USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 842 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 9 MET CE :methyl 163:sc= -2.34 (180deg=-3.18!) USER MOD Single : A 10 THR OG1 : rot 71:sc= 0.281 USER MOD Single : A 12 GLN : amide:sc=-0.00639 X(o=-0.0064,f=-0.019) USER MOD Single : A 13 MET CE :methyl 158:sc= -0.197 (180deg=-0.76) USER MOD Single : A 19 LYS NZ :NH3+ -110:sc= 0.202 (180deg=0) USER MOD Single : A 24 TYR OH : rot 45:sc= 1.19 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= 0.114 K(o=0.11,f=-3!) USER MOD Single : A 63 LYS NZ :NH3+ 162:sc= 1.25 (180deg=1.16) USER MOD Single : A 68 LYS NZ :NH3+ -167:sc= 1.68 (180deg=1.54) USER MOD Single : A 69 TYR OH : rot -126:sc= 1.19 USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 169:sc= 1.21 (180deg=0.964) USER MOD Single : A 74 GLN : amide:sc= -0.169 X(o=-0.17,f=-0.3) USER MOD Single : A 79 LYS NZ :NH3+ -113:sc= 1.24 (180deg=-0.625) USER MOD Single : A 81 ASN : amide:sc= -0.0756 K(o=-0.076,f=-1.3!) USER MOD Single : A 88 GLN : amide:sc= -0.686 K(o=-0.69,f=-2.2!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 165:sc= 0 USER MOD Single : A 92 HIS : no HD1:sc= -1.48 K(o=-1.5,f=0.31) USER MOD Single : A 93 HIS : no HD1:sc=-0.00232 X(o=-0.0023,f=-0.0023) USER MOD Single : A 95 HIS : no HD1:sc= -0.162 X(o=-0.16,f=-0.039) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ -176:sc= 1.21 (180deg=1.11) USER MOD Single : A 103 THR OG1 : rot 80:sc= 1.21 USER MOD Single : A 105 SER OG : rot 75:sc= 1.22 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot 81:sc= 1.2 USER MOD Single : A 111 HIS : no HD1:sc= -1.1 K(o=-1.1,f=0.32) USER MOD Single : A 114 LYS NZ :NH3+ -161:sc= 1.2 (180deg=1.15) USER MOD ----------------------------------------------------------------- ATOM 81 N LEU A 6 -1.629 10.493 -10.051 1.00 0.00 N ATOM 82 CA LEU A 6 -0.965 10.229 -8.782 1.00 0.00 C ATOM 83 C LEU A 6 -1.951 9.679 -7.759 1.00 0.00 C ATOM 84 O LEU A 6 -1.655 8.713 -7.050 1.00 0.00 O ATOM 85 CB LEU A 6 -0.321 11.518 -8.258 1.00 0.00 C ATOM 86 CG LEU A 6 0.465 11.384 -6.951 1.00 0.00 C ATOM 87 CD1 LEU A 6 1.667 10.472 -7.138 1.00 0.00 C ATOM 88 CD2 LEU A 6 0.901 12.754 -6.452 1.00 0.00 C ATOM 0 HA LEU A 6 -0.190 9.479 -8.943 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.349 11.905 -9.025 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.105 12.262 -8.114 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.187 10.936 -6.201 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.212 10.390 -6.197 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.329 9.483 -7.448 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.323 10.887 -7.903 1.00 0.00 H new ATOM 0 HD21 LEU A 6 1.459 12.642 -5.522 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.535 13.229 -7.200 1.00 0.00 H new ATOM 0 HD23 LEU A 6 0.022 13.374 -6.275 1.00 0.00 H new ATOM 100 N LEU A 7 -3.131 10.284 -7.705 1.00 0.00 N ATOM 101 CA LEU A 7 -4.143 9.900 -6.734 1.00 0.00 C ATOM 102 C LEU A 7 -4.621 8.475 -6.987 1.00 0.00 C ATOM 103 O LEU A 7 -4.738 7.683 -6.057 1.00 0.00 O ATOM 104 CB LEU A 7 -5.324 10.876 -6.779 1.00 0.00 C ATOM 105 CG LEU A 7 -6.397 10.654 -5.710 1.00 0.00 C ATOM 106 CD1 LEU A 7 -5.809 10.809 -4.317 1.00 0.00 C ATOM 107 CD2 LEU A 7 -7.557 11.617 -5.905 1.00 0.00 C ATOM 0 H LEU A 7 -3.409 11.045 -8.325 1.00 0.00 H new ATOM 0 HA LEU A 7 -3.696 9.939 -5.741 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.939 11.891 -6.679 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -5.793 10.808 -7.761 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.772 9.636 -5.814 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.589 10.647 -3.573 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.014 10.077 -4.174 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -5.402 11.814 -4.204 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.308 11.442 -5.135 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.195 12.642 -5.832 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -8.001 11.458 -6.888 1.00 0.00 H new ATOM 119 N GLU A 8 -4.873 8.147 -8.250 1.00 0.00 N ATOM 120 CA GLU A 8 -5.345 6.817 -8.616 1.00 0.00 C ATOM 121 C GLU A 8 -4.309 5.748 -8.291 1.00 0.00 C ATOM 122 O GLU A 8 -4.663 4.632 -7.915 1.00 0.00 O ATOM 123 CB GLU A 8 -5.693 6.765 -10.097 1.00 0.00 C ATOM 124 CG GLU A 8 -7.022 7.412 -10.434 1.00 0.00 C ATOM 125 CD GLU A 8 -7.309 7.366 -11.916 1.00 0.00 C ATOM 126 OE1 GLU A 8 -7.521 6.261 -12.452 1.00 0.00 O ATOM 127 OE2 GLU A 8 -7.288 8.433 -12.562 1.00 0.00 O ATOM 0 H GLU A 8 -4.758 8.785 -9.038 1.00 0.00 H new ATOM 0 HA GLU A 8 -6.240 6.613 -8.029 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.904 7.259 -10.664 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -5.713 5.724 -10.420 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -7.821 6.904 -9.893 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -7.017 8.449 -10.097 1.00 0.00 H new ATOM 134 N MET A 9 -3.032 6.092 -8.432 1.00 0.00 N ATOM 135 CA MET A 9 -1.956 5.159 -8.113 1.00 0.00 C ATOM 136 C MET A 9 -2.013 4.789 -6.632 1.00 0.00 C ATOM 137 O MET A 9 -1.900 3.617 -6.266 1.00 0.00 O ATOM 138 CB MET A 9 -0.592 5.766 -8.468 1.00 0.00 C ATOM 139 CG MET A 9 0.577 4.804 -8.293 1.00 0.00 C ATOM 140 SD MET A 9 2.131 5.470 -8.922 1.00 0.00 S ATOM 141 CE MET A 9 2.318 6.918 -7.886 1.00 0.00 C ATOM 0 H MET A 9 -2.718 7.004 -8.763 1.00 0.00 H new ATOM 0 HA MET A 9 -2.086 4.254 -8.706 1.00 0.00 H new ATOM 0 HB2 MET A 9 -0.616 6.109 -9.502 1.00 0.00 H new ATOM 0 HB3 MET A 9 -0.423 6.644 -7.845 1.00 0.00 H new ATOM 0 HG2 MET A 9 0.691 4.566 -7.235 1.00 0.00 H new ATOM 0 HG3 MET A 9 0.353 3.870 -8.808 1.00 0.00 H new ATOM 0 HE1 MET A 9 3.350 7.267 -7.931 1.00 0.00 H new ATOM 0 HE2 MET A 9 1.653 7.706 -8.239 1.00 0.00 H new ATOM 0 HE3 MET A 9 2.066 6.664 -6.857 1.00 0.00 H new ATOM 151 N THR A 10 -2.228 5.793 -5.789 1.00 0.00 N ATOM 152 CA THR A 10 -2.381 5.569 -4.358 1.00 0.00 C ATOM 153 C THR A 10 -3.703 4.855 -4.073 1.00 0.00 C ATOM 154 O THR A 10 -3.751 3.919 -3.278 1.00 0.00 O ATOM 155 CB THR A 10 -2.329 6.899 -3.577 1.00 0.00 C ATOM 156 OG1 THR A 10 -1.171 7.644 -3.969 1.00 0.00 O ATOM 157 CG2 THR A 10 -2.289 6.652 -2.075 1.00 0.00 C ATOM 0 H THR A 10 -2.300 6.770 -6.073 1.00 0.00 H new ATOM 0 HA THR A 10 -1.553 4.943 -4.027 1.00 0.00 H new ATOM 0 HB THR A 10 -3.231 7.466 -3.809 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.295 7.987 -4.879 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.253 7.607 -1.550 1.00 0.00 H new ATOM 0 HG22 THR A 10 -3.182 6.105 -1.772 1.00 0.00 H new ATOM 0 HG23 THR A 10 -1.404 6.067 -1.826 1.00 0.00 H new ATOM 165 N GLU A 11 -4.765 5.294 -4.750 1.00 0.00 N ATOM 166 CA GLU A 11 -6.089 4.682 -4.624 1.00 0.00 C ATOM 167 C GLU A 11 -6.034 3.183 -4.868 1.00 0.00 C ATOM 168 O GLU A 11 -6.694 2.410 -4.171 1.00 0.00 O ATOM 169 CB GLU A 11 -7.067 5.322 -5.613 1.00 0.00 C ATOM 170 CG GLU A 11 -7.620 6.655 -5.152 1.00 0.00 C ATOM 171 CD GLU A 11 -8.526 6.507 -3.952 1.00 0.00 C ATOM 172 OE1 GLU A 11 -9.652 5.996 -4.118 1.00 0.00 O ATOM 173 OE2 GLU A 11 -8.117 6.878 -2.835 1.00 0.00 O ATOM 0 H GLU A 11 -4.732 6.081 -5.399 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.434 4.854 -3.604 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.563 5.460 -6.570 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.896 4.636 -5.785 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.795 7.323 -4.904 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.173 7.120 -5.968 1.00 0.00 H new ATOM 180 N GLN A 12 -5.259 2.783 -5.866 1.00 0.00 N ATOM 181 CA GLN A 12 -5.093 1.373 -6.187 1.00 0.00 C ATOM 182 C GLN A 12 -4.436 0.651 -5.015 1.00 0.00 C ATOM 183 O GLN A 12 -4.927 -0.377 -4.552 1.00 0.00 O ATOM 184 CB GLN A 12 -4.243 1.217 -7.454 1.00 0.00 C ATOM 185 CG GLN A 12 -4.730 0.136 -8.409 1.00 0.00 C ATOM 186 CD GLN A 12 -4.737 -1.247 -7.788 1.00 0.00 C ATOM 187 OE1 GLN A 12 -5.728 -1.671 -7.198 1.00 0.00 O ATOM 188 NE2 GLN A 12 -3.634 -1.965 -7.933 1.00 0.00 N ATOM 0 H GLN A 12 -4.734 3.417 -6.469 1.00 0.00 H new ATOM 0 HA GLN A 12 -6.072 0.930 -6.370 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -4.223 2.170 -7.983 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -3.217 0.992 -7.163 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -5.738 0.382 -8.744 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -4.093 0.127 -9.294 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -2.833 -1.575 -8.430 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -3.585 -2.908 -7.548 1.00 0.00 H new ATOM 197 N MET A 13 -3.339 1.219 -4.523 1.00 0.00 N ATOM 198 CA MET A 13 -2.604 0.641 -3.401 1.00 0.00 C ATOM 199 C MET A 13 -3.486 0.534 -2.159 1.00 0.00 C ATOM 200 O MET A 13 -3.459 -0.475 -1.452 1.00 0.00 O ATOM 201 CB MET A 13 -1.366 1.484 -3.086 1.00 0.00 C ATOM 202 CG MET A 13 -0.313 1.460 -4.178 1.00 0.00 C ATOM 203 SD MET A 13 1.134 2.451 -3.767 1.00 0.00 S ATOM 204 CE MET A 13 1.707 1.626 -2.283 1.00 0.00 C ATOM 0 H MET A 13 -2.937 2.084 -4.886 1.00 0.00 H new ATOM 0 HA MET A 13 -2.292 -0.363 -3.688 1.00 0.00 H new ATOM 0 HB2 MET A 13 -1.675 2.515 -2.915 1.00 0.00 H new ATOM 0 HB3 MET A 13 -0.921 1.126 -2.158 1.00 0.00 H new ATOM 0 HG2 MET A 13 -0.004 0.430 -4.357 1.00 0.00 H new ATOM 0 HG3 MET A 13 -0.749 1.828 -5.106 1.00 0.00 H new ATOM 0 HE1 MET A 13 2.763 1.846 -2.129 1.00 0.00 H new ATOM 0 HE2 MET A 13 1.134 1.979 -1.426 1.00 0.00 H new ATOM 0 HE3 MET A 13 1.573 0.550 -2.390 1.00 0.00 H new ATOM 214 N ILE A 14 -4.281 1.566 -1.908 1.00 0.00 N ATOM 215 CA ILE A 14 -5.137 1.597 -0.729 1.00 0.00 C ATOM 216 C ILE A 14 -6.189 0.494 -0.793 1.00 0.00 C ATOM 217 O ILE A 14 -6.348 -0.270 0.157 1.00 0.00 O ATOM 218 CB ILE A 14 -5.835 2.968 -0.553 1.00 0.00 C ATOM 219 CG1 ILE A 14 -4.794 4.078 -0.381 1.00 0.00 C ATOM 220 CG2 ILE A 14 -6.776 2.937 0.645 1.00 0.00 C ATOM 221 CD1 ILE A 14 -5.395 5.463 -0.266 1.00 0.00 C ATOM 0 H ILE A 14 -4.351 2.391 -2.504 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.491 1.432 0.133 1.00 0.00 H new ATOM 0 HB ILE A 14 -6.420 3.175 -1.449 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -4.202 3.873 0.511 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.110 4.057 -1.230 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -7.258 3.908 0.754 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -7.535 2.170 0.491 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -6.209 2.710 1.548 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -4.598 6.197 -0.147 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -5.964 5.689 -1.168 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -6.057 5.502 0.599 1.00 0.00 H new ATOM 233 N GLU A 15 -6.872 0.393 -1.929 1.00 0.00 N ATOM 234 CA GLU A 15 -7.949 -0.577 -2.087 1.00 0.00 C ATOM 235 C GLU A 15 -7.441 -2.003 -1.884 1.00 0.00 C ATOM 236 O GLU A 15 -8.096 -2.811 -1.225 1.00 0.00 O ATOM 237 CB GLU A 15 -8.602 -0.440 -3.463 1.00 0.00 C ATOM 238 CG GLU A 15 -9.833 -1.316 -3.637 1.00 0.00 C ATOM 239 CD GLU A 15 -10.467 -1.175 -5.004 1.00 0.00 C ATOM 240 OE1 GLU A 15 -11.183 -0.179 -5.232 1.00 0.00 O ATOM 241 OE2 GLU A 15 -10.267 -2.067 -5.854 1.00 0.00 O ATOM 0 H GLU A 15 -6.699 0.970 -2.752 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.697 -0.369 -1.322 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -8.881 0.602 -3.623 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.872 -0.696 -4.231 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.557 -2.358 -3.476 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.567 -1.059 -2.873 1.00 0.00 H new ATOM 248 N VAL A 16 -6.268 -2.306 -2.435 1.00 0.00 N ATOM 249 CA VAL A 16 -5.679 -3.632 -2.281 1.00 0.00 C ATOM 250 C VAL A 16 -5.409 -3.932 -0.807 1.00 0.00 C ATOM 251 O VAL A 16 -5.710 -5.024 -0.319 1.00 0.00 O ATOM 252 CB VAL A 16 -4.364 -3.771 -3.080 1.00 0.00 C ATOM 253 CG1 VAL A 16 -3.737 -5.141 -2.863 1.00 0.00 C ATOM 254 CG2 VAL A 16 -4.609 -3.527 -4.559 1.00 0.00 C ATOM 0 H VAL A 16 -5.710 -1.656 -2.988 1.00 0.00 H new ATOM 0 HA VAL A 16 -6.399 -4.350 -2.675 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.667 -3.017 -2.715 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.813 -5.213 -3.436 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -3.519 -5.278 -1.804 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -4.430 -5.915 -3.193 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.671 -3.629 -5.105 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -5.328 -4.255 -4.934 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.004 -2.521 -4.701 1.00 0.00 H new ATOM 264 N ALA A 17 -4.862 -2.949 -0.100 1.00 0.00 N ATOM 265 CA ALA A 17 -4.563 -3.105 1.318 1.00 0.00 C ATOM 266 C ALA A 17 -5.846 -3.272 2.130 1.00 0.00 C ATOM 267 O ALA A 17 -5.905 -4.091 3.049 1.00 0.00 O ATOM 268 CB ALA A 17 -3.752 -1.920 1.825 1.00 0.00 C ATOM 0 H ALA A 17 -4.617 -2.037 -0.485 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.966 -4.008 1.444 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.538 -2.053 2.885 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.816 -1.856 1.271 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.321 -1.002 1.682 1.00 0.00 H new ATOM 274 N GLU A 18 -6.875 -2.500 1.781 1.00 0.00 N ATOM 275 CA GLU A 18 -8.168 -2.600 2.431 1.00 0.00 C ATOM 276 C GLU A 18 -8.771 -3.983 2.220 1.00 0.00 C ATOM 277 O GLU A 18 -9.286 -4.600 3.155 1.00 0.00 O ATOM 278 CB GLU A 18 -9.116 -1.541 1.882 1.00 0.00 C ATOM 279 CG GLU A 18 -8.698 -0.114 2.192 1.00 0.00 C ATOM 280 CD GLU A 18 -9.745 0.897 1.778 1.00 0.00 C ATOM 281 OE1 GLU A 18 -9.880 1.160 0.567 1.00 0.00 O ATOM 282 OE2 GLU A 18 -10.443 1.429 2.669 1.00 0.00 O ATOM 0 H GLU A 18 -6.830 -1.795 1.045 1.00 0.00 H new ATOM 0 HA GLU A 18 -8.025 -2.438 3.499 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -9.190 -1.660 0.801 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -10.112 -1.713 2.290 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -8.507 -0.018 3.261 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.761 0.107 1.680 1.00 0.00 H new ATOM 289 N LYS A 19 -8.705 -4.457 0.981 1.00 0.00 N ATOM 290 CA LYS A 19 -9.215 -5.775 0.628 1.00 0.00 C ATOM 291 C LYS A 19 -8.431 -6.867 1.340 1.00 0.00 C ATOM 292 O LYS A 19 -9.014 -7.817 1.861 1.00 0.00 O ATOM 293 CB LYS A 19 -9.156 -5.982 -0.888 1.00 0.00 C ATOM 294 CG LYS A 19 -10.191 -5.175 -1.652 1.00 0.00 C ATOM 295 CD LYS A 19 -10.111 -5.444 -3.144 1.00 0.00 C ATOM 296 CE LYS A 19 -11.221 -4.733 -3.890 1.00 0.00 C ATOM 297 NZ LYS A 19 -11.164 -4.999 -5.351 1.00 0.00 N ATOM 0 H LYS A 19 -8.300 -3.943 0.199 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.255 -5.835 0.950 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.162 -5.713 -1.245 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -9.298 -7.040 -1.108 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -11.188 -5.423 -1.289 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -10.038 -4.112 -1.463 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -9.144 -5.114 -3.524 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -10.176 -6.517 -3.327 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -12.186 -5.056 -3.499 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -11.148 -3.660 -3.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -10.875 -4.134 -5.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -10.474 -5.754 -5.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -12.103 -5.295 -5.687 1.00 0.00 H new ATOM 311 N GLY A 20 -7.112 -6.725 1.355 1.00 0.00 N ATOM 312 CA GLY A 20 -6.263 -7.681 2.038 1.00 0.00 C ATOM 313 C GLY A 20 -6.573 -7.763 3.519 1.00 0.00 C ATOM 314 O GLY A 20 -6.745 -8.854 4.061 1.00 0.00 O ATOM 0 H GLY A 20 -6.612 -5.959 0.903 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -6.390 -8.665 1.587 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -5.219 -7.400 1.902 1.00 0.00 H new ATOM 318 N ALA A 21 -6.651 -6.606 4.169 1.00 0.00 N ATOM 319 CA ALA A 21 -6.979 -6.537 5.590 1.00 0.00 C ATOM 320 C ALA A 21 -8.349 -7.146 5.858 1.00 0.00 C ATOM 321 O ALA A 21 -8.511 -7.965 6.759 1.00 0.00 O ATOM 322 CB ALA A 21 -6.939 -5.094 6.077 1.00 0.00 C ATOM 0 H ALA A 21 -6.491 -5.698 3.732 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.233 -7.112 6.139 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.186 -5.061 7.138 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.940 -4.686 5.924 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.663 -4.501 5.518 1.00 0.00 H new ATOM 328 N ASP A 22 -9.327 -6.751 5.053 1.00 0.00 N ATOM 329 CA ASP A 22 -10.693 -7.241 5.198 1.00 0.00 C ATOM 330 C ASP A 22 -10.761 -8.754 5.019 1.00 0.00 C ATOM 331 O ASP A 22 -11.414 -9.456 5.795 1.00 0.00 O ATOM 332 CB ASP A 22 -11.610 -6.559 4.182 1.00 0.00 C ATOM 333 CG ASP A 22 -13.014 -7.124 4.206 1.00 0.00 C ATOM 334 OD1 ASP A 22 -13.821 -6.685 5.051 1.00 0.00 O ATOM 335 OD2 ASP A 22 -13.314 -8.015 3.390 1.00 0.00 O ATOM 0 H ASP A 22 -9.199 -6.088 4.288 1.00 0.00 H new ATOM 0 HA ASP A 22 -11.028 -7.000 6.207 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.647 -5.490 4.390 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -11.191 -6.675 3.182 1.00 0.00 H new ATOM 340 N ARG A 23 -10.072 -9.253 4.000 1.00 0.00 N ATOM 341 CA ARG A 23 -10.092 -10.675 3.687 1.00 0.00 C ATOM 342 C ARG A 23 -9.416 -11.471 4.801 1.00 0.00 C ATOM 343 O ARG A 23 -9.875 -12.547 5.186 1.00 0.00 O ATOM 344 CB ARG A 23 -9.384 -10.932 2.354 1.00 0.00 C ATOM 345 CG ARG A 23 -9.892 -12.164 1.629 1.00 0.00 C ATOM 346 CD ARG A 23 -11.343 -11.988 1.211 1.00 0.00 C ATOM 347 NE ARG A 23 -11.939 -13.242 0.761 1.00 0.00 N ATOM 348 CZ ARG A 23 -12.844 -13.916 1.467 1.00 0.00 C ATOM 349 NH1 ARG A 23 -13.298 -13.417 2.612 1.00 0.00 N ATOM 350 NH2 ARG A 23 -13.321 -15.068 1.016 1.00 0.00 N ATOM 0 H ARG A 23 -9.492 -8.692 3.376 1.00 0.00 H new ATOM 0 HA ARG A 23 -11.129 -10.999 3.604 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -9.512 -10.062 1.710 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -8.315 -11.041 2.534 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -9.276 -12.353 0.750 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -9.799 -13.036 2.276 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -11.917 -11.595 2.050 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -11.403 -11.251 0.411 1.00 0.00 H new ATOM 0 HE ARG A 23 -11.647 -13.621 -0.140 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -12.953 -12.518 2.949 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -13.992 -13.933 3.154 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -12.995 -15.441 0.125 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -14.014 -15.581 1.560 1.00 0.00 H new ATOM 364 N TYR A 24 -8.329 -10.915 5.320 1.00 0.00 N ATOM 365 CA TYR A 24 -7.573 -11.535 6.400 1.00 0.00 C ATOM 366 C TYR A 24 -8.395 -11.535 7.689 1.00 0.00 C ATOM 367 O TYR A 24 -8.354 -12.485 8.472 1.00 0.00 O ATOM 368 CB TYR A 24 -6.266 -10.760 6.603 1.00 0.00 C ATOM 369 CG TYR A 24 -5.184 -11.508 7.352 1.00 0.00 C ATOM 370 CD1 TYR A 24 -5.115 -11.477 8.740 1.00 0.00 C ATOM 371 CD2 TYR A 24 -4.212 -12.223 6.663 1.00 0.00 C ATOM 372 CE1 TYR A 24 -4.109 -12.138 9.417 1.00 0.00 C ATOM 373 CE2 TYR A 24 -3.206 -12.889 7.332 1.00 0.00 C ATOM 374 CZ TYR A 24 -3.157 -12.843 8.708 1.00 0.00 C ATOM 375 OH TYR A 24 -2.150 -13.499 9.375 1.00 0.00 O ATOM 0 H TYR A 24 -7.947 -10.023 5.005 1.00 0.00 H new ATOM 0 HA TYR A 24 -7.346 -12.569 6.140 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -5.877 -10.472 5.626 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -6.488 -9.839 7.142 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -5.859 -10.928 9.297 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -4.245 -12.258 5.584 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -4.067 -12.104 10.496 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -2.461 -13.443 6.780 1.00 0.00 H new ATOM 0 HH TYR A 24 -2.526 -13.988 10.137 1.00 0.00 H new ATOM 385 N GLN A 25 -9.157 -10.463 7.884 1.00 0.00 N ATOM 386 CA GLN A 25 -9.968 -10.291 9.083 1.00 0.00 C ATOM 387 C GLN A 25 -11.129 -11.285 9.112 1.00 0.00 C ATOM 388 O GLN A 25 -11.525 -11.758 10.180 1.00 0.00 O ATOM 389 CB GLN A 25 -10.489 -8.854 9.152 1.00 0.00 C ATOM 390 CG GLN A 25 -11.232 -8.525 10.435 1.00 0.00 C ATOM 391 CD GLN A 25 -11.506 -7.040 10.577 1.00 0.00 C ATOM 392 OE1 GLN A 25 -10.697 -6.303 11.142 1.00 0.00 O ATOM 393 NE2 GLN A 25 -12.643 -6.590 10.072 1.00 0.00 N ATOM 0 H GLN A 25 -9.229 -9.693 7.219 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.343 -10.487 9.954 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -9.648 -8.169 9.046 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -11.153 -8.678 8.305 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -12.176 -9.070 10.456 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -10.647 -8.868 11.289 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -13.287 -7.234 9.611 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -12.876 -5.600 10.143 1.00 0.00 H new ATOM 635 N LYS A 41 2.171 -14.334 -7.828 1.00 0.00 N ATOM 636 CA LYS A 41 2.792 -13.962 -9.090 1.00 0.00 C ATOM 637 C LYS A 41 2.244 -12.618 -9.605 1.00 0.00 C ATOM 638 O LYS A 41 2.975 -11.631 -9.615 1.00 0.00 O ATOM 639 CB LYS A 41 2.624 -15.080 -10.131 1.00 0.00 C ATOM 640 CG LYS A 41 3.219 -14.753 -11.491 1.00 0.00 C ATOM 641 CD LYS A 41 4.724 -14.555 -11.409 1.00 0.00 C ATOM 642 CE LYS A 41 5.315 -14.223 -12.770 1.00 0.00 C ATOM 643 NZ LYS A 41 6.791 -14.056 -12.713 1.00 0.00 N ATOM 0 HA LYS A 41 3.860 -13.830 -8.917 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.090 -15.989 -9.751 1.00 0.00 H new ATOM 0 HB3 LYS A 41 1.562 -15.293 -10.252 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.995 -15.558 -12.190 1.00 0.00 H new ATOM 0 HG3 LYS A 41 2.753 -13.850 -11.885 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.949 -13.752 -10.707 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.191 -15.459 -11.019 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.067 -15.016 -13.476 1.00 0.00 H new ATOM 0 HE3 LYS A 41 4.861 -13.307 -13.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 7.152 -13.831 -13.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.028 -13.282 -12.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.227 -14.938 -12.377 1.00 0.00 H new ATOM 657 N PRO A 42 0.947 -12.531 -9.996 1.00 0.00 N ATOM 658 CA PRO A 42 0.409 -11.316 -10.623 1.00 0.00 C ATOM 659 C PRO A 42 0.362 -10.126 -9.665 1.00 0.00 C ATOM 660 O PRO A 42 0.769 -9.019 -10.014 1.00 0.00 O ATOM 661 CB PRO A 42 -1.006 -11.723 -11.047 1.00 0.00 C ATOM 662 CG PRO A 42 -1.372 -12.840 -10.135 1.00 0.00 C ATOM 663 CD PRO A 42 -0.093 -13.572 -9.845 1.00 0.00 C ATOM 0 HA PRO A 42 1.035 -10.982 -11.450 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -1.702 -10.890 -10.951 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -1.030 -12.040 -12.090 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -1.823 -12.463 -9.217 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.103 -13.501 -10.601 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -0.093 -13.996 -8.841 1.00 0.00 H new ATOM 0 HD3 PRO A 42 0.063 -14.398 -10.540 1.00 0.00 H new ATOM 671 N ALA A 43 -0.118 -10.370 -8.450 1.00 0.00 N ATOM 672 CA ALA A 43 -0.273 -9.312 -7.462 1.00 0.00 C ATOM 673 C ALA A 43 1.075 -8.727 -7.066 1.00 0.00 C ATOM 674 O ALA A 43 1.206 -7.518 -6.874 1.00 0.00 O ATOM 675 CB ALA A 43 -1.001 -9.837 -6.237 1.00 0.00 C ATOM 0 H ALA A 43 -0.406 -11.293 -8.127 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.866 -8.516 -7.911 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.110 -9.035 -5.507 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.987 -10.200 -6.527 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.429 -10.654 -5.796 1.00 0.00 H new ATOM 681 N VAL A 44 2.078 -9.585 -6.960 1.00 0.00 N ATOM 682 CA VAL A 44 3.405 -9.146 -6.565 1.00 0.00 C ATOM 683 C VAL A 44 4.023 -8.251 -7.637 1.00 0.00 C ATOM 684 O VAL A 44 4.512 -7.168 -7.325 1.00 0.00 O ATOM 685 CB VAL A 44 4.334 -10.342 -6.267 1.00 0.00 C ATOM 686 CG1 VAL A 44 5.748 -9.875 -5.950 1.00 0.00 C ATOM 687 CG2 VAL A 44 3.780 -11.158 -5.111 1.00 0.00 C ATOM 0 H VAL A 44 1.998 -10.586 -7.141 1.00 0.00 H new ATOM 0 HA VAL A 44 3.296 -8.569 -5.647 1.00 0.00 H new ATOM 0 HB VAL A 44 4.377 -10.968 -7.158 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.379 -10.740 -5.744 1.00 0.00 H new ATOM 0 HG12 VAL A 44 6.150 -9.327 -6.802 1.00 0.00 H new ATOM 0 HG13 VAL A 44 5.729 -9.224 -5.076 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.443 -11.999 -4.909 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.710 -10.530 -4.223 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.789 -11.531 -5.371 1.00 0.00 H new ATOM 697 N GLU A 