USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 812 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 59 HIS : no HD1:sc= 0 K(o=0,f=-0.84) USER MOD Set 1.2: A 83 LYS NZ :NH3+ -145:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= 0.609 K(o=0.61,f=-0.18) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.28 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 170:sc= -0.525 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -153:sc= -0.388 (180deg=-1.47!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 143:sc= 1.01 (180deg=0.3) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl -134:sc= -1.29 (180deg=-4.15!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= 1.22 K(o=1.2,f=-0.041) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.178 USER MOD Single : A 69 HIS : no HD1:sc= 0.0262 K(o=0.026,f=-1.2!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 30:sc= -0.813 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.0379 USER MOD Single : A 77 MET CE :methyl -163:sc= -7.66! (180deg=-9.32!) USER MOD Single : A 78 GLN : amide:sc= -0.0336 X(o=-0.034,f=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -0.189 K(o=-0.19,f=-1) USER MOD Single : A 89 ASN : amide:sc= -0.035 X(o=-0.035,f=0) USER MOD Single : A 90 TYR OH : rot 4:sc= 1.16 USER MOD Single : A 92 CYS SG : rot 80:sc= -3.53! USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 30:sc= 0 USER MOD Single : A 102 SER OG : rot 35:sc= 0.307 USER MOD Single : A 103 CYS SG : rot -130:sc= -0.771 USER MOD Single : A 104 SER OG : rot 28:sc= 0.12 USER MOD Single : A 110 HIS : no HD1:sc= -1.34 K(o=-1.3,f=-1.9!) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 124 N ILE A 11 10.865 4.852 -0.083 1.00 0.00 N ATOM 125 CA ILE A 11 11.075 6.038 -0.903 1.00 0.00 C ATOM 126 C ILE A 11 9.751 6.595 -1.414 1.00 0.00 C ATOM 127 O ILE A 11 9.459 7.779 -1.248 1.00 0.00 O ATOM 128 CB ILE A 11 11.990 5.737 -2.105 1.00 0.00 C ATOM 129 CG1 ILE A 11 13.448 6.045 -1.754 1.00 0.00 C ATOM 130 CG2 ILE A 11 11.552 6.541 -3.320 1.00 0.00 C ATOM 131 CD1 ILE A 11 14.155 4.904 -1.057 1.00 0.00 C ATOM 0 HA ILE A 11 11.557 6.780 -0.266 1.00 0.00 H new ATOM 0 HB ILE A 11 11.909 4.677 -2.347 1.00 0.00 H new ATOM 0 HG12 ILE A 11 13.989 6.293 -2.667 1.00 0.00 H new ATOM 0 HG13 ILE A 11 13.481 6.927 -1.115 1.00 0.00 H new ATOM 0 HG21 ILE A 11 12.209 6.317 -4.161 1.00 0.00 H new ATOM 0 HG22 ILE A 11 10.527 6.278 -3.580 1.00 0.00 H new ATOM 0 HG23 ILE A 11 11.606 7.605 -3.091 1.00 0.00 H new ATOM 0 HD11 ILE A 11 15.183 5.192 -0.839 1.00 0.00 H new ATOM 0 HD12 ILE A 11 13.638 4.670 -0.126 1.00 0.00 H new ATOM 0 HD13 ILE A 11 14.154 4.026 -1.703 1.00 0.00 H new ATOM 143 N GLU A 12 8.952 5.732 -2.035 1.00 0.00 N ATOM 144 CA GLU A 12 7.658 6.139 -2.570 1.00 0.00 C ATOM 145 C GLU A 12 6.546 5.876 -1.559 1.00 0.00 C ATOM 146 O GLU A 12 6.608 4.922 -0.783 1.00 0.00 O ATOM 147 CB GLU A 12 7.363 5.394 -3.874 1.00 0.00 C ATOM 148 CG GLU A 12 6.450 6.158 -4.818 1.00 0.00 C ATOM 149 CD GLU A 12 4.981 5.937 -4.515 1.00 0.00 C ATOM 150 OE1 GLU A 12 4.659 4.940 -3.836 1.00 0.00 O ATOM 151 OE2 GLU A 12 4.153 6.761 -4.957 1.00 0.00 O ATOM 0 H GLU A 12 9.178 4.748 -2.180 1.00 0.00 H new ATOM 0 HA GLU A 12 7.697 7.209 -2.773 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.304 5.183 -4.383 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.906 4.433 -3.638 1.00 0.00 H new ATOM 0 HG2 GLU A 12 6.675 7.223 -4.752 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.656 5.852 -5.844 1.00 0.00 H new ATOM 158 N LYS A 13 5.528 6.731 -1.572 1.00 0.00 N ATOM 159 CA LYS A 13 4.400 6.593 -0.659 1.00 0.00 C ATOM 160 C LYS A 13 3.077 6.754 -1.400 1.00 0.00 C ATOM 161 O LYS A 13 2.802 7.785 -2.013 1.00 0.00 O ATOM 162 CB LYS A 13 4.497 7.629 0.464 1.00 0.00 C ATOM 163 CG LYS A 13 5.773 7.522 1.281 1.00 0.00 C ATOM 164 CD LYS A 13 5.579 6.643 2.506 1.00 0.00 C ATOM 165 CE LYS A 13 4.854 7.388 3.617 1.00 0.00 C ATOM 166 NZ LYS A 13 5.799 8.140 4.488 1.00 0.00 N ATOM 0 H LYS A 13 5.462 7.527 -2.206 1.00 0.00 H new ATOM 0 HA LYS A 13 4.435 5.593 -0.227 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.435 8.628 0.032 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.640 7.515 1.128 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.570 7.112 0.661 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.091 8.517 1.593 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.011 5.754 2.231 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.549 6.302 2.868 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.133 8.080 3.181 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.289 6.679 4.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.267 8.634 5.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.471 7.477 4.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.320 8.835 3.916 1.00 0.00 H new ATOM 180 N PRO A 14 2.235 5.711 -1.342 1.00 0.00 N ATOM 181 CA PRO A 14 0.926 5.713 -2.001 1.00 0.00 C ATOM 182 C PRO A 14 -0.057 6.668 -1.333 1.00 0.00 C ATOM 183 O PRO A 14 -0.479 6.445 -0.199 1.00 0.00 O ATOM 184 CB PRO A 14 0.451 4.266 -1.851 1.00 0.00 C ATOM 185 CG PRO A 14 1.163 3.756 -0.646 1.00 0.00 C ATOM 186 CD PRO A 14 2.497 4.449 -0.630 1.00 0.00 C ATOM 0 HA PRO A 14 0.991 6.049 -3.036 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -0.630 4.216 -1.723 1.00 0.00 H new ATOM 0 HB3 PRO A 14 0.695 3.676 -2.734 1.00 0.00 H new ATOM 0 HG2 PRO A 14 0.599 3.973 0.261 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.286 2.674 -0.694 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.845 4.627 0.387 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.263 3.857 -1.130 1.00 0.00 H new ATOM 194 N GLN A 15 -0.418 7.732 -2.044 1.00 0.00 N ATOM 195 CA GLN A 15 -1.352 8.721 -1.519 1.00 0.00 C ATOM 196 C GLN A 15 -2.794 8.307 -1.792 1.00 0.00 C ATOM 197 O GLN A 15 -3.655 9.149 -2.041 1.00 0.00 O ATOM 198 CB GLN A 15 -1.076 10.092 -2.138 1.00 0.00 C ATOM 199 CG GLN A 15 0.322 10.618 -1.855 1.00 0.00 C ATOM 200 CD GLN A 15 0.709 10.491 -0.395 1.00 0.00 C ATOM 201 OE1 GLN A 15 0.280 11.284 0.444 1.00 0.00 O ATOM 202 NE2 GLN A 15 1.524 9.490 -0.083 1.00 0.00 N ATOM 0 H GLN A 15 -0.078 7.931 -2.985 1.00 0.00 H new ATOM 0 HA GLN A 15 -1.210 8.782 -0.440 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -1.220 10.030 -3.217 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -1.807 