USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 511 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 39 HIS : no HE2:sc= -0.0123 K(o=1.2,f=-1.8!) USER MOD Set 1.2: A 63 HIS : no HE2:sc= 1.18 K(o=1.2,f=-4!) USER MOD Set 2.1: A 49 GLN : amide:sc= 0.635 K(o=0.21,f=-3.3!) USER MOD Set 2.2: A 57 ASN : amide:sc= -0.429 K(o=0.21,f=0.92) USER MOD Set 3.1: A 16 ASN : amide:sc= 0.414 K(o=2,f=-8.4!) USER MOD Set 3.2: A 17 ASN : amide:sc= 1.57 K(o=2,f=-5.1!) USER MOD Set 4.1: A 15 HIS : no HE2:sc= 0.799 K(o=2.1,f=-6.8!) USER MOD Set 4.2: A 20 SER OG : rot 33:sc= 1.33 USER MOD Single : A 5 LYS NZ :NH3+ 149:sc= 1.09 (180deg=0.589) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 21:sc= 1.1 USER MOD Single : A 8 THR OG1 : rot 168:sc= 1.25 USER MOD Single : A 13 GLN : amide:sc= 0.553 K(o=0.55,f=-0.13) USER MOD Single : A 14 LYS NZ :NH3+ -146:sc= 1.22 (180deg=1.08) USER MOD Single : A 18 SER OG : rot 180:sc= 0.107 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 46:sc= 0.0147 USER MOD Single : A 26 HIS : no HE2:sc= -1.31 K(o=-1.3,f=-3.6!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 166:sc= 2.16 (180deg=1.89) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 111:sc= 1.66 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HE2:sc= 0.845 K(o=0.85,f=-2.8!) USER MOD Single : A 55 THR OG1 : rot 30:sc= 1.35 USER MOD Single : A 64 SER OG : rot 35:sc= 0.332 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0158 USER MOD Single : A 71 SER OG : rot 180:sc=-0.000822 USER MOD Single : A 72 LYS NZ :NH3+ -163:sc= 0.85 (180deg=-1.34!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -2.76 K(o=-2.8,f=-7.2!) USER MOD ----------------------------------------------------------------- ATOM 29 N LYS A 5 3.734 -3.085 -13.781 1.00 0.00 N ATOM 30 CA LYS A 5 4.033 -4.510 -13.625 1.00 0.00 C ATOM 31 C LYS A 5 2.780 -5.252 -13.190 1.00 0.00 C ATOM 32 O LYS A 5 2.343 -6.157 -13.894 1.00 0.00 O ATOM 33 CB LYS A 5 5.188 -4.722 -12.624 1.00 0.00 C ATOM 34 CG LYS A 5 5.493 -6.220 -12.404 1.00 0.00 C ATOM 35 CD LYS A 5 6.408 -6.449 -11.189 1.00 0.00 C ATOM 36 CE LYS A 5 6.296 -7.885 -10.638 1.00 0.00 C ATOM 37 NZ LYS A 5 7.023 -8.047 -9.356 1.00 0.00 N ATOM 0 HA LYS A 5 4.357 -4.913 -14.585 1.00 0.00 H new ATOM 0 HB2 LYS A 5 6.083 -4.220 -12.991 1.00 0.00 H new ATOM 0 HB3 LYS A 5 4.931 -4.260 -11.671 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.559 -6.763 -12.262 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.967 -6.629 -13.297 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.442 -6.250 -11.472 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.150 -5.739 -10.403 1.00 0.00 H new ATOM 0 HE2 LYS A 5 5.245 -8.137 -10.493 1.00 0.00 H new ATOM 0 HE3 LYS A 5 6.694 -8.587 -11.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.543 -8.762 -8.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 7.999 -8.353 -9.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 7.038 -7.140 -8.848 1.00 0.00 H new ATOM 47 N TYR A 6 2.272 -4.837 -12.027 1.00 0.00 N ATOM 48 CA TYR A 6 1.271 -5.486 -11.184 1.00 0.00 C ATOM 49 C TYR A 6 2.005 -6.272 -10.114 1.00 0.00 C ATOM 50 O TYR A 6 3.152 -6.679 -10.292 1.00 0.00 O ATOM 51 CB TYR A 6 0.360 -6.469 -11.918 1.00 0.00 C ATOM 52 CG TYR A 6 -0.541 -5.936 -13.017 1.00 0.00 C ATOM 53 CD1 TYR A 6 -1.225 -4.721 -12.851 1.00 0.00 C ATOM 54 CD2 TYR A 6 -0.772 -6.712 -14.169 1.00 0.00 C ATOM 55 CE1 TYR A 6 -2.183 -4.314 -13.796 1.00 0.00 C ATOM 56 CE2 TYR A 6 -1.696 -6.283 -15.137 1.00 0.00 C ATOM 57 CZ TYR A 6 -2.401 -5.084 -14.949 1.00 0.00 C ATOM 58 OH TYR A 6 -3.327 -4.689 -15.861 1.00 0.00 O ATOM 0 H TYR A 6 2.581 -3.956 -11.616 1.00 0.00 H new ATOM 0 HA TYR A 6 0.636 -4.691 -10.794 1.00 0.00 H new ATOM 0 HB2 TYR A 6 0.990 -7.245 -12.353 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -0.274 -6.953 -11.175 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -1.015 -4.097 -11.995 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -0.237 -7.640 -14.309 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -2.751 -3.410 -13.635 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -1.863 -6.875 -16.025 1.00 0.00 H new ATOM 0 HH TYR A 6 -3.353 -5.332 -16.600 1.00 0.00 H new ATOM 67 N TYR A 7 1.333 -6.483 -8.992 1.00 0.00 N ATOM 68 CA TYR A 7 1.886 -7.295 -7.937 1.00 0.00 C ATOM 69 C TYR A 7 0.766 -8.151 -7.382 1.00 0.00 C ATOM 70 O TYR A 7 -0.142 -7.643 -6.735 1.00 0.00 O ATOM 71 CB TYR A 7 2.560 -6.410 -6.891 1.00 0.00 C ATOM 72 CG TYR A 7 3.400 -5.292 -7.446 1.00 0.00 C ATOM 73 CD1 TYR A 7 2.783 -4.112 -7.896 1.00 0.00 C ATOM 74 CD2 TYR A 7 4.765 -5.500 -7.673 1.00 0.00 C ATOM 75 CE1 TYR A 7 3.518 -3.210 -8.676 1.00 0.00 C ATOM 76 CE2 TYR A 7 5.539 -4.478 -8.235 1.00 0.00 C ATOM 77 CZ TYR A 7 4.910 -3.341 -8.770 1.00 0.00 C ATOM 78 OH TYR A 7 5.626 -2.405 -9.450 1.00 0.00 O ATOM 0 H TYR A 7 0.408 -6.101 -8.796 1.00 0.00 H new ATOM 0 HA TYR A 7 2.669 -7.959 -8.304 1.00 0.00 H new ATOM 0 HB2 TYR A 7 1.790 -5.981 -6.250 1.00 0.00 H new ATOM 0 HB3 TYR A 7 3.189 -7.036 -6.258 1.00 0.00 H new ATOM 0 HD1 TYR A 7 1.754 -3.903 -7.643 1.00 0.00 H new ATOM 0 HD2 TYR A 7 5.220 -6.445 -7.416 1.00 0.00 H new ATOM 0 HE1 TYR A 7 3.013 -2.415 -9.204 1.00 0.00 H new ATOM 0 HE2 TYR A 7 6.615 -4.563 -8.257 1.00 0.00 H new ATOM 0 HH TYR A 7 5.108 -1.575 -9.507 1.00 0.00 H new ATOM 87 N THR A 8 0.820 -9.449 -7.668 1.00 0.00 N ATOM 88 CA THR A 8 -0.069 -10.406 -7.028 1.00 0.00 C ATOM 89 C THR A 8 0.055 -10.220 -5.524 1.00 0.00 C ATOM 90 O THR A 8 1.129 -9.921 -5.005 1.00 0.00 O ATOM 91 CB THR A 8 0.305 -11.840 -7.426 1.00 0.00 C ATOM 92 OG1 THR A 8 1.683 -12.052 -7.205 1.00 0.00 O ATOM 93 CG2 THR A 8 0.001 -12.097 -8.901 1.00 0.00 C ATOM 0 H THR A 8 1.470 -9.859 -8.338 1.00 0.00 H new ATOM 0 HA THR A 8 -1.098 -10.237 -7.346 1.00 0.00 H new ATOM 0 HB THR A 8 -0.287 -12.523 -6.817 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.881 -13.010 -7.267 1.00 0.00 H new ATOM 0 HG21 THR A 8 0.276 -13.121 -9.156 1.00 0.00 H new ATOM 0 HG22 THR A 8 -1.064 -11.951 -9.084 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.574 -11.403 -9.517 1.00 0.00 H new ATOM 101 N LEU A 9 -1.041 -10.392 -4.806 1.00 0.00 N ATOM 102 CA LEU A 9 -1.067 -10.405 -3.358 1.00 0.00 C ATOM 103 C LEU A 9 -0.038 -11.395 -2.799 1.00 0.00 C ATOM 104 O LEU A 9 0.452 -11.213 -1.699 1.00 0.00 O ATOM 105 CB LEU A 9 -2.469 -10.810 -2.972 1.00 0.00 C ATOM 106 CG LEU A 9 -2.878 -10.563 -1.512 1.00 0.00 C ATOM 107 CD1 LEU A 9 -3.110 -9.076 -1.228 1.00 0.00 C ATOM 108 CD2 LEU A 9 -4.172 -11.332 -1.234 1.00 0.00 C ATOM 0 H LEU A 9 -1.960 -10.530 -5.227 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.808 -9.429 -2.948 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.168 -10.277 -3.617 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.587 -11.873 -3.184 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.069 -10.904 -0.866 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.397 -8.945 -0.185 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.193 -8.521 -1.424 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.905 -8.702 -1.873 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.478 -11.168 -0.201 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.956 -10.980 -1.905 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.005 -12.397 -1.399 1.00 0.00 H new ATOM 119 N GLU A 10 0.302 -12.440 -3.554 1.00 0.00 N ATOM 120 CA GLU A 10 1.447 -13.309 -3.274 1.00 0.00 C ATOM 121 C GLU A 10 2.729 -12.474 -3.083 1.00 0.00 C ATOM 122 O GLU A 10 3.462 -12.656 -2.110 1.00 0.00 O ATOM 123 CB GLU A 10 1.564 -14.346 -4.413 1.00 0.00 C ATOM 124 CG GLU A 10 2.924 -14.397 -5.139 1.00 0.00 C ATOM 125 CD GLU A 10 2.856 -15.200 -6.426 1.00 0.00 C ATOM 126 OE1 GLU A 10 2.249 -14.651 -7.372 1.00 0.00 O ATOM 127 OE2 GLU A 10 3.428 -16.309 -6.438 1.00 0.00 O ATOM 0 H GLU A 10 -0.217 -12.711 -4.389 1.00 0.00 H new ATOM 0 HA GLU A 10 1.301 -13.848 -2.338 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.356 -15.334 -4.002 1.00 0.00 H new ATOM 0 HB3 GLU A 10 0.788 -14.137 -5.150 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.253 -13.382 -5.363 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.671 -14.836 -4.478 1.00 0.00 H new ATOM 132 N GLU A 11 2.969 -11.518 -3.987 1.00 0.00 N ATOM 133 CA GLU A 11 4.024 -10.523 -3.880 1.00 0.00 C ATOM 134 C GLU A 11 3.726 -9.602 -2.718 1.00 0.00 C ATOM 135 O GLU A 11 4.501 -9.552 -1.773 1.00 0.00 O ATOM 136 CB GLU A 11 4.230 -9.766 -5.212 1.00 0.00 C ATOM 137 CG GLU A 11 5.672 -9.258 -5.397 1.00 0.00 C ATOM 138 CD GLU A 11 6.539 -10.149 -6.276 1.00 0.00 C ATOM 139 OE1 GLU A 11 6.982 -11.204 -5.769 1.00 0.00 O ATOM 140 OE2 GLU A 11 6.766 -9.738 -7.440 1.00 0.00 O ATOM 0 H GLU A 11 2.413 -11.418 -4.837 1.00 0.00 H new ATOM 0 HA GLU A 11 4.973 -11.021 -3.679 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.973 -10.425 -6.042 1.00 0.00 H new ATOM 0 HB3 GLU A 11 3.544 -8.920 -5.253 1.00 0.00 H new ATOM 0 HG2 GLU A 11 5.640 -8.259 -5.831 1.00 0.00 H new ATOM 0 HG3 GLU A 11 6.141 -9.166 -4.418 1.00 0.00 H new ATOM 145 N ILE A 12 2.583 -8.926 -2.733 1.00 0.00 N ATOM 146 CA ILE A 12 2.241 -7.966 -1.686 1.00 0.00 C ATOM 147 C ILE A 12 2.428 -8.543 -0.275 1.00 0.00 C ATOM 148 O ILE A 12 2.999 -7.889 0.599 1.00 0.00 O ATOM 149 CB ILE A 12 0.840 -7.371 -1.910 1.00 0.00 C ATOM 150 CG1 ILE A 12 0.543 -6.986 -3.375 1.00 0.00 C ATOM 151 CG2 ILE A 12 0.665 -6.112 -1.063 1.00 0.00 C ATOM 152 CD1 ILE A 12 -0.909 -6.575 -3.586 1.00 0.00 C ATOM 0 H ILE A 12 1.875 -9.024 -3.460 1.00 0.00 H new ATOM 0 HA ILE A 12 