45 3.963 -8.687 -8.895 1.00 0.00 N ATOM 698 CA GLU A 45 4.533 -7.922 -10.003 1.00 0.00 C ATOM 699 C GLU A 45 3.939 -6.513 -10.067 1.00 0.00 C ATOM 700 O GLU A 45 4.665 -5.528 -10.195 1.00 0.00 O ATOM 701 CB GLU A 45 4.287 -8.652 -11.326 1.00 0.00 C ATOM 702 CG GLU A 45 4.979 -10.004 -11.419 1.00 0.00 C ATOM 703 CD GLU A 45 4.811 -10.661 -12.774 1.00 0.00 C ATOM 704 OE1 GLU A 45 3.719 -11.197 -13.050 1.00 0.00 O ATOM 705 OE2 GLU A 45 5.777 -10.648 -13.572 1.00 0.00 O ATOM 0 H GLU A 45 3.525 -9.566 -9.172 1.00 0.00 H new ATOM 0 HA GLU A 45 5.606 -7.831 -9.834 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.214 -8.793 -11.458 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.629 -8.022 -12.147 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.042 -9.878 -11.212 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.580 -10.664 -10.649 1.00 0.00 H new ATOM 712 N GLU A 46 2.618 -6.433 -9.962 1.00 0.00 N ATOM 713 CA GLU A 46 1.903 -5.174 -10.004 1.00 0.00 C ATOM 714 C GLU A 46 2.306 -4.248 -8.861 1.00 0.00 C ATOM 715 O GLU A 46 2.681 -3.098 -9.083 1.00 0.00 O ATOM 716 CB GLU A 46 0.406 -5.459 -9.933 1.00 0.00 C ATOM 717 CG GLU A 46 -0.206 -5.897 -11.253 1.00 0.00 C ATOM 718 CD GLU A 46 -0.507 -4.726 -12.162 1.00 0.00 C ATOM 719 OE1 GLU A 46 0.381 -4.314 -12.934 1.00 0.00 O ATOM 720 OE2 GLU A 46 -1.644 -4.207 -12.103 1.00 0.00 O ATOM 0 H GLU A 46 2.014 -7.247 -9.845 1.00 0.00 H new ATOM 0 HA GLU A 46 2.155 -4.667 -10.935 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.230 -6.235 -9.188 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -0.108 -4.562 -9.587 1.00 0.00 H new ATOM 0 HG2 GLU A 46 0.476 -6.581 -11.758 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.125 -6.450 -11.059 1.00 0.00 H new ATOM 727 N ASN A 47 2.236 -4.755 -7.637 1.00 0.00 N ATOM 728 CA ASN A 47 2.446 -3.918 -6.461 1.00 0.00 C ATOM 729 C ASN A 47 3.923 -3.604 -6.236 1.00 0.00 C ATOM 730 O ASN A 47 4.250 -2.580 -5.642 1.00 0.00 O ATOM 731 CB ASN A 47 1.833 -4.559 -5.213 1.00 0.00 C ATOM 732 CG ASN A 47 0.314 -4.539 -5.241 1.00 0.00 C ATOM 733 OD1 ASN A 47 -0.314 -3.570 -4.827 1.00 0.00 O ATOM 734 ND2 ASN A 47 -0.290 -5.613 -5.722 1.00 0.00 N ATOM 0 H ASN A 47 2.037 -5.734 -7.432 1.00 0.00 H new ATOM 0 HA ASN A 47 1.937 -2.972 -6.649 1.00 0.00 H new ATOM 0 HB2 ASN A 47 2.179 -5.589 -5.129 1.00 0.00 H new ATOM 0 HB3 ASN A 47 2.185 -4.032 -4.326 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -1.309 -5.653 -5.757 1.00 0.00 H new ATOM 0 HD22 ASN A 47 0.263 -6.401 -6.058 1.00 0.00 H new ATOM 741 N ASP A 48 4.810 -4.473 -6.714 1.00 0.00 N ATOM 742 CA ASP A 48 6.251 -4.219 -6.638 1.00 0.00 C ATOM 743 C ASP A 48 6.600 -2.964 -7.431 1.00 0.00 C ATOM 744 O ASP A 48 7.265 -2.059 -6.921 1.00 0.00 O ATOM 745 CB ASP A 48 7.033 -5.428 -7.163 1.00 0.00 C ATOM 746 CG ASP A 48 8.538 -5.288 -7.014 1.00 0.00 C ATOM 747 OD1 ASP A 48 9.018 -5.059 -5.879 1.00 0.00 O ATOM 748 OD2 ASP A 48 9.252 -5.433 -8.025 1.00 0.00 O ATOM 0 H ASP A 48 4.560 -5.357 -7.157 1.00 0.00 H new ATOM 0 HA ASP A 48 6.529 -4.060 -5.596 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.705 -6.321 -6.632 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.792 -5.577 -8.216 1.00 0.00 H new ATOM 753 N GLU A 49 6.130 -2.911 -8.675 1.00 0.00 N ATOM 754 CA GLU A 49 6.255 -1.713 -9.495 1.00 0.00 C ATOM 755 C GLU A 49 5.505 -0.545 -8.869 1.00 0.00 C ATOM 756 O GLU A 49 6.035 0.560 -8.756 1.00 0.00 O ATOM 757 CB GLU A 49 5.695 -1.976 -10.892 1.00 0.00 C ATOM 758 CG GLU A 49 6.760 -2.177 -11.948 1.00 0.00 C ATOM 759 CD GLU A 49 6.671 -1.136 -13.045 1.00 0.00 C ATOM 760 OE1 GLU A 49 7.154 -0.003 -12.837 1.00 0.00 O ATOM 761 OE2 GLU A 49 6.104 -1.437 -14.118 1.00 0.00 O ATOM 0 H GLU A 49 5.658 -3.688 -9.137 1.00 0.00 H new ATOM 0 HA GLU A 49 7.313 -1.459 -9.562 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.059 -2.860 -10.858 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.061 -1.138 -11.183 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.745 -2.132 -11.483 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.658 -3.172 -12.382 1.00 0.00 H new ATOM 768 N LEU A 50 4.267 -0.810 -8.467 1.00 0.00 N ATOM 769 CA LEU A 50 3.383 0.213 -7.918 1.00 0.00 C ATOM 770 C LEU A 50 4.024 0.930 -6.731 1.00 0.00 C ATOM 771 O LEU A 50 4.109 2.156 -6.714 1.00 0.00 O ATOM 772 CB LEU A 50 2.060 -0.425 -7.494 1.00 0.00 C ATOM 773 CG LEU A 50 0.811 0.423 -7.748 1.00 0.00 C ATOM 774 CD1 LEU A 50 0.645 0.690 -9.236 1.00 0.00 C ATOM 775 CD2 LEU A 50 -0.423 -0.275 -7.194 1.00 0.00 C ATOM 0 H LEU A 50 3.848 -1.739 -8.512 1.00 0.00 H new ATOM 0 HA LEU A 50 3.200 0.956 -8.694 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.948 -1.373 -8.020 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.112 -0.655 -6.430 1.00 0.00 H new ATOM 0 HG LEU A 50 0.930 1.378 -7.236 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.247 1.294 -9.400 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.519 1.224 -9.609 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.545 -0.257 -9.767 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.304 0.339 -7.382 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.544 -1.242 -7.683 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.306 -0.423 -6.120 1.00 0.00 H new ATOM 787 N ALA A 51 4.497 0.161 -5.757 1.00 0.00 N ATOM 788 CA ALA A 51 5.091 0.725 -4.549 1.00 0.00 C ATOM 789 C ALA A 51 6.369 1.498 -4.862 1.00 0.00 C ATOM 790 O ALA A 51 6.608 2.566 -4.298 1.00 0.00 O ATOM 791 CB ALA A 51 5.376 -0.375 -3.538 1.00 0.00 C ATOM 0 H ALA A 51 4.481 -0.859 -5.780 1.00 0.00 H new ATOM 0 HA ALA A 51 4.373 1.425 -4.122 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.819 0.060 -2.642 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.445 -0.878 -3.275 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.068 -1.097 -3.971 1.00 0.00 H new ATOM 797 N ALA A 52 7.180 0.963 -5.771 1.00 0.00 N ATOM 798 CA ALA A 52 8.436 1.604 -6.143 1.00 0.00 C ATOM 799 C ALA A 52 8.177 2.935 -6.845 1.00 0.00 C ATOM 800 O ALA A 52 8.831 3.943 -6.564 1.00 0.00 O ATOM 801 CB ALA A 52 9.253 0.681 -7.036 1.00 0.00 C ATOM 0 H ALA A 52 6.990 0.089 -6.262 1.00 0.00 H new ATOM 0 HA ALA A 52 9.003 1.804 -5.234 1.00 0.00 H new ATOM 0 HB1 ALA A 52 10.188 1.171 -7.307 1.00 0.00 H new ATOM 0 HB2 ALA A 52 9.469 -0.244 -6.502 1.00 0.00 H new ATOM 0 HB3 ALA A 52 8.687 0.454 -7.940 1.00 0.00 H new ATOM 807 N ARG A 53 7.213 2.923 -7.755 1.00 0.00 N ATOM 808 CA ARG A 53 6.812 4.101 -8.493 1.00 0.00 C ATOM 809 C ARG A 53 6.189 5.131 -7.556 1.00 0.00 C ATOM 810 O ARG A 53 6.460 6.329 -7.661 1.00 0.00 O ATOM 811 CB ARG A 53 5.803 3.665 -9.550 1.00 0.00 C ATOM 812 CG ARG A 53 5.984 4.344 -10.882 1.00 0.00 C ATOM 813 CD ARG A 53 4.971 3.835 -11.893 1.00 0.00 C ATOM 814 NE ARG A 53 5.248 4.300 -13.250 1.00 0.00 N ATOM 815 CZ ARG A 53 5.527 3.485 -14.266 1.00 0.00 C ATOM 816 NH1 ARG A 53 5.656 2.182 -14.053 1.00 0.00 N ATOM 817 NH2 ARG A 53 5.696 3.972 -15.487 1.00 0.00 N ATOM 0 H ARG A 53 6.686 2.085 -8.000 1.00 0.00 H new ATOM 0 HA ARG A 53 7.678 4.565 -8.964 1.00 0.00 H new ATOM 0 HB2 ARG A 53 5.880 2.587 -9.689 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.797 3.868 -9.183 1.00 0.00 H new ATOM 0 HG2 ARG A 53 5.875 5.422 -10.763 1.00 0.00 H new ATOM 0 HG3 ARG A 53 6.994 4.165 -11.251 1.00 0.00 H new ATOM 0 HD2 ARG A 53 4.967 2.745 -11.880 1.00 0.00 H new ATOM 0 HD3 ARG A 53 3.974 4.161 -11.598 1.00 0.00 H new ATOM 0 HE ARG A 53 5.227 5.304 -13.429 1.00 0.00 H new ATOM 0 HH11 ARG A 53 5.542 1.805 -13.112 1.00 0.00 H new ATOM 0 HH12 ARG A 53 5.870 1.557 -14.830 1.00 0.00 H new ATOM 0 HH21 ARG A 53 5.613 4.975 -15.652 1.00 0.00 H new ATOM 0 HH22 ARG A 53 5.910 3.344 -16.262 1.00 0.00 H new ATOM 831 N TRP A 54 5.360 4.647 -6.638 1.00 0.00 N ATOM 832 CA TRP A 54 4.705 5.504 -5.661 1.00 0.00 C ATOM 833 C TRP A 54 5.737 6.208 -4.794 1.00 0.00 C ATOM 834 O TRP A 54 5.679 7.422 -4.613 1.00 0.00 O ATOM 835 CB TRP A 54 3.751 4.682 -4.789 1.00 0.00 C ATOM 836 CG TRP A 54 2.973 5.501 -3.805 1.00 0.00 C ATOM 837 CD1 TRP A 54 1.844 6.222 -4.055 1.00 0.00 C ATOM 838 CD2 TRP A 54 3.265 5.679 -2.413 1.00 0.00 C ATOM 839 NE1 TRP A 54 1.416 6.844 -2.908 1.00 0.00 N ATOM 840 CE2 TRP A 54 2.272 6.526 -1.884 1.00 0.00 C ATOM 841 CE3 TRP A 54 4.272 5.211 -1.564 1.00 0.00 C ATOM 842 CZ2 TRP A 54 2.252 6.905 -0.544 1.00 0.00 C ATOM 843 CZ3 TRP A 54 4.250 5.588 -0.235 1.00 0.00 C ATOM 844 CH2 TRP A 54 3.250 6.429 0.263 1.00 0.00 C ATOM 0 H TRP A 54 5.125 3.658 -6.551 1.00 0.00 H new ATOM 0 HA TRP A 54 4.128 6.259 -6.195 1.00 0.00 H new ATOM 0 HB2 TRP A 54 3.054 4.147 -5.434 1.00 0.00 H new ATOM 0 HB3 TRP A 54 4.325 3.930 -4.248 1.00 0.00 H new ATOM 0 HD1 TRP A 54 1.356 6.294 -5.016 1.00 0.00 H new ATOM 0 HE1 TRP A 54 0.595 7.445 -2.830 1.00 0.00 H new ATOM 0 HE3 TRP A 54 5.053 4.567 -1.940 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 1.478 7.550 -0.156 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 5.019 5.227 0.431 1.00 0.00 H new ATOM 0 HH2 TRP A 54 3.265 6.709 1.306 1.00 0.00 H new ATOM 855 N ALA A 55 6.690 5.442 -4.276 1.00 0.00 N ATOM 856 CA ALA A 55 7.735 5.989 -3.423 1.00 0.00 C ATOM 857 C ALA A 55 8.514 7.086 -4.141 1.00 0.00 C ATOM 858 O ALA A 55 8.751 8.154 -3.582 1.00 0.00 O ATOM 859 CB ALA A 55 8.674 4.884 -2.971 1.00 0.00 C ATOM 0 H ALA A 55 6.759 4.437 -4.433 1.00 0.00 H new ATOM 0 HA ALA A 55 7.261 6.432 -2.547 1.00 0.00 H new ATOM 0 HB1 ALA A 55 9.451 5.305 -2.334 1.00 0.00 H new ATOM 0 HB2 ALA A 55 8.113 4.135 -2.412 1.00 0.00 H new ATOM 0 HB3 ALA A 55 9.133 4.417 -3.843 1.00 0.00 H new ATOM 865 N GLU A 56 8.889 6.821 -5.387 1.00 0.00 N ATOM 866 CA GLU A 56 9.634 7.770 -6.192 1.00 0.00 C ATOM 867 C GLU A 56 8.865 9.079 -6.372 1.00 0.00 C ATOM 868 O GLU A 56 9.418 10.169 -6.186 1.00 0.00 O ATOM 869 CB GLU A 56 9.937 7.131 -7.540 1.00 0.00 C ATOM 870 CG GLU A 56 11.274 6.411 -7.579 1.00 0.00 C ATOM 871 CD GLU A 56 12.443 7.321 -7.261 1.00 0.00 C ATOM 872 OE1 GLU A 56 12.834 8.119 -8.141 1.00 0.00 O ATOM 873 OE2 GLU A 56 12.984 7.234 -6.141 1.00 0.00 O ATOM 0 H GLU A 56 8.684 5.943 -5.863 1.00 0.00 H new ATOM 0 HA GLU A 56 10.565 8.018 -5.682 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.145 6.424 -7.785 1.00 0.00 H new ATOM 0 HB3 GLU A 56 9.925 7.902 -8.310 1.00 0.00 H new ATOM 0 HG2 GLU A 56 11.258 5.586 -6.867 1.00 0.00 H new ATOM 0 HG3 GLU A 56 11.418 5.975 -8.568 1.00 0.00 H new ATOM 880 N GLY A 57 7.586 8.969 -6.712 1.00 0.00 N ATOM 881 CA GLY A 57 6.765 10.150 -6.894 1.00 0.00 C ATOM 882 C GLY A 57 6.498 10.874 -5.589 1.00 0.00 C ATOM 883 O GLY A 57 6.533 12.102 -5.535 1.00 0.00 O ATOM 0 H GLY A 57 7.104 8.083 -6.865 1.00 0.00 H new ATOM 0 HA2 GLY A 57 7.259 10.829 -7.589 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.816 9.864 -7.348 1.00 0.00 H new ATOM 887 N ALA A 58 6.240 10.110 -4.534 1.00 0.00 N ATOM 888 CA ALA A 58 5.973 10.677 -3.219 1.00 0.00 C ATOM 889 C ALA A 58 7.192 11.418 -2.685 1.00 0.00 C ATOM 890 O ALA A 58 7.066 12.492 -2.100 1.00 0.00 O ATOM 891 CB ALA A 58 5.545 9.588 -2.252 1.00 0.00 C ATOM 0 H ALA A 58 6.210 9.091 -4.565 1.00 0.00 H new ATOM 0 HA ALA A 58 5.160 11.396 -3.317 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.349 10.027 -1.274 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.639 9.108 -2.622 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.339 8.846 -2.165 1.00 0.00 H new ATOM 897 N LEU A 59 8.369 10.845 -2.904 1.00 0.00 N ATOM 898 CA LEU A 59 9.615 11.467 -2.505 1.00 0.00 C ATOM 899 C LEU A 59 9.803 12.809 -3.202 1.00 0.00 C ATOM 900 O LEU A 59 10.289 13.764 -2.601 1.00 0.00 O ATOM 901 CB LEU A 59 10.777 10.532 -2.829 1.00 0.00 C ATOM 902 CG LEU A 59 10.984 9.383 -1.838 1.00 0.00 C ATOM 903 CD1 LEU A 59 12.129 8.487 -2.289 1.00 0.00 C ATOM 904 CD2 LEU A 59 11.250 9.926 -0.439 1.00 0.00 C ATOM 0 H LEU A 59 8.481 9.940 -3.361 1.00 0.00 H new ATOM 0 HA LEU A 59 9.587 11.650 -1.431 1.00 0.00 H new ATOM 0 HB2 LEU A 59 10.618 10.110 -3.821 1.00 0.00 H new ATOM 0 HB3 LEU A 59 11.694 11.120 -2.876 1.00 0.00 H new ATOM 0 HG LEU A 59 10.072 8.786 -1.809 1.00 0.00 H new ATOM 0 HD11 LEU A 59 12.261 7.676 -1.572 1.00 0.00 H new ATOM 0 HD12 LEU A 59 11.900 8.070 -3.270 1.00 0.00 H new ATOM 0 HD13 LEU A 59 13.047 9.072 -2.348 1.00 0.00 H new ATOM 0 HD21 LEU A 59 11.395 9.096 0.252 1.00 0.00 H new ATOM 0 HD22 LEU A 59 12.146 10.546 -0.454 1.00 0.00 H new ATOM 0 HD23 LEU A 59 10.400 10.525 -0.113 1.00 0.00 H new