10.806 -1.759 1.00 0.00 H new ATOM 0 HG2 GLN A 15 1.042 10.073 -2.466 1.00 0.00 H new ATOM 0 HG3 GLN A 15 0.379 11.665 -2.152 1.00 0.00 H new ATOM 0 HE21 GLN A 15 1.855 8.856 -0.810 1.00 0.00 H new ATOM 0 HE22 GLN A 15 1.819 9.355 0.884 1.00 0.00 H new ATOM 211 N GLY A 16 -3.050 7.003 -1.743 1.00 0.00 N ATOM 212 CA GLY A 16 -4.389 6.500 -1.987 1.00 0.00 C ATOM 213 C GLY A 16 -5.131 7.311 -3.031 1.00 0.00 C ATOM 214 O GLY A 16 -4.517 7.921 -3.905 1.00 0.00 O ATOM 0 H GLY A 16 -2.354 6.286 -1.539 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.330 5.461 -2.312 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -4.953 6.510 -1.055 1.00 0.00 H new ATOM 218 N GLY A 17 -6.458 7.316 -2.941 1.00 0.00 N ATOM 219 CA GLY A 17 -7.263 8.060 -3.892 1.00 0.00 C ATOM 220 C GLY A 17 -8.744 7.770 -3.749 1.00 0.00 C ATOM 221 O GLY A 17 -9.207 7.370 -2.680 1.00 0.00 O ATOM 0 H GLY A 17 -6.989 6.818 -2.227 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -7.090 9.127 -3.754 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.944 7.814 -4.905 1.00 0.00 H new ATOM 225 N THR A 18 -9.492 7.973 -4.830 1.00 0.00 N ATOM 226 CA THR A 18 -10.929 7.734 -4.820 1.00 0.00 C ATOM 227 C THR A 18 -11.380 7.039 -6.100 1.00 0.00 C ATOM 228 O THR A 18 -11.299 7.608 -7.189 1.00 0.00 O ATOM 229 CB THR A 18 -11.716 9.048 -4.658 1.00 0.00 C ATOM 230 OG1 THR A 18 -11.119 9.855 -3.637 1.00 0.00 O ATOM 231 CG2 THR A 18 -13.169 8.769 -4.305 1.00 0.00 C ATOM 0 H THR A 18 -9.125 8.302 -5.723 1.00 0.00 H new ATOM 0 HA THR A 18 -11.136 7.088 -3.967 1.00 0.00 H new ATOM 0 HB THR A 18 -11.685 9.583 -5.607 1.00 0.00 H new ATOM 0 HG1 THR A 18 -11.625 10.689 -3.542 1.00 0.00 H new ATOM 0 HG21 THR A 18 -13.704 9.712 -4.196 1.00 0.00 H new ATOM 0 HG22 THR A 18 -13.630 8.180 -5.098 1.00 0.00 H new ATOM 0 HG23 THR A 18 -13.216 8.215 -3.368 1.00 0.00 H new ATOM 239 N VAL A 19 -11.856 5.806 -5.962 1.00 0.00 N ATOM 240 CA VAL A 19 -12.321 5.034 -7.108 1.00 0.00 C ATOM 241 C VAL A 19 -13.832 4.836 -7.060 1.00 0.00 C ATOM 242 O VAL A 19 -14.410 4.640 -5.991 1.00 0.00 O ATOM 243 CB VAL A 19 -11.636 3.656 -7.172 1.00 0.00 C ATOM 244 CG1 VAL A 19 -12.061 2.792 -5.994 1.00 0.00 C ATOM 245 CG2 VAL A 19 -11.950 2.966 -8.491 1.00 0.00 C ATOM 0 H VAL A 19 -11.930 5.320 -5.068 1.00 0.00 H new ATOM 0 HA VAL A 19 -12.060 5.603 -8.000 1.00 0.00 H new ATOM 0 HB VAL A 19 -10.558 3.803 -7.113 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -11.567 1.823 -6.057 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -11.780 3.283 -5.062 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -13.142 2.650 -6.018 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.458 1.994 -8.519 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -13.028 2.830 -8.583 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -11.590 3.579 -9.317 1.00 0.00 H new ATOM 255 N LYS A 20 -14.467 4.887 -8.226 1.00 0.00 N ATOM 256 CA LYS A 20 -15.912 4.712 -8.319 1.00 0.00 C ATOM 257 C LYS A 20 -16.295 3.248 -8.130 1.00 0.00 C ATOM 258 O LYS A 20 -15.497 2.348 -8.391 1.00 0.00 O ATOM 259 CB LYS A 20 -16.421 5.213 -9.672 1.00 0.00 C ATOM 260 CG LYS A 20 -17.922 5.441 -9.711 1.00 0.00 C ATOM 261 CD LYS A 20 -18.329 6.622 -8.847 1.00 0.00 C ATOM 262 CE LYS A 20 -17.922 7.943 -9.482 1.00 0.00 C ATOM 263 NZ LYS A 20 -18.983 8.478 -10.380 1.00 0.00 N ATOM 0 H LYS A 20 -14.004 5.048 -9.120 1.00 0.00 H new ATOM 0 HA LYS A 20 -16.376 5.296 -7.525 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -15.914 6.146 -9.919 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -16.152 4.490 -10.442 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -18.238 5.616 -10.740 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -18.436 4.543 -9.368 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -19.408 6.608 -8.694 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -17.867 6.532 -7.864 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -17.708 8.671 -8.700 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -17.002 7.805 -10.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -18.667 9.379 -10.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -19.170 7.795 -11.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -19.854 8.634 -9.834 1.00 0.00 H new ATOM 277 N VAL A 21 -17.523 3.016 -7.675 1.00 0.00 N ATOM 278 CA VAL A 21 -18.013 1.661 -7.454 1.00 0.00 C ATOM 279 C VAL A 21 -18.036 0.866 -8.754 1.00 0.00 C ATOM 280 O VAL A 21 -18.752 1.211 -9.693 1.00 0.00 O ATOM 281 CB VAL A 21 -19.428 1.668 -6.845 1.00 0.00 C ATOM 282 CG1 VAL A 21 -20.029 0.271 -6.872 1.00 0.00 C ATOM 283 CG2 VAL A 21 -19.394 2.215 -5.426 1.00 0.00 C ATOM 0 H VAL A 21 -18.196 3.749 -7.452 1.00 0.00 H new ATOM 0 HA VAL A 21 -17.326 1.187 -6.753 1.00 0.00 H new ATOM 0 HB VAL A 21 -20.060 2.321 -7.447 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -21.028 0.296 -6.438 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -20.090 -0.079 -7.902 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -19.400 -0.407 -6.295 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -20.402 2.213 -5.011 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -18.747 1.590 -4.811 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -19.009 3.235 -5.438 1.00 0.00 H new ATOM 293 N GLY A 22 -17.246 -0.203 -8.802 1.00 0.00 N ATOM 294 CA GLY A 22 -17.190 -1.032 -9.992 1.00 0.00 C ATOM 295 C GLY A 22 -15.999 -0.705 -10.871 1.00 0.00 C ATOM 296 O GLY A 22 -15.691 -1.441 -11.807 1.00 0.00 O ATOM 0 H GLY A 22 -16.644 -0.509 -8.038 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -17.144 -2.081 -9.699 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -18.108 -0.901 -10.566 1.00 0.00 H new ATOM 300 N GLU A 23 -15.329 0.403 -10.569 1.00 0.00 N ATOM 301 CA GLU A 23 -14.166 0.826 -11.341 1.00 0.00 C ATOM 302 C GLU A 23 -12.926 0.034 -10.935 1.00 0.00 C ATOM 303 O GLU A 23 -13.000 -0.874 -10.108 1.00 0.00 O ATOM 304 CB GLU A 23 -13.915 2.323 -11.149 1.00 0.00 C ATOM 305 CG GLU A 23 -14.670 3.198 -12.135 1.00 0.00 C ATOM 306 CD GLU A 23 -14.233 4.649 -12.079 1.00 0.00 C ATOM 307 OE1 GLU A 23 -13.026 4.899 -11.882 1.00 0.00 O ATOM 308 OE2 GLU A 23 -15.100 5.535 -12.234 1.00 0.00 O ATOM 0 H GLU A 23 -15.571 1.023 -9.796 1.00 0.00 H new ATOM 0 HA GLU A 23 -14.371 0.632 -12.394 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -14.200 2.603 -10.135 