2.950 -7.141 -1.758 1.00 0.00 H new ATOM 0 HB ILE A 12 0.146 -8.161 -1.624 1.00 0.00 H new ATOM 0 HG12 ILE A 12 1.196 -6.166 -3.672 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.777 -7.830 -4.024 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.330 -5.698 -1.228 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.783 -6.363 -0.009 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.417 -5.375 -1.347 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.065 -6.314 -4.633 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.564 -7.403 -3.317 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.138 -5.713 -2.959 1.00 0.00 H new ATOM 163 N GLN A 13 2.055 -9.807 -0.077 1.00 0.00 N ATOM 164 CA GLN A 13 2.223 -10.478 1.210 1.00 0.00 C ATOM 165 C GLN A 13 3.667 -10.488 1.709 1.00 0.00 C ATOM 166 O GLN A 13 3.915 -10.453 2.913 1.00 0.00 O ATOM 167 CB GLN A 13 1.711 -11.917 1.114 1.00 0.00 C ATOM 168 CG GLN A 13 0.195 -11.993 1.363 1.00 0.00 C ATOM 169 CD GLN A 13 -0.218 -11.618 2.784 1.00 0.00 C ATOM 170 OE1 GLN A 13 -0.217 -12.453 3.678 1.00 0.00 O ATOM 171 NE2 GLN A 13 -0.597 -10.368 3.023 1.00 0.00 N ATOM 0 H GLN A 13 1.631 -10.390 -0.799 1.00 0.00 H new ATOM 0 HA GLN A 13 1.642 -9.906 1.933 1.00 0.00 H new ATOM 0 HB2 GLN A 13 1.940 -12.321 0.128 1.00 0.00 H new ATOM 0 HB3 GLN A 13 2.232 -12.539 1.842 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -0.312 -11.331 0.661 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -0.148 -13.006 1.151 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -0.593 -9.681 2.269 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -0.892 -10.095 3.961 1.00 0.00 H new ATOM 178 N LYS A 14 4.627 -10.543 0.789 1.00 0.00 N ATOM 179 CA LYS A 14 6.036 -10.609 1.119 1.00 0.00 C ATOM 180 C LYS A 14 6.595 -9.243 1.591 1.00 0.00 C ATOM 181 O LYS A 14 7.753 -9.169 2.001 1.00 0.00 O ATOM 182 CB LYS A 14 6.782 -11.135 -0.120 1.00 0.00 C ATOM 183 CG LYS A 14 6.593 -12.646 -0.338 1.00 0.00 C ATOM 184 CD LYS A 14 7.400 -13.174 -1.542 1.00 0.00 C ATOM 185 CE LYS A 14 6.843 -12.602 -2.852 1.00 0.00 C ATOM 186 NZ LYS A 14 7.514 -13.104 -4.067 1.00 0.00 N ATOM 0 H LYS A 14 4.440 -10.543 -0.214 1.00 0.00 H new ATOM 0 HA LYS A 14 6.183 -11.286 1.961 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.432 -10.599 -1.003 1.00 0.00 H new ATOM 0 HB3 LYS A 14 7.845 -10.918 -0.016 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.897 -13.181 0.562 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.535 -12.858 -0.493 1.00 0.00 H new ATOM 0 HD2 LYS A 14 8.449 -12.898 -1.434 1.00 0.00 H new ATOM 0 HD3 LYS A 14 7.358 -14.263 -1.566 1.00 0.00 H new ATOM 0 HE2 LYS A 14 5.780 -12.837 -2.915 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.929 -11.516 -2.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 7.541 -12.352 -4.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 8.485 -13.394 -3.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.990 -13.921 -4.441 1.00 0.00 H new ATOM 196 N HIS A 15 5.798 -8.165 1.524 1.00 0.00 N ATOM 197 CA HIS A 15 6.223 -6.791 1.801 1.00 0.00 C ATOM 198 C HIS A 15 5.335 -6.112 2.860 1.00 0.00 C ATOM 199 O HIS A 15 4.353 -5.452 2.529 1.00 0.00 O ATOM 200 CB HIS A 15 6.177 -6.008 0.487 1.00 0.00 C ATOM 201 CG HIS A 15 7.010 -6.589 -0.631 1.00 0.00 C ATOM 202 ND1 HIS A 15 8.364 -6.445 -0.823 1.00 0.00 N ATOM 203 CD2 HIS A 15 6.530 -7.297 -1.695 1.00 0.00 C ATOM 204 CE1 HIS A 15 8.688 -7.070 -1.966 1.00 0.00 C ATOM 205 NE2 HIS A 15 7.603 -7.613 -2.533 1.00 0.00 N ATOM 0 H HIS A 15 4.813 -8.231 1.268 1.00 0.00 H new ATOM 0 HA HIS A 15 7.234 -6.807 2.207 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.141 -5.947 0.154 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.512 -4.988 0.677 1.00 0.00 H new ATOM 0 HD1 HIS A 15 9.008 -5.951 -0.206 1.00 0.00 H new ATOM 0 HD2 HIS A 15 5.497 -7.567 -1.861 1.00 0.00 H new ATOM 0 HE1 HIS A 15 9.687 -7.127 -2.373 1.00 0.00 H new ATOM 212 N ASN A 16 5.688 -6.241 4.143 1.00 0.00 N ATOM 213 CA ASN A 16 4.868 -5.740 5.251 1.00 0.00 C ATOM 214 C ASN A 16 5.660 -5.199 6.456 1.00 0.00 C ATOM 215 O ASN A 16 5.100 -5.084 7.544 1.00 0.00 O ATOM 216 CB ASN A 16 3.902 -6.859 5.671 1.00 0.00 C ATOM 217 CG ASN A 16 4.619 -8.104 6.189 1.00 0.00 C ATOM 218 OD1 ASN A 16 5.805 -8.088 6.506 1.00 0.00 O ATOM 219 ND2 ASN A 16 3.907 -9.217 6.277 1.00 0.00 N ATOM 0 H ASN A 16 6.550 -6.696 4.443 1.00 0.00 H new ATOM 0 HA ASN A 16 4.327 -4.867 4.886 1.00 0.00 H new ATOM 0 HB2 ASN A 16 3.234 -6.483 6.446 1.00 0.00 H new ATOM 0 HB3 ASN A 16 3.280 -7.133 4.819 1.00 0.00 H new ATOM 0 HD21 ASN A 16 4.343 -10.076 6.612 1.00 0.00 H new ATOM 0 HD22 ASN A 16 2.923 -9.215 6.010 1.00 0.00 H new ATOM 225 N ASN A 17 6.952 -4.885 6.306 1.00 0.00 N ATOM 226 CA ASN A 17 7.796 -4.454 7.426 1.00 0.00 C ATOM 227 C ASN A 17 8.939 -3.558 6.928 1.00 0.00 C ATOM 228 O ASN A 17 8.942 -3.169 5.767 1.00 0.00 O ATOM 229 CB ASN A 17 8.304 -5.708 8.167 1.00 0.00 C ATOM 230 CG ASN A 17 7.346 -6.146 9.266 1.00 0.00 C ATOM 231 OD1 ASN A 17 7.295 -5.526 10.325 1.00 0.00 O ATOM 232 ND2 ASN A 17 6.589 -7.212 9.057 1.00 0.00 N ATOM 0 H ASN A 17 7.439 -4.922 5.411 1.00 0.00 H new ATOM 0 HA ASN A 17 7.220 -3.850 8.127 1.00 0.00 H new ATOM 0 HB2 ASN A 17 8.435 -6.522 7.454 1.00 0.00 H new ATOM 0 HB3 ASN A 17 9.283 -5.502 8.600 1.00 0.00 H new ATOM 0 HD21 ASN A 17 5.948 -7.533 9.783 1.00 0.00 H new ATOM 0 HD22 ASN A 17 6.647 -7.713 8.170 1.00 0.00 H new ATOM 238 N SER A 18 9.948 -3.279 7.766 1.00 0.00 N ATOM 239 CA SER A 18 11.195 -2.593 7.410 1.00 0.00 C ATOM 240 C SER A 18 11.771 -3.045 6.056 1.00 0.00 C ATOM 241 O SER A 18 12.349 -2.253 5.320 1.00 0.00 O ATOM 242 CB SER A 18 12.202 -2.817 8.546 1.00 0.00 C ATOM 243 OG SER A 18 11.513 -2.836 9.790 1.00 0.00 O ATOM 0 H SER A 18 9.914 -3.537 8.752 1.00 0.00 H new ATOM 0 HA SER A 18 10.984 -1.531 7.289 1.00 0.00 H new ATOM 0 HB2 SER A 18 12.732 -3.758 8.397 1.00 0.00 H new ATOM 0 HB3 SER A 18 12.951 -2.025 8.544 1.00 0.00 H new ATOM 0 HG SER A 18 12.154 -2.981 10.517 1.00 0.00 H new ATOM 248 N LYS A 19 11.591 -4.336 5.745 1.00 0.00 N ATOM 249 CA LYS A 19 11.792 -4.973 4.443 1.00 0.00 C ATOM 250 C LYS A 19 11.418 -4.054 3.271 1.00 0.00 C ATOM 251 O LYS A 19 12.165 -3.877 2.312 1.00 0.00 O ATOM 252 CB LYS A 19 10.824 -6.174 4.423 1.00 0.00 C ATOM 253 CG LYS A 19 10.867 -7.048 3.159 1.00 0.00 C ATOM 254 CD LYS A 19 12.282 -7.445 2.719 1.00 0.00 C ATOM 255 CE LYS A 19 12.186 -8.340 1.476 1.00 0.00 C ATOM 256 NZ LYS A 19 13.522 -8.633 0.915 1.00 0.00 N ATOM 0 H LYS A 19 11.279 -5.006 6.448 1.00 0.00 H new ATOM 0 HA LYS A 19 12.842 -5.239 4.325 1.00 0.00 H new ATOM 0 HB2 LYS A 19 11.040 -6.805 5.285 1.00 0.00 H new ATOM 0 HB3 LYS A 19 9.808 -5.800 4.548 1.00 0.00 H new ATOM 0 HG2 LYS A 19 10.286 -7.953 3.336 1.00 0.00 H new ATOM 0 HG3 LYS A 19 10.381 -6.512 2.343 1.00 0.00 H new ATOM 0 HD2 LYS A 19 12.871 -6.555 2.498 1.00 0.00 H new ATOM 0 HD3 LYS A 19 12.793 -7.973 3.524 1.00 0.00 H new ATOM 0 HE2 LYS A 19 11.687 -9.273 1.736 1.00 0.00 H new ATOM 0 HE3 LYS A 19 11.572 -7.850 0.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 13.421 -9.240 0.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 13.988 -7.743 0.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 14.099 -9.122 1.629 1.00 0.00 H new ATOM 266 N SER A 20 10.189 -3.565 3.397 1.00 0.00 N ATOM 267 CA SER A 20 9.336 -2.825 2.478 1.00 0.00 C ATOM 268 C SER A 20 7.899 -3.003 2.995 1.00 0.00 C ATOM 269 O SER A 20 7.510 -4.142 3.266 1.00 0.00 O ATOM 270 CB SER A 20 9.440 -3.374 1.054 1.00 0.00 C ATOM 271 OG SER A 20 9.190 -4.765 1.112 1.00 0.00 O ATOM 0 H SER A 20 9.698 -3.701 4.281 1.00 0.00 H new ATOM 0 HA SER A 20 9.635 -1.778 2.439 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.719 -2.882 0.401 1.00 0.00 H new ATOM 0 HB3 SER A 20 10.430 -3.180 0.640 1.00 0.00 H new ATOM 0 HG SER A 20 8.540 -4.951 1.821 1.00 0.00 H new ATOM 276 N THR A 21 7.129 -1.926 3.135 1.00 0.00 N ATOM 277 CA THR A 21 5.764 -1.941 3.668 1.00 0.00 C ATOM 278 C THR A 21 4.799 -1.640 2.534 1.00 0.00 C ATOM 279 O THR A 21 4.612 -0.477 2.175 1.00 0.00 O ATOM 280 CB THR A 21 5.616 -0.943 4.833 1.00 0.00 C ATOM 281 OG1 THR A 21 6.065 -1.564 6.021 1.00 0.00 O ATOM 282 CG2 THR A 21 4.194 -0.425 5.070 1.00 0.00 C ATOM 0 H THR A 21 7.444 -0.992 2.874 1.00 0.00 H new ATOM 0 HA THR A 21 5.534 -2.925 4.075 1.00 0.00 H new ATOM 0 HB THR A 21 6.213 -0.074 4.556 1.00 0.00 H new ATOM 0 HG1 THR A 21 6.919 -2.014 5.852 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.195 0.270 5.910 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.840 0.087 4.176 1.00 0.00 H new ATOM 0 HG23 THR A 21 3.534 -1.263 5.294 1.00 0.00 H new ATOM 290 N TRP A 22 4.193 -2.695 1.980 1.00 0.00 N ATOM 291 CA TRP A 22 3.173 -2.575 0.956 1.00 0.00 C ATOM 292 C TRP A 22 1.783 -2.457 1.511 1.00 0.00 C ATOM 293 O TRP A 22 1.521 -2.768 2.660 1.00 0.00 O ATOM 294 CB TRP A 22 3.305 -3.638 -0.137 1.00 0.00 C ATOM 295 CG TRP A 22 4.520 -3.591 -1.005 1.00 0.00 C ATOM 296 CD1 TRP A 22 5.652 -2.892 -0.789 1.00 0.00 C ATOM 297 CD2 TRP A 22 4.746 -4.328 -2.237 1.00 0.00 C ATOM 298 NE1 TRP A 22 6.548 -3.133 -1.806 1.00 0.00 N ATOM 299 CE2 TRP A 22 6.044 -4.022 -2.733 1.00 0.00 C ATOM 300 CE3 TRP A 22 3.970 -5.214 -3.001 1.00 0.00 C ATOM 301 CZ2 TRP A 22 6.512 -4.565 -3.941 1.00 0.00 C ATOM 302 CZ3 TRP A 22 4.524 -5.931 -4.064 1.00 0.00 C ATOM 303 CH2 TRP A 22 5.776 -5.573 -4.570 1.00 0.00 C ATOM 0 H TRP A 22 4.404 -3.659 2.237 1.00 0.00 H new ATOM 0 HA TRP A 22 3.359 -1.621 0.462 1.00 0.00 H new ATOM 0 HB2 TRP A 22 3.271 -4.617 0.341 