ATOM 916 N GLU A 60 9.400 12.876 -4.466 1.00 0.00 N ATOM 917 CA GLU A 60 9.482 14.118 -5.226 1.00 0.00 C ATOM 918 C GLU A 60 8.479 15.132 -4.673 1.00 0.00 C ATOM 919 O GLU A 60 8.786 16.314 -4.529 1.00 0.00 O ATOM 920 CB GLU A 60 9.190 13.853 -6.706 1.00 0.00 C ATOM 921 CG GLU A 60 9.735 14.924 -7.641 1.00 0.00 C ATOM 922 CD GLU A 60 11.253 14.948 -7.679 1.00 0.00 C ATOM 923 OE1 GLU A 60 11.856 13.891 -7.958 1.00 0.00 O ATOM 924 OE2 GLU A 60 11.848 16.019 -7.432 1.00 0.00 O ATOM 0 H GLU A 60 9.014 12.087 -4.985 1.00 0.00 H new ATOM 0 HA GLU A 60 10.490 14.522 -5.133 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.617 12.889 -6.984 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.112 13.776 -6.846 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.353 14.752 -8.647 1.00 0.00 H new ATOM 0 HG3 GLU A 60 9.368 15.900 -7.323 1.00 0.00 H new ATOM 931 N LEU A 61 7.286 14.645 -4.342 1.00 0.00 N ATOM 932 CA LEU A 61 6.207 15.488 -3.835 1.00 0.00 C ATOM 933 C LEU A 61 6.604 16.178 -2.531 1.00 0.00 C ATOM 934 O LEU A 61 6.474 17.395 -2.400 1.00 0.00 O ATOM 935 CB LEU A 61 4.945 14.649 -3.615 1.00 0.00 C ATOM 936 CG LEU A 61 3.737 15.411 -3.062 1.00 0.00 C ATOM 937 CD1 LEU A 61 3.246 16.445 -4.065 1.00 0.00 C ATOM 938 CD2 LEU A 61 2.623 14.443 -2.700 1.00 0.00 C ATOM 0 H LEU A 61 7.040 13.658 -4.417 1.00 0.00 H new ATOM 0 HA LEU A 61 6.007 16.259 -4.579 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.662 14.193 -4.564 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.185 13.836 -2.930 1.00 0.00 H new ATOM 0 HG LEU A 61 4.046 15.937 -2.159 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.388 16.974 -3.651 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.045 17.157 -4.274 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.954 15.946 -4.989 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.771 14.999 -2.308 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.318 13.890 -3.589 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.980 13.745 -1.943 1.00 0.00 H new ATOM 950 N ILE A 62 7.096 15.404 -1.574 1.00 0.00 N ATOM 951 CA ILE A 62 7.468 15.945 -0.268 1.00 0.00 C ATOM 952 C ILE A 62 8.747 16.777 -0.352 1.00 0.00 C ATOM 953 O ILE A 62 9.046 17.571 0.541 1.00 0.00 O ATOM 954 CB ILE A 62 7.651 14.829 0.782 1.00 0.00 C ATOM 955 CG1 ILE A 62 8.708 13.818 0.324 1.00 0.00 C ATOM 956 CG2 ILE A 62 6.321 14.136 1.049 1.00 0.00 C ATOM 957 CD1 ILE A 62 8.996 12.733 1.338 1.00 0.00 C ATOM 0 H ILE A 62 7.248 14.400 -1.674 1.00 0.00 H new ATOM 0 HA ILE A 62 6.646 16.588 0.046 1.00 0.00 H new ATOM 0 HB ILE A 62 8.000 15.281 1.710 1.00 0.00 H new ATOM 0 HG12 ILE A 62 8.376 13.355 -0.605 1.00 0.00 H new ATOM 0 HG13 ILE A 62 9.633 14.350 0.102 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.463 13.351 1.791 1.00 0.00 H new ATOM 0 HG22 ILE A 62 5.600 14.863 1.423 1.00 0.00 H new ATOM 0 HG23 ILE A 62 5.947 13.698 0.124 1.00 0.00 H new ATOM 0 HD11 ILE A 62 9.753 12.057 0.942 1.00 0.00 H new ATOM 0 HD12 ILE A 62 9.360 13.185 2.261 1.00 0.00 H new ATOM 0 HD13 ILE A 62 8.083 12.175 1.543 1.00 0.00 H new ATOM 969 N LYS A 63 9.495 16.583 -1.426 1.00 0.00 N ATOM 970 CA LYS A 63 10.727 17.325 -1.657 1.00 0.00 C ATOM 971 C LYS A 63 10.433 18.696 -2.259 1.00 0.00 C ATOM 972 O LYS A 63 10.911 19.725 -1.772 1.00 0.00 O ATOM 973 CB LYS A 63 11.630 16.525 -2.600 1.00 0.00 C ATOM 974 CG LYS A 63 12.713 17.344 -3.277 1.00 0.00 C ATOM 975 CD LYS A 63 13.242 16.624 -4.503 1.00 0.00 C ATOM 976 CE LYS A 63 14.015 17.562 -5.408 1.00 0.00 C ATOM 977 NZ LYS A 63 14.328 16.924 -6.708 1.00 0.00 N ATOM 0 H LYS A 63 9.268 15.911 -2.159 1.00 0.00 H new ATOM 0 HA LYS A 63 11.230 17.475 -0.702 1.00 0.00 H new ATOM 0 HB2 LYS A 63 12.100 15.719 -2.036 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.011 16.059 -3.367 1.00 0.00 H new ATOM 0 HG2 LYS A 63 12.314 18.317 -3.564 1.00 0.00 H new ATOM 0 HG3 LYS A 63 13.528 17.528 -2.577 1.00 0.00 H new ATOM 0 HD2 LYS A 63 13.887 15.802 -4.193 1.00 0.00 H new ATOM 0 HD3 LYS A 63 12.411 16.186 -5.056 1.00 0.00 H new ATOM 0 HE2 LYS A 63 13.434 18.468 -5.577 1.00 0.00 H new ATOM 0 HE3 LYS A 63 14.940 17.863 -4.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 14.575 17.657 -7.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 15.131 16.273 -6.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 13.499 16.394 -7.043 1.00 0.00 H new ATOM 991 N VAL A 64 9.636 18.696 -3.315 1.00 0.00 N ATOM 992 CA VAL A 64 9.353 19.908 -4.070 1.00 0.00 C ATOM 993 C VAL A 64 8.232 20.720 -3.428 1.00 0.00 C ATOM 994 O VAL A 64 8.279 21.951 -3.412 1.00 0.00 O ATOM 995 CB VAL A 64 8.978 19.572 -5.532 1.00 0.00 C ATOM 996 CG1 VAL A 64 8.618 20.829 -6.311 1.00 0.00 C ATOM 997 CG2 VAL A 64 10.115 18.829 -6.219 1.00 0.00 C ATOM 0 H VAL A 64 9.169 17.862 -3.672 1.00 0.00 H new ATOM 0 HA VAL A 64 10.262 20.509 -4.063 1.00 0.00 H new ATOM 0 HB VAL A 64 8.101 18.925 -5.511 1.00 0.00 H new ATOM 0 HG11 VAL A 64 8.359 20.561 -7.335 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.767 21.319 -5.838 1.00 0.00 H new ATOM 0 HG13 VAL A 64 9.470 21.509 -6.318 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.832 18.601 -7.247 1.00 0.00 H new ATOM 0 HG22 VAL A 64 11.010 19.452 -6.218 1.00 0.00 H new ATOM 0 HG23 VAL A 64 10.319 17.901 -5.685 1.00 0.00 H new ATOM 1007 N ARG A 65 7.234 20.040 -2.886 1.00 0.00 N ATOM 1008 CA ARG A 65 6.087 20.725 -2.313 1.00 0.00 C ATOM 1009 C ARG A 65 6.192 20.798 -0.787 1.00 0.00 C ATOM 1010 O ARG A 65 6.923 21.630 -0.254 1.00 0.00 O ATOM 1011 CB ARG A 65 4.779 20.044 -2.752 1.00 0.00 C ATOM 1012 CG ARG A 65 3.513 20.715 -2.234 1.00 0.00 C ATOM 1013 CD ARG A 65 3.390 22.153 -2.719 1.00 0.00 C ATOM 1014 NE ARG A 65 2.206 22.806 -2.167 1.00 0.00 N ATOM 1015 CZ ARG A 65 1.866 24.075 -2.403 1.00 0.00 C ATOM 1016 NH1 ARG A 65 2.637 24.849 -3.155 1.00 0.00 N ATOM 1017 NH2 ARG A 65 0.756 24.570 -1.874 1.00 0.00 N ATOM 0 H ARG A 65 7.195 19.022 -2.831 1.00 0.00 H new ATOM 0 HA ARG A 65 6.078 21.749 -2.688 1.00 0.00 H new ATOM 0 HB2 ARG A 65 4.744 20.022 -3.841 1.00 0.00 H new ATOM 0 HB3 ARG A 65 4.791 19.008 -2.412 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.642 20.147 -2.560 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.514 20.699 -1.144 1.00 0.00 H new ATOM 0 HD2 ARG A 65 4.281 22.712 -2.433 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.340 22.168 -3.808 1.00 0.00 H new ATOM 0 HE ARG A 65 1.598 22.255 -1.561 1.00 0.00 H new ATOM 0 HH11 ARG A 65 3.497 24.476 -3.558 1.00 0.00 H new ATOM 0 HH12 ARG A 65 2.370 25.818 -3.331 1.00 0.00 H new ATOM 0 HH21 ARG A 65 0.164 23.981 -1.288 1.00 0.00 H new ATOM 0 HH22 ARG A 65 0.494 25.539 -2.053 1.00 0.00 H new ATOM 1031 N ARG A 66 5.494 19.909 -0.089 1.00 0.00 N ATOM 1032 CA ARG A 66 5.392 19.974 1.365 1.00 0.00 C ATOM 1033 C ARG A 66 5.093 18.597 1.936 1.00 0.00 C ATOM 1034 O ARG A 66 4.244 17.882 1.406 1.00 0.00 O ATOM 1035 CB ARG A 66 4.265 20.929 1.798 1.00 0.00 C ATOM 1036 CG ARG A 66 4.508 22.398 1.482 1.00 0.00 C ATOM 1037 CD ARG A 66 5.567 23.006 2.386 1.00 0.00 C ATOM 1038 NE ARG A 66 5.127 23.065 3.780 1.00 0.00 N ATOM 1039 CZ ARG A 66 5.859 23.570 4.770 1.00 0.00 C ATOM 1040 NH1 ARG A 66 7.057 24.085 4.518 1.00 0.00 N ATOM 1041 NH2 ARG A 66 5.386 23.579 6.009 1.00 0.00 N ATOM 0 H ARG A 66 4.987 19.130 -0.510 1.00 0.00 H new ATOM 0 HA ARG A 66 6.347 20.341 1.743 1.00 0.00 H new ATOM 0 HB2 ARG A 66 3.339 20.617 1.314 1.00 0.00 H new ATOM 0 HB3 ARG A 66 4.114 20.824 2.872 1.00 0.00 H new ATOM 0 HG2 ARG A 66 4.818 22.499 0.442 1.00 0.00 H new ATOM 0 HG3 ARG A 66 3.576 22.952 1.592 1.00 0.00 H new ATOM 0 HD2 ARG A 66 6.482 22.418 2.319 1.00 0.00 H new ATOM 0 HD3 ARG A 66 5.807 24.011 2.039 1.00 0.00 H new ATOM 0 HE ARG A 66 4.203 22.697 4.007 1.00 0.00 H new ATOM 0 HH11 ARG A 66 7.418 24.094 3.564 1.00 0.00 H new ATOM 0 HH12 ARG A 66 7.616 24.472 5.278 1.00 0.00 H new ATOM 0 HH21 ARG A 66 4.460 23.198 6.204 1.00 0.00 H new ATOM 0 HH22 ARG A 66 5.948 23.966 6.767 1.00 0.00 H new ATOM 1055 N PRO A 67 5.796 18.203 3.001 1.00 0.00 N ATOM 1056 CA PRO A 67 5.447 17.032 3.784 1.00 0.00 C ATOM 1057 C PRO A 67 4.539 17.418 4.952 1.00 0.00 C ATOM 1058 O PRO A 67 4.992 18.006 5.939 1.00 0.00 O ATOM 1059 CB PRO A 67 6.806 16.533 4.279 1.00 0.00 C ATOM 1060 CG PRO A 67 7.730 17.719 4.231 1.00 0.00 C ATOM 1061 CD PRO A 67 7.008 18.844 3.522 1.00 0.00 C ATOM 0 HA PRO A 67 4.897 16.278 3.221 1.00 0.00 H new ATOM 0 HB2 PRO A 67 6.731 16.139 5.292 1.00 0.00 H new ATOM 0 HB3 PRO A 67 7.177 15.724 3.649 1.00 0.00 H new ATOM 0 HG2 PRO A 67 8.013 18.023 5.239 1.00 0.00 H new ATOM 0 HG3 PRO A 67 8.650 17.465 3.705 1.00 0.00 H new ATOM 0 HD2 PRO A 67 6.768 19.659 4.205 1.00 0.00 H new ATOM 0 HD3 PRO A 67 7.614 19.267 2.721 1.00 0.00 H new ATOM 1069 N LYS A 68 3.255 17.128 4.830 1.00 0.00 N ATOM 1070 CA LYS A 68 2.291 17.560 5.832 1.00 0.00 C ATOM 1071 C LYS A 68 2.056 16.479 6.884 1.00 0.00 C ATOM 1072 O LYS A 68 2.275 16.712 8.075 1.00 0.00 O ATOM 1073 CB LYS A 68 0.981 17.972 5.155 1.00 0.00 C ATOM 1074 CG LYS A 68 1.043 19.355 4.515 1.00 0.00 C ATOM 1075 CD LYS A 68 0.393 19.379 3.137 1.00 0.00 C ATOM 1076 CE LYS A 68 1.235 18.630 2.115 1.00 0.00 C ATOM 1077 NZ LYS A 68 0.615 18.628 0.762 1.00 0.00 N ATOM 0 H LYS A 68 2.856 16.599 4.054 1.00 0.00 H new ATOM 0 HA LYS A 68 2.700 18.426 6.352 1.00 0.00 H new ATOM 0 HB2 LYS A 68 0.728 17.237 4.391 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.178 17.956 5.892 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.545 20.076 5.163 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.084 19.668 4.430 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.599 18.931 3.193 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.259 20.411 2.814 1.00 0.00 H new ATOM 0 HE2 LYS A 68 2.223 19.086 2.058 1.00 0.00 H new ATOM 0 HE3 LYS A 68 1.377 17.602 2.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.099 17.933 0.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -0.391 18.376 0.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 0.703 19.574 0.339 1.00 0.00 H new ATOM 1091 N TYR A 69 1.625 15.305 6.456 1.00 0.00 N ATOM 1092 CA TYR A 69 1.400 14.206 7.381 1.00 0.00 C ATOM 1093 C TYR A 69 2.513 13.185 7.244 1.00 0.00 C ATOM 1094 O TYR A 69 3.164 12.812 8.223 1.00 0.00 O ATOM 1095 CB TYR A 69 0.061 13.519 7.109 1.00 0.00 C ATOM 1096 CG TYR A 69 -1.137 14.437 7.131 1.00 0.00 C ATOM 1097 CD1 TYR A 69 -1.809 14.713 8.315 1.00 0.00 C ATOM 1098 CD2 TYR A 69 -1.615 15.001 5.959 1.00 0.00 C ATOM 1099 CE1 TYR A 69 -2.924 15.530 8.326 1.00 0.00 C ATOM 1100 CE2 TYR A 69 -2.721 15.823 5.962 1.00 0.00 C ATOM 1101 CZ TYR A 69 -3.374 16.081 7.146 1.00 0.00 C ATOM 1102 OH TYR A 69 -4.490 16.885 7.146 1.00 0.00 O ATOM 0 H TYR A 69 1.425 15.088 5.480 1.00 0.00 H new ATOM 0 HA TYR A 69 1.385 14.615 8.391 1.00 0.00 H new ATOM 0 HB2 TYR A 69 0.110 13.032 6.135 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -0.086 12.734 7.851 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -1.455 14.283 9.240 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -1.112 14.793 5.026 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -3.439 15.735 9.253 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -3.074 16.262 5.041 1.00 0.00 H new ATOM 0 HH TYR A 69 -5.136 16.548 6.491 1.00 0.00 H new ATOM 1112 N VAL A 70 2.720 12.732 6.018 1.00 0.00 N ATOM 1113 CA VAL A 70 3.735 11.732 5.737 1.00 0.00 C ATOM 1114 C VAL A 70 5.138 12.344 5.800 1.00 0.00 C ATOM 1115 O VAL A 70 5.317 13.548 5.606 1.00 0.00 O ATOM 1116 CB VAL A 70 3.504 11.075 4.356 1.00 0.00 C ATOM 1117 CG1 VAL A 70 3.792 12.055 3.225 1.00 0.00 C ATOM 1118 CG2 VAL A 70 4.331 9.805 4.209 1.00 0.00 C ATOM 0 H VAL A 70 2.196 13.043 5.200 1.00 0.00 H new ATOM 0 HA VAL A 70 3.656 10.960 6.503 1.00 0.00 H new ATOM 0 HB VAL A 70 2.452 10.796 4.291 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.621 11.565 2.267 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.132 12.918 3.314 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.829 12.384 3.284 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.149 9.364 3.229 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.389 10.047 4.308 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.047 9.094 4.985 1.00 0.00 H new ATOM 1128 N HIS A 71 6.127 11.510 6.092 1.00 0.00 N ATOM 1129 CA HIS A 71 7.512 11.957 6.169 1.00 0.00 C ATOM 1130 C HIS A 71 8.367 11.127 5.219 1.00 0.00 C ATOM 1131 O HIS A 71 7.931 10.071 4.757 1.00 0.00 O ATOM 1132 CB HIS A 71 8.054 11.833 7.602 1.00 0.00 C ATOM 1133 CG HIS A 71 7.207 12.515 8.638 1.00 0.00 C ATOM 1134 ND1 HIS A 71 7.266 13.868 8.894 1.00 0.00 N ATOM 1135 CD2 HIS A 71 6.269 12.018 9.479 1.00 0.00 C ATOM 1136 CE1 HIS A 71 6.403 14.173 9.847 1.00 0.00 C ATOM 1137 NE2 HIS A 71 5.787 13.068 10.215 1.00 0.00 N ATOM 0 H HIS A 71 5.995 10.516 6.280 1.00 0.00 H new ATOM 0 HA HIS A 71 7.553 13.007 5.880 1.00 0.00 H new ATOM 0 HB2 HIS A 71 8.140 10.777 7.856 1.00 0.00 H new ATOM 0 HB3 HIS A 71 9.060 12.252 7.636 1.00 0.00 H new ATOM 0 HD2 HIS A 71 5.959 10.986 9.555 1.00 0.00 H new ATOM 0 HE1 HIS A 71 6.232 15.159 10.254 1.00 0.00 H new ATOM 0 HE2 HIS A 71 5.066 13.004 10.934 1.00 0.00 H new ATOM 1146 N LYS A 72 9.576 11.601 4.939 1.00 0.00 N ATOM 1147 CA LYS A 72 10.503 10.902 4.050 1.00 0.00 C ATOM 1148 C LYS A 72 10.769 9.487 4.568 1.00 0.00 C ATOM 1149 O LYS A 72 10.843 8.533 3.792 1.00 0.00 O ATOM 1150 CB LYS A 72 11.807 11.710 3.938 1.00 0.00 C ATOM 1151 CG LYS A 72 12.806 11.193 2.906 1.00 0.00 C ATOM 1152 CD LYS A 72 13.724 10.130 3.488 1.00 0.00 C ATOM 1153 CE LYS A 72 14.857 9.785 2.533 1.00 0.00 C ATOM 1154 NZ LYS A 72 15.769 8.759 3.105 1.00 0.00 N ATOM 0 H LYS A 72 9.941 12.475 5.318 1.00 0.00 H new ATOM 0 HA LYS A 72 10.062 10.813 3.057 1.00 0.00 H new ATOM 0 HB2 LYS A 72 11.556 12.742 3.692 1.00 0.00 H new ATOM 0 HB3 LYS A 72 12.292 11.724 4.914 1.00 0.00 H new ATOM 0 HG2 LYS A 72 12.266 10.780 2.054 1.00 0.00 H new ATOM 0 HG3 LYS A 72 13.404 12.024 2.532 1.00 0.00 H new ATOM 0 HD2 LYS A 72 14.138 10.483 4.432 1.00 0.00 H new ATOM 0 HD3 LYS A 72 13.147 9.232 3.709 1.00 0.00 H new ATOM 0 HE2 LYS A 72 14.442 9.419 1.594 1.00 0.00 H new ATOM 0 HE3 LYS A 72 15.424 10.687 2.