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -12.847 2.519 -11.246 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -14.519 2.815 -13.144 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -15.738 3.136 -11.927 1.00 0.00 H new ATOM 315 N ASP A 24 -11.788 0.386 -11.524 1.00 0.00 N ATOM 316 CA ASP A 24 -10.532 -0.290 -11.224 1.00 0.00 C ATOM 317 C ASP A 24 -9.426 0.721 -10.938 1.00 0.00 C ATOM 318 O ASP A 24 -9.118 1.572 -11.773 1.00 0.00 O ATOM 319 CB ASP A 24 -10.124 -1.195 -12.388 1.00 0.00 C ATOM 320 CG ASP A 24 -9.690 -0.408 -13.609 1.00 0.00 C ATOM 321 OD1 ASP A 24 -10.194 0.719 -13.797 1.00 0.00 O ATOM 322 OD2 ASP A 24 -8.848 -0.919 -14.376 1.00 0.00 O ATOM 0 H ASP A 24 -11.710 1.135 -12.212 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.681 -0.901 -10.334 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.309 -1.846 -12.070 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.962 -1.840 -12.654 1.00 0.00 H new ATOM 327 N ILE A 25 -8.833 0.622 -9.753 1.00 0.00 N ATOM 328 CA ILE A 25 -7.761 1.528 -9.358 1.00 0.00 C ATOM 329 C ILE A 25 -6.512 0.756 -8.948 1.00 0.00 C ATOM 330 O ILE A 25 -6.594 -0.386 -8.492 1.00 0.00 O ATOM 331 CB ILE A 25 -8.194 2.437 -8.192 1.00 0.00 C ATOM 332 CG1 ILE A 25 -7.030 3.326 -7.751 1.00 0.00 C ATOM 333 CG2 ILE A 25 -8.700 1.600 -7.027 1.00 0.00 C ATOM 334 CD1 ILE A 25 -7.456 4.502 -6.900 1.00 0.00 C ATOM 0 H ILE A 25 -9.076 -0.076 -9.050 1.00 0.00 H new ATOM 0 HA ILE A 25 -7.534 2.147 -10.226 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.007 3.078 -8.533 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.315 2.723 -7.191 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -6.511 3.697 -8.635 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -9.002 2.257 -6.211 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -9.555 1.006 -7.350 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -7.906 0.937 -6.684 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -6.579 5.088 -6.624 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.148 5.128 -7.464 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -7.948 4.139 -5.998 1.00 0.00 H new ATOM 346 N THR A 26 -5.353 1.386 -9.111 1.00 0.00 N ATOM 347 CA THR A 26 -4.085 0.759 -8.758 1.00 0.00 C ATOM 348 C THR A 26 -3.184 1.729 -8.003 1.00 0.00 C ATOM 349 O THR A 26 -3.011 2.878 -8.411 1.00 0.00 O ATOM 350 CB THR A 26 -3.341 0.253 -10.008 1.00 0.00 C ATOM 351 OG1 THR A 26 -4.245 -0.460 -10.861 1.00 0.00 O ATOM 352 CG2 THR A 26 -2.183 -0.653 -9.619 1.00 0.00 C ATOM 0 H THR A 26 -5.266 2.331 -9.486 1.00 0.00 H new ATOM 0 HA THR A 26 -4.320 -0.090 -8.116 1.00 0.00 H new ATOM 0 HB THR A 26 -2.943 1.116 -10.541 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.811 -0.638 -11.721 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.673 -0.998 -10.518 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.482 -0.100 -8.994 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.563 -1.512 -9.066 1.00 0.00 H new ATOM 360 N PHE A 27 -2.611 1.260 -6.899 1.00 0.00 N ATOM 361 CA PHE A 27 -1.727 2.086 -6.086 1.00 0.00 C ATOM 362 C PHE A 27 -0.264 1.773 -6.383 1.00 0.00 C ATOM 363 O PHE A 27 0.074 0.660 -6.787 1.00 0.00 O ATOM 364 CB PHE A 27 -2.015 1.868 -4.599 1.00 0.00 C ATOM 365 CG PHE A 27 -3.472 1.975 -4.249 1.00 0.00 C ATOM 366 CD1 PHE A 27 -4.324 0.900 -4.439 1.00 0.00 C ATOM 367 CD2 PHE A 27 -3.988 3.151 -3.729 1.00 0.00 C ATOM 368 CE1 PHE A 27 -5.665 0.995 -4.117 1.00 0.00 C ATOM 369 CE2 PHE A 27 -5.328 3.252 -3.405 1.00 0.00 C ATOM 370 CZ PHE A 27 -6.168 2.173 -3.600 1.00 0.00 C ATOM 0 H PHE A 27 -2.743 0.312 -6.547 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.915 3.130 -6.336 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.651 0.883 -4.307 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.455 2.600 -4.017 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -3.936 -0.023 -4.843 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.336 3.998 -3.575 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.319 0.149 -4.270 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -5.718 4.174 -3.000 1.00 0.00 H new ATOM 0 HZ PHE A 27 -7.216 2.250 -3.349 1.00 0.00 H new ATOM 380 N ILE A 28 0.600 2.763 -6.181 1.00 0.00 N ATOM 381 CA ILE A 28 2.027 2.593 -6.427 1.00 0.00 C ATOM 382 C ILE A 28 2.812 2.584 -5.120 1.00 0.00 C ATOM 383 O ILE A 28 2.576 3.407 -4.236 1.00 0.00 O ATOM 384 CB ILE A 28 2.578 3.708 -7.336 1.00 0.00 C ATOM 385 CG1 ILE A 28 1.947 3.620 -8.727 1.00 0.00 C ATOM 386 CG2 ILE A 28 4.093 3.614 -7.429 1.00 0.00 C ATOM 387 CD1 ILE A 28 2.255 2.328 -9.450 1.00 0.00 C ATOM 0 H ILE A 28 0.337 3.690 -5.848 1.00 0.00 H new ATOM 0 HA ILE A 28 2.149 1.633 -6.928 1.00 0.00 H new ATOM 0 HB ILE A 28 2.319 4.673 -6.901 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.866 3.726 -8.634 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.299 4.457 -9.330 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.468 4.408 -8.075 1.00 0.00 H new ATOM 0 HG22 ILE A 28 4.526 3.720 -6.434 1.00 0.00 H new ATOM 0 HG23 ILE A 28 4.373 2.646 -7.845 1.00 0.00 H new ATOM 0 HD11 ILE A 28 1.775 2.336 -10.429 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.333 2.229 -9.575 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.879 1.487 -8.868 1.00 0.00 H new ATOM 399 N ALA A 29 3.748 1.647 -5.005 1.00 0.00 N ATOM 400 CA ALA A 29 4.572 1.533 -3.808 1.00 0.00 C ATOM 401 C ALA A 29 5.909 0.871 -4.123 1.00 0.00 C ATOM 402 O ALA A 29 5.964 -0.312 -4.460 1.00 0.00 O ATOM 403 CB ALA A 29 3.834 0.750 -2.733 1.00 0.00 C ATOM 0 H ALA A 29 3.954 0.956 -5.726 1.00 0.00 H new ATOM 0 HA ALA A 29 4.773 2.538 -3.437 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.461 0.672 -1.845 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.907 1.265 -2.479 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.604 -0.249 -3.104 1.00 0.00 H new ATOM 409 N LYS A 30 6.986 1.641 -4.012 1.00 0.00 N ATOM 410 CA LYS A 30 8.324 1.130 -4.284 1.00 0.00 C ATOM 411 C LYS A 30 9.161 1.090 -3.009 1.00 0.00 C ATOM 412 O LYS A 30 8.856 1.775 -2.033 1.00 0.00 O ATOM 413 CB LYS A 30 9.019 1.997 -5.336 1.00 0.00 C ATOM 414 CG LYS A 30 8.599 1.678 -6.761 1.00 0.00 C ATOM 415 CD LYS A 30 8.704 2.899 -7.660 1.00 0.00 C ATOM 416 CE LYS A 30 7.508 3.822 -7.487 1.00 0.00 C ATOM 417 NZ LYS A 30 7.638 5.058 -8.307 1.00 0.00 N ATOM 0 H LYS A 30 6.958 2.622 -3.735 1.00 0.00 H new ATOM 0 HA LYS A 30 8.227 0.114 -4.666 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.805 3.046 -5.129 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.098 1.868 -5.246 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.227 0.879 -7.156 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.573 1.309 -6.765 1.00 0.00 H new ATOM 0 HD2 LYS A 30 9.621 3.443 -7.432 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.773 2.581 -8.700 1.00 0.00 H new ATOM 0 HE2 LYS A 30 6.597 3.293 -7.769 1.00 0.00 H new ATOM 0 HE3 LYS A 30 7.407 4.092 -6.