1.00 0.00 H new ATOM 0 HB3 TRP A 22 2.429 -3.568 -0.782 1.00 0.00 H new ATOM 0 HD1 TRP A 22 5.829 -2.241 0.054 1.00 0.00 H new ATOM 0 HE1 TRP A 22 7.472 -2.706 -1.867 1.00 0.00 H new ATOM 0 HE3 TRP A 22 2.925 -5.344 -2.762 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 7.432 -4.207 -4.380 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 3.985 -6.762 -4.495 1.00 0.00 H new ATOM 0 HH2 TRP A 22 6.173 -6.072 -5.442 1.00 0.00 H new ATOM 313 N LEU A 23 0.885 -1.957 0.680 1.00 0.00 N ATOM 314 CA LEU A 23 -0.515 -1.914 0.974 1.00 0.00 C ATOM 315 C LEU A 23 -1.304 -1.821 -0.324 1.00 0.00 C ATOM 316 O LEU A 23 -0.694 -1.582 -1.362 1.00 0.00 O ATOM 317 CB LEU A 23 -0.854 -0.774 1.938 1.00 0.00 C ATOM 318 CG LEU A 23 0.035 0.318 2.538 1.00 0.00 C ATOM 319 CD1 LEU A 23 -0.634 1.682 2.265 1.00 0.00 C ATOM 320 CD2 LEU A 23 0.031 0.250 4.076 1.00 0.00 C ATOM 0 H LEU A 23 1.125 -1.566 -0.231 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.798 -2.835 1.483 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.656 -0.228 1.442 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.294 -1.271 2.802 1.00 0.00 H new ATOM 0 HG LEU A 23 1.032 0.194 2.116 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.019 2.479 2.683 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.736 1.829 1.190 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.620 1.703 2.729 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.670 1.037 4.477 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.986 0.387 4.444 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.406 -0.721 4.398 1.00 0.00 H new ATOM 331 N ILE A 24 -2.633 -1.992 -0.274 1.00 0.00 N ATOM 332 CA ILE A 24 -3.500 -1.705 -1.417 1.00 0.00 C ATOM 333 C ILE A 24 -4.517 -0.626 -1.056 1.00 0.00 C ATOM 334 O ILE A 24 -5.302 -0.817 -0.127 1.00 0.00 O ATOM 335 CB ILE A 24 -4.230 -2.947 -1.969 1.00 0.00 C ATOM 336 CG1 ILE A 24 -3.281 -4.084 -2.358 1.00 0.00 C ATOM 337 CG2 ILE A 24 -5.098 -2.585 -3.183 1.00 0.00 C ATOM 338 CD1 ILE A 24 -3.990 -5.438 -2.208 1.00 0.00 C ATOM 0 H ILE A 24 -3.129 -2.329 0.551 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.842 -1.351 -2.211 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.858 -3.302 -1.152 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.946 -3.952 -3.387 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.392 -4.058 -1.727 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.600 -3.480 -3.551 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -5.843 -1.845 -2.890 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.468 -2.173 -3.971 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.306 -6.240 -2.487 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.303 -5.572 -1.173 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.865 -5.465 -2.858 1.00 0.00 H new ATOM 349 N LEU A 25 -4.530 0.475 -1.808 1.00 0.00 N ATOM 350 CA LEU A 25 -5.581 1.489 -1.739 1.00 0.00 C ATOM 351 C LEU A 25 -6.296 1.527 -3.108 1.00 0.00 C ATOM 352 O LEU A 25 -5.713 1.899 -4.128 1.00 0.00 O ATOM 353 CB LEU A 25 -5.093 2.870 -1.243 1.00 0.00 C ATOM 354 CG LEU A 25 -3.939 2.912 -0.227 1.00 0.00 C ATOM 355 CD1 LEU A 25 -3.609 4.375 0.086 1.00 0.00 C ATOM 356 CD2 LEU A 25 -4.277 2.214 1.085 1.00 0.00 C ATOM 0 H LEU A 25 -3.802 0.690 -2.490 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.299 1.207 -0.969 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.790 3.449 -2.115 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.945 3.385 -0.800 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.096 2.389 -0.678 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.792 4.418 0.806 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.312 4.885 -0.830 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.488 4.864 0.506 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.424 2.277 1.761 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.140 2.698 1.543 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.509 1.167 0.891 1.00 0.00 H new ATOM 367 N HIS A 26 -7.560 1.106 -3.166 1.00 0.00 N ATOM 368 CA HIS A 26 -8.407 1.214 -4.361 1.00 0.00 C ATOM 369 C HIS A 26 -7.796 0.427 -5.556 1.00 0.00 C ATOM 370 O HIS A 26 -7.594 0.943 -6.665 1.00 0.00 O ATOM 371 CB HIS A 26 -8.738 2.700 -4.660 1.00 0.00 C ATOM 372 CG HIS A 26 -8.606 3.686 -3.508 1.00 0.00 C ATOM 373 ND1 HIS A 26 -9.567 4.133 -2.619 1.00 0.00 N ATOM 374 CD2 HIS A 26 -7.451 4.355 -3.201 1.00 0.00 C ATOM 375 CE1 HIS A 26 -8.968 5.007 -1.789 1.00 0.00 C ATOM 376 NE2 HIS A 26 -7.677 5.177 -2.102 1.00 0.00 N ATOM 0 H HIS A 26 -8.034 0.673 -2.373 1.00 0.00 H new ATOM 0 HA HIS A 26 -9.367 0.733 -4.174 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -8.088 3.035 -5.468 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -9.761 2.750 -5.032 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -10.547 3.852 -2.597 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -6.513 4.259 -3.729 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -9.466 5.509 -0.973 1.00 0.00 H new ATOM 383 N TYR A 27 -7.434 -0.837 -5.293 1.00 0.00 N ATOM 384 CA TYR A 27 -6.709 -1.756 -6.177 1.00 0.00 C ATOM 385 C TYR A 27 -5.235 -1.406 -6.414 1.00 0.00 C ATOM 386 O TYR A 27 -4.480 -2.277 -6.846 1.00 0.00 O ATOM 387 CB TYR A 27 -7.388 -1.964 -7.534 1.00 0.00 C ATOM 388 CG TYR A 27 -8.894 -2.133 -7.513 1.00 0.00 C ATOM 389 CD1 TYR A 27 -9.452 -3.316 -6.996 1.00 0.00 C ATOM 390 CD2 TYR A 27 -9.728 -1.183 -8.130 1.00 0.00 C ATOM 391 CE1 TYR A 27 -10.809 -3.607 -7.211 1.00 0.00 C ATOM 392 CE2 TYR A 27 -11.104 -1.437 -8.269 1.00 0.00 C ATOM 393 CZ TYR A 27 -11.639 -2.657 -7.825 1.00 0.00 C ATOM 394 OH TYR A 27 -12.957 -2.931 -8.016 1.00 0.00 O ATOM 0 H TYR A 27 -7.655 -1.272 -4.397 1.00 0.00 H new ATOM 0 HA TYR A 27 -6.740 -2.687 -5.610 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -7.148 -1.112 -8.171 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -6.951 -2.846 -8.003 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -8.836 -4.002 -6.433 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -9.311 -0.257 -8.498 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -11.213 -4.560 -6.904 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -11.748 -0.695 -8.717 1.00 0.00 H new ATOM 0 HH TYR A 27 -13.390 -2.168 -8.453 1.00 0.00 H new ATOM 403 N LYS A 28 -4.815 -0.158 -6.179 1.00 0.00 N ATOM 404 CA LYS A 28 -3.430 0.222 -6.421 1.00 0.00 C ATOM 405 C LYS A 28 -2.551 -0.260 -5.274 1.00 0.00 C ATOM 406 O LYS A 28 -3.007 -0.223 -4.139 1.00 0.00 O ATOM 407 CB LYS A 28 -3.283 1.718 -6.682 1.00 0.00 C ATOM 408 CG LYS A 28 -4.328 2.277 -7.639 1.00 0.00 C ATOM 409 CD LYS A 28 -4.429 1.554 -8.980 1.00 0.00 C ATOM 410 CE LYS A 28 -5.692 2.007 -9.717 1.00 0.00 C ATOM 411 NZ LYS A 28 -6.833 1.155 -9.331 1.00 0.00 N ATOM 0 H LYS A 28 -5.409 0.593 -5.827 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.092 -0.270 -7.333 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.349 2.252 -5.734 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.290 1.911 -7.088 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.302 2.242 -7.150 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.103 3.327 -7.826 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.548 1.766 -9.585 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -4.456 0.476 -8.822 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -5.908 3.049 -9.479 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -5.534 1.952 -10.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -7.720 1.602 -9.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -6.739 0.223 -9.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.845 1.039 -8.298 1.00 0.00 H new ATOM 421 N VAL A 29 -1.328 -0.719 -5.552 1.00 0.00 N ATOM 422 CA VAL A 29 -0.371 -1.162 -4.538 1.00 0.00 C ATOM 423 C VAL A 29 0.580 -0.015 -4.170 1.00 0.00 C ATOM 424 O VAL A 29 0.991 0.751 -5.046 1.00 0.00 O ATOM 425 CB VAL A 29 0.412 -2.387 -5.020 1.00 0.00 C ATOM 426 CG1 VAL A 29 1.436 -2.828 -3.977 1.00 0.00 C ATOM 427 CG2 VAL A 29 -0.515 -3.587 -5.137 1.00 0.00 C ATOM 0 H VAL A 29 -0.970 -0.794 -6.504 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.925 -1.453 -3.646 1.00 0.00 H new ATOM 0 HB VAL A 29 0.874 -2.102 -5.965 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.978 -3.699 -4.345 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.139 -2.016 -3.791 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.924 -3.084 -3.050 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.052 -4.452 -5.480 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.954 -3.804 -4.163 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.308 -3.366 -5.851 1.00 0.00 H new ATOM 437 N TYR A 30 0.938 0.085 -2.885 1.00 0.00 N ATOM 438 CA TYR A 30 1.609 1.206 -2.267 1.00 0.00 C ATOM 439 C TYR A 30 2.768 0.777 -1.370 1.00 0.00 C ATOM 440 O TYR A 30 2.483 0.236 -0.315 1.00 0.00 O ATOM 441 CB TYR A 30 0.526 1.796 -1.380 1.00 0.00 C ATOM 442 CG TYR A 30 -0.498 2.608 -2.113 1.00 0.00 C ATOM 443 CD1 TYR A 30 -1.603 1.928 -2.623 1.00 0.00 C ATOM 444 CD2 TYR A 30 -0.345 3.985 -2.347 1.00 0.00 C ATOM 445 CE1 TYR A 30 -2.599 2.632 -3.297 1.00 0.00 C ATOM 446 CE2 TYR A 30 -1.364 4.684 -3.021 1.00 0.00 C ATOM 447 CZ TYR A 30 -2.500 4.011 -3.479 1.00 0.00 C ATOM 448 OH TYR A 30 -3.509 4.681 -4.096 1.00 0.00 O ATOM 0 H TYR A 30 0.751 -0.665 -2.220 1.00 0.00 H new ATOM 0 HA TYR A 30 2.030 1.878 -3.015 1.00 0.00 H new ATOM 0 HB2 TYR A 30 0.021 0.985 -0.855 1.00 0.00 H new ATOM 0 HB3 TYR A 30 0.995 2.423 -0.622 