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 16.413 8.415 2.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 16.324 9.180 3.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 15.209 7.964 3.474 1.00 0.00 H new ATOM 1168 N GLU A 73 10.880 9.368 5.887 1.00 0.00 N ATOM 1169 CA GLU A 73 11.087 8.081 6.545 1.00 0.00 C ATOM 1170 C GLU A 73 9.937 7.124 6.231 1.00 0.00 C ATOM 1171 O GLU A 73 10.153 5.955 5.899 1.00 0.00 O ATOM 1172 CB GLU A 73 11.177 8.282 8.059 1.00 0.00 C ATOM 1173 CG GLU A 73 12.167 9.351 8.481 1.00 0.00 C ATOM 1174 CD GLU A 73 12.027 9.711 9.944 1.00 0.00 C ATOM 1175 OE1 GLU A 73 11.128 10.516 10.276 1.00 0.00 O ATOM 1176 OE2 GLU A 73 12.806 9.189 10.766 1.00 0.00 O ATOM 0 H GLU A 73 10.829 10.159 6.530 1.00 0.00 H new ATOM 0 HA GLU A 73 12.017 7.650 6.174 1.00 0.00 H new ATOM 0 HB2 GLU A 73 10.190 8.545 8.440 1.00 0.00 H new ATOM 0 HB3 GLU A 73 11.457 7.337 8.525 1.00 0.00 H new ATOM 0 HG2 GLU A 73 13.181 9.001 8.290 1.00 0.00 H new ATOM 0 HG3 GLU A 73 12.018 10.243 7.873 1.00 0.00 H new ATOM 1183 N GLN A 74 8.715 7.648 6.313 1.00 0.00 N ATOM 1184 CA GLN A 74 7.509 6.848 6.138 1.00 0.00 C ATOM 1185 C GLN A 74 7.372 6.334 4.710 1.00 0.00 C ATOM 1186 O GLN A 74 6.918 5.215 4.496 1.00 0.00 O ATOM 1187 CB GLN A 74 6.269 7.661 6.511 1.00 0.00 C ATOM 1188 CG GLN A 74 6.199 8.046 7.980 1.00 0.00 C ATOM 1189 CD GLN A 74 6.264 6.840 8.897 1.00 0.00 C ATOM 1190 OE1 GLN A 74 7.340 6.433 9.330 1.00 0.00 O ATOM 1191 NE2 GLN A 74 5.115 6.249 9.187 1.00 0.00 N ATOM 0 H GLN A 74 8.536 8.634 6.502 1.00 0.00 H new ATOM 0 HA GLN A 74 7.594 5.987 6.802 1.00 0.00 H new ATOM 0 HB2 GLN A 74 6.247 8.568 5.907 1.00 0.00 H new ATOM 0 HB3 GLN A 74 5.380 7.086 6.254 1.00 0.00 H new ATOM 0 HG2 GLN A 74 7.021 8.723 8.215 1.00 0.00 H new ATOM 0 HG3 GLN A 74 5.274 8.591 8.166 1.00 0.00 H new ATOM 0 HE21 GLN A 74 4.242 6.617 8.808 1.00 0.00 H new ATOM 0 HE22 GLN A 74 5.103 5.426 9.789 1.00 0.00 H new ATOM 1200 N ILE A 75 7.763 7.154 3.742 1.00 0.00 N ATOM 1201 CA ILE A 75 7.653 6.786 2.332 1.00 0.00 C ATOM 1202 C ILE A 75 8.428 5.504 2.040 1.00 0.00 C ATOM 1203 O ILE A 75 7.920 4.592 1.383 1.00 0.00 O ATOM 1204 CB ILE A 75 8.156 7.926 1.412 1.00 0.00 C ATOM 1205 CG1 ILE A 75 7.279 9.176 1.578 1.00 0.00 C ATOM 1206 CG2 ILE A 75 8.173 7.477 -0.044 1.00 0.00 C ATOM 1207 CD1 ILE A 75 5.833 8.962 1.182 1.00 0.00 C ATOM 0 H ILE A 75 8.160 8.079 3.906 1.00 0.00 H new ATOM 0 HA ILE A 75 6.597 6.614 2.123 1.00 0.00 H new ATOM 0 HB ILE A 75 9.176 8.176 1.704 1.00 0.00 H new ATOM 0 HG12 ILE A 75 7.317 9.501 2.618 1.00 0.00 H new ATOM 0 HG13 ILE A 75 7.696 9.984 0.976 1.00 0.00 H new ATOM 0 HG21 ILE A 75 8.530 8.293 -0.672 1.00 0.00 H new ATOM 0 HG22 ILE A 75 8.837 6.619 -0.152 1.00 0.00 H new ATOM 0 HG23 ILE A 75 7.165 7.197 -0.350 1.00 0.00 H new ATOM 0 HD11 ILE A 75 5.276 9.887 1.326 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.783 8.667 0.134 1.00 0.00 H new ATOM 0 HD13 ILE A 75 5.399 8.177 1.801 1.00 0.00 H new ATOM 1219 N GLU A 76 9.642 5.424 2.563 1.00 0.00 N ATOM 1220 CA GLU A 76 10.476 4.251 2.357 1.00 0.00 C ATOM 1221 C GLU A 76 9.946 3.072 3.165 1.00 0.00 C ATOM 1222 O GLU A 76 10.097 1.914 2.770 1.00 0.00 O ATOM 1223 CB GLU A 76 11.920 4.547 2.750 1.00 0.00 C ATOM 1224 CG GLU A 76 12.541 5.689 1.963 1.00 0.00 C ATOM 1225 CD GLU A 76 14.015 5.857 2.255 1.00 0.00 C ATOM 1226 OE1 GLU A 76 14.357 6.587 3.205 1.00 0.00 O ATOM 1227 OE2 GLU A 76 14.837 5.254 1.534 1.00 0.00 O ATOM 0 H GLU A 76 10.070 6.155 3.131 1.00 0.00 H new ATOM 0 HA GLU A 76 10.447 3.992 1.299 1.00 0.00 H new ATOM 0 HB2 GLU A 76 11.957 4.786 3.813 1.00 0.00 H new ATOM 0 HB3 GLU A 76 12.519 3.648 2.605 1.00 0.00 H new ATOM 0 HG2 GLU A 76 12.403 5.509 0.897 1.00 0.00 H new ATOM 0 HG3 GLU A 76 12.019 6.616 2.200 1.00 0.00 H new ATOM 1234 N ALA A 77 9.315 3.374 4.293 1.00 0.00 N ATOM 1235 CA ALA A 77 8.755 2.344 5.154 1.00 0.00 C ATOM 1236 C ALA A 77 7.544 1.691 4.496 1.00 0.00 C ATOM 1237 O ALA A 77 7.449 0.468 4.432 1.00 0.00 O ATOM 1238 CB ALA A 77 8.378 2.927 6.510 1.00 0.00 C ATOM 0 H ALA A 77 9.179 4.326 4.632 1.00 0.00 H new ATOM 0 HA ALA A 77 9.514 1.577 5.308 1.00 0.00 H new ATOM 0 HB1 ALA A 77 7.961 2.142 7.140 1.00 0.00 H new ATOM 0 HB2 ALA A 77 9.266 3.342 6.987 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.637 3.715 6.374 1.00 0.00 H new ATOM 1244 N VAL A 78 6.637 2.516 3.979 1.00 0.00 N ATOM 1245 CA VAL A 78 5.426 2.022 3.334 1.00 0.00 C ATOM 1246 C VAL A 78 5.773 1.167 2.119 1.00 0.00 C ATOM 1247 O VAL A 78 5.178 0.113 1.906 1.00 0.00 O ATOM 1248 CB VAL A 78 4.497 3.181 2.901 1.00 0.00 C ATOM 1249 CG1 VAL A 78 3.285 2.652 2.152 1.00 0.00 C ATOM 1250 CG2 VAL A 78 4.054 3.992 4.107 1.00 0.00 C ATOM 0 H VAL A 78 6.719 3.533 3.995 1.00 0.00 H new ATOM 0 HA VAL A 78 4.897 1.412 4.067 1.00 0.00 H new ATOM 0 HB VAL A 78 5.060 3.831 2.231 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.647 3.485 1.858 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.613 2.115 1.262 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.725 1.976 2.798 1.00 0.00 H new ATOM 0 HG21 VAL A 78 3.402 4.802 3.781 1.00 0.00 H new ATOM 0 HG22 VAL A 78 3.514 3.347 4.800 1.00 0.00 H new ATOM 0 HG23 VAL A 78 4.929 4.409 4.606 1.00 0.00 H new ATOM 1260 N LYS A 79 6.757 1.619 1.348 1.00 0.00 N ATOM 1261 CA LYS A 79 7.208 0.905 0.156 1.00 0.00 C ATOM 1262 C LYS A 79 7.550 -0.553 0.463 1.00 0.00 C ATOM 1263 O LYS A 79 7.024 -1.474 -0.161 1.00 0.00 O ATOM 1264 CB LYS A 79 8.443 1.607 -0.420 1.00 0.00 C ATOM 1265 CG LYS A 79 9.253 0.749 -1.380 1.00 0.00 C ATOM 1266 CD LYS A 79 10.529 1.451 -1.810 1.00 0.00 C ATOM 1267 CE LYS A 79 11.491 0.490 -2.488 1.00 0.00 C ATOM 1268 NZ LYS A 79 12.083 -0.488 -1.535 1.00 0.00 N ATOM 0 H LYS A 79 7.263 2.486 1.530 1.00 0.00 H new ATOM 0 HA LYS A 79 6.394 0.913 -0.568 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.125 2.512 -0.938 1.00 0.00 H new ATOM 0 HB3 LYS A 79 9.086 1.920 0.402 1.00 0.00 H new ATOM 0 HG2 LYS A 79 9.501 -0.199 -0.902 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.651 0.516 -2.258 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.285 2.266 -2.492 1.00 0.00 H new ATOM 0 HD3 LYS A 79 11.011 1.897 -0.940 1.00 0.00 H new ATOM 0 HE2 LYS A 79 10.966 -0.048 -3.277 1.00 0.00 H new ATOM 0 HE3 LYS A 79 12.290 1.057 -2.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 13.102 -0.305 -1.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 11.624 -0.390 -0.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 11.937 -1.453 -1.893 1.00 0.00 H new ATOM 1282 N ASP A 80 8.423 -0.749 1.439 1.00 0.00 N ATOM 1283 CA ASP A 80 8.920 -2.061 1.775 1.00 0.00 C ATOM 1284 C ASP A 80 7.890 -2.862 2.561 1.00 0.00 C ATOM 1285 O ASP A 80 7.739 -4.071 2.361 1.00 0.00 O ATOM 1286 CB ASP A 80 10.208 -1.897 2.575 1.00 0.00 C ATOM 1287 CG ASP A 80 11.427 -1.708 1.692 1.00 0.00 C ATOM 1288 OD1 ASP A 80 11.608 -0.598 1.141 1.00 0.00 O ATOM 1289 OD2 ASP A 80 12.218 -2.667 1.544 1.00 0.00 O ATOM 0 H ASP A 80 8.803 0.001 2.016 1.00 0.00 H new ATOM 0 HA ASP A 80 9.120 -2.618 0.859 1.00 0.00 H new ATOM 0 HB2 ASP A 80 10.110 -1.039 3.241 1.00 0.00 H new ATOM 0 HB3 ASP A 80 10.354 -2.775 3.205 1.00 0.00 H new ATOM 1294 N ASN A 81 7.178 -2.188 3.451 1.00 0.00 N ATOM 1295 CA ASN A 81 6.166 -2.843 4.273 1.00 0.00 C ATOM 1296 C ASN A 81 5.001 -3.335 3.426 1.00 0.00 C ATOM 1297 O ASN A 81 4.418 -4.376 3.716 1.00 0.00 O ATOM 1298 CB ASN A 81 5.661 -1.895 5.363 1.00 0.00 C ATOM 1299 CG ASN A 81 6.594 -1.840 6.556 1.00 0.00 C ATOM 1300 OD1 ASN A 81 7.218 -2.836 6.918 1.00 0.00 O ATOM 1301 ND2 ASN A 81 6.697 -0.677 7.180 1.00 0.00 N ATOM 0 H ASN A 81 7.280 -1.188 3.624 1.00 0.00 H new ATOM 0 HA ASN A 81 6.632 -3.707 4.746 1.00 0.00 H new ATOM 0 HB2 ASN A 81 5.548 -0.894 4.947 1.00 0.00 H new ATOM 0 HB3 ASN A 81 4.673 -2.217 5.692 1.00 0.00 H new ATOM 0 HD21 ASN A 81 7.310 -0.585 7.990 1.00 0.00 H new ATOM 0 HD22 ASN A 81 6.164 0.128 6.851 1.00 0.00 H new ATOM 1308 N PHE A 82 4.679 -2.595 2.371 1.00 0.00 N ATOM 1309 CA PHE A 82 3.584 -2.962 1.484 1.00 0.00 C ATOM 1310 C PHE A 82 3.887 -4.283 0.777 1.00 0.00 C ATOM 1311 O PHE A 82 2.998 -5.108 0.571 1.00 0.00 O ATOM 1312 CB PHE A 82 3.340 -1.851 0.459 1.00 0.00 C ATOM 1313 CG PHE A 82 2.031 -1.978 -0.261 1.00 0.00 C ATOM 1314 CD1 PHE A 82 0.839 -1.716 0.397 1.00 0.00 C ATOM 1315 CD2 PHE A 82 1.990 -2.352 -1.591 1.00 0.00 C ATOM 1316 CE1 PHE A 82 -0.370 -1.828 -0.260 1.00 0.00 C ATOM 1317 CE2 PHE A 82 0.787 -2.464 -2.254 1.00 0.00 C ATOM 1318 CZ PHE A 82 -0.396 -2.203 -1.589 1.00 0.00 C ATOM 0 H PHE A 82 5.163 -1.736 2.110 1.00 0.00 H new ATOM 0 HA PHE A 82 2.681 -3.092 2.081 1.00 0.00 H new ATOM 0 HB2 PHE A 82 3.375 -0.886 0.965 1.00 0.00 H new ATOM 0 HB3 PHE A 82 4.149 -1.857 -0.271 1.00 0.00 H new ATOM 0 HD1 PHE A 82 0.857 -1.421 1.436 1.00 0.00 H new ATOM 0 HD2 PHE A 82 2.911 -2.559 -2.116 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -1.292 -1.623 0.263 1.00 0.00 H new ATOM 0 HE2 PHE A 82 0.769 -2.756 -3.294 1.00 0.00 H new ATOM 0 HZ PHE A 82 -1.339 -2.292 -2.108 1.00 0.00 H new ATOM 1328 N LEU A 83 5.154 -4.483 0.431 1.00 0.00 N ATOM 1329 CA LEU A 83 5.586 -5.712 -0.225 1.00 0.00 C ATOM 1330 C LEU A 83 5.421 -6.915 0.695 1.00 0.00 C ATOM 1331 O LEU A 83 4.858 -7.936 0.294 1.00 0.00 O ATOM 1332 CB LEU A 83 7.041 -5.593 -0.680 1.00 0.00 C ATOM 1333 CG LEU A 83 7.265 -4.724 -1.919 1.00 0.00 C ATOM 1334 CD1 LEU A 83 8.751 -4.545 -2.181 1.00 0.00 C ATOM 1335 CD2 LEU A 83 6.587 -5.353 -3.126 1.00 0.00 C ATOM 0 H LEU A 83 5.901 -3.808 0.594 1.00 0.00 H new ATOM 0 HA LEU A 83 4.953 -5.863 -1.100 1.00 0.00 H new ATOM 0 HB2 LEU A 83 7.630 -5.186 0.142 1.00 0.00 H new ATOM 0 HB3 LEU A 83 7.425 -6.593 -0.882 1.00 0.00 H new ATOM 0 HG LEU A 83 6.827 -3.742 -1.741 1.00 0.00 H new ATOM 0 HD11 LEU A 83 8.892 -3.924 -3.066 1.00 0.00 H new ATOM 0 HD12 LEU A 83 9.217 -4.063 -1.321 1.00 0.00 H new ATOM 0 HD13 LEU A 83 9.212 -5.519 -2.344 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.752 -4.727 -4.003 1.00 0.00 H new ATOM 0 HD22 LEU A 83 7.005 -6.344 -3.303 1.00 0.00 H new ATOM 0 HD23 LEU A 83 5.517 -5.440 -2.938 1.00 0.00 H new ATOM 1347 N GLU A 84 5.905 -6.793 1.927 1.00 0.00 N ATOM 1348 CA GLU A 84 5.744 -7.863 2.903 1.00 0.00 C ATOM 1349 C GLU A 84 4.268 -8.120 3.162 1.00 0.00 C ATOM 1350 O GLU A 84 3.841 -9.269 3.258 1.00 0.00 O ATOM 1351 CB GLU A 84 6.442 -7.525 4.219 1.00 0.00 C ATOM 1352 CG GLU A 84 7.957 -7.525 4.129 1.00 0.00 C ATOM 1353 CD GLU A 84 8.604 -7.345 5.484 1.00 0.00 C ATOM 1354 OE1 GLU A 84 8.730 -6.194 5.936 1.00 0.00 O ATOM 1355 OE2 GLU A 84 8.985 -8.359 6.108 1.00 0.00 O ATOM 0 H GLU A 84 6.406 -5.974 2.270 1.00 0.00 H new ATOM 