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.803 5.661 -8.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.493 5.576 -8.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.709 4.802 -9.312 1.00 0.00 H new ATOM 431 N VAL A 31 10.219 0.286 -3.026 1.00 0.00 N ATOM 432 CA VAL A 31 11.102 0.160 -1.873 1.00 0.00 C ATOM 433 C VAL A 31 12.563 0.087 -2.304 1.00 0.00 C ATOM 434 O VAL A 31 12.887 -0.485 -3.344 1.00 0.00 O ATOM 435 CB VAL A 31 10.761 -1.090 -1.039 1.00 0.00 C ATOM 436 CG1 VAL A 31 11.284 -2.345 -1.721 1.00 0.00 C ATOM 437 CG2 VAL A 31 11.327 -0.963 0.367 1.00 0.00 C ATOM 0 H VAL A 31 10.486 -0.288 -3.826 1.00 0.00 H new ATOM 0 HA VAL A 31 10.951 1.049 -1.261 1.00 0.00 H new ATOM 0 HB VAL A 31 9.677 -1.171 -0.964 1.00 0.00 H new ATOM 0 HG11 VAL A 31 11.034 -3.218 -1.118 1.00 0.00 H new ATOM 0 HG12 VAL A 31 10.827 -2.441 -2.706 1.00 0.00 H new ATOM 0 HG13 VAL A 31 12.366 -2.276 -1.829 1.00 0.00 H new ATOM 0 HG21 VAL A 31 11.077 -1.855 0.942 1.00 0.00 H new ATOM 0 HG22 VAL A 31 12.411 -0.857 0.315 1.00 0.00 H new ATOM 0 HG23 VAL A 31 10.900 -0.086 0.853 1.00 0.00 H new ATOM 447 N LYS A 32 13.441 0.671 -1.496 1.00 0.00 N ATOM 448 CA LYS A 32 14.869 0.672 -1.791 1.00 0.00 C ATOM 449 C LYS A 32 15.487 -0.691 -1.496 1.00 0.00 C ATOM 450 O LYS A 32 15.373 -1.207 -0.384 1.00 0.00 O ATOM 451 CB LYS A 32 15.579 1.754 -0.974 1.00 0.00 C ATOM 452 CG LYS A 32 16.826 2.303 -1.645 1.00 0.00 C ATOM 453 CD LYS A 32 16.477 3.200 -2.821 1.00 0.00 C ATOM 454 CE LYS A 32 17.491 3.063 -3.947 1.00 0.00 C ATOM 455 NZ LYS A 32 17.662 4.338 -4.697 1.00 0.00 N ATOM 0 H LYS A 32 13.189 1.150 -0.631 1.00 0.00 H new ATOM 0 HA LYS A 32 14.995 0.886 -2.852 1.00 0.00 H new ATOM 0 HB2 LYS A 32 14.884 2.574 -0.791 1.00 0.00 H new ATOM 0 HB3 LYS A 32 15.851 1.343 -0.002 1.00 0.00 H new ATOM 0 HG2 LYS A 32 17.413 2.865 -0.919 1.00 0.00 H new ATOM 0 HG3 LYS A 32 17.449 1.477 -1.988 1.00 0.00 H new ATOM 0 HD2 LYS A 32 15.484 2.946 -3.191 1.00 0.00 H new ATOM 0 HD3 LYS A 32 16.438 4.238 -2.489 1.00 0.00 H new ATOM 0 HE2 LYS A 32 18.451 2.752 -3.535 1.00 0.00 H new ATOM 0 HE3 LYS A 32 17.169 2.279 -4.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 18.361 4.204 -5.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 16.751 4.622 -5.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 17.994 5.080 -4.049 1.00 0.00 H new ATOM 469 N ALA A 33 16.143 -1.268 -2.497 1.00 0.00 N ATOM 470 CA ALA A 33 16.781 -2.569 -2.343 1.00 0.00 C ATOM 471 C ALA A 33 18.229 -2.530 -2.820 1.00 0.00 C ATOM 472 O ALA A 33 18.533 -1.950 -3.862 1.00 0.00 O ATOM 473 CB ALA A 33 16.002 -3.633 -3.102 1.00 0.00 C ATOM 0 H ALA A 33 16.247 -0.855 -3.424 1.00 0.00 H new ATOM 0 HA ALA A 33 16.781 -2.822 -1.283 1.00 0.00 H new ATOM 0 HB1 ALA A 33 16.490 -4.599 -2.978 1.00 0.00 H new ATOM 0 HB2 ALA A 33 14.986 -3.687 -2.712 1.00 0.00 H new ATOM 0 HB3 ALA A 33 15.971 -3.375 -4.161 1.00 0.00 H new ATOM 479 N GLU A 34 19.118 -3.150 -2.050 1.00 0.00 N ATOM 480 CA GLU A 34 20.534 -3.184 -2.394 1.00 0.00 C ATOM 481 C GLU A 34 20.933 -4.559 -2.923 1.00 0.00 C ATOM 482 O GLU A 34 21.674 -4.669 -3.899 1.00 0.00 O ATOM 483 CB GLU A 34 21.387 -2.827 -1.175 1.00 0.00 C ATOM 484 CG GLU A 34 21.217 -1.390 -0.713 1.00 0.00 C ATOM 485 CD GLU A 34 22.301 -0.955 0.254 1.00 0.00 C ATOM 486 OE1 GLU A 34 22.141 -1.188 1.470 1.00 0.00 O ATOM 487 OE2 GLU A 34 23.311 -0.383 -0.207 1.00 0.00 O ATOM 0 H GLU A 34 18.882 -3.635 -1.184 1.00 0.00 H new ATOM 0 HA GLU A 34 20.708 -2.448 -3.178 1.00 0.00 H new ATOM 0 HB2 GLU A 34 21.130 -3.496 -0.354 1.00 0.00 H new ATOM 0 HB3 GLU A 34 22.436 -3.002 -1.413 1.00 0.00 H new ATOM 0 HG2 GLU A 34 21.224 -0.730 -1.581 1.00 0.00 H new ATOM 0 HG3 GLU A 34 20.244 -1.279 -0.235 1.00 0.00 H new ATOM 494 N ASP A 35 20.437 -5.604 -2.270 1.00 0.00 N ATOM 495 CA ASP A 35 20.740 -6.972 -2.673 1.00 0.00 C ATOM 496 C ASP A 35 19.636 -7.534 -3.563 1.00 0.00 C ATOM 497 O ASP A 35 18.516 -7.021 -3.580 1.00 0.00 O ATOM 498 CB ASP A 35 20.921 -7.861 -1.442 1.00 0.00 C ATOM 499 CG ASP A 35 22.351 -7.867 -0.937 1.00 0.00 C ATOM 500 OD1 ASP A 35 22.997 -6.799 -0.973 1.00 0.00 O ATOM 501 OD2 ASP A 35 22.824 -8.940 -0.507 1.00 0.00 O ATOM 0 H ASP A 35 19.823 -5.530 -1.459 1.00 0.00 H new ATOM 0 HA ASP A 35 21.670 -6.959 -3.242 1.00 0.00 H new ATOM 0 HB2 ASP A 35 20.260 -7.515 -0.647 1.00 0.00 H new ATOM 0 HB3 ASP A 35 20.621 -8.880 -1.686 1.00 0.00 H new ATOM 506 N LEU A 36 19.958 -8.590 -4.302 1.00 0.00 N ATOM 507 CA LEU A 36 18.994 -9.221 -5.196 1.00 0.00 C ATOM 508 C LEU A 36 18.424 -10.491 -4.573 1.00 0.00 C ATOM 509 O LEU A 36 17.229 -10.769 -4.686 1.00 0.00 O ATOM 510 CB LEU A 36 19.652 -9.549 -6.538 1.00 0.00 C ATOM 511 CG LEU A 36 20.478 -8.429 -7.172 1.00 0.00 C ATOM 512 CD1 LEU A 36 21.011 -8.862 -8.529 1.00 0.00 C ATOM 513 CD2 LEU A 36 19.646 -7.162 -7.303 1.00 0.00 C ATOM 0 H LEU A 36 20.880 -9.027 -4.300 1.00 0.00 H new ATOM 0 HA LEU A 36 18.176 -8.520 -5.361 1.00 0.00 H new ATOM 0 HB2 LEU A 36 20.298 -10.416 -6.401 1.00 0.00 H new ATOM 0 HB3 LEU A 36 18.872 -9.840 -7.241 1.00 0.00 H new ATOM 0 HG LEU A 36 21.327 -8.217 -6.522 1.00 0.00 H new ATOM 0 HD11 LEU A 36 21.596 -8.052 -8.965 1.00 0.00 H new ATOM 0 HD12 LEU A 36 21.643 -9.742 -8.408 1.00 0.00 H new ATOM 0 HD13 LEU A 36 20.177 -9.102 -9.188 1.00 0.00 H new ATOM 0 HD21 LEU A 36 20.250 -6.376 -7.756 1.00 0.00 H new ATOM 0 HD22 LEU A 36 18.778 -7.360 -7.931 1.00 0.00 H new ATOM 0 HD23 LEU A 36 19.314 -6.841 -6.316 1.00 0.00 H new ATOM 525 N LEU A 37 19.284 -11.257 -3.912 1.00 0.00 N ATOM 526 CA LEU A 37 18.866 -12.497 -3.267 1.00 0.00 C ATOM 527 C LEU A 37 17.699 -12.250 -2.317 1.00 0.00 C ATOM 528 O LEU A 37 16.760 -13.044 -2.251 1.00 0.00 O ATOM 529 CB LEU A 37 20.037 -13.119 -2.505 1.00 0.00 C ATOM 530 CG LEU A 37 21.144 -13.736 -3.361 1.00 0.00 C ATOM 