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -1.687 0.859 -2.496 1.00 0.00 H new ATOM 0 HD2 TYR A 30 0.544 4.501 -2.014 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.458 2.103 -3.683 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -1.267 5.747 -3.185 1.00 0.00 H new ATOM 0 HH TYR A 30 -3.287 5.634 -4.144 1.00 0.00 H new ATOM 457 N ASP A 31 4.016 1.094 -1.721 1.00 0.00 N ATOM 458 CA ASP A 31 5.237 0.740 -0.966 1.00 0.00 C ATOM 459 C ASP A 31 5.774 1.976 -0.252 1.00 0.00 C ATOM 460 O ASP A 31 6.226 2.926 -0.893 1.00 0.00 O ATOM 461 CB ASP A 31 6.360 0.169 -1.846 1.00 0.00 C ATOM 462 CG ASP A 31 7.572 -0.324 -1.033 1.00 0.00 C ATOM 463 OD1 ASP A 31 7.738 0.078 0.145 1.00 0.00 O ATOM 464 OD2 ASP A 31 8.302 -1.173 -1.590 1.00 0.00 O ATOM 0 H ASP A 31 4.220 1.624 -2.569 1.00 0.00 H new ATOM 0 HA ASP A 31 4.942 -0.037 -0.261 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.966 -0.658 -2.437 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.688 0.935 -2.548 1.00 0.00 H new ATOM 468 N LEU A 32 5.699 1.970 1.074 1.00 0.00 N ATOM 469 CA LEU A 32 5.892 3.176 1.863 1.00 0.00 C ATOM 470 C LEU A 32 7.237 3.155 2.576 1.00 0.00 C ATOM 471 O LEU A 32 8.182 3.784 2.104 1.00 0.00 O ATOM 472 CB LEU A 32 4.638 3.346 2.726 1.00 0.00 C ATOM 473 CG LEU A 32 3.423 3.090 1.816 1.00 0.00 C ATOM 474 CD1 LEU A 32 2.105 3.405 2.459 1.00 0.00 C ATOM 475 CD2 LEU A 32 3.373 4.004 0.604 1.00 0.00 C ATOM 0 H LEU A 32 5.504 1.135 1.627 1.00 0.00 H new ATOM 0 HA LEU A 32 5.976 4.080 1.259 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.648 2.646 3.561 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.596 4.349 3.151 1.00 0.00 H new ATOM 0 HG LEU A 32 3.555 2.035 1.577 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.298 3.199 1.755 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.977 2.788 3.348 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.080 4.458 2.741 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.492 3.769 0.007 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.322 5.042 0.933 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.269 3.858 0.001 1.00 0.00 H new ATOM 486 N THR A 33 7.336 2.455 3.706 1.00 0.00 N ATOM 487 CA THR A 33 8.608 2.101 4.345 1.00 0.00 C ATOM 488 C THR A 33 9.391 3.249 5.005 1.00 0.00 C ATOM 489 O THR A 33 9.833 3.107 6.140 1.00 0.00 O ATOM 490 CB THR A 33 9.451 1.283 3.345 1.00 0.00 C ATOM 491 OG1 THR A 33 8.610 0.359 2.670 1.00 0.00 O ATOM 492 CG2 THR A 33 10.517 0.476 4.088 1.00 0.00 C ATOM 0 H THR A 33 6.521 2.111 4.214 1.00 0.00 H new ATOM 0 HA THR A 33 8.358 1.494 5.215 1.00 0.00 H new ATOM 0 HB THR A 33 9.921 1.973 2.644 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.525 0.621 1.729 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.105 -0.097 3.371 1.00 0.00 H new ATOM 0 HG22 THR A 33 11.172 1.155 4.635 1.00 0.00 H new ATOM 0 HG23 THR A 33 10.035 -0.206 4.789 1.00 0.00 H new ATOM 500 N LYS A 34 9.547 4.388 4.335 1.00 0.00 N ATOM 501 CA LYS A 34 10.070 5.626 4.906 1.00 0.00 C ATOM 502 C LYS A 34 8.960 6.573 5.318 1.00 0.00 C ATOM 503 O LYS A 34 9.079 7.294 6.301 1.00 0.00 O ATOM 504 CB LYS A 34 10.915 6.337 3.848 1.00 0.00 C ATOM 505 CG LYS A 34 12.181 5.524 3.619 1.00 0.00 C ATOM 506 CD LYS A 34 13.145 6.301 2.720 1.00 0.00 C ATOM 507 CE LYS A 34 14.445 5.509 2.548 1.00 0.00 C ATOM 508 NZ LYS A 34 15.437 6.278 1.769 1.00 0.00 N ATOM 0 H LYS A 34 9.305 4.477 3.348 1.00 0.00 H new ATOM 0 HA LYS A 34 10.655 5.363 5.788 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.354 6.436 2.918 1.00 0.00 H new ATOM 0 HB3 LYS A 34 11.166 7.345 4.178 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.659 5.303 4.573 1.00 0.00 H new ATOM 0 HG3 LYS A 34 11.931 4.568 3.158 1.00 0.00 H new ATOM 0 HD2 LYS A 34 12.686 6.480 1.748 1.00 0.00 H new ATOM 0 HD3 LYS A 34 13.358 7.277 3.157 1.00 0.00 H new ATOM 0 HE2 LYS A 34 14.857 5.264 3.527 1.00 0.00 H new ATOM 0 HE3 LYS A 34 14.236 4.565 2.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 16.308 5.719 1.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 15.050 6.490 0.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 15.653 7.167 2.263 1.00 0.00 H new ATOM 518 N PHE A 35 7.852 6.568 4.575 1.00 0.00 N ATOM 519 CA PHE A 35 6.732 7.440 4.930 1.00 0.00 C ATOM 520 C PHE A 35 6.285 7.173 6.370 1.00 0.00 C ATOM 521 O PHE A 35 5.910 8.086 7.098 1.00 0.00 O ATOM 522 CB PHE A 35 5.578 7.317 3.943 1.00 0.00 C ATOM 523 CG PHE A 35 4.428 8.235 4.298 1.00 0.00 C ATOM 524 CD1 PHE A 35 4.668 9.608 4.514 1.00 0.00 C ATOM 525 CD2 PHE A 35 3.140 7.712 4.499 1.00 0.00 C ATOM 526 CE1 PHE A 35 3.620 10.458 4.892 1.00 0.00 C ATOM 527 CE2 PHE A 35 2.089 8.566 4.866 1.00 0.00 C ATOM 528 CZ PHE A 35 2.328 9.941 5.053 1.00 0.00 C ATOM 0 H PHE A 35 7.707 5.989 3.748 1.00 0.00 H new ATOM 0 HA PHE A 35 7.076 8.472 4.869 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.933 7.552 2.939 1.00 0.00 H new ATOM 0 HB3 PHE A 35 5.226 6.286 3.924 1.00 0.00 H new ATOM 0 HD1 PHE A 35 5.664 10.006 4.387 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.959 6.655 4.371 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.808 11.508 5.059 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.095 8.168 5.005 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.514 10.598 5.321 1.00 0.00 H new ATOM 537 N LEU A 36 6.409 5.905 6.769 1.00 0.00 N ATOM 538 CA LEU A 36 6.357 5.410 8.137 1.00 0.00 C ATOM 539 C LEU A 36 6.909 6.457 9.131 1.00 0.00 C ATOM 540 O LEU A 36 6.203 6.884 10.040 1.00 0.00 O ATOM 541 CB LEU A 36 7.198 4.115 8.153 1.00 0.00 C ATOM 542 CG LEU A 36 6.734 2.999 7.203 1.00 0.00 C ATOM 543 CD1 LEU A 36 7.380 1.682 7.662 1.00 0.00 C ATOM 544 CD2 LEU A 36 5.227 2.753 7.165 1.00 0.00 C ATOM 0 H LEU A 36 6.558 5.152 6.098 1.00 0.00 H new ATOM 0 HA LEU A 36 5.331 5.214 8.450 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.228 4.371 7.905 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.203 3.721 9.169 1.00 0.00 H new ATOM 0 HG LEU A 36 7.030 3.325 6.206 1.00 0.00 H new ATOM 0 HD11 LEU A 36 7.066 0.873 7.002 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.465 1.778 7.627 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.068 1.460 8.683 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.007 1.947 6.465 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.879 2.475 8.160 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.718 3.662 6.843 1.00 0.00 H new ATOM 555 N GLU A 37 8.145 6.924 8.905 1.00 0.00 N ATOM 556 CA GLU A 37 8.862 7.895 9.729 1.00 0.00 C ATOM 557 C GLU A 37 8.092 9.221 9.919 1.00 0.00 C ATOM 558 O GLU A 37 8.198 9.861 10.962 1.00 0.00 O ATOM 559 CB GLU A 37 10.236 8.169 9.082 1.00 0.00 C ATOM 560 CG GLU A 37 11.103 6.913 8.849 1.00 0.00 C ATOM 561 CD GLU A 37 12.382 7.217 8.068 1.00 0.00 C ATOM 562 OE1 GLU A 37 13.256 7.890 8.653 1.00 0.00 O ATOM 563 OE2 GLU A 37 12.471 6.764 6.904 1.00 0.00 O ATOM 0 H GLU A 37 8.695 6.617 8.102 1.00 0.00 H new ATOM 0 HA GLU A 37 8.976 7.465 10.724 1.00 0.00 H new ATOM 0 HB2 GLU A 37 10.079 8.667 8.125 1.00 0.00 H new ATOM 0 HB3 GLU A 37 10.789 8.863 9.716 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.365 6.474 9.811 1.00 0.00 H new ATOM 0 HG3 GLU A 37 10.519 6.169 8.307 1.00 0.00 H new ATOM 568 N GLU A 38 7.352 9.647 8.889 1.00 0.00 N ATOM 569 CA GLU A 38 6.679 10.944 8.793 1.00 0.00 C ATOM 570 C GLU A 38 5.204 10.871 9.237 1.00 0.00 C ATOM 571 O GLU A 38 4.697 11.747 9.935 1.00 0.00 O ATOM 572 CB GLU A 38 6.791 11.384 7.323 1.00 0.00 C ATOM 573 CG GLU A 38 6.272 12.805 7.045 1.00 0.00 C ATOM 574 CD GLU A 38 7.216 13.894 7.543 1.00 0.00 C ATOM 575 OE1 GLU A 38 8.311 13.998 6.950 1.00 0.00 O ATOM 576 OE2 GLU A 38 6.816 14.612 8.483 1.00 0.00 O ATOM 0 H GLU A 38 7.200 9.069 8.062 1.00 0.00 H new ATOM 0 HA GLU A 38 7.151 11.663 9.462 1.00 0.00 H new ATOM 0 HB2 GLU A 38 7.836 11.325 7.017 1.00 0.00 H new ATOM 0 HB3 GLU A 38 6.237 10.680 6.702 1.00 0.00 H new ATOM 0 HG2 GLU A 38 6.120 12.927 5.973 1.00 0.00 H new ATOM 0 HG3 GLU A 38 5.299 12.930 7.521 1.00 0.00 H new ATOM 581 N HIS A 39 4.496 9.829 8.792 1.00 0.00 N ATOM 582 CA HIS A 39 3.049 9.678 8.896 1.00 0.00 C ATOM 583 C HIS A 39 2.471 9.925 10.303 1.00 0.00 C ATOM 584 O HIS A 39 2.677 9.105 11.200 1.00 0.00 O ATOM 585 CB HIS A 39 2.684 8.271 8.419 1.00 0.00 C ATOM 586 CG HIS A 39 1.199 8.019 8.357 1.00 0.00 C ATOM 587 ND1 HIS A 39 0.555 6.922 8.874 1.00 0.00 N ATOM 588 CD2 HIS A 39 0.284 8.740 7.639 1.00 0.00 C ATOM 589 CE1 HIS A 39 -0.718 6.970 8.436 1.00 0.00 C ATOM 590 NE2 HIS A 39 -0.935 8.064 7.675 1.00 0.00 N ATOM 0 H HIS A 39 4.939 9.035 8.330 1.00 0.00 H new ATOM 0 HA HIS A 39 2.603 10.452 8.271 1.00 0.00 H new ATOM 0 HB2 HIS A 39 3.113 8.110 7.430 1.00 0.00 H new ATOM 0 HB3 HIS A 39 3.140 7.541 9.087 1.00 0.00 H new ATOM 0 HD1 HIS A 39 0.963 6.206 9.476 1.00 0.00 H new ATOM 0 HD2 HIS A 39 0.474 9.674 7.131 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -1.469 6.228 8.664 1.00 0.00 H new ATOM 597 N PRO A 40 1.657 10.979 10.505 1.00 0.00 N ATOM 598 CA PRO A 40 1.070 11.283 11.807 1.00 0.00 C ATOM 599 C PRO A 40 0.098 10.195 12.289 1.00 0.00 C ATOM 600 O PRO A 40 -0.118 10.051 13.489 1.00 0.00 O ATOM 601 CB PRO A 40 0.403 12.652 11.648 1.00 0.00 C ATOM 602 CG PRO A 40 0.071 12.705 10.159 1.00 0.00 C ATOM 603 CD PRO A 40 1.228 11.953 9.514 1.00 0.00 C ATOM 0 HA PRO A 40 1.832 11.308 12.586 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -0.492 12.738 12.264 1.00 0.00 H new ATOM 0 HB3 PRO A 40 1.071 13.462 11.941 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -0.887 12.231 9.943 1.00 0.00 