0 HA GLU A 84 6.204 -8.761 2.490 1.00 0.00 H new ATOM 0 HB2 GLU A 84 6.108 -6.543 4.555 1.00 0.00 H new ATOM 0 HB3 GLU A 84 6.133 -8.244 4.978 1.00 0.00 H new ATOM 0 HG2 GLU A 84 8.294 -8.463 3.688 1.00 0.00 H new ATOM 0 HG3 GLU A 84 8.281 -6.725 3.463 1.00 0.00 H new ATOM 1362 N LEU A 85 3.502 -7.036 3.246 1.00 0.00 N ATOM 1363 CA LEU A 85 2.066 -7.099 3.496 1.00 0.00 C ATOM 1364 C LEU A 85 1.384 -8.041 2.500 1.00 0.00 C ATOM 1365 O LEU A 85 0.686 -8.976 2.896 1.00 0.00 O ATOM 1366 CB LEU A 85 1.485 -5.680 3.392 1.00 0.00 C ATOM 1367 CG LEU A 85 0.071 -5.464 3.945 1.00 0.00 C ATOM 1368 CD1 LEU A 85 -0.174 -3.980 4.161 1.00 0.00 C ATOM 1369 CD2 LEU A 85 -0.986 -6.022 3.005 1.00 0.00 C ATOM 0 H LEU A 85 3.861 -6.087 3.142 1.00 0.00 H new ATOM 0 HA LEU A 85 1.885 -7.494 4.496 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.159 -4.999 3.911 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.486 -5.390 2.341 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.003 -5.996 4.894 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.180 -3.831 4.554 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.555 -3.591 4.872 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.073 -3.453 3.212 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.976 -5.852 3.428 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -0.914 -5.523 2.039 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.827 -7.092 2.873 1.00 0.00 H new ATOM 1381 N VAL A 86 1.614 -7.800 1.213 1.00 0.00 N ATOM 1382 CA VAL A 86 1.021 -8.616 0.158 1.00 0.00 C ATOM 1383 C VAL A 86 1.456 -10.078 0.285 1.00 0.00 C ATOM 1384 O VAL A 86 0.630 -10.990 0.225 1.00 0.00 O ATOM 1385 CB VAL A 86 1.399 -8.085 -1.246 1.00 0.00 C ATOM 1386 CG1 VAL A 86 0.786 -8.950 -2.340 1.00 0.00 C ATOM 1387 CG2 VAL A 86 0.963 -6.636 -1.407 1.00 0.00 C ATOM 0 H VAL A 86 2.209 -7.044 0.874 1.00 0.00 H new ATOM 0 HA VAL A 86 -0.061 -8.555 0.275 1.00 0.00 H new ATOM 0 HB VAL A 86 2.484 -8.133 -1.343 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.067 -8.555 -3.316 1.00 0.00 H new ATOM 0 HG12 VAL A 86 1.151 -9.972 -2.243 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.300 -8.942 -2.244 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.238 -6.282 -2.400 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.118 -6.565 -1.283 1.00 0.00 H new ATOM 0 HG23 VAL A 86 1.456 -6.022 -0.653 1.00 0.00 H new ATOM 1397 N LEU A 87 2.750 -10.286 0.497 1.00 0.00 N ATOM 1398 CA LEU A 87 3.316 -11.629 0.563 1.00 0.00 C ATOM 1399 C LEU A 87 2.755 -12.421 1.744 1.00 0.00 C ATOM 1400 O LEU A 87 2.255 -13.538 1.576 1.00 0.00 O ATOM 1401 CB LEU A 87 4.842 -11.553 0.667 1.00 0.00 C ATOM 1402 CG LEU A 87 5.561 -12.902 0.746 1.00 0.00 C ATOM 1403 CD1 LEU A 87 5.346 -13.701 -0.530 1.00 0.00 C ATOM 1404 CD2 LEU A 87 7.044 -12.694 1.010 1.00 0.00 C ATOM 0 H LEU A 87 3.431 -9.538 0.627 1.00 0.00 H new ATOM 0 HA LEU A 87 3.038 -12.150 -0.353 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.222 -11.008 -0.197 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.101 -10.970 1.551 1.00 0.00 H new ATOM 0 HG LEU A 87 5.140 -13.471 1.575 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.865 -14.656 -0.453 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.280 -13.878 -0.673 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.738 -13.142 -1.380 1.00 0.00 H new ATOM 0 HD21 LEU A 87 7.543 -13.661 1.064 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.479 -12.106 0.202 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.175 -12.165 1.954 1.00 0.00 H new ATOM 1416 N GLN A 88 2.821 -11.833 2.936 1.00 0.00 N ATOM 1417 CA GLN A 88 2.430 -12.535 4.155 1.00 0.00 C ATOM 1418 C GLN A 88 0.918 -12.720 4.232 1.00 0.00 C ATOM 1419 O GLN A 88 0.429 -13.576 4.975 1.00 0.00 O ATOM 1420 CB GLN A 88 2.943 -11.793 5.395 1.00 0.00 C ATOM 1421 CG GLN A 88 2.325 -10.418 5.601 1.00 0.00 C ATOM 1422 CD GLN A 88 3.007 -9.630 6.703 1.00 0.00 C ATOM 1423 OE1 GLN A 88 3.059 -8.402 6.664 1.00 0.00 O ATOM 1424 NE2 GLN A 88 3.547 -10.326 7.692 1.00 0.00 N ATOM 0 H GLN A 88 3.140 -10.876 3.083 1.00 0.00 H new ATOM 0 HA GLN A 88 2.886 -13.524 4.127 1.00 0.00 H new ATOM 0 HB2 GLN A 88 2.746 -12.403 6.277 1.00 0.00 H new ATOM 0 HB3 GLN A 88 4.025 -11.685 5.318 1.00 0.00 H new ATOM 0 HG2 GLN A 88 2.381 -9.855 4.669 1.00 0.00 H new ATOM 0 HG3 GLN A 88 1.268 -10.531 5.842 1.00 0.00 H new ATOM 0 HE21 GLN A 88 3.485 -11.344 7.692 1.00 0.00 H new ATOM 0 HE22 GLN A 88 4.025 -9.844 8.453 1.00 0.00 H new ATOM 1433 N SER A 89 0.186 -11.928 3.457 1.00 0.00 N ATOM 1434 CA SER A 89 -1.265 -12.022 3.417 1.00 0.00 C ATOM 1435 C SER A 89 -1.694 -13.362 2.818 1.00 0.00 C ATOM 1436 O SER A 89 -2.622 -14.003 3.311 1.00 0.00 O ATOM 1437 CB SER A 89 -1.848 -10.862 2.600 1.00 0.00 C ATOM 1438 OG SER A 89 -3.267 -10.833 2.668 1.00 0.00 O ATOM 0 H SER A 89 0.578 -11.211 2.846 1.00 0.00 H new ATOM 0 HA SER A 89 -1.648 -11.959 4.436 1.00 0.00 H new ATOM 0 HB2 SER A 89 -1.447 -9.918 2.970 1.00 0.00 H new ATOM 0 HB3 SER A 89 -1.535 -10.956 1.560 1.00 0.00 H new ATOM 0 HG SER A 89 -3.605 -10.081 2.138 1.00 0.00 H new ATOM 1444 N TYR A 90 -0.996 -13.794 1.771 1.00 0.00 N ATOM 1445 CA TYR A 90 -1.345 -15.033 1.083 1.00 0.00 C ATOM 1446 C TYR A 90 -0.816 -16.253 1.829 1.00 0.00 C ATOM 1447 O TYR A 90 -1.557 -17.199 2.090 1.00 0.00 O ATOM 1448 CB TYR A 90 -0.801 -15.033 -0.350 1.00 0.00 C ATOM 1449 CG TYR A 90 -1.335 -13.910 -1.206 1.00 0.00 C ATOM 1450 CD1 TYR A 90 -2.702 -13.679 -1.309 1.00 0.00 C ATOM 1451 CD2 TYR A 90 -0.474 -13.080 -1.905 1.00 0.00 C ATOM 1452 CE1 TYR A 90 -3.192 -12.652 -2.089 1.00 0.00 C ATOM 1453 CE2 TYR A 90 -0.959 -12.051 -2.687 1.00 0.00 C ATOM 1454 CZ TYR A 90 -2.317 -11.841 -2.775 1.00 0.00 C ATOM 1455 OH TYR A 90 -2.801 -10.817 -3.554 1.00 0.00 O ATOM 0 H TYR A 90 -0.189 -13.307 1.382 1.00 0.00 H new ATOM 0 HA TYR A 90 -2.433 -15.089 1.053 1.00 0.00 H new ATOM 0 HB2 TYR A 90 0.286 -14.965 -0.316 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -1.046 -15.985 -0.822 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -3.391 -14.313 -0.770 1.00 0.00 H new ATOM 0 HD2 TYR A 90 0.592 -13.240 -1.837 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -4.257 -12.485 -2.161 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -0.276 -11.413 -3.228 1.00 0.00 H new ATOM 0 HH TYR A 90 -2.071 -10.201 -3.775 1.00 0.00 H new ATOM 1465 N VAL A 91 0.465 -16.219 2.181 1.00 0.00 N ATOM 1466 CA VAL A 91 1.120 -17.372 2.791 1.00 0.00 C ATOM 1467 C VAL A 91 0.691 -17.573 4.242 1.00 0.00 C ATOM 1468 O VAL A 91 0.808 -18.677 4.775 1.00 0.00 O ATOM 1469 CB VAL A 91 2.658 -17.252 2.727 1.00 0.00 C ATOM 1470 CG1 VAL A 91 3.114 -17.144 1.284 1.00 0.00 C ATOM 1471 CG2 VAL A 91 3.155 -16.058 3.531 1.00 0.00 C ATOM 0 H VAL A 91 1.070 -15.407 2.055 1.00 0.00 H new ATOM 0 HA VAL A 91 0.806 -18.240 2.212 1.00 0.00 H new ATOM 0 HB VAL A 91 3.085 -18.152 3.169 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.200 -17.060 1.251 1.00 0.00 H new ATOM 0 HG12 VAL A 91 2.802 -18.033 0.736 1.00 0.00 H new ATOM 0 HG13 VAL A 91 2.668 -16.261 0.826 1.00 0.00 H new ATOM 0 HG21 VAL A 91 4.242 -16.002 3.465 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.720 -15.143 3.130 1.00 0.00 H new ATOM 0 HG23 VAL A 91 2.860 -16.173 4.574 1.00 0.00 H new ATOM 1481 N HIS A 92 0.189 -16.507 4.866 1.00 0.00 N ATOM 1482 CA HIS A 92 -0.231 -16.546 6.268 1.00 0.00 C ATOM 1483 C HIS A 92 0.925 -17.002 7.151 1.00 0.00 C ATOM 1484 O HIS A 92 0.814 -17.976 7.901 1.00 0.00 O ATOM 1485 CB HIS A 92 -1.440 -17.469 6.458 1.00 0.00 C ATOM 1486 CG HIS A 92 -2.654 -17.042 5.690 1.00 0.00 C ATOM 1487 ND1 HIS A 92 -3.301 -17.858 4.792 1.00 0.00 N ATOM 1488 CD2 HIS A 92 -3.353 -15.885 5.710 1.00 0.00 C ATOM 1489 CE1 HIS A 92 -4.346 -17.225 4.293 1.00 0.00 C ATOM 1490 NE2 HIS A 92 -4.404 -16.025 4.834 1.00 0.00 N ATOM 0 H HIS A 92 0.063 -15.599 4.419 1.00 0.00 H new ATOM 0 HA HIS A 92 -0.526 -15.539 6.561 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -1.166 -18.479 6.153 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -1.689 -17.512 7.518 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -3.128 -15.012 6.304 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -5.037 -17.623 3.564 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -5.111 -15.317 4.636 1.00 0.00 H new ATOM 1499 N HIS A 93 2.034 -16.280 7.053 1.00 0.00 N ATOM 1500 CA HIS A 93 3.267 -16.642 7.751 1.00 0.00 C ATOM 1501 C HIS A 93 3.150 -16.340 9.246 1.00 0.00 C ATOM 1502 O HIS A 93 3.981 -16.768 10.045 1.00 0.00 O ATOM 1503 CB HIS A 93 4.446 -15.879 7.135 1.00 0.00 C ATOM 1504 CG HIS A 93 5.804 -16.336 7.590 1.00 0.00 C ATOM 1505 ND1 HIS A 93 6.486 -17.379 7.000 1.00 0.00 N ATOM 1506 CD2 HIS A 93 6.619 -15.860 8.563 1.00 0.00 C ATOM 1507 CE1 HIS A 93 7.660 -17.523 7.590 1.00 0.00 C ATOM 1508 NE2 HIS A 93 7.767 -16.612 8.543 1.00 0.00 N ATOM 0 H HIS A 93 2.107 -15.431 6.492 1.00 0.00 H new ATOM 0 HA HIS A 93 3.438 -17.713 7.639 1.00 0.00 H new ATOM 0 HB2 HIS A 93 4.392 -15.971 6.050 1.00 0.00 H new ATOM 0 HB3 HIS A 93 4.337 -14.820 7.371 1.00 0.00 H new ATOM 0 HD2 HIS A 93 6.404 -15.039 9.231 1.00 0.00 H new ATOM 0 HE1 HIS A 93 8.407 -18.261 7.336 1.00 0.00 H new ATOM 0 HE2 HIS A 93 8.569 -16.489 9.161 1.00 0.00 H new ATOM 1517 N ILE A 94 2.113 -15.604 9.612 1.00 0.00 N ATOM 1518 CA ILE A 94 1.868 -15.249 11.003 1.00 0.00 C ATOM 1519 C ILE A 94 0.412 -15.506 11.366 1.00 0.00 C ATOM 1520 O ILE A 94 -0.365 -15.983 10.537 1.00 0.00 O ATOM 1521 CB ILE A 94 2.214 -13.771 11.279 1.00 0.00 C ATOM 1522 CG1 ILE A 94 1.571 -12.872 10.221 1.00 0.00 C ATOM 1523 CG2 ILE A 94 3.721 -13.572 11.319 1.00 0.00 C ATOM 1524 CD1 ILE A 94 1.889 -11.406 10.392 1.00 0.00 C ATOM 0 H ILE A 94 1.421 -15.237 8.959 1.00 0.00 H new ATOM 0 HA ILE A 94 2.514 -15.874 11.619 1.00 0.00 H new ATOM 0 HB ILE A 94 1.814 -13.494 12.254 1.00 0.00 H new ATOM 0 HG12 ILE A 94 1.903 -13.194 9.234 1.00 0.00 H new ATOM 0 HG13 ILE A 94 0.490 -13.006 10.253 1.00 0.00 H new ATOM 0 HG21 ILE A 94 3.944 -12.523 11.515 1.00 0.00 H new ATOM 0 HG22 ILE A 94 4.148 -14.188 12.110 1.00 0.00 H new ATOM 0 HG23 ILE A 94 4.152 -13.862 10.361 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.398 -10.833 9.605 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.532 -11.067 11.364 1.00 0.00 H new ATOM 0 HD13 ILE A 94 2.967 -11.258 10.330 1.00 0.00 H new ATOM 1536 N HIS A 95 0.045 -15.192 12.601 1.00 0.00 N ATOM 1537 CA HIS A 95 -1.316 -15.420 13.065 1.00 0.00 C ATOM 1538 C HIS A 95 -2.260 -14.316 12.606 1.00 0.00 C ATOM 1539 O HIS A 95 -3.100 -14.548 11.733 1.00 0.00 O ATOM 1540 CB HIS A 95 -1.368 -15.567 14.589 1.00 0.00 C ATOM 1541 CG HIS A 95 -0.938 -16.918 15.073 1.00 0.00 C ATOM 1542 ND1 HIS A 95 -0.434 -17.148 16.335 1.00 0.00 N ATOM 1543 CD2 HIS A 95 -0.966 -18.125 14.459 1.00 0.00 C ATOM 1544 CE1 HIS A 95 -0.173 -18.435 16.474 1.00 0.00 C ATOM 1545 NE2 HIS A 95 -0.487 -19.049 15.351 1.00 0.00 N ATOM 0 H HIS A 95 0.668 -14.781 13.296 1.00 0.00 H new ATOM 0 HA HIS A 95 -1.651 -16.356 12.618 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -0.730 -14.808 15.041 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -2.385 -15.374 14.930 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -1.303 -18.323 13.452 1.00 0.00 H new ATOM 0 HE1 HIS A 95 0.230 -18.905 17.359 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -0.389 -20.049 15.174 1.00 0.00 H new ATOM 1554 N LYS A 96 -2.119 -13.116 13.165 1.00 0.00 N ATOM 1555 CA LYS A 96 -3.070 -12.047 12.872 1.00 0.00 C ATOM 1556 C LYS A 96 -2.532 -10.664 13.244 1.00 0.00 C ATOM 1557 O LYS A 96 -2.392 -9.798 12.380 1.00 0.00 O ATOM 1558 CB LYS A 96 -4.379 -12.303 13.625 1.00 0.00 C ATOM 1559 CG LYS A 96 -5.505 -11.353 13.247 1.00 0.00 C ATOM 1560 CD LYS A 96 -6.720 -11.544 14.143 1.00 0.00 C ATOM 1561 CE LYS A 96 -7.233 -12.976 14.108 1.00 0.00 C ATOM 1562 NZ LYS A 96 -8.396 -13.166 15.011 1.00 0.00 N ATOM 0 H LYS A 96 -1.371 -12.862 13.811 1.00 0.00 H new ATOM 0 HA LYS A 96 -3.241 -12.053 11.795 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -4.702 -13.327 13.435 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -4.192 -12.221 14.696 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -5.155 -10.324 13.322 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -5.788 -11.518 12.208 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -6.461 -11.276 15.167 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -7.514 -10.867 13.828 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -7.518 -13.235 13.088 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -6.432 -13.656 14.