531 CD1 LEU A 37 20.604 -14.908 -4.167 1.00 0.00 C ATOM 532 CD2 LEU A 37 21.753 -12.689 -4.281 1.00 0.00 C ATOM 0 H LEU A 37 20.276 -11.042 -3.808 1.00 0.00 H new ATOM 0 HA LEU A 37 18.538 -13.189 -4.043 1.00 0.00 H new ATOM 0 HB2 LEU A 37 20.481 -12.351 -1.871 1.00 0.00 H new ATOM 0 HB3 LEU A 37 19.644 -13.891 -1.843 1.00 0.00 H new ATOM 0 HG LEU A 37 21.926 -14.107 -2.698 1.00 0.00 H new ATOM 0 HD11 LEU A 37 21.405 -15.335 -4.770 1.00 0.00 H new ATOM 0 HD12 LEU A 37 20.216 -15.668 -3.489 1.00 0.00 H new ATOM 0 HD13 LEU A 37 19.803 -14.562 -4.820 1.00 0.00 H new ATOM 0 HD21 LEU A 37 22.539 -13.146 -4.882 1.00 0.00 H new ATOM 0 HD22 LEU A 37 20.981 -12.288 -4.937 1.00 0.00 H new ATOM 0 HD23 LEU A 37 22.177 -11.882 -3.683 1.00 0.00 H new ATOM 544 N ARG A 38 17.764 -11.144 -1.583 1.00 0.00 N ATOM 545 CA ARG A 38 16.712 -10.791 -0.637 1.00 0.00 C ATOM 546 C ARG A 38 15.600 -10.007 -1.328 1.00 0.00 C ATOM 547 O ARG A 38 15.855 -9.214 -2.235 1.00 0.00 O ATOM 548 CB ARG A 38 17.290 -9.969 0.517 1.00 0.00 C ATOM 549 CG ARG A 38 18.410 -10.674 1.265 1.00 0.00 C ATOM 550 CD ARG A 38 17.897 -11.893 2.016 1.00 0.00 C ATOM 551 NE ARG A 38 18.988 -12.728 2.513 1.00 0.00 N ATOM 552 CZ ARG A 38 18.812 -13.948 3.008 1.00 0.00 C ATOM 553 NH1 ARG A 38 17.596 -14.473 3.071 1.00 0.00 N ATOM 554 NH2 ARG A 38 19.855 -14.646 3.440 1.00 0.00 N ATOM 0 H ARG A 38 18.534 -10.477 -1.625 1.00 0.00 H new ATOM 0 HA ARG A 38 16.289 -11.714 -0.241 1.00 0.00 H new ATOM 0 HB2 ARG A 38 17.665 -9.023 0.126 1.00 0.00 H new ATOM 0 HB3 ARG A 38 16.490 -9.730 1.218 1.00 0.00 H new ATOM 0 HG2 ARG A 38 19.184 -10.978 0.561 1.00 0.00 H new ATOM 0 HG3 ARG A 38 18.873 -9.981 1.967 1.00 0.00 H new ATOM 0 HD2 ARG A 38 17.278 -11.569 2.853 1.00 0.00 H new ATOM 0 HD3 ARG A 38 17.260 -12.483 1.357 1.00 0.00 H new ATOM 0 HE ARG A 38 19.936 -12.354 2.478 1.00 0.00 H new ATOM 0 HH11 ARG A 38 16.792 -13.940 2.739 1.00 0.00 H new ATOM 0 HH12 ARG A 38 17.464 -15.410 3.452 1.00 0.00 H new ATOM 0 HH21 ARG A 38 20.792 -14.246 3.392 1.00 0.00 H new ATOM 0 HH22 ARG A 38 19.720 -15.583 3.820 1.00 0.00 H new ATOM 568 N LYS A 39 14.366 -10.234 -0.892 1.00 0.00 N ATOM 569 CA LYS A 39 13.213 -9.549 -1.467 1.00 0.00 C ATOM 570 C LYS A 39 12.252 -9.092 -0.374 1.00 0.00 C ATOM 571 O LYS A 39 11.728 -9.893 0.400 1.00 0.00 O ATOM 572 CB LYS A 39 12.486 -10.469 -2.450 1.00 0.00 C ATOM 573 CG LYS A 39 13.067 -10.441 -3.853 1.00 0.00 C ATOM 574 CD LYS A 39 12.082 -10.983 -4.875 1.00 0.00 C ATOM 575 CE LYS A 39 12.164 -12.498 -4.980 1.00 0.00 C ATOM 576 NZ LYS A 39 13.574 -12.976 -5.003 1.00 0.00 N ATOM 0 H LYS A 39 14.138 -10.887 -0.142 1.00 0.00 H new ATOM 0 HA LYS A 39 13.572 -8.669 -2.001 1.00 0.00 H new ATOM 0 HB2 LYS A 39 12.521 -11.491 -2.072 1.00 0.00 H new ATOM 0 HB3 LYS A 39 11.436 -10.181 -2.495 1.00 0.00 H new ATOM 0 HG2 LYS A 39 13.339 -9.418 -4.115 1.00 0.00 H new ATOM 0 HG3 LYS A 39 13.983 -11.031 -3.880 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.070 -10.691 -4.596 1.00 0.00 H new ATOM 0 HD3 LYS A 39 12.285 -10.538 -5.849 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.641 -12.949 -4.137 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.654 -12.828 -5.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 13.625 -13.881 -5.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 14.171 -12.274 -5.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 13.912 -13.107 -4.028 1.00 0.00 H new ATOM 590 N PRO A 40 12.012 -7.774 -0.309 1.00 0.00 N ATOM 591 CA PRO A 40 11.110 -7.182 0.683 1.00 0.00 C ATOM 592 C PRO A 40 9.650 -7.534 0.423 1.00 0.00 C ATOM 593 O PRO A 40 9.105 -7.229 -0.639 1.00 0.00 O ATOM 594 CB PRO A 40 11.335 -5.677 0.514 1.00 0.00 C ATOM 595 CG PRO A 40 11.809 -5.521 -0.890 1.00 0.00 C ATOM 596 CD PRO A 40 12.601 -6.761 -1.200 1.00 0.00 C ATOM 0 HA PRO A 40 11.315 -7.548 1.689 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.416 -5.117 0.686 1.00 0.00 H new ATOM 0 HB3 PRO A 40 12.073 -5.305 1.225 1.00 0.00 H new ATOM 0 HG2 PRO A 40 10.969 -5.413 -1.576 1.00 0.00 H new ATOM 0 HG3 PRO A 40 12.425 -4.628 -0.997 1.00 0.00 H new ATOM 0 HD2 PRO A 40 12.508 -7.045 -2.248 1.00 0.00 H new ATOM 0 HD3 PRO A 40 13.663 -6.620 -1.001 1.00 0.00 H new ATOM 604 N THR A 41 9.018 -8.179 1.399 1.00 0.00 N ATOM 605 CA THR A 41 7.621 -8.574 1.276 1.00 0.00 C ATOM 606 C THR A 41 6.690 -7.417 1.621 1.00 0.00 C ATOM 607 O THR A 41 6.937 -6.672 2.570 1.00 0.00 O ATOM 608 CB THR A 41 7.293 -9.772 2.187 1.00 0.00 C ATOM 609 OG1 THR A 41 8.249 -10.818 1.984 1.00 0.00 O ATOM 610 CG2 THR A 41 5.892 -10.296 1.908 1.00 0.00 C ATOM 0 H THR A 41 9.453 -8.439 2.284 1.00 0.00 H new ATOM 0 HA THR A 41 7.465 -8.865 0.237 1.00 0.00 H new ATOM 0 HB THR A 41 7.338 -9.436 3.223 1.00 0.00 H new ATOM 0 HG1 THR A 41 8.034 -11.575 2.568 1.00 0.00 H new ATOM 0 HG21 THR A 41 5.683 -11.142 2.563 1.00 0.00 H new ATOM 0 HG22 THR A 41 5.164 -9.506 2.092 1.00 0.00 H new ATOM 0 HG23 THR A 41 5.824 -10.617 0.868 1.00 0.00 H new ATOM 618 N ILE A 42 5.620 -7.273 0.846 1.00 0.00 N ATOM 619 CA ILE A 42 4.652 -6.207 1.072 1.00 0.00 C ATOM 620 C ILE A 42 3.255 -6.774 1.302 1.00 0.00 C ATOM 621 O ILE A 42 2.723 -7.502 0.464 1.00 0.00 O ATOM 622 CB ILE A 42 4.607 -5.226 -0.114 1.00 0.00 C ATOM 623 CG1 ILE A 42 3.628 -4.087 0.174 1.00 0.00 C ATOM 624 CG2 ILE A 42 4.218 -5.956 -1.391 1.00 0.00 C ATOM 625 CD1 ILE A 42 3.924 -2.824 -0.604 1.00 0.00 C ATOM 0 H ILE A 42 5.402 -7.881 0.057 1.00 0.00 H new ATOM 0 HA ILE A 42 4.976 -5.670 1.964 1.00 0.00 H new ATOM 0 HB ILE A 42 5.601 -4.799 -0.251 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.617 -4.420 -0.061 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.650 -3.861 1.240 1.00 0.00 H new ATOM 0 HG21 ILE A 42 4.191 -5.249 -2.220 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.951 -6.735 -1.602 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.234 -6.408 -1.267 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.190 -2.059 -0.350 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.922 -2.467 -0.352 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.873 -3.034 -1.672 1.00 0.00 H new ATOM 637 N LYS A 43 2.665 -6.433 2.442 1.00 0.00 N ATOM 638 CA LYS A 43 1.327 -6.904 2.783 1.00 0.00 C ATOM 639 C LYS A 43 0.367 -5.732 2.962 1.00 0.00 C ATOM 640 O LYS A 43 0.542 -4.905 3.857 1.00 0.00 O ATOM 641 CB LYS A 43 1.370 -7.742 4.062 1.00 0.00 C ATOM 642 CG LYS A 43 0.146 -8.621 4.255 1.00 0.00 C ATOM 643 CD LYS A 43 0.337 -9.990 3.623 1.00 0.00 C ATOM 644 CE LYS A 43 1.255 -10.866 4.461 1.00 0.00 C ATOM 645 NZ LYS A 43 1.763 -12.035 3.689 1.00 0.00 N ATOM 0 H LYS A 43 3.092 -5.832 3.147 1.00 0.00 H new ATOM 0 HA LYS A 43 0.967 -7.524 1.962 1.00 0.00 H new ATOM 0 HB2 LYS A 43 2.260 -8.371 4.044 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.468 -7.076 4.919 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.056 -8.736 5.320 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.725 -8.135 3.816 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.631 -10.478 3.510 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.755 -9.875 2.623 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.097 -10.273 4.818 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.717 -11.218 5.