H new ATOM 0 HG3 PRO A 40 0.007 13.731 9.798 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.913 11.463 8.593 1.00 0.00 H new ATOM 0 HD3 PRO A 40 2.040 12.631 9.253 1.00 0.00 H new ATOM 608 N GLY A 41 -0.459 9.396 11.372 1.00 0.00 N ATOM 609 CA GLY A 41 -1.207 8.189 11.721 1.00 0.00 C ATOM 610 C GLY A 41 -0.370 7.167 12.513 1.00 0.00 C ATOM 611 O GLY A 41 -0.935 6.379 13.267 1.00 0.00 O ATOM 0 H GLY A 41 -0.402 9.570 10.369 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.081 8.468 12.310 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.574 7.720 10.808 1.00 0.00 H new ATOM 615 N GLY A 42 0.958 7.153 12.320 1.00 0.00 N ATOM 616 CA GLY A 42 1.896 6.195 12.912 1.00 0.00 C ATOM 617 C GLY A 42 2.564 5.329 11.837 1.00 0.00 C ATOM 618 O GLY A 42 2.102 5.305 10.688 1.00 0.00 O ATOM 0 H GLY A 42 1.423 7.837 11.723 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.659 6.732 13.475 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.368 5.556 13.620 1.00 0.00 H new ATOM 622 N GLU A 43 3.609 4.578 12.210 1.00 0.00 N ATOM 623 CA GLU A 43 4.195 3.572 11.324 1.00 0.00 C ATOM 624 C GLU A 43 3.302 2.335 11.369 1.00 0.00 C ATOM 625 O GLU A 43 2.841 1.805 10.358 1.00 0.00 O ATOM 626 CB GLU A 43 5.607 3.133 11.763 1.00 0.00 C ATOM 627 CG GLU A 43 6.621 4.224 12.122 1.00 0.00 C ATOM 628 CD GLU A 43 7.995 3.631 12.430 1.00 0.00 C ATOM 629 OE1 GLU A 43 8.402 2.722 11.674 1.00 0.00 O ATOM 630 OE2 GLU A 43 8.605 4.085 13.421 1.00 0.00 O ATOM 0 H GLU A 43 4.064 4.651 13.120 1.00 0.00 H new ATOM 0 HA GLU A 43 4.271 4.012 10.330 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.499 2.480 12.629 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.034 2.531 10.961 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.705 4.930 11.296 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.263 4.785 12.986 1.00 0.00 H new ATOM 635 N GLU A 44 3.038 1.889 12.596 1.00 0.00 N ATOM 636 CA GLU A 44 2.246 0.724 12.922 1.00 0.00 C ATOM 637 C GLU A 44 0.871 0.845 12.314 1.00 0.00 C ATOM 638 O GLU A 44 0.340 -0.118 11.792 1.00 0.00 O ATOM 639 CB GLU A 44 2.168 0.455 14.425 1.00 0.00 C ATOM 640 CG GLU A 44 1.952 1.688 15.331 1.00 0.00 C ATOM 641 CD GLU A 44 3.184 2.566 15.525 1.00 0.00 C ATOM 642 OE1 GLU A 44 3.969 2.241 16.439 1.00 0.00 O ATOM 643 OE2 GLU A 44 3.329 3.512 14.714 1.00 0.00 O ATOM 0 H GLU A 44 3.394 2.362 13.427 1.00 0.00 H new ATOM 0 HA GLU A 44 2.751 -0.140 12.490 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.355 -0.248 14.605 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.090 -0.038 14.733 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.153 2.297 14.907 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.609 1.347 16.308 1.00 0.00 H new ATOM 648 N HIS A 45 0.312 2.044 12.295 1.00 0.00 N ATOM 649 CA HIS A 45 -0.989 2.239 11.697 1.00 0.00 C ATOM 650 C HIS A 45 -1.017 1.950 10.194 1.00 0.00 C ATOM 651 O HIS A 45 -2.074 1.635 9.654 1.00 0.00 O ATOM 652 CB HIS A 45 -1.471 3.636 12.073 1.00 0.00 C ATOM 653 CG HIS A 45 -2.967 3.807 11.999 1.00 0.00 C ATOM 654 ND1 HIS A 45 -3.814 3.200 11.099 1.00 0.00 N ATOM 655 CD2 HIS A 45 -3.743 4.501 12.888 1.00 0.00 C ATOM 656 CE1 HIS A 45 -5.072 3.530 11.434 1.00 0.00 C ATOM 657 NE2 HIS A 45 -5.080 4.328 12.513 1.00 0.00 N ATOM 0 H HIS A 45 0.737 2.886 12.684 1.00 0.00 H new ATOM 0 HA HIS A 45 -1.690 1.505 12.095 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -1.139 3.864 13.086 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -0.999 4.363 11.412 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -3.536 2.606 10.318 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.387 5.079 13.728 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -5.955 3.199 10.908 1.00 0.00 H new ATOM 664 N LEU A 46 0.136 1.996 9.524 1.00 0.00 N ATOM 665 CA LEU A 46 0.274 1.523 8.155 1.00 0.00 C ATOM 666 C LEU A 46 0.710 0.062 8.140 1.00 0.00 C ATOM 667 O LEU A 46 0.272 -0.718 7.302 1.00 0.00 O ATOM 668 CB LEU A 46 1.306 2.389 7.415 1.00 0.00 C ATOM 669 CG LEU A 46 0.917 3.871 7.331 1.00 0.00 C ATOM 670 CD1 LEU A 46 2.097 4.696 6.811 1.00 0.00 C ATOM 671 CD2 LEU A 46 -0.278 4.069 6.400 1.00 0.00 C ATOM 0 H LEU A 46 1.000 2.364 9.921 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.690 1.601 7.652 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.269 2.303 7.919 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.438 1.999 6.406 1.00 0.00 H new ATOM 0 HG LEU A 46 0.646 4.204 8.333 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.810 5.746 6.755 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.944 4.587 7.488 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.378 4.343 5.819 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.534 5.128 6.357 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.023 3.717 5.401 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.131 3.504 6.777 1.00 0.00 H new ATOM 682 N ARG A 47 1.570 -0.315 9.081 1.00 0.00 N ATOM 683 CA ARG A 47 2.266 -1.597 9.065 1.00 0.00 C ATOM 684 C ARG A 47 1.337 -2.740 9.452 1.00 0.00 C ATOM 685 O ARG A 47 1.344 -3.808 8.852 1.00 0.00 O ATOM 686 CB ARG A 47 3.465 -1.491 9.997 1.00 0.00 C ATOM 687 CG ARG A 47 4.533 -2.565 9.741 1.00 0.00 C ATOM 688 CD ARG A 47 4.345 -3.780 10.657 1.00 0.00 C ATOM 689 NE ARG A 47 4.563 -3.408 12.070 1.00 0.00 N ATOM 690 CZ ARG A 47 5.743 -3.132 12.642 1.00 0.00 C ATOM 691 NH1 ARG A 47 6.887 -3.523 12.097 1.00 0.00 N ATOM 692 NH2 ARG A 47 5.782 -2.445 13.778 1.00 0.00 N ATOM 0 H ARG A 47 1.806 0.267 9.885 1.00 0.00 H new ATOM 0 HA ARG A 47 2.610 -1.825 8.056 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.917 -0.506 9.885 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.122 -1.569 11.029 1.00 0.00 H new ATOM 0 HG2 ARG A 47 4.487 -2.884 8.700 1.00 0.00 H new ATOM 0 HG3 ARG A 47 5.523 -2.139 9.900 1.00 0.00 H new ATOM 0 HD2 ARG A 47 3.340 -4.183 10.533 1.00 0.00 H new ATOM 0 HD3 ARG A 47 5.042 -4.568 10.372 1.00 0.00 H new ATOM 0 HE ARG A 47 3.737 -3.356 12.667 1.00 0.00 H new ATOM 0 HH11 ARG A 47 6.882 -4.047 11.222 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.772 -3.300 12.553 1.00 0.00 H new ATOM 0 HH21 ARG A 47 4.915 -2.129 14.213 1.00 0.00 H new ATOM 0 HH22 ARG A 47 6.679 -2.234 14.216 1.00 0.00 H new ATOM 703 N GLU A 48 0.531 -2.471 10.471 1.00 0.00 N ATOM 704 CA GLU A 48 -0.610 -3.290 10.887 1.00 0.00 C ATOM 705 C GLU A 48 -1.447 -3.757 9.677 1.00 0.00 C ATOM 706 O GLU A 48 -1.715 -4.947 9.524 1.00 0.00 O ATOM 707 CB GLU A 48 -1.434 -2.456 11.874 1.00 0.00 C ATOM 708 CG GLU A 48 -2.603 -3.219 12.526 1.00 0.00 C ATOM 709 CD GLU A 48 -3.860 -3.314 11.671 1.00 0.00 C ATOM 710 OE1 GLU A 48 -4.025 -2.445 10.788 1.00 0.00 O ATOM 711 OE2 GLU A 48 -4.652 -4.244 11.928 1.00 0.00 O ATOM 0 H GLU A 48 0.656 -1.645 11.056 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.266 -4.204 11.371 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.774 -2.086 12.659 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.830 -1.584 11.353 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.269 -4.228 12.770 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.857 -2.731 13.467 1.00 0.00 H new ATOM 716 N GLN A 49 -1.808 -2.822 8.788 1.00 0.00 N ATOM 717 CA GLN A 49 -2.523 -3.123 7.547 1.00 0.00 C ATOM 718 C GLN A 49 -1.604 -3.746 6.493 1.00 0.00 C ATOM 719 O GLN A 49 -2.031 -4.562 5.680 1.00 0.00 O ATOM 720 CB GLN A 49 -3.068 -1.831 6.920 1.00 0.00 C ATOM 721 CG GLN A 49 -4.281 -1.161 7.564 1.00 0.00 C ATOM 722 CD GLN A 49 -5.509 -2.066 7.648 1.00 0.00 C ATOM 723 OE1 GLN A 49 -6.411 -1.996 6.824 1.00 0.00 O ATOM 724 NE2 GLN A 49 -5.614 -2.877 8.685 1.00 0.00 N ATOM 0 H GLN A 49 -1.609 -1.829 8.913 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.319 -3.817 7.817 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.257 -1.103 6.904 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.322 -2.048 5.882 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.013 -0.833 8.568 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -4.537 -0.268 6.994 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.859 -2.931 9.369 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -6.450 -3.449 8.802 1.00 0.00 H new ATOM 731 N ALA A 50 -0.365 -3.257 6.437 1.00 0.00 N ATOM 732 CA ALA A 50 0.565 -3.531 5.353 1.00 0.00 C ATOM 733 C ALA A 50 0.710 -5.013 4.983 1.00 0.00 C ATOM 734 O ALA A 50 0.597 -5.917 5.809 1.00 0.00 O ATOM 735 CB ALA A 50 1.952 -2.988 5.701 1.00 0.00 C ATOM 0 H ALA A 50 0.023 -2.649 7.159 1.00 0.00 H new ATOM 0 HA ALA A 50 0.136 -3.030 4.485 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.641 -3.198 4.883 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.892 -1.911 5.857 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.313 -3.467 6.611 1.00 0.00 H new ATOM 741 N GLY A 51 1.006 -5.239 3.707 1.00 0.00 N ATOM 742 CA GLY A 51 1.039 -6.567 3.092 1.00 0.00 C ATOM 743 C GLY A 51 -0.180 -6.828 2.200 1.00 0.00 C ATOM 744 O GLY A 51 -0.321 -7.916 1.638 1.00 0.00 O ATOM 0 H GLY A 51 1.235 -4.489 3.055 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.948 -6.667 2.499 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.083 -7.325 3.874 1.00 0.00 H new ATOM 748 N GLY A 52 -1.036 -5.810 2.047 1.00 0.00 N ATOM 749 CA GLY A 52 -2.132 -5.767 1.091 1.00 0.00 C ATOM 750 C GLY A 52 -3.458 -5.374 1.734 1.00 0.00 C ATOM 751 O GLY A 52 -3.850 -5.918 2.760 1.00 0.00 O ATOM 0 H GLY A 52 -0.975 -4.963 2.612 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.891 -5.056 0.300 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.237 -6.744 