATOM 1036 CB ARG A 68 2.009 -4.229 9.151 1.00 0.00 C ATOM 1037 CG ARG A 68 2.835 -5.378 9.730 1.00 0.00 C ATOM 1038 CD ARG A 68 4.322 -5.032 9.644 1.00 0.00 C ATOM 1039 NE ARG A 68 5.002 -5.980 8.716 1.00 0.00 N ATOM 1040 CZ ARG A 68 4.991 -7.260 8.968 1.00 0.00 C ATOM 1041 NH1 ARG A 68 5.862 -7.772 9.795 1.00 0.00 N ATOM 1042 NH2 ARG A 68 4.108 -8.030 8.394 1.00 0.00 N ATOM 0 H ARG A 68 1.716 -3.049 6.977 1.00 0.00 H new ATOM 0 HA ARG A 68 1.390 -5.762 7.767 1.00 0.00 H new ATOM 0 HB2 ARG A 68 2.669 -3.470 8.731 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.433 -3.748 9.941 1.00 0.00 H new ATOM 0 HG2 ARG A 68 2.552 -5.557 10.767 1.00 0.00 H new ATOM 0 HG3 ARG A 68 2.633 -6.298 9.181 1.00 0.00 H new ATOM 0 HD2 ARG A 68 4.448 -4.008 9.291 1.00 0.00 H new ATOM 0 HD3 ARG A 68 4.776 -5.086 10.633 1.00 0.00 H new ATOM 0 HE ARG A 68 5.476 -5.628 7.884 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.552 -7.171 10.245 1.00 0.00 H new ATOM 0 HH12 ARG A 68 5.852 -8.773 9.991 1.00 0.00 H new ATOM 0 HH21 ARG A 68 3.426 -7.631 7.748 1.00 0.00 H new ATOM 0 HH22 ARG A 68 4.099 -9.031 8.591 1.00 0.00 H new ATOM 1056 N SER A 69 -1.209 -3.928 8.221 1.00 0.00 N ATOM 1057 CA SER A 69 -2.609 -3.949 8.729 1.00 0.00 C ATOM 1058 C SER A 69 -3.378 -5.078 8.037 1.00 0.00 C ATOM 1059 O SER A 69 -4.399 -5.531 8.515 1.00 0.00 O ATOM 1060 CB SER A 69 -3.283 -2.611 8.421 1.00 0.00 C ATOM 1061 OG SER A 69 -3.933 -2.133 9.592 1.00 0.00 O ATOM 0 H SER A 69 -0.995 -3.177 7.565 1.00 0.00 H new ATOM 0 HA SER A 69 -2.606 -4.113 9.807 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.542 -1.887 8.081 1.00 0.00 H new ATOM 0 HB3 SER A 69 -4.005 -2.732 7.614 1.00 0.00 H new ATOM 0 HG SER A 69 -4.365 -1.275 9.399 1.00 0.00 H new ATOM 1067 N MET A 70 -2.890 -5.536 6.919 1.00 0.00 N ATOM 1068 CA MET A 70 -3.583 -6.637 6.194 1.00 0.00 C ATOM 1069 C MET A 70 -2.656 -7.847 6.117 1.00 0.00 C ATOM 1070 O MET A 70 -2.988 -8.932 6.551 1.00 0.00 O ATOM 1071 CB MET A 70 -3.923 -6.186 4.774 1.00 0.00 C ATOM 1072 CG MET A 70 -5.211 -5.362 4.790 1.00 0.00 C ATOM 1073 SD MET A 70 -6.640 -6.473 4.807 1.00 0.00 S ATOM 1074 CE MET A 70 -7.151 -6.214 3.089 1.00 0.00 C ATOM 0 H MET A 70 -2.038 -5.194 6.474 1.00 0.00 H new ATOM 0 HA MET A 70 -4.499 -6.897 6.725 1.00 0.00 H new ATOM 0 HB2 MET A 70 -3.105 -5.593 4.365 1.00 0.00 H new ATOM 0 HB3 MET A 70 -4.043 -7.054 4.125 1.00 0.00 H new ATOM 0 HG2 MET A 70 -5.230 -4.715 5.667 1.00 0.00 H new ATOM 0 HG3 MET A 70 -5.251 -4.714 3.914 1.00 0.00 H new ATOM 0 HE1 MET A 70 -8.034 -6.816 2.877 1.00 