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.385 -12.607 4.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.961 -12.615 3.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.298 -11.699 2.863 1.00 0.00 H new ATOM 659 N TRP A 44 -0.647 -5.668 2.107 1.00 0.00 N ATOM 660 CA TRP A 44 -1.636 -4.598 2.173 1.00 0.00 C ATOM 661 C TRP A 44 -2.743 -4.941 3.164 1.00 0.00 C ATOM 662 O TRP A 44 -3.236 -6.068 3.193 1.00 0.00 O ATOM 663 CB TRP A 44 -2.234 -4.343 0.789 1.00 0.00 C ATOM 664 CG TRP A 44 -1.202 -4.081 -0.265 1.00 0.00 C ATOM 665 CD1 TRP A 44 -0.353 -4.992 -0.826 1.00 0.00 C ATOM 666 CD2 TRP A 44 -0.908 -2.823 -0.883 1.00 0.00 C ATOM 667 NE1 TRP A 44 0.451 -4.377 -1.755 1.00 0.00 N ATOM 668 CE2 TRP A 44 0.130 -3.046 -1.810 1.00 0.00 C ATOM 669 CE3 TRP A 44 -1.421 -1.530 -0.745 1.00 0.00 C ATOM 670 CZ2 TRP A 44 0.662 -2.024 -2.592 1.00 0.00 C ATOM 671 CZ3 TRP A 44 -0.891 -0.517 -1.522 1.00 0.00 C ATOM 672 CH2 TRP A 44 0.140 -0.769 -2.436 1.00 0.00 C ATOM 0 H TRP A 44 -0.806 -6.344 1.360 1.00 0.00 H new ATOM 0 HA TRP A 44 -1.134 -3.693 2.516 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.832 -5.206 0.495 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.910 -3.490 0.845 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -0.319 -6.042 -0.576 1.00 0.00 H new ATOM 0 HE1 TRP A 44 1.170 -4.837 -2.313 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -2.217 -1.326 -0.044 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 1.458 -2.215 -3.296 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -1.279 0.486 -1.423 1.00 0.00 H new ATOM 0 HH2 TRP A 44 0.531 0.044 -3.030 1.00 0.00 H new ATOM 683 N PHE A 45 -3.131 -3.961 3.973 1.00 0.00 N ATOM 684 CA PHE A 45 -4.180 -4.159 4.966 1.00 0.00 C ATOM 685 C PHE A 45 -5.219 -3.044 4.890 1.00 0.00 C ATOM 686 O PHE A 45 -4.970 -1.986 4.312 1.00 0.00 O ATOM 687 CB PHE A 45 -3.578 -4.216 6.371 1.00 0.00 C ATOM 688 CG PHE A 45 -2.922 -5.529 6.690 1.00 0.00 C ATOM 689 CD1 PHE A 45 -1.584 -5.738 6.399 1.00 0.00 C ATOM 690 CD2 PHE A 45 -3.644 -6.553 7.281 1.00 0.00 C ATOM 691 CE1 PHE A 45 -0.978 -6.946 6.691 1.00 0.00 C ATOM 692 CE2 PHE A 45 -3.044 -7.763 7.575 1.00 0.00 C ATOM 693 CZ PHE A 45 -1.709 -7.959 7.281 1.00 0.00 C ATOM 0 H PHE A 45 -2.734 -3.021 3.960 1.00 0.00 H new ATOM 0 HA PHE A 45 -4.674 -5.107 4.752 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.844 -3.417 6.475 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -4.363 -4.024 7.102 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.008 -4.949 5.939 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.688 -6.404 7.515 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.066 -7.097 6.458 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.618 -8.554 8.034 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.237 -8.903 7.512 1.00 0.00 H new ATOM 703 N LYS A 46 -6.385 -3.289 5.477 1.00 0.00 N ATOM 704 CA LYS A 46 -7.463 -2.307 5.478 1.00 0.00 C ATOM 705 C LYS A 46 -8.249 -2.363 6.784 1.00 0.00 C ATOM 706 O LYS A 46 -8.389 -3.424 7.391 1.00 0.00 O ATOM 707 CB LYS A 46 -8.403 -2.550 4.295 1.00 0.00 C ATOM 708 CG LYS A 46 -9.187 -1.317 3.878 1.00 0.00 C ATOM 709 CD LYS A 46 -10.512 -1.224 4.616 1.00 0.00 C ATOM 710 CE LYS A 46 -11.480 -0.290 3.907 1.00 0.00 C ATOM 711 NZ LYS A 46 -12.870 -0.436 4.421 1.00 0.00 N ATOM 0 H LYS A 46 -6.608 -4.160 5.959 1.00 0.00 H new ATOM 0 HA LYS A 46 -7.018 -1.316 5.384 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -7.820 -2.904 3.445 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -9.103 -3.345 4.555 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.595 -0.424 4.077 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -9.369 -1.346 2.804 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -10.955 -2.217 4.696 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -10.340 -0.868 5.632 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -11.151 0.741 4.038 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.465 -0.496 2.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -13.332 0.496 4.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -13.406 -1.073 3.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -12.845 -0.833 5.382 1.00 0.00 H new ATOM 725 N GLY A 47 -8.762 -1.213 7.212 1.00 0.00 N ATOM 726 CA GLY A 47 -9.528 -1.154 8.442 1.00 0.00 C ATOM 727 C GLY A 47 -8.690 -1.475 9.664 1.00 0.00 C ATOM 728 O GLY A 47 -7.558 -1.007 9.791 1.00 0.00 O ATOM 0 H GLY A 47 -8.660 -0.321 6.728 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -9.957 -0.158 8.551 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.360 -1.855 8.382 1.00 0.00 H new ATOM 732 N LYS A 48 -9.245 -2.276 10.567 1.00 0.00 N ATOM 733 CA LYS A 48 -8.542 -2.660 11.785 1.00 0.00 C ATOM 734 C LYS A 48 -7.960 -4.064 11.657 1.00 0.00 C ATOM 735 O LYS A 48 -6.769 -4.275 11.884 1.00 0.00 O ATOM 736 CB LYS A 48 -9.489 -2.596 12.986 1.00 0.00 C ATOM 737 CG LYS A 48 -8.790 -2.267 14.294 1.00 0.00 C ATOM 738 CD LYS A 48 -7.952 -3.433 14.788 1.00 0.00 C ATOM 739 CE LYS A 48 -7.329 -3.138 16.143 1.00 0.00 C ATOM 740 NZ LYS A 48 -6.191 -2.183 16.035 1.00 0.00 N ATOM 0 H LYS A 48 -10.181 -2.672 10.478 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.722 -1.959 11.939 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.255 -1.845 12.794 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.999 -3.554 13.087 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.154 -1.393 14.157 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.532 -2.006 15.048 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.574 -4.325 14.859 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.166 -3.650 14.065 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.087 -2.726 16.809 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.981 -4.068 16.