0.620 1.00 0.00 H new ATOM 755 N ASP A 53 -4.123 -4.418 1.086 1.00 0.00 N ATOM 756 CA ASP A 53 -5.386 -3.823 1.483 1.00 0.00 C ATOM 757 C ASP A 53 -5.326 -2.969 2.758 1.00 0.00 C ATOM 758 O ASP A 53 -5.149 -3.437 3.879 1.00 0.00 O ATOM 759 CB ASP A 53 -6.560 -4.800 1.426 1.00 0.00 C ATOM 760 CG ASP A 53 -7.899 -4.060 1.516 1.00 0.00 C ATOM 761 OD1 ASP A 53 -7.886 -2.804 1.477 1.00 0.00 O ATOM 762 OD2 ASP A 53 -8.923 -4.767 1.589 1.00 0.00 O ATOM 0 H ASP A 53 -3.767 -4.018 0.218 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.597 -3.087 0.707 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.518 -5.370 0.498 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.481 -5.516 2.244 1.00 0.00 H new ATOM 766 N ALA A 54 -5.476 -1.669 2.530 1.00 0.00 N ATOM 767 CA ALA A 54 -5.725 -0.653 3.529 1.00 0.00 C ATOM 768 C ALA A 54 -6.714 0.339 2.917 1.00 0.00 C ATOM 769 O ALA A 54 -6.758 1.505 3.299 1.00 0.00 O ATOM 770 CB ALA A 54 -4.387 -0.031 3.922 1.00 0.00 C ATOM 0 H ALA A 54 -5.423 -1.281 1.588 1.00 0.00 H new ATOM 0 HA ALA A 54 -6.167 -1.042 4.446 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.551 0.739 4.676 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.732 -0.802 4.328 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.921 0.415 3.043 1.00 0.00 H new ATOM 776 N THR A 55 -7.509 -0.135 1.950 1.00 0.00 N ATOM 777 CA THR A 55 -8.408 0.687 1.163 1.00 0.00 C ATOM 778 C THR A 55 -9.551 1.121 2.064 1.00 0.00 C ATOM 779 O THR A 55 -9.830 2.310 2.173 1.00 0.00 O ATOM 780 CB THR A 55 -8.916 -0.105 -0.050 1.00 0.00 C ATOM 781 OG1 THR A 55 -7.872 -0.496 -0.912 1.00 0.00 O ATOM 782 CG2 THR A 55 -9.866 0.754 -0.891 1.00 0.00 C ATOM 0 H THR A 55 -7.539 -1.122 1.695 1.00 0.00 H new ATOM 0 HA THR A 55 -7.895 1.569 0.780 1.00 0.00 H new ATOM 0 HB THR A 55 -9.413 -0.985 0.358 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.050 -0.622 -0.394 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.217 0.177 -1.747 1.00 0.00 H new ATOM 0 HG22 THR A 55 -10.719 1.056 -0.283 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.339 1.641 -1.243 1.00 0.00 H new ATOM 790 N GLU A 56 -10.161 0.161 2.761 1.00 0.00 N ATOM 791 CA GLU A 56 -11.180 0.448 3.759 1.00 0.00 C ATOM 792 C GLU A 56 -10.633 1.394 4.836 1.00 0.00 C ATOM 793 O GLU A 56 -11.168 2.482 5.036 1.00 0.00 O ATOM 794 CB GLU A 56 -11.705 -0.876 4.326 1.00 0.00 C ATOM 795 CG GLU A 56 -12.855 -0.651 5.319 1.00 0.00 C ATOM 796 CD GLU A 56 -13.464 -1.963 5.794 1.00 0.00 C ATOM 797 OE1 GLU A 56 -12.895 -2.537 6.746 1.00 0.00 O ATOM 798 OE2 GLU A 56 -14.478 -2.370 5.186 1.00 0.00 O ATOM 0 H GLU A 56 -9.960 -0.832 2.647 1.00 0.00 H new ATOM 0 HA GLU A 56 -12.021 0.971 3.305 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -12.048 -1.511 3.509 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.893 -1.407 4.823 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.487 -0.090 6.178 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.627 -0.043 4.848 1.00 0.00 H new ATOM 803 N ASN A 57 -9.515 1.013 5.470 1.00 0.00 N ATOM 804 CA ASN A 57 -8.889 1.813 6.526 1.00 0.00 C ATOM 805 C ASN A 57 -8.631 3.253 6.066 1.00 0.00 C ATOM 806 O ASN A 57 -8.907 4.214 6.781 1.00 0.00 O ATOM 807 CB ASN A 57 -7.578 1.162 7.008 1.00 0.00 C ATOM 808 CG ASN A 57 -7.621 0.867 8.501 1.00 0.00 C ATOM 809 OD1 ASN A 57 -7.527 1.766 9.326 1.00 0.00 O ATOM 810 ND2 ASN A 57 -7.734 -0.398 8.868 1.00 0.00 N ATOM 0 H ASN A 57 -9.022 0.144 5.264 1.00 0.00 H new ATOM 0 HA ASN A 57 -9.588 1.848 7.362 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -7.405 0.237 6.458 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -6.740 1.824 6.790 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -7.744 -0.643 9.858 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -7.811 -1.129 8.161 1.00 0.00 H new ATOM 816 N PHE A 58 -8.093 3.394 4.852 1.00 0.00 N ATOM 817 CA PHE A 58 -7.823 4.698 4.264 1.00 0.00 C ATOM 818 C PHE A 58 -9.109 5.482 3.964 1.00 0.00 C ATOM 819 O PHE A 58 -9.249 6.596 4.446 1.00 0.00 O ATOM 820 CB PHE A 58 -6.957 4.522 3.015 1.00 0.00 C ATOM 821 CG PHE A 58 -6.501 5.819 2.378 1.00 0.00 C ATOM 822 CD1 PHE A 58 -5.481 6.580 2.975 1.00 0.00 C ATOM 823 CD2 PHE A 58 -7.024 6.211 1.134 1.00 0.00 C ATOM 824 CE1 PHE A 58 -4.922 7.672 2.289 1.00 0.00 C ATOM 825 CE2 PHE A 58 -6.484 7.318 0.457 1.00 0.00 C ATOM 826 CZ PHE A 58 -5.422 8.041 1.028 1.00 0.00 C ATOM 0 H PHE A 58 -7.835 2.608 4.255 1.00 0.00 H new ATOM 0 HA PHE A 58 -7.276 5.297 4.992 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -6.079 3.933 3.278 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -7.518 3.947 2.278 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -5.126 6.325 3.963 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -7.843 5.660 0.697 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -4.108 8.228 2.731 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -6.885 7.613 -0.501 1.00 0.00 H new ATOM 0 HZ PHE A 58 -4.991 8.878 0.499 1.00 0.00 H new ATOM 835 N GLU A 59 -10.024 4.916 3.167 1.00 0.00 N ATOM 836 CA GLU A 59 -11.223 5.540 2.612 1.00 0.00 C ATOM 837 C GLU A 59 -12.235 5.908 3.710 1.00 0.00 C ATOM 838 O GLU A 59 -12.870 6.959 3.632 1.00 0.00 O ATOM 839 CB GLU A 59 -11.829 4.585 1.566 1.00 0.00 C ATOM 840 CG GLU A 59 -12.767 5.278 0.559 1.00 0.00 C ATOM 841 CD GLU A 59 -12.064 5.662 -0.740 1.00 0.00 C ATOM 842 OE1 GLU A 59 -11.955 4.775 -1.618 1.00 0.00 O ATOM 843 OE2 GLU A 59 -11.600 6.824 -0.825 1.00 0.00 O ATOM 0 H GLU A 59 -9.936 3.943 2.875 1.00 0.00 H new ATOM 0 HA GLU A 59 -10.954 6.480 2.129 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.020 4.099 1.020 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.382 3.800 2.082 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -13.602 4.615 0.332 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -13.187 6.173 1.018 1.00 0.00 H new ATOM 848 N ASP A 60 -12.356 5.072 4.750 1.00 0.00 N ATOM 849 CA ASP A 60 -13.123 5.373 5.957 1.00 0.00 C ATOM 850 C ASP A 60 -12.773 6.775 6.490 1.00 0.00 C ATOM 851 O ASP A 60 -13.609 7.678 6.508 1.00 0.00 O ATOM 852 CB ASP A 60 -12.834 4.264 6.971 1.00 0.00 C ATOM 853 CG ASP A 60 -13.628 4.465 8.250 1.00 0.00 C ATOM 854 OD1 ASP A 60 -14.785 3.998 8.283 1.00 0.00 O ATOM 855 OD2 ASP A 60 -13.065 5.108 9.161 1.00 0.00 O ATOM 0 H ASP A 60 -11.914 4.153 4.772 1.00 0.00 H new ATOM 0 HA ASP A 60 -14.193 5.396 5.749 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -13.082 3.296 6.535 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -11.769 4.247 7.201 1.00 0.00 H new ATOM 859 N VAL A 61 -11.494 6.983 6.811 1.00 0.00 N ATOM 860 CA VAL A 61 -10.932 8.299 7.103 1.00 0.00 C ATOM 861 C VAL A 61 -10.338 8.865 5.801 1.00 0.00 C ATOM 862 O VAL A 61 -9.195 9.315 5.783 1.00 0.00 O ATOM 863 CB VAL A 61 -9.893 8.180 8.241 1.00 0.00 C ATOM 864 CG1 VAL A 61 -9.539 9.557 8.826 1.00 0.00 C ATOM 865 CG2 VAL A 61 -10.418 7.312 9.397 1.00 0.00 C ATOM 0 H VAL A 61 -10.811 6.228 6.876 1.00 0.00 H new ATOM 0 HA VAL A 61 -11.697 8.992 7.455 1.00 0.00 H new ATOM 0 HB VAL A 61 -9.011 7.720 7.795 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -8.806 9.436 9.624 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -9.121 10.189 8.042 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -10.438 10.024 9.228 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -9.661 7.251 10.179 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -11.325 7.759 9.804 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -10.641 6.311 9.028 1.00 0.00 H new ATOM 875 N GLY A 62 -11.093 8.811 4.691 1.00 0.00 N ATOM 876 CA GLY A 62 -10.624 9.072 3.325 1.00 0.00 C ATOM 877 C GLY A 62 -9.946 10.430 3.145 1.00 0.00 C ATOM 878 O GLY A 62 -10.574 11.404 2.729 1.00 0.00 O ATOM 0 H GLY A 62 -12.085 8.575 4.725 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.924 8.288 3.037 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -11.472 9.008 2.643 1.00 0.00 H new ATOM 882 N HIS A 63 -8.634 10.429 3.394 1.00 0.00 N ATOM 883 CA HIS A 63 -7.720 11.553 3.551 1.00 0.00 C ATOM 884 CB HIS A 63 -6.287 11.029 3.442 1.00 0.00 C ATOM 885 CG HIS A 63 -5.765 10.136 4.537 1.00 0.00 C ATOM 886 ND1 HIS A 63 -6.452 9.301 5.389 1.00 0.00 N ATOM 887 CD2 HIS A 63 -4.440 10.011 4.829 1.00 0.00 C ATOM 888 CE1 HIS A 63 -5.548 8.695 6.180 1.00 0.00 C ATOM 889 NE2 HIS A 63 -4.302 9.098 5.871 1.00 0.00 N ATOM 0 H HIS A 63 -8.138 9.544 3.501 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -6.203 10.484 2.502 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.623 11.891 3.372 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -7.463 9.166 5.416 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.633 10.532 4.335 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -5.789 7.983 6.956 1.00 0.00 H new ATOM 896 N SER A 64 -7.429 13.895 3.032 1.00 0.00 N ATOM 897 CA SER A 64 -7.189 15.122 2.285 1.00 0.00 C ATOM 898 C SER A 64 -6.627 14.882 0.874 1.00 0.00 C ATOM 899 O SER A 64 -5.782 14.007 0.677 1.00 0.00 O ATOM 900 CB SER A 64 -6.183 15.931 3.112 1.00 0.00 C ATOM 901 OG SER A 64 -6.704 16.088 4.420 1.00 0.00 O ATOM 0 HA SER A 64 -8.135 15.642 2.136 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.221 15.419 3.146 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.010 16.904 2.653 1.00 0.00 H new ATOM 0 HG SER A 64 -7.208 15.285 4.670 1.00 0.00 H new ATOM 906 N THR A 65 -7.057 15.698 -0.097 1.00 0.00 N ATOM 907 CA THR A 65 -6.522 15.734 -1.465 1.00 0.00 C ATOM 908 C THR A 65 -5.003 15.564 -1.474 1.00 0.00 C ATOM 909 O THR A 65 -4.497 14.674 -2.150 1.00 0.00 