0.00 H new ATOM 0 HE2 MET A 70 -7.384 -5.161 2.934 1.00 0.00 H new ATOM 0 HE3 MET A 70 -6.342 -6.509 2.420 1.00 0.00 H new ATOM 1084 N GLY A 71 -1.489 -7.662 5.565 1.00 0.00 N ATOM 1085 CA GLY A 71 -0.527 -8.794 5.455 1.00 0.00 C ATOM 1086 C GLY A 71 0.307 -8.667 4.173 1.00 0.00 C ATOM 1087 O GLY A 71 0.812 -9.646 3.655 1.00 0.00 O ATOM 0 H GLY A 71 -1.160 -6.775 5.185 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.131 -8.806 6.324 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -1.068 -9.740 5.452 1.00 0.00 H new ATOM 1091 N ILE A 72 0.466 -7.477 3.656 1.00 0.00 N ATOM 1092 CA ILE A 72 1.275 -7.307 2.419 1.00 0.00 C ATOM 1093 C ILE A 72 2.731 -7.032 2.807 1.00 0.00 C ATOM 1094 O ILE A 72 3.141 -5.899 2.956 1.00 0.00 O ATOM 1095 CB ILE A 72 0.725 -6.131 1.607 1.00 0.00 C ATOM 1096 CG1 ILE A 72 -0.783 -6.306 1.421 1.00 0.00 C ATOM 1097 CG2 ILE A 72 1.405 -6.089 0.237 1.00 0.00 C ATOM 1098 CD1 ILE A 72 -1.527 -5.198 2.169 1.00 0.00 C ATOM 0 H ILE A 72 0.070 -6.618 4.038 1.00 0.00 H new ATOM 0 HA ILE A 72 1.223 -8.213 1.816 1.00 0.00 H new ATOM 0 HB ILE A 72 0.924 -5.200 2.137 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.034 -6.274 0.361 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.094 -7.282 1.794 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.012 -5.251 -0.339 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.480 -5.966 0.368 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.208 -7.019 -0.296 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.601 -5.326 2.034 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.286 -5.250 3.231 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.225 -4.227 1.776 1.00 0.00 H new ATOM 1110 N VAL A 73 3.510 -8.061 2.983 1.00 0.00 N ATOM 1111 CA VAL A 73 4.933 -7.866 3.376 1.00 0.00 C ATOM 1112 C VAL A 73 5.716 -7.249 2.214 1.00 0.00 C ATOM 1113 O VAL A 73 5.216 -7.107 1.115 1.00 0.00 O ATOM 1114 CB VAL A 73 5.538 -9.223 3.742 1.00 0.00 C ATOM 1115 CG1 VAL A 73 6.882 -9.016 4.445 1.00 0.00 C ATOM 1116 CG2 VAL A 73 4.583 -9.962 4.681 1.00 0.00 C ATOM 0 H VAL A 73 3.222 -9.033 2.871 1.00 0.00 H new ATOM 0 HA VAL A 73 4.986 -7.194 4.233 1.00 0.00 H new ATOM 0 HB VAL A 73 5.692 -9.809 2.836 1.00 0.00 H new ATOM 0 HG11 VAL A 73 7.310 -9.984 4.704 1.00 0.00 H new ATOM 0 HG12 VAL A 73 7.563 -8.485 3.780 1.00 0.00 H new ATOM 0 HG13 VAL A 73 6.732 -8.431 5.352 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.009 -10.930 4.945 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.433 -9.372 5.585 1.00 0.00 H new ATOM 