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.794 -2.008 16.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.456 -2.587 15.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.528 -1.286 15.629 1.00 0.00 H new ATOM 754 N TRP A 49 -8.807 -5.020 11.292 1.00 0.00 N ATOM 755 CA TRP A 49 -8.375 -6.404 11.132 1.00 0.00 C ATOM 756 C TRP A 49 -8.401 -6.817 9.665 1.00 0.00 C ATOM 757 O TRP A 49 -7.557 -7.590 9.213 1.00 0.00 O ATOM 758 CB TRP A 49 -9.267 -7.336 11.954 1.00 0.00 C ATOM 759 CG TRP A 49 -9.511 -6.847 13.350 1.00 0.00 C ATOM 760 CD1 TRP A 49 -10.395 -5.881 13.737 1.00 0.00 C ATOM 761 CD2 TRP A 49 -8.860 -7.299 14.542 1.00 0.00 C ATOM 762 NE1 TRP A 49 -10.334 -5.706 15.099 1.00 0.00 N ATOM 763 CE2 TRP A 49 -9.400 -6.564 15.616 1.00 0.00 C ATOM 764 CE3 TRP A 49 -7.875 -8.254 14.808 1.00 0.00 C ATOM 765 CZ2 TRP A 49 -8.986 -6.756 16.931 1.00 0.00 C ATOM 766 CZ3 TRP A 49 -7.465 -8.443 16.114 1.00 0.00 C ATOM 767 CH2 TRP A 49 -8.020 -7.697 17.162 1.00 0.00 C ATOM 0 H TRP A 49 -9.797 -4.862 11.101 1.00 0.00 H new ATOM 0 HA TRP A 49 -7.349 -6.482 11.493 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -10.224 -7.453 11.445 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -8.806 -8.323 11.998 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -11.046 -5.335 13.071 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -10.894 -5.045 15.637 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -7.442 -8.834 14.007 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -9.412 -6.182 17.741 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -6.704 -9.178 16.330 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -7.679 -7.868 18.172 1.00 0.00 H new ATOM 778 N MET A 50 -9.376 -6.297 8.926 1.00 0.00 N ATOM 779 CA MET A 50 -9.511 -6.612 7.509 1.00 0.00 C ATOM 780 C MET A 50 -8.152 -6.590 6.815 1.00 0.00 C ATOM 781 O MET A 50 -7.477 -5.561 6.784 1.00 0.00 O ATOM 782 CB MET A 50 -10.458 -5.620 6.831 1.00 0.00 C ATOM 783 CG MET A 50 -11.193 -6.201 5.635 1.00 0.00 C ATOM 784 SD MET A 50 -12.026 -4.940 4.651 1.00 0.00 S ATOM 785 CE MET A 50 -10.894 -4.784 3.272 1.00 0.00 C ATOM 0 H MET A 50 -10.084 -5.656 9.285 1.00 0.00 H new ATOM 0 HA MET A 50 -9.927 -7.616 7.424 1.00 0.00 H new ATOM 0 HB2 MET A 50 -11.188 -5.271 7.561 1.00 0.00 H new ATOM 0 HB3 MET A 50 -9.888 -4.749 6.508 1.00 0.00 H new ATOM 0 HG2 MET A 50 -10.485 -6.739 5.005 1.00 0.00 H new ATOM 0 HG3 MET A 50 -11.927 -6.928 5.983 1.00 0.00 H new ATOM 0 HE1 MET A 50 -10.717 -3.729 3.064 1.00 0.00 H new ATOM 0 HE2 MET A 50 -9.950 -5.268 3.520 1.00 0.00 H new ATOM 0 HE3 MET A 50 -11.326 -5.260 2.391 1.00 0.00 H new ATOM 795 N ASP A 51 -7.757 -7.731 6.262 1.00 0.00 N ATOM 796 CA ASP A 51 -6.479 -7.842 5.568 1.00 0.00 C ATOM 797 C ASP A 51 -6.689 -8.008 4.066 1.00 0.00 C ATOM 798 O ASP A 51 -7.186 -9.037 3.607 1.00 0.00 O ATOM 799 CB ASP A 51 -5.678 -9.024 6.117 1.00 0.00 C ATOM 800 CG ASP A 51 -4.344 -9.194 5.417 1.00 0.00 C ATOM 801 OD1 ASP A 51 -3.737 -8.170 5.038 1.00 0.00 O ATOM 802 OD2 ASP A 51 -3.907 -10.351 5.248 1.00 0.00 O ATOM 0 H ASP A 51 -8.303 -8.592 6.281 1.00 0.00 H new ATOM 0 HA ASP A 51 -5.919 -6.922 5.739 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -5.509 -8.881 7.184 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -6.262 -9.938 6.007 1.00 0.00 H new ATOM 807 N LEU A 52 -6.307 -6.988 3.305 1.00 0.00 N ATOM 808 CA LEU A 52 -6.453 -7.020 1.854 1.00 0.00 C ATOM 809 C LEU A 52 -5.725 -8.220 1.259 1.00 0.00 C ATOM 810 O LEU A 52 -6.251 -8.908 0.385 1.00 0.00 O ATOM 811 CB LEU A 52 -5.916 -5.726 1.239 1.00 0.00 C ATOM 812 CG LEU A 52 -6.475 -4.426 1.816 1.00 0.00 C ATOM 813 CD1 LEU A 52 -5.714 -3.228 1.269 1.00 0.00 C ATOM 814 CD2 LEU A 52 -7.961 -4.301 1.510 1.00 0.00 C ATOM 0 H LEU A 52 -5.894 -6.129 3.669 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.514 -7.112 1.623 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.832 -5.715 1.355 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.122 -5.743 0.169 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.348 -4.448 2.898 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.126 -2.311 1.691 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -4.661 -3.311 1.540 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -5.808 -3.202 0.183 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -8.342 -3.369 1.929 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.112 -4.302 0.430 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.495 -5.142 1.952 1.00 0.00 H new ATOM 826 N ALA A 53 -4.511 -8.468 1.741 1.00 0.00 N ATOM 827 CA ALA A 53 -3.712 -9.588 1.260 1.00 0.00 C ATOM 828 C ALA A 53 -4.568 -10.837 1.081 1.00 0.00 C ATOM 829 O ALA A 53 -4.380 -11.600 0.134 1.00 0.00 O ATOM 830 CB ALA A 53 -2.562 -9.865 2.217 1.00 0.00 C ATOM 0 H ALA A 53 -4.060 -7.908 2.464 1.00 0.00 H new ATOM 0 HA ALA A 53 -3.303 -9.319 0.286 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -1.974 -10.704 1.845 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.928 -8.981 2.290 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -2.959 -10.109 3.202 1.00 0.00 H new ATOM 836 N SER A 54 -5.508 -11.040 1.999 1.00 0.00 N ATOM 837 CA SER A 54 -6.391 -12.199 1.945 1.00 0.00 C ATOM 838 C SER A 54 -7.537 -11.965 0.966 1.00 0.00 C ATOM 839 O SER A 54 -8.023 -12.897 0.325 1.00 0.00 O ATOM 840 CB SER A 54 -6.948 -12.507 3.336 1.00 0.00 C ATOM 841 OG SER A 54 -8.020 -13.432 3.263 1.00 0.00 O ATOM 0 H SER A 54 -5.677 -10.417 2.789 1.00 0.00 H new ATOM 0 HA SER A 54 -5.809 -13.052 1.597 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.157 -12.912 3.967 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.290 -11.585 3.806 1.00 0.00 H new ATOM 0 HG SER A 54 -8.357 -13.613 4.165 1.00 0.00 H new ATOM 847 N LYS A 55 -7.965 -10.712 0.855 1.00 0.00 N ATOM 848 CA LYS A 55 -9.053 -10.351 -0.046 1.00 0.00 C ATOM 849 C LYS A 55 -8.650 -10.570 -1.501 1.00 0.00 C ATOM 850 O LYS A 55 -9.489 -10.873 -2.348 1.00 0.00 O ATOM 851 CB LYS A 55 -9.458 -8.891 0.168 1.00 0.00 C ATOM 852 CG LYS A 55 -9.925 -8.590 1.582 1.00 0.00 C ATOM 853 CD LYS A 55 -11.371 -9.007 1.792 1.00 0.00 C ATOM 854 CE LYS A 55 -12.023 -8.213 2.913 1.00 0.00 C ATOM 855 NZ LYS A 55 -13.236 -8.894 3.443 1.00 0.00 N ATOM 0 H LYS A 55 -7.574 -9.929 1.379 1.00 0.00 H new ATOM 0 HA LYS A 55 -9.904 -10.994 0.178 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.610 -8.249 -0.070 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -10.255 -8.638 -0.531 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -9.288 -9.112 2.296 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -9.820 -7.524 1.782 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.931 -8.861 0.868 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -11.414 -10.071 2.026 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -11.305 -8.069 3.721 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -12.294 -7.223 2.