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -8.717 -14.154 14.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -8.117 -12.943 15.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -9.169 -12.535 14.719 1.00 0.00 H new ATOM 1576 N LYS A 97 -2.228 -10.472 14.529 1.00 0.00 N ATOM 1577 CA LYS A 97 -1.917 -9.145 15.074 1.00 0.00 C ATOM 1578 C LYS A 97 -0.822 -8.419 14.293 1.00 0.00 C ATOM 1579 O LYS A 97 -0.981 -7.244 13.952 1.00 0.00 O ATOM 1580 CB LYS A 97 -1.511 -9.238 16.550 1.00 0.00 C ATOM 1581 CG LYS A 97 -1.201 -7.880 17.166 1.00 0.00 C ATOM 1582 CD LYS A 97 -0.714 -7.998 18.599 1.00 0.00 C ATOM 1583 CE LYS A 97 -0.335 -6.638 19.159 1.00 0.00 C ATOM 1584 NZ LYS A 97 0.156 -6.733 20.558 1.00 0.00 N ATOM 0 H LYS A 97 -2.190 -11.223 15.218 1.00 0.00 H new ATOM 0 HA LYS A 97 -2.833 -8.562 14.979 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.315 -9.712 17.114 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.636 -9.881 16.641 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.443 -7.376 16.567 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -2.095 -7.258 17.138 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -1.493 -8.445 19.216 1.00 0.00 H new ATOM 0 HD3 LYS A 97 0.147 -8.665 18.640 1.00 0.00 H new ATOM 0 HE2 LYS A 97 0.437 -6.190 18.533 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -1.200 -5.976 19.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 0.404 -5.784 20.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -0.589 -7.137 21.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 0.997 -7.344 20.590 1.00 0.00 H new ATOM 1598 N ARG A 98 0.280 -9.108 14.006 1.00 0.00 N ATOM 1599 CA ARG A 98 1.415 -8.468 13.343 1.00 0.00 C ATOM 1600 C ARG A 98 1.013 -7.928 11.971 1.00 0.00 C ATOM 1601 O ARG A 98 1.407 -6.829 11.590 1.00 0.00 O ATOM 1602 CB ARG A 98 2.595 -9.432 13.201 1.00 0.00 C ATOM 1603 CG ARG A 98 3.080 -10.016 14.520 1.00 0.00 C ATOM 1604 CD ARG A 98 4.384 -10.787 14.348 1.00 0.00 C ATOM 1605 NE ARG A 98 5.540 -9.898 14.196 1.00 0.00 N ATOM 1606 CZ ARG A 98 6.436 -9.987 13.207 1.00 0.00 C ATOM 1607 NH1 ARG A 98 6.289 -10.894 12.244 1.00 0.00 N ATOM 1608 NH2 ARG A 98 7.483 -9.169 13.186 1.00 0.00 N ATOM 0 H ARG A 98 0.412 -10.097 14.219 1.00 0.00 H new ATOM 0 HA ARG A 98 1.728 -7.634 13.970 1.00 0.00 H new ATOM 0 HB2 ARG A 98 2.306 -10.248 12.539 1.00 0.00 H new ATOM 0 HB3 ARG A 98 3.422 -8.909 12.721 1.00 0.00 H new ATOM 0 HG2 ARG A 98 3.224 -9.213 15.243 1.00 0.00 H new ATOM 0 HG3 ARG A 98 2.316 -10.678 14.928 1.00 0.00 H new ATOM 0 HD2 ARG A 98 4.537 -11.434 15.211 1.00 0.00 H new ATOM 0 HD3 ARG A 98 4.308 -11.434 13.474 1.00 0.00 H new ATOM 0 HE ARG A 98 5.670 -9.163 14.891 1.00 0.00 H new ATOM 0 HH11 ARG A 98 5.489 -11.527 12.257 1.00 0.00 H new ATOM 0 HH12 ARG A 98 6.976 -10.956 11.493 1.00 0.00 H new ATOM 0 HH21 ARG A 98 7.602 -8.475 13.923 1.00 0.00 H new ATOM 0 HH22 ARG A 98 8.167 -9.236 12.432 1.00 0.00 H new ATOM 1622 N PHE A 99 0.205 -8.697 11.248 1.00 0.00 N ATOM 1623 CA PHE A 99 -0.261 -8.290 9.925 1.00 0.00 C ATOM 1624 C PHE A 99 -1.229 -7.122 10.044 1.00 0.00 C ATOM 1625 O PHE A 99 -1.146 -6.149 9.294 1.00 0.00 O ATOM 1626 CB PHE A 99 -0.942 -9.467 9.215 1.00 0.00 C ATOM 1627 CG PHE A 99 -1.522 -9.117 7.871 1.00 0.00 C ATOM 1628 CD1 PHE A 99 -0.726 -9.107 6.738 1.00 0.00 C ATOM 1629 CD2 PHE A 99 -2.865 -8.796 7.744 1.00 0.00 C ATOM 1630 CE1 PHE A 99 -1.258 -8.784 5.504 1.00 0.00 C ATOM 1631 CE2 PHE A 99 -3.401 -8.471 6.512 1.00 0.00 C ATOM 1632 CZ PHE A 99 -2.597 -8.467 5.392 1.00 0.00 C ATOM 0 H PHE A 99 -0.141 -9.606 11.555 1.00 0.00 H new ATOM 0 HA PHE A 99 0.600 -7.975 9.335 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -0.217 -10.271 9.088 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -1.737 -9.853 9.853 1.00 0.00 H new ATOM 0 HD1 PHE A 99 0.322 -9.354 6.820 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -3.500 -8.800 8.618 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -0.627 -8.780 4.628 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -4.448 -8.221 6.427 1.00 0.00 H new ATOM 0 HZ PHE A 99 -3.014 -8.216 4.428 1.00 0.00 H new ATOM 1642 N LYS A 100 -2.141 -7.236 10.997 1.00 0.00 N ATOM 1643 CA LYS A 100 -3.151 -6.216 11.238 1.00 0.00 C ATOM 1644 C LYS A 100 -2.493 -4.877 11.550 1.00 0.00 C ATOM 1645 O LYS A 100 -2.852 -3.849 10.975 1.00 0.00 O ATOM 1646 CB LYS A 100 -4.060 -6.680 12.389 1.00 0.00 C ATOM 1647 CG LYS A 100 -5.234 -5.763 12.716 1.00 0.00 C ATOM 1648 CD LYS A 100 -4.834 -4.640 13.661 1.00 0.00 C ATOM 1649 CE LYS A 100 -6.035 -4.066 14.395 1.00 0.00 C ATOM 1650 NZ LYS A 100 -7.008 -3.410 13.481 1.00 0.00 N ATOM 0 H LYS A 100 -2.202 -8.037 11.625 1.00 0.00 H new ATOM 0 HA LYS A 100 -3.758 -6.075 10.344 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -4.451 -7.667 12.143 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -3.451 -6.793 13.286 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -5.629 -5.337 11.794 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -6.036 -6.348 13.167 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -4.110 -5.014 14.385 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -4.340 -3.849 13.097 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -6.537 -4.865 14.941 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -5.692 -3.342 15.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -7.772 -2.978 14.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -6.524 -2.674 12.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -7.410 -4.119 12.835 1.00 0.00 H new ATOM 1664 N ASP A 101 -1.520 -4.907 12.451 1.00 0.00 N ATOM 1665 CA ASP A 101 -0.785 -3.707 12.833 1.00 0.00 C ATOM 1666 C ASP A 101 -0.105 -3.081 11.628 1.00 0.00 C ATOM 1667 O ASP A 101 -0.281 -1.892 11.355 1.00 0.00 O ATOM 1668 CB ASP A 101 0.258 -4.029 13.901 1.00 0.00 C ATOM 1669 CG ASP A 101 1.047 -2.805 14.328 1.00 0.00 C ATOM 1670 OD1 ASP A 101 0.557 -2.044 15.189 1.00 0.00 O ATOM 1671 OD2 ASP A 101 2.167 -2.601 13.812 1.00 0.00 O ATOM 0 H ASP A 101 -1.220 -5.754 12.934 1.00 0.00 H new ATOM 0 HA ASP A 101 -1.503 -2.995 13.241 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -0.238 -4.460 14.771 1.00 0.00 H new ATOM 0 HB3 ASP A 101 0.944 -4.785 13.519 1.00 0.00 H new ATOM 1676 N ILE A 102 0.659 -3.886 10.902 1.00 0.00 N ATOM 1677 CA ILE A 102 1.371 -3.405 9.726 1.00 0.00 C ATOM 1678 C ILE A 102 0.404 -2.810 8.707 1.00 0.00 C ATOM 1679 O ILE A 102 0.580 -1.671 8.273 1.00 0.00 O ATOM 1680 CB ILE A 102 2.191 -4.527 9.058 1.00 0.00 C ATOM 1681 CG1 ILE A 102 3.298 -5.011 9.999 1.00 0.00 C ATOM 1682 CG2 ILE A 102 2.779 -4.054 7.731 1.00 0.00 C ATOM 1683 CD1 ILE A 102 4.085 -6.180 9.455 1.00 0.00 C ATOM 0 H ILE A 102 0.802 -4.875 11.107 1.00 0.00 H new ATOM 0 HA ILE A 102 2.057 -2.630 10.067 1.00 0.00 H new ATOM 0 HB ILE A 102 1.523 -5.363 8.851 1.00 0.00 H new ATOM 0 HG12 ILE A 102 3.981 -4.185 10.198 1.00 0.00 H new ATOM 0 HG13 ILE A 102 2.854 -5.295 10.953 1.00 0.00 H new ATOM 0 HG21 ILE A 102 3.353 -4.863 7.279 1.00 0.00 H new ATOM 0 HG22 ILE A 102 1.972 -3.762 7.059 1.00 0.00 H new ATOM 0 HG23 ILE A 102 3.432 -3.199 7.907 1.00 0.00 H new ATOM 0 HD11 ILE A 102 4.851 -6.469 10.174 1.00 0.00 H new ATOM 0 HD12 ILE A 102 3.414 -7.021 9.282 1.00 0.00 H new ATOM 0 HD13 ILE A 102 4.558 -5.894 8.516 1.00 0.00 H new ATOM 1695 N THR A 103 -0.633 -3.565 8.361 1.00 0.00 N ATOM 1696 CA THR A 103 -1.580 -3.141 7.337 1.00 0.00 C ATOM 1697 C THR A 103 -2.269 -1.837 7.729 1.00 0.00 C ATOM 1698 O THR A 103 -2.430 -0.933 6.907 1.00 0.00 O ATOM 1699 CB THR A 103 -2.638 -4.231 7.076 1.00 0.00 C ATOM 1700 OG1 THR A 103 -1.988 -5.479 6.817 1.00 0.00 O ATOM 1701 CG2 THR A 103 -3.522 -3.865 5.892 1.00 0.00 C ATOM 0 H THR A 103 -0.839 -4.474 8.775 1.00 0.00 H new ATOM 0 HA THR A 103 -1.014 -2.974 6.421 1.00 0.00 H new ATOM 0 HB THR A 103 -3.267 -4.316 7.962 1.00 0.00 H new ATOM 0 HG1 THR A 103 -1.711 -5.886 7.665 1.00 0.00 H new ATOM 0 HG21 THR A 103 -4.259 -4.652 5.731 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.034 -2.925 6.097 1.00 0.00 H new ATOM 0 HG23 THR A 103 -2.907 -3.756 4.999 1.00 0.00 H new ATOM 1709 N GLU A 104 -2.648 -1.737 8.993 1.00 0.00 N ATOM 1710 CA GLU A 104 -3.317 -0.562 9.501 1.00 0.00 C ATOM 1711 C GLU A 104 -2.375 0.633 9.479 1.00 0.00 C ATOM 1712 O GLU A 104 -2.758 1.732 9.085 1.00 0.00 O ATOM 1713 CB GLU A 104 -3.798 -0.838 10.916 1.00 0.00 C ATOM 1714 CG GLU A 104 -4.784 0.185 11.421 1.00 0.00 C ATOM 1715 CD GLU A 104 -5.443 -0.234 12.713 1.00 0.00 C ATOM 1716 OE1 GLU A 104 -6.425 -1.002 12.657 1.00 0.00 O ATOM 1717 OE2 GLU A 104 -4.991 0.205 13.790 1.00 0.00 O ATOM 0 H GLU A 104 -2.499 -2.468 9.689 1.00 0.00 H new ATOM 0 HA GLU A 104 -4.174 -0.327 8.869 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -4.260 -1.825 10.949 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -2.938 -0.865 11.586 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -4.272 1.136 11.570 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -5.550 0.351 10.664 1.00 0.00 H new ATOM 1724 N SER A 105 -1.138 0.403 9.896 1.00 0.00 N ATOM 1725 CA SER A 105 -0.117 1.442 9.873 1.00 0.00 C ATOM 1726 C SER A 105 0.124 1.934 8.443 1.00 0.00 C ATOM 1727 O SER A 105 0.323 3.130 8.213 1.00 0.00 O ATOM 1728 CB SER A 105 1.186 0.917 10.477 1.00 0.00 C ATOM 1729 OG SER A 105 0.979 0.436 11.798 1.00 0.00 O ATOM 0 H SER A 105 -0.816 -0.496 10.255 1.00 0.00 H new ATOM 0 HA SER A 105 -0.470 2.282 10.471 1.00 0.00 H new ATOM 0 HB2 SER A 105 1.583 0.116 9.853 1.00 0.00 H new ATOM 0 HB3 SER A 105 1.932 1.712 10.489 1.00 0.00 H new ATOM 0 HG SER A 105 0.515 -0.427 11.763 1.00 0.00 H new ATOM 1735 N VAL A 106 0.101 1.009 7.488 1.00 0.00 N ATOM 1736 CA VAL A 106 0.250 1.364 6.081 1.00 0.00 C ATOM 1737 C VAL A 106 -0.947 2.180 5.597 1.00 0.00 C ATOM 1738 O VAL A 106 -0.779 3.255 5.023 1.00 0.00 O ATOM 1739 CB VAL A 106 0.421 0.112 5.188 1.00 0.00 C ATOM 1740 CG1 VAL A 106 0.456 0.491 3.715 1.00 0.00 C ATOM 1741 CG2 VAL A 106 1.685 -0.645 5.567 1.00 0.00 C ATOM 0 H VAL A 106 -0.019 0.011 7.662 1.00 0.00 H new ATOM 0 HA VAL A 106 1.154 1.968 5.999 1.00 0.00 H new ATOM 0 HB VAL A 106 -0.439 -0.537 5.352 1.00 0.00 H new ATOM 0 HG11 VAL A 106 0.577 -0.408 3.111 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.476 0.987 3.445 1.00 0.00 H new ATOM 0 HG13 VAL A 106 1.292 1.166 3.533 1.00 0.00 H new ATOM 0 HG21 VAL A 106 1.789 -1.522 4.929 1.00 0.00 H new ATOM 0 HG22 VAL A 106 2.551 0.004 5.436 1.00 0.00 H new ATOM 0 HG23 VAL A 106 1.622 -0.960 6.609 1.00 0.00 H new ATOM 1751 N LEU A 107 -2.152 1.672 5.846 1.00 0.00 N ATOM 1752 CA LEU A 107 -3.379 2.368 5.464 1.00 0.00 C ATOM 1753 C LEU A 107 -3.436 3.761 6.079 1.00 0.00 C ATOM 1754 O LEU A 107 -3.770 4.735 5.403 1.00 0.00 O ATOM 1755 CB LEU A 107 -4.608 1.565 5.895 1.00 0.00 C ATOM 1756 CG LEU A 107 -4.894 0.313 5.069 1.00 0.00 C ATOM 1757 CD1 LEU A 107 -6.053 -0.467 5.668 1.00 0.00 C ATOM 1758 CD2 LEU A 107 -5.198 0.695 3.630 1.00 0.00 C ATOM 0 H LEU A 107 -2.305 0.778 6.312 1.00 0.00 H new ATOM 0 HA LEU A 107 -3.378 2.468 4.379 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -4.482 1.271 6.937 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -5.481 2.216 5.850 1.00 0.00 H new ATOM 0 HG LEU A 107 -4.009 -0.324 5.083 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -6.243 -1.356 5.066 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -5.804 -0.765 6.687 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -6.945 0.159 5.681 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -5.400 -0.205 3.050 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -6.070 1.348 3.603 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -4.341 1.217 3.203 1.00 0.00 H new ATOM 1770 N TYR A 108 -3.102 3.841 7.362 1.00 0.00 N ATOM 1771 CA TYR A 108 -3.081 5.109 8.083 1.00 0.00 C ATOM 1772 C TYR A 108 -2.181 6.117 7.371 1.00 0.00 C ATOM 1773 O TYR A 108 -2.543 7.282 7.201 1.00 0.00 O ATOM 1774 CB TYR A 108 -2.584 4.873 9.515 1.00 0.00 C ATOM 1775 CG TYR A 108 -2.823 6.029 10.460 1.00 0.00 C ATOM 1776 CD1 TYR A 108 -4.000 6.113 11.192 1.00 0.00 C ATOM 1777 CD2 TYR A 108 -1.870 7.025 10.631 1.00 0.00 C ATOM 1778 CE1 TYR A 108 -4.224 7.159 12.065 1.00 0.00 C ATOM 1779 CE2 TYR A 108 -2.084 