O ATOM 910 CB THR A 65 -6.893 17.065 -2.130 1.00 0.00 C ATOM 911 OG1 THR A 65 -6.550 18.122 -1.257 1.00 0.00 O ATOM 912 CG2 THR A 65 -8.393 17.149 -2.422 1.00 0.00 C ATOM 0 H THR A 65 -7.809 16.371 0.052 1.00 0.00 H new ATOM 0 HA THR A 65 -6.961 14.905 -2.021 1.00 0.00 H new ATOM 0 HB THR A 65 -6.350 17.136 -3.073 1.00 0.00 H new ATOM 0 HG1 THR A 65 -6.782 18.978 -1.673 1.00 0.00 H new ATOM 0 HG21 THR A 65 -8.619 18.106 -2.893 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.679 16.338 -3.092 1.00 0.00 H new ATOM 0 HG23 THR A 65 -8.951 17.063 -1.489 1.00 0.00 H new ATOM 920 N ASP A 66 -4.305 16.374 -0.673 1.00 0.00 N ATOM 921 CA ASP A 66 -2.889 16.254 -0.334 1.00 0.00 C ATOM 922 C ASP A 66 -2.379 14.799 -0.348 1.00 0.00 C ATOM 923 O ASP A 66 -1.451 14.465 -1.079 1.00 0.00 O ATOM 924 CB ASP A 66 -2.711 16.885 1.053 1.00 0.00 C ATOM 925 CG ASP A 66 -1.301 16.682 1.584 1.00 0.00 C ATOM 926 OD1 ASP A 66 -0.454 17.545 1.280 1.00 0.00 O ATOM 927 OD2 ASP A 66 -1.105 15.650 2.263 1.00 0.00 O ATOM 0 H ASP A 66 -4.741 17.177 -0.219 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.294 16.767 -1.089 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.930 17.951 0.999 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.428 16.447 1.747 1.00 0.00 H new ATOM 931 N ALA A 67 -3.015 13.922 0.430 1.00 0.00 N ATOM 932 CA ALA A 67 -2.593 12.536 0.592 1.00 0.00 C ATOM 933 C ALA A 67 -2.835 11.710 -0.679 1.00 0.00 C ATOM 934 O ALA A 67 -1.985 10.933 -1.109 1.00 0.00 O ATOM 935 CB ALA A 67 -3.344 11.931 1.778 1.00 0.00 C ATOM 0 H ALA A 67 -3.847 14.160 0.970 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.519 12.517 0.779 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.038 10.893 1.911 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.114 12.496 2.681 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.417 11.972 1.588 1.00 0.00 H new ATOM 941 N ARG A 68 -4.013 11.877 -1.281 1.00 0.00 N ATOM 942 CA ARG A 68 -4.399 11.214 -2.526 1.00 0.00 C ATOM 943 C ARG A 68 -3.501 11.634 -3.704 1.00 0.00 C ATOM 944 O ARG A 68 -3.147 10.816 -4.552 1.00 0.00 O ATOM 945 CB ARG A 68 -5.893 11.497 -2.769 1.00 0.00 C ATOM 946 CG ARG A 68 -6.791 10.587 -1.904 1.00 0.00 C ATOM 947 CD ARG A 68 -8.279 10.852 -2.177 1.00 0.00 C ATOM 948 NE ARG A 68 -9.169 9.888 -1.478 1.00 0.00 N ATOM 949 CZ ARG A 68 -10.060 10.161 -0.511 1.00 0.00 C ATOM 950 NH1 ARG A 68 -10.059 11.321 0.124 1.00 0.00 N ATOM 951 NH2 ARG A 68 -10.977 9.276 -0.148 1.00 0.00 N ATOM 0 H ARG A 68 -4.739 12.489 -0.909 1.00 0.00 H new ATOM 0 HA ARG A 68 -4.253 10.137 -2.441 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.108 12.542 -2.543 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -6.126 11.344 -3.823 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -6.561 9.542 -2.112 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -6.576 10.757 -0.849 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -8.528 11.865 -1.861 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -8.463 10.798 -3.250 1.00 0.00 H new ATOM 0 HE ARG A 68 -9.095 8.912 -1.764 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -9.370 12.034 -0.117 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -10.747 11.503 0.855 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -11.016 8.365 -0.606 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -11.644 9.505 0.589 1.00 0.00 H new ATOM 962 N GLU A 69 -3.084 12.898 -3.731 1.00 0.00 N ATOM 963 CA GLU A 69 -2.067 13.403 -4.641 1.00 0.00 C ATOM 964 C GLU A 69 -0.688 12.825 -4.302 1.00 0.00 C ATOM 965 O GLU A 69 0.004 12.297 -5.171 1.00 0.00 O ATOM 966 CB GLU A 69 -2.073 14.936 -4.592 1.00 0.00 C ATOM 967 CG GLU A 69 -3.265 15.511 -5.377 1.00 0.00 C ATOM 968 CD GLU A 69 -3.224 15.118 -6.847 1.00 0.00 C ATOM 969 OE1 GLU A 69 -2.141 15.235 -7.462 1.00 0.00 O ATOM 970 OE2 GLU A 69 -4.211 14.539 -7.353 1.00 0.00 O ATOM 0 H GLU A 69 -3.454 13.613 -3.105 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.295 13.084 -5.658 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.121 15.270 -3.555 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.141 15.320 -5.007 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.196 15.157 -4.933 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.264 16.598 -5.292 1.00 0.00 H new ATOM 975 N LEU A 70 -0.300 12.894 -3.029 1.00 0.00 N ATOM 976 CA LEU A 70 0.976 12.389 -2.544 1.00 0.00 C ATOM 977 C LEU A 70 1.181 10.940 -2.949 1.00 0.00 C ATOM 978 O LEU A 70 2.229 10.563 -3.467 1.00 0.00 O ATOM 979 CB LEU A 70 1.084 12.456 -1.005 1.00 0.00 C ATOM 980 CG LEU A 70 2.439 11.940 -0.481 1.00 0.00 C ATOM 981 CD1 LEU A 70 3.638 12.423 -1.288 1.00 0.00 C ATOM 982 CD2 LEU A 70 2.701 12.395 0.952 1.00 0.00 C ATOM 0 H LEU A 70 -0.876 13.310 -2.297 1.00 0.00 H new ATOM 0 HA LEU A 70 1.737 13.028 -2.993 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.942 13.486 -0.679 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.280 11.868 -0.562 1.00 0.00 H new ATOM 0 HG LEU A 70 2.348 10.857 -0.560 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.554 12.018 -0.857 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.542 12.085 -2.320 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.677 13.512 -1.265 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.665 12.011 1.285 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.711 13.484 0.992 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.914 12.015 1.604 1.00 0.00 H new ATOM 993 N SER A 71 0.174 10.103 -2.723 1.00 0.00 N ATOM 994 CA SER A 71 0.377 8.682 -2.769 1.00 0.00 C ATOM 995 C SER A 71 0.737 8.152 -4.160 1.00 0.00 C ATOM 996 O SER A 71 1.259 7.047 -4.289 1.00 0.00 O ATOM 997 CB SER A 71 -0.841 8.017 -2.147 1.00 0.00 C ATOM 998 OG SER A 71 -1.913 8.040 -3.070 1.00 0.00 O ATOM 0 H SER A 71 -0.780 10.393 -2.509 1.00 0.00 H new ATOM 0 HA SER A 71 1.261 8.424 -2.185 1.00 0.00 H new ATOM 0 HB2 SER A 71 -0.606 6.989 -1.871 1.00 0.00 H new ATOM 0 HB3 SER A 71 -1.124 8.536 -1.231 1.00 0.00 H new ATOM 0 HG SER A 71 -2.698 7.610 -2.670 1.00 0.00 H new ATOM 1003 N LYS A 72 0.573 8.975 -5.195 1.00 0.00 N ATOM 1004 CA LYS A 72 1.131 8.697 -6.523 1.00 0.00 C ATOM 1005 C LYS A 72 2.638 8.389 -6.416 1.00 0.00 C ATOM 1006 O LYS A 72 3.150 7.487 -7.073 1.00 0.00 O ATOM 1007 CB LYS A 72 0.884 9.898 -7.445 1.00 0.00 C ATOM 1008 CG LYS A 72 -0.609 10.236 -7.499 1.00 0.00 C ATOM 1009 CD LYS A 72 -0.871 11.490 -8.344 1.00 0.00 C ATOM 1010 CE LYS A 72 -2.376 11.789 -8.365 1.00 0.00 C ATOM 1011 NZ LYS A 72 -2.658 13.147 -8.877 1.00 0.00 N ATOM 0 H LYS A 72 0.052 9.850 -5.140 1.00 0.00 H new ATOM 0 HA LYS A 72 0.637 7.822 -6.946 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.445 10.761 -7.086 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.249 9.675 -8.448 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.159 9.393 -7.917 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.985 10.392 -6.488 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.327 12.339 -7.932 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.505 11.340 -9.360 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.884 11.053 -8.988 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.781 11.689 -7.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.626 13.423 -8.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.982 13.821 -8.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.565 13.154 -9.913 1.00 0.00 H new ATOM 1021 N THR A 73 3.325 9.112 -5.523 1.00 0.00 N ATOM 1022 CA THR A 73 4.745 8.919 -5.172 1.00 0.00 C ATOM 1023 C THR A 73 5.043 7.673 -4.325 1.00 0.00 C ATOM 1024 O THR A 73 6.191 7.265 -4.169 1.00 0.00 O ATOM 1025 CB THR A 73 5.316 10.194 -4.511 1.00 0.00 C ATOM 1026 OG1 THR A 73 6.616 10.431 -5.005 1.00 0.00 O ATOM 1027 CG2 THR A 73 5.416 10.149 -2.976 1.00 0.00 C ATOM 0 H THR A 73 2.895 9.877 -5.003 1.00 0.00 H new ATOM 0 HA THR A 73 5.254 8.735 -6.118 1.00 0.00 H new ATOM 0 HB THR A 73 4.607 10.983 -4.763 1.00 0.00 H new ATOM 0 HG1 THR A 73 6.981 11.240 -4.589 1.00 0.00 H new ATOM 0 HG21 THR A 73 5.828 11.090 -2.610 1.00 0.00 H new ATOM 0 HG22 THR A 73 4.424 9.998 -2.551 1.00 0.00 H new ATOM 0 HG23 THR A 73 6.067 9.328 -2.678 1.00 0.00 H new ATOM 1035 N PHE A 74 3.999 7.080 -3.757 1.00 0.00 N ATOM 1036 CA PHE A 74 4.029 5.927 -2.866 1.00 0.00 C ATOM 1037 C PHE A 74 3.591 4.650 -3.580 1.00 0.00 C ATOM 1038 O PHE A 74 3.861 3.543 -3.120 1.00 0.00 O ATOM 1039 CB PHE A 74 3.094 6.257 -1.718 1.00 0.00 C ATOM 1040 CG PHE A 74 3.602 7.250 -0.690 1.00 0.00 C ATOM 1041 CD1 PHE A 74 4.948 7.675 -0.634 1.00 0.00 C ATOM 1042 CD2 PHE A 74 2.701 7.678 0.297 1.00 0.00 C ATOM 1043 CE1 PHE A 74 5.356 8.601 0.341 1.00 0.00 C ATOM 1044 CE2 PHE A 74 3.106 8.610 1.260 1.00 0.00 C ATOM 1045 CZ PHE A 74 4.403 9.132 1.223 1.00 0.00 C ATOM 0 H PHE A 74 3.048 7.414 -3.917 1.00 0.00 H new ATOM 0 HA PHE A 74 5.043 5.738 -2.513 1.00 0.00 H new ATOM 0 HB2 PHE A 74 2.165 6.645 -2.136 1.00 0.00 H new ATOM 0 HB3 PHE A 74 2.848 5.329 -1.202 1.00 0.00 H new ATOM 0 HD1 PHE A 74 5.665 7.287 -1.342 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.694 7.288 0.314 1.00 0.00 H new ATOM 0 HE1 PHE A 74 6.391 8.900 0.411 1.00 0.00 H new ATOM 0 HE2 PHE A 74 2.418 8.925 2.030 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.672 9.948 1.877 1.00 0.00 H new ATOM 1054 N ILE A 75 2.876 4.808 -4.689 1.00 0.00 N ATOM 1055 CA ILE A 75 2.407 3.700 -5.490 1.00 0.00 C ATOM 1056 C ILE A 75 3.542 2.966 -6.195 1.00 0.00 C ATOM 1057 O ILE A 75 4.575 3.539 -6.530 1.00 0.00 O ATOM 1058 CB ILE A 75 1.407 4.253 -6.525 1.00 0.00 C ATOM 1059 CG1 ILE A 75 0.045 4.242 -5.843 1.00 0.00 C ATOM 1060 CG2 ILE A 75 1.368 3.537 -7.884 1.00 0.00 C ATOM 1061 CD1 ILE A 75 -1.070 4.625 -6.795 1.00 0.00 C ATOM 0 H ILE A 75 2.607 5.721 -5.055 1.00 0.00 H new ATOM 0 HA ILE A 75 1.931 2.971 -4.834 1.00 0.00 H new ATOM 0 HB ILE A 75 1.733 5.254 -6.807 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.149 3.249 -5.438 1.00 0.00 H new ATOM 0 HG13 ILE A 75 0.056 4.934 -5.001 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.628 4.015 -8.526 1.00 0.00 H new ATOM 0 HG22 ILE A 75 2.349 3.596 -8.355 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.099 2.491 -7.737 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.023 4.604 -6.266 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.891 5.629 -7.180 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.099 3.918 -7.624 1.00 0.00 H new ATOM 1072 N ILE A 76 3.274 1.695 -6.490 1.00 0.00 N ATOM 1073 CA ILE A 76 4.105 0.865 -7.358 1.00 0.00 C ATOM 1074 C ILE A 76 3.330 0.249 -8.543 1.00 0.00 C ATOM 1075 O ILE A 76 3.949 -0.169 -9.523 1.00 0.00 O ATOM 1076 CB ILE A 76 4.835 -0.183 -6.512 1.00 0.00 C ATOM 1077 CG1 ILE A 76 3.815 -1.073 -5.795 1.00 0.00 C ATOM 1078 CG2 ILE A 76 5.773 0.495 -5.501 1.00 0.00 C ATOM 1079 CD1 ILE A 76 4.535 -2.172 -5.005 1.00 0.00 C ATOM 0 H ILE A 76 2.457 1.205 -6.125 1.00 0.00 H new ATOM 0 HA ILE A 76 4.847 1.508 -7.831 1.00 0.00 H new ATOM 0 HB ILE A 76 5.443 -0.805 -7.168 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.206 -0.471 -5.121 1.00 0.00 H new ATOM 0 HG13 ILE A 76 3.138 -1.522 -6.522 1.00 0.00 H new ATOM 0 HG21 ILE A 76 6.282 -0.266 -4.910 1.00 0.00 H new ATOM 0 HG22 ILE A 76 6.511 1.094 -6.034 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.192 1.139 -4.841 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.800 -2.798 -4.500 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.125 -2.784 -5.688 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.193 -1.716 -4.265 1.00 0.00 H new ATOM 1090 N GLY A 77 1.991 0.187 -8.470 1.00 0.00 N ATOM 1091 CA GLY A 77 1.096 -0.180 -9.572 1.00 0.00 C ATOM 1092 C GLY A 77 -0.246 -0.709 -9.050 1.00 0.00 C ATOM 1093 O GLY A 77 -0.836 -0.045 -8.204 1.00 0.00 O ATOM 0 H GLY A 77 1.486 0.399 -7.609 1.00 0.00 H new ATOM 0 HA2 GLY A 77 0.924 0.688 -10.208 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.572 -0.940 -10.192 1.00 0.00 H new ATOM 1097 N GLU A 78 -0.723 -1.879 -9.507 1.00 0.00 N ATOM 1098 CA GLU A 78 -1.967 -2.500 -9.023 1.00 0.00 C ATOM 1099 C GLU A 78 -1.744 -3.883 -8.391 1.00 0.00 C ATOM 1100 O GLU A 78 -0.748 -4.554 -8.658 1.00 0.00 O ATOM 1101 CB GLU A 78 -2.984 -2.691 -10.160 1.00 0.00 C ATOM 1102 CG GLU A 78 -3.395 -1.413 -10.906 1.00 0.00 C ATOM 1103 CD GLU A 78 -4.867 -1.477 -11.289 1.00 0.00 C ATOM 1104 OE1 GLU A 78 -5.185 -2.286 -12.189 1.00 0.00 O ATOM 1105 OE2 GLU A 78 -5.697 -0.833 -10.607 1.00 0.00 O ATOM 0 H GLU A 78 -0.252 -2.425 -10.229 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.344 -1.809 -8.269 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -2.567 -3.393 -10.882 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.881 -3.153 -9.747 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.213 -0.542 -10.277 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -2.784 -1.293 -11.801 1.00 0.00 H new ATOM 1110 N LEU A 79 -2.756 -4.379 -7.670 1.00 0.00 N ATOM 1111 CA LEU A 79 -2.788 -5.710 -7.046 1.00 0.00 C ATOM 1112 C LEU A 79 -2.915 -6.895 -7.988 1.00 0.00 C ATOM 1113 O LEU A 79 -3.218 -7.992 -7.545 1.00 0.00 O ATOM 1114 CB LEU A 79 -3.830 -5.701 -5.910 1.00 0.00 C ATOM 1115 CG LEU A 79 -5.160 -6.450 -6.175 1.00 0.00 C ATOM 1116 CD1 LEU A 79 -5.214 -7.634 -5.220 1.00 0.00 C ATOM 1117 CD2 LEU A 79 -6.378 -5.576 -5.900 1.00 0.00 C ATOM 0 H LEU A 79 -3.608 -3.845 -7.498 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.795 -5.886 -6.632 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.368 -6.133 -5.022 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.066 -4.663 -5.674 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.186 -6.749 -7.223 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -6.140 -8.187 -5.378 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.363 -8.290 -5.405 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.177 -7.274 -4.192 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.286 -6.144 -6.100 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.370 -5.259 -4.857 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -6.350 -4.699 -6.546 1.00 0.00 H new ATOM 1128 N HIS A 80 -2.650 -6.670 -9.272 1.00 0.00 N ATOM 1129 CA HIS A 80 -2.857 -7.612 -10.354 1.00 0.00 C ATOM 1130 C HIS A 80 -4.342 -7.857 -10.582 1.00 0.00 C ATOM 1131 O HIS A 80 -5.181 -7.757 -9.686 1.00 0.00 O ATOM 1132 CB HIS A 80 -2.070 -8.892 -10.081 1.00 0.00 C ATOM 1133 CG HIS A 80 -1.825 -9.864 -11.200 1.00 0.00 C ATOM 1134 ND1 HIS A 80 -2.370 -11.101 -11.414 1.00 0.00 N ATOM 1135 CD2 HIS A 80 -0.857 -9.691 -12.143 1.00 0.00 C ATOM 1136 CE1 HIS A 80 -1.839 -11.583 -12.553 1.00 0.00 C ATOM 1137 NE2 HIS A 80 -0.898 -10.758 -13.034 1.00 0.00 N ATOM 0 H HIS A 80 -2.267 -5.782 -9.596 1.00 0.00 H new ATOM 0 HA HIS A 80 -2.476 -7.193 -11.285 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -1.098 -8.599 -9.684 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -2.588 -9.431 -9.288 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -0.169 -8.860 -12.191 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -2.132 -12.512 -13.018 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -0.333 -10.886 -13.874 1.00 0.00 H new ATOM 1144 N PRO A 81 -4.732 -8.087 -11.832 1.00 0.00 N ATOM 1145 CA PRO A 81 -6.077 -8.522 -12.091 1.00 0.00 C ATOM 1146 C PRO A 81 -6.316 -9.966 -11.699 1.00 0.00 C ATOM 1147 O PRO A 81 -7.477 -10.342 -11.593 1.00 0.00 O ATOM 1148 CB PRO A 81 -6.250 -8.361 -13.584 1.00 0.00 C ATOM 1149 CG PRO A 81 -4.844 -8.488 -14.165 1.00 0.00 C ATOM 1150 CD PRO A 81 -3.971 -7.913 -13.060 1.00 0.00 C ATOM 0 HA PRO A 81 -6.787 -7.940 -11.504 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -6.914 -9.125 -13.988 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -6.691 -7.394 -13.828 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -4.589 -9.525 -14.384 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -4.739 -7.930 -15.096 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -3.014 -8.432 -13.006 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -3.752 -6.860 -13.240 1.00 0.00 H new ATOM 1155 N ASP A 82 -5.266 -10.760 -11.460 1.00 0.00 N ATOM 1156 CA ASP A 82 -5.536 -12.198 -11.216 1.00 0.00 C ATOM 1157 C ASP A 82 -5.667 -12.480 -9.715 1.00 0.00 C ATOM 1158 O ASP A 82 -5.290 -13.536 -9.214 1.00 0.00 O ATOM 1159 CB ASP A 82 -4.563 -13.106 -11.989 1.00 0.00 C ATOM 1160 CG ASP A 82 -5.134 -14.479 -12.323 1.00 0.00 C ATOM 1161 OD1 ASP A 82 -6.236 -14.513 -12.910 1.00 0.00 O ATOM 1162 OD2 ASP A 82 -4.420 -15.466 -12.052 1.00 0.00 O ATOM 0 H ASP A 82 -4.288 -10.471 -11.429 1.00 0.00 H new ATOM 0 HA ASP A 82 -6.509 -12.459 -11.633 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -4.274 -12.608 -12.915 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -3.655 -13.234 -11.400 1.00 0.00 H new ATOM 1166 N ASP A 83 -6.169 -11.465 -9.008 1.00 0.00 N ATOM 1167 CA ASP A 83 -6.200 -11.376 -7.573 1.00 0.00 C ATOM 1168 C ASP A 83 -7.536 -10.739 -7.127 1.00 0.00 C ATOM 1169 O ASP A 83 -8.239 -11.265 -6.266 1.00 0.00 O ATOM 1170 CB ASP A 83 -4.941 -10.568 -7.258 1.00 0.00 C ATOM 1171 CG ASP A 83 -4.402 -10.962 -5.909 1.00 0.00 C ATOM 1172 OD1 ASP A 83 -5.159 -10.804 -4.930 1.00 0.00 O ATOM 1173 OD2 ASP A 83 -3.243 -11.432 -5.892 1.00 0.00 O ATOM 0 H ASP A 83 -6.583 -10.648 -9.458 1.00 0.00 H new ATOM 0 HA ASP A 83 -6.179 -12.322 -7.031 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -4.186 -10.741 -8.025 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -5.170 -9.502 -7.270 1.00 0.00 H new ATOM 1177 N ARG A 84 -7.890 -9.623 -7.780 1.00 0.00 N ATOM 1178 CA ARG A 84 -9.197 -8.966 -7.742 1.00 0.00 C ATOM 1179 C ARG A 84 -10.386 -9.909 -7.993 1.00 0.00 C ATOM 1180 O ARG A 84 -11.404 -9.733 -7.286 1.00 0.00 O ATOM 1181 CB ARG A 84 -9.196 -7.879 -8.825 1.00 0.00 C ATOM 1182 CG ARG A 84 -8.353 -6.691 -8.378 1.00 0.00 C ATOM 1183 CD ARG A 84 -8.265 -5.617 -9.461 1.00 0.00 C ATOM 1184 NE ARG A 84 -7.048 -5.755 -10.284 1.00 0.00 N ATOM 1185 CZ ARG A 84 -6.552 -4.750 -11.020 1.00 0.00 C ATOM 1186 NH1 ARG A 84 -7.190 -3.594 -11.115 1.00 0.00 N ATOM 1187 NH2 ARG A 84 -5.407 -4.842 -11.674 1.00 0.00 N ATOM 1188 OXT ARG A 84 -10.297 -10.723 -8.940 1.00 0.00 O ATOM 0 H ARG A 84 -7.231 -9.129 -8.382 1.00 0.00 H new ATOM 0 HA ARG A 84 -9.333 -8.569 -6.736 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -8.801 -8.284 -9.757 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -10.217 -7.555 -9.026 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -8.783 -6.260 -7.473 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -7.350 -7.033 -8.123 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -9.144 -5.677 -10.102 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -8.277 -4.632 -8.995 1.00 0.00 H new ATOM 0 HE ARG A 84 -6.564 -6.653 -10.293 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -8.073 -3.457 -10.624 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -6.798 -2.840 -11.679 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -4.863 -5.704 -11.631 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -5.068 -4.051 -12.222 1.00 0.00 H new