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -13.651 -8.321 4.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -13.932 -9.009 2.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -12.974 -9.829 3.816 1.00 0.00 H new ATOM 869 N ALA A 56 -7.361 -10.415 -1.782 1.00 0.00 N ATOM 870 CA ALA A 56 -6.846 -10.599 -3.134 1.00 0.00 C ATOM 871 C ALA A 56 -7.203 -11.980 -3.674 1.00 0.00 C ATOM 872 O ALA A 56 -6.726 -12.996 -3.170 1.00 0.00 O ATOM 873 CB ALA A 56 -5.339 -10.394 -3.157 1.00 0.00 C ATOM 0 H ALA A 56 -6.654 -10.162 -1.092 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.312 -9.854 -3.779 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.968 -10.534 -4.172 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.104 -9.384 -2.821 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.863 -11.117 -2.494 1.00 0.00 H new ATOM 879 N GLY A 57 -8.046 -12.010 -4.701 1.00 0.00 N ATOM 880 CA GLY A 57 -8.452 -13.272 -5.292 1.00 0.00 C ATOM 881 C GLY A 57 -9.119 -13.092 -6.641 1.00 0.00 C ATOM 882 O GLY A 57 -8.642 -13.610 -7.651 1.00 0.00 O ATOM 0 H GLY A 57 -8.455 -11.183 -5.135 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.579 -13.915 -5.405 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -9.138 -13.782 -4.616 1.00 0.00 H new ATOM 886 N LYS A 58 -10.226 -12.359 -6.659 1.00 0.00 N ATOM 887 CA LYS A 58 -10.961 -12.112 -7.894 1.00 0.00 C ATOM 888 C LYS A 58 -11.230 -10.622 -8.080 1.00 0.00 C ATOM 889 O LYS A 58 -10.851 -10.034 -9.093 1.00 0.00 O ATOM 890 CB LYS A 58 -12.284 -12.882 -7.887 1.00 0.00 C ATOM 891 CG LYS A 58 -13.056 -12.777 -9.191 1.00 0.00 C ATOM 892 CD LYS A 58 -14.125 -13.851 -9.294 1.00 0.00 C ATOM 893 CE LYS A 58 -15.377 -13.468 -8.520 1.00 0.00 C ATOM 894 NZ LYS A 58 -16.210 -14.657 -8.189 1.00 0.00 N ATOM 0 H LYS A 58 -10.635 -11.925 -5.832 1.00 0.00 H new ATOM 0 HA LYS A 58 -10.349 -12.459 -8.726 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -12.082 -13.932 -7.678 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -12.907 -12.509 -7.074 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -13.520 -11.793 -9.262 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -12.367 -12.866 -10.031 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -14.379 -14.013 -10.341 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -13.733 -14.793 -8.911 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -15.093 -12.956 -7.600 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -15.966 -12.764 -9.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -17.054 -14.354 -7.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -16.502 -15.131 -9.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -15.657 -15.317 -7.607 1.00 0.00 H new ATOM 908 N HIS A 59 -11.884 -10.016 -7.094 1.00 0.00 N ATOM 909 CA HIS A 59 -12.200 -8.593 -7.148 1.00 0.00 C ATOM 910 C HIS A 59 -10.954 -7.749 -6.900 1.00 0.00 C ATOM 911 O HIS A 59 -10.906 -6.573 -7.262 1.00 0.00 O ATOM 912 CB HIS A 59 -13.277 -8.249 -6.118 1.00 0.00 C ATOM 913 CG HIS A 59 -14.600 -8.893 -6.396 1.00 0.00 C ATOM 914 ND1 HIS A 59 -15.450 -8.464 -7.394 1.00 0.00 N ATOM 915 CD2 HIS A 59 -15.217 -9.941 -5.802 1.00 0.00 C ATOM 916 CE1 HIS A 59 -16.534 -9.220 -7.400 1.00 0.00 C ATOM 917 NE2 HIS A 59 -16.417 -10.124 -6.444 1.00 0.00 N ATOM 0 H HIS A 59 -12.205 -10.488 -6.249 1.00 0.00 H new ATOM 0 HA HIS A 59 -12.576 -8.368 -8.146 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -12.934 -8.555 -5.130 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -13.408 -7.167 -6.089 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -14.836 -10.525 -4.977 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -17.373 -9.116 -8.072 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -17.106 -10.842 -6.219 1.00 0.00 H new ATOM 926 N LEU A 60 -9.948 -8.357 -6.280 1.00 0.00 N ATOM 927 CA LEU A 60 -8.701 -7.661 -5.983 1.00 0.00 C ATOM 928 C LEU A 60 -7.499 -8.464 -6.471 1.00 0.00 C ATOM 929 O LEU A 60 -7.507 -9.694 -6.434 1.00 0.00 O ATOM 930 CB LEU A 60 -8.581 -7.407 -4.479 1.00 0.00 C ATOM 931 CG LEU A 60 -7.217 -6.925 -3.986 1.00 0.00 C ATOM 932 CD1 LEU A 60 -7.148 -5.406 -4.003 1.00 0.00 C ATOM 933 CD2 LEU A 60 -6.936 -7.458 -2.588 1.00 0.00 C ATOM 0 H LEU A 60 -9.972 -9.330 -5.974 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.714 -6.705 -6.507 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.330 -6.667 -4.195 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.829 -8.330 -3.954 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.452 -7.310 -4.661 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.169 -5.082 -3.649 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.303 -5.046 -5.020 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.922 -4.999 -3.352 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.961 -7.105 -2.253 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.705 -7.104 -1.902 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.940 -8.548 -2.606 1.00 0.00 H new ATOM 945 N GLN A 61 -6.469 -7.759 -6.927 1.00 0.00 N ATOM 946 CA GLN A 61 -5.259 -8.408 -7.421 1.00 0.00 C ATOM 947 C GLN A 61 -4.030 -7.546 -7.150 1.00 0.00 C ATOM 948 O GLN A 61 -3.972 -6.384 -7.556 1.00 0.00 O ATOM 949 CB GLN A 61 -5.381 -8.687 -8.920 1.00 0.00 C ATOM 950 CG GLN A 61 -6.519 -9.631 -9.272 1.00 0.00 C ATOM 951 CD GLN A 61 -6.132 -11.090 -9.133 1.00 0.00 C ATOM 952 OE1 GLN A 61 -5.730 -11.733 -10.103 1.00 0.00 O ATOM 953 NE2 GLN A 61 -6.250 -11.621 -7.922 1.00 0.00 N ATOM 0 H GLN A 61 -6.447 -6.740