0 HG23 VAL A 73 3.625 -10.111 4.182 1.00 0.00 H new ATOM 1126 N VAL A 74 6.945 -6.880 2.456 1.00 0.00 N ATOM 1127 CA VAL A 74 7.777 -6.269 1.381 1.00 0.00 C ATOM 1128 C VAL A 74 9.226 -6.716 1.558 1.00 0.00 C ATOM 1129 O VAL A 74 9.779 -6.657 2.638 1.00 0.00 O ATOM 1130 CB VAL A 74 7.698 -4.746 1.482 1.00 0.00 C ATOM 1131 CG1 VAL A 74 8.586 -4.113 0.408 1.00 0.00 C ATOM 1132 CG2 VAL A 74 6.251 -4.294 1.280 1.00 0.00 C ATOM 0 H VAL A 74 7.411 -6.976 3.358 1.00 0.00 H new ATOM 0 HA VAL A 74 7.410 -6.586 0.405 1.00 0.00 H new ATOM 0 HB VAL A 74 8.042 -4.431 2.467 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.528 -3.027 0.482 1.00 0.00 H new ATOM 0 HG12 VAL A 74 9.618 -4.432 0.554 1.00 0.00 H new ATOM 0 HG13 VAL A 74 8.245 -4.428 -0.578 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.196 -3.208 1.352 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.905 -4.610 0.296 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.620 -4.741 2.048 1.00 0.00 H new ATOM 1142 N GLU A 75 9.841 -7.165 0.502 1.00 0.00 N ATOM 1143 CA GLU A 75 11.254 -7.625 0.602 1.00 0.00 C ATOM 1144 C GLU A 75 12.055 -7.083 -0.583 1.00 0.00 C ATOM 1145 O GLU A 75 11.596 -7.090 -1.708 1.00 0.00 O ATOM 1146 CB GLU A 75 11.294 -9.154 0.587 1.00 0.00 C ATOM 1147 CG GLU A 75 12.162 -9.654 1.742 1.00 0.00 C ATOM 1148 CD GLU A 75 11.311 -10.494 2.697 1.00 0.00 C ATOM 1149 OE1 GLU A 75 10.301 -11.015 2.253 1.00 0.00 O ATOM 1150 OE2 GLU A 75 11.682 -10.599 3.853 1.00 0.00 O ATOM 0 H GLU A 75 9.427 -7.234 -0.428 1.00 0.00 H new ATOM 0 HA GLU A 75 11.689 -7.258 1.531 1.00 0.00 H new ATOM 0 HB2 GLU A 75 10.285 -9.555 0.677 1.00 0.00 H new ATOM 0 HB3 GLU A 75 11.695 -9.508 -0.363 1.00 0.00 H new ATOM 0 HG2 GLU A 75 12.990 -10.250 1.357 1.00 0.00 H new ATOM 0 HG3 GLU A 75 12.598 -8.809 2.275 1.00 0.00 H new ATOM 1157 N ASP A 76 13.250 -6.615 -0.336 1.00 0.00 N ATOM 1158 CA ASP A 76 14.089 -6.071 -1.443 1.00 0.00 C ATOM 1159 C ASP A 76 13.220 -5.245 -2.393 1.00 0.00 C ATOM 1160 O ASP A 76 12.237 -4.688 -1.932 1.00 0.00 O ATOM 1161 CB ASP A 76 14.730 -7.228 -2.213 1.00 0.00 C ATOM 1162 CG ASP A 76 16.113 -6.805 -2.714 1.00 0.00 C ATOM 1163 OD1 ASP A 76 16.816 -6.146 -1.966 1.00 0.00 O ATOM 1164 OD2 ASP A 76 16.443 -7.147 -3.838 1.00 0.00 O ATOM 1165 OXT ASP A 76 13.548 -5.186 -3.567 1.00 0.00 O ATOM 0 H ASP A 76 13.682 -6.586 0.588 1.00 0.00 H new ATOM 0 HA ASP A 76 14.869 -5.435 -1.024 1.00 0.00 H new ATOM 0 HB2 ASP A 76 14.817 -8.103 -1.569 1.00 0.00 H new ATOM 0 HB3 ASP A 76 14.098 -7.513 -3.054 1.00 0.00 H new TER 1170 ASP A 76