8.072 11.506 1.00 0.00 C ATOM 1780 CZ TYR A 108 -3.262 8.136 12.219 1.00 0.00 C ATOM 1781 OH TYR A 108 -3.479 9.175 13.095 1.00 0.00 O ATOM 0 H TYR A 108 -2.840 3.035 7.929 1.00 0.00 H new ATOM 0 HA TYR A 108 -4.091 5.517 8.113 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -3.075 3.986 9.915 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -1.515 4.660 9.485 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -4.753 5.347 11.077 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -0.948 6.980 10.071 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -5.147 7.212 12.624 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -1.332 8.837 11.631 1.00 0.00 H new ATOM 0 HH TYR A 108 -2.705 9.776 13.087 1.00 0.00 H new ATOM 1791 N THR A 109 -1.020 5.653 6.933 1.00 0.00 N ATOM 1792 CA THR A 109 -0.060 6.515 6.262 1.00 0.00 C ATOM 1793 C THR A 109 -0.512 6.841 4.835 1.00 0.00 C ATOM 1794 O THR A 109 -0.301 7.952 4.348 1.00 0.00 O ATOM 1795 CB THR A 109 1.336 5.862 6.232 1.00 0.00 C ATOM 1796 OG1 THR A 109 1.703 5.439 7.553 1.00 0.00 O ATOM 1797 CG2 THR A 109 2.385 6.832 5.705 1.00 0.00 C ATOM 0 H THR A 109 -0.720 4.683 7.031 1.00 0.00 H new ATOM 0 HA THR A 109 -0.003 7.445 6.828 1.00 0.00 H new ATOM 0 HB THR A 109 1.292 5.001 5.564 1.00 0.00 H new ATOM 0 HG1 THR A 109 1.273 4.581 7.753 1.00 0.00 H new ATOM 0 HG21 THR A 109 3.360 6.344 5.695 1.00 0.00 H new ATOM 0 HG22 THR A 109 2.122 7.137 4.692 1.00 0.00 H new ATOM 0 HG23 THR A 109 2.425 7.710 6.350 1.00 0.00 H new ATOM 1805 N LEU A 110 -1.151 5.880 4.175 1.00 0.00 N ATOM 1806 CA LEU A 110 -1.656 6.088 2.822 1.00 0.00 C ATOM 1807 C LEU A 110 -2.731 7.172 2.803 1.00 0.00 C ATOM 1808 O LEU A 110 -2.748 8.028 1.917 1.00 0.00 O ATOM 1809 CB LEU A 110 -2.214 4.784 2.244 1.00 0.00 C ATOM 1810 CG LEU A 110 -1.176 3.696 1.965 1.00 0.00 C ATOM 1811 CD1 LEU A 110 -1.849 2.443 1.429 1.00 0.00 C ATOM 1812 CD2 LEU A 110 -0.128 4.198 0.982 1.00 0.00 C ATOM 0 H LEU A 110 -1.331 4.951 4.555 1.00 0.00 H new ATOM 0 HA LEU A 110 -0.822 6.416 2.201 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -2.955 4.387 2.937 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -2.736 5.012 1.315 1.00 0.00 H new ATOM 0 HG LEU A 110 -0.679 3.447 2.902 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -1.095 1.679 1.236 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -2.563 2.071 2.164 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -2.372 2.679 0.502 1.00 0.00 H new ATOM 0 HD21 LEU A 110 0.602 3.411 0.795 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -0.611 4.475 0.045 1.00 0.00 H new ATOM 0 HD23 LEU A 110 0.376 5.069 1.401 1.00 0.00 H new ATOM 1824 N HIS A 111 -3.621 7.142 3.792 1.00 0.00 N ATOM 1825 CA HIS A 111 -4.660 8.162 3.904 1.00 0.00 C ATOM 1826 C HIS A 111 -4.044 9.512 4.250 1.00 0.00 C ATOM 1827 O HIS A 111 -4.563 10.557 3.862 1.00 0.00 O ATOM 1828 CB HIS A 111 -5.716 7.777 4.948 1.00 0.00 C ATOM 1829 CG HIS A 111 -6.673 6.718 4.483 1.00 0.00 C ATOM 1830 ND1 HIS A 111 -7.955 6.997 4.051 1.00 0.00 N ATOM 1831 CD2 HIS A 111 -6.538 5.374 4.390 1.00 0.00 C ATOM 1832 CE1 HIS A 111 -8.559 5.874 3.717 1.00 0.00 C ATOM 1833 NE2 HIS A 111 -7.723 4.872 3.914 1.00 0.00 N ATOM 0 H HIS A 111 -3.644 6.429 4.521 1.00 0.00 H new ATOM 0 HA HIS A 111 -5.157 8.236 2.937 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -5.212 7.427 5.849 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -6.281 8.667 5.225 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -5.658 4.802 4.644 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -9.569 5.788 3.344 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -7.924 3.887 3.741 1.00 0.00 H new ATOM 1842 N ALA A 112 -2.930 9.480 4.973 1.00 0.00 N ATOM 1843 CA ALA A 112 -2.203 10.696 5.319 1.00 0.00 C ATOM 1844 C ALA A 112 -1.699 11.391 4.061 1.00 0.00 C ATOM 1845 O ALA A 112 -1.921 12.587 3.871 1.00 0.00 O ATOM 1846 CB ALA A 112 -1.047 10.371 6.252 1.00 0.00 C ATOM 0 H ALA A 112 -2.510 8.623 5.332 1.00 0.00 H new ATOM 0 HA ALA A 112 -2.883 11.374 5.835 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -0.513 11.288 6.502 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -1.433 9.915 7.164 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -0.366 9.677 5.759 1.00 0.00 H new ATOM 1852 N VAL A 113 -1.059 10.621 3.187 1.00 0.00 N ATOM 1853 CA VAL A 113 -0.528 11.152 1.940 1.00 0.00 C ATOM 1854 C VAL A 113 -1.664 11.663 1.062 1.00 0.00 C ATOM 1855 O VAL A 113 -1.614 12.776 0.538 1.00 0.00 O ATOM 1856 CB VAL A 113 0.273 10.083 1.162 1.00 0.00 C ATOM 1857 CG1 VAL A 113 0.882 10.676 -0.099 1.00 0.00 C ATOM 1858 CG2 VAL A 113 1.355 9.472 2.037 1.00 0.00 C ATOM 0 H VAL A 113 -0.896 9.623 3.322 1.00 0.00 H new ATOM 0 HA VAL A 113 0.145 11.971 2.193 1.00 0.00 H new ATOM 0 HB VAL A 113 -0.419 9.292 0.871 1.00 0.00 H new ATOM 0 HG11 VAL A 113 1.441 9.906 -0.630 1.00 0.00 H new ATOM 0 HG12 VAL A 113 0.088 11.057 -0.742 1.00 0.00 H new ATOM 0 HG13 VAL A 113 1.554 11.491 0.170 1.00 0.00 H new ATOM 0 HG21 VAL A 113 1.904 8.723 1.467 1.00 0.00 H new ATOM 0 HG22 VAL A 113 2.041 10.253 2.366 1.00 0.00 H new ATOM 0 HG23 VAL A 113 0.897 9.002 2.907 1.00 0.00 H new ATOM 1868 N LYS A 114 -2.700 10.843 0.931 1.00 0.00 N ATOM 1869 CA LYS A 114 -3.859 11.182 0.120 1.00 0.00 C ATOM 1870 C LYS A 114 -4.492 12.495 0.571 1.00 0.00 C ATOM 1871 O LYS A 114 -4.785 13.368 -0.253 1.00 0.00 O ATOM 1872 CB LYS A 114 -4.897 10.062 0.191 1.00 0.00 C ATOM 1873 CG LYS A 114 -6.199 10.405 -0.513 1.00 0.00 C ATOM 1874 CD LYS A 114 -7.191 9.257 -0.471 1.00 0.00 C ATOM 1875 CE LYS A 114 -8.511 9.657 -1.110 1.00 0.00 C ATOM 1876 NZ LYS A 114 -9.438 8.509 -1.239 1.00 0.00 N ATOM 0 H LYS A 114 -2.759 9.930 1.382 1.00 0.00 H new ATOM 0 HA LYS A 114 -3.519 11.302 -0.909 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -4.478 9.159 -0.254 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -5.106 9.835 1.236 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -6.643 11.284 -0.045 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -5.992 10.666 -1.551 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -6.777 8.394 -0.992 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -7.360 8.954 0.562 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -8.982 10.437 -0.511 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -8.322 10.082 -2.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -10.168 8.730 -1.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -8.908 7.667 -1.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -9.890 8.323 -0.321 1.00 0.00 H new ATOM 1890 N ASP A 115 -4.689 12.633 1.878 1.00 0.00 N ATOM 1891 CA ASP A 115 -5.362 13.807 2.428 1.00 0.00 C ATOM 1892 C ASP A 115 -4.612 15.083 2.085 1.00 0.00 C ATOM 1893 O ASP A 115 -5.215 16.051 1.633 1.00 0.00 O ATOM 1894 CB ASP A 115 -5.518 13.702 3.948 1.00 0.00 C ATOM 1895 CG ASP A 115 -6.324 14.855 4.530 1.00 0.00 C ATOM 1896 OD1 ASP A 115 -7.567 14.744 4.591 1.00 0.00 O ATOM 1897 OD2 ASP A 115 -5.720 15.872 4.937 1.00 0.00 O ATOM 0 H ASP A 115 -4.394 11.950 2.575 1.00 0.00 H new ATOM 0 HA ASP A 115 -6.353 13.845 1.975 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -6.006 12.759 4.196 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -4.532 13.682 4.411 1.00 0.00 H new ATOM 1902 N GLU A 116 -3.298 15.077 2.276 1.00 0.00 N ATOM 1903 CA GLU A 116 -2.501 16.274 2.049 1.00 0.00 C ATOM 1904 C GLU A 116 -2.362 16.587 0.560 1.00 0.00 C ATOM 1905 O GLU A 116 -2.156 17.743 0.182 1.00 0.00 O ATOM 1906 CB GLU A 116 -1.134 16.173 2.735 1.00 0.00 C ATOM 1907 CG GLU A 116 -0.266 15.010 2.298 1.00 0.00 C ATOM 1908 CD GLU A 116 1.044 14.970 3.065 1.00 0.00 C ATOM 1909 OE1 GLU A 116 1.933 15.791 2.761 1.00 0.00 O ATOM 1910 OE2 GLU A 116 1.175 14.149 3.997 1.00 0.00 O ATOM 0 H GLU A 116 -2.766 14.263 2.585 1.00 0.00 H new ATOM 0 HA GLU A 116 -3.034 17.110 2.503 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -0.588 17.099 2.554 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -1.292 16.101 3.811 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -0.806 14.075 2.450 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -0.061 15.090 1.230 1.00 0.00 H new ATOM 1917 N ILE A 117 -2.466 15.566 -0.282 1.00 0.00 N ATOM 1918 CA ILE A 117 -2.501 15.778 -1.727 1.00 0.00 C ATOM 1919 C ILE A 117 -3.788 16.498 -2.126 1.00 0.00 C ATOM 1920 O ILE A 117 -3.754 17.539 -2.782 1.00 0.00 O ATOM 1921 CB ILE A 117 -2.395 14.451 -2.518 1.00 0.00 C ATOM 1922 CG1 ILE A 117 -1.040 13.789 -2.273 1.00 0.00 C ATOM 1923 CG2 ILE A 117 -2.604 14.688 -4.009 1.00 0.00 C ATOM 1924 CD1 ILE A 117 -0.897 12.424 -2.927 1.00 0.00 C ATOM 0 H ILE A 117 -2.527 14.589 0.006 1.00 0.00 H new ATOM 0 HA ILE A 117 -1.635 16.391 -1.978 1.00 0.00 H new ATOM 0 HB ILE A 117 -3.180 13.783 -2.164 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -0.253 14.445 -2.646 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -0.886 13.685 -1.199 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -2.525 13.741 -4.543 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -3.593 15.116 -4.174 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -1.844 15.377 -4.378 1.00 0.00 H new ATOM 0 HD11 ILE A 117 0.091 12.018 -2.709 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -1.661 11.752 -2.536 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -1.018 12.523 -4.006 1.00 0.00 H new ATOM 1936 N ALA A 118 -4.924 15.946 -1.704 1.00 0.00 N ATOM 1937 CA ALA A 118 -6.223 16.538 -2.006 1.00 0.00 C ATOM 1938 C ALA A 118 -6.377 17.886 -1.306 1.00 0.00 C ATOM 1939 O ALA A 118 -7.041 18.795 -1.806 1.00 0.00 O ATOM 1940 CB ALA A 118 -7.337 15.588 -1.594 1.00 0.00 C ATOM 0 H ALA A 118 -4.970 15.090 -1.152 1.00 0.00 H new ATOM 0 HA ALA A 118 -6.288 16.707 -3.081 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -8.303 16.038 -1.823 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -7.236 14.650 -2.140 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -7.272 15.394 -0.523 1.00 0.00 H new ATOM 1946 N ARG A 119 -5.747 18.002 -0.147 1.00 0.00 N ATOM 1947 CA ARG A 119 -5.746 19.241 0.619 1.00 0.00 C ATOM 1948 C ARG A 119 -5.054 20.347 -0.166 1.00 0.00 C ATOM 1949 O ARG A 119 -5.434 21.517 -0.082 1.00 0.00 O ATOM 1950 CB ARG A 119 -5.040 19.009 1.955 1.00 0.00 C ATOM 1951 CG ARG A 119 -5.087 20.186 2.908 1.00 0.00 C ATOM 1952 CD ARG A 119 -4.701 19.753 4.312 1.00 0.00 C ATOM 1953 NE ARG A 119 -5.562 18.671 4.792 1.00 0.00 N ATOM 1954 CZ ARG A 119 -6.688 18.862 5.478 1.00 0.00 C ATOM 1955 NH1 ARG A 119 -7.052 20.082 5.846 1.00 0.00 N ATOM 1956 NH2 ARG A 119 -7.434 17.821 5.820 1.00 0.00 N ATOM 0 H ARG A 119 -5.223 17.243 0.289 1.00 0.00 H new ATOM 0 HA ARG A 119 -6.774 19.551 0.807 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -5.491 18.145 2.443 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -3.997 18.757 1.761 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -4.409 20.967 2.563 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -6.089 20.614 2.916 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -3.662 19.424 4.320 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -4.772 20.604 4.989 1.00 0.00 H new ATOM 0 HE ARG A 119 -5.283 17.711 4.589 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -6.469 20.883 5.604 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -7.916 20.220 6.371 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -7.145 16.879 5.558 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -8.297 17.962 6.345 1.00 0.00 H new ATOM 1970 N GLU A 120 -4.048 19.960 -0.935 1.00 0.00 N ATOM 1971 CA GLU A 120 -3.313 20.896 -1.761 1.00 0.00 C ATOM 1972 C GLU A 120 -4.163 21.335 -2.952 1.00 0.00 C ATOM 1973 O GLU A 120 -4.379 22.530 -3.167 1.00 0.00 O ATOM 1974 CB GLU A 120 -2.019 20.256 -2.246 1.00 0.00 C ATOM 1975 CG GLU A 120 -0.872 21.235 -2.364 1.00 0.00 C ATOM 1976 CD GLU A 120 -0.408 21.725 -1.007 1.00 0.00 C ATOM 1977 OE1 GLU A 120 0.360 20.998 -0.342 1.00 0.00 O ATOM 1978 OE2 GLU A 120 -0.788 22.845 -0.607 1.00 0.00 O ATOM 0 H GLU A 120 -3.723 18.996 -1.002 1.00 0.00 H new ATOM 0 HA GLU A 120 -3.071 21.776 -1.165 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -1.737 19.458 -1.559 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -2.193 19.793 -3.217 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -0.040 20.759 -2.883 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -1.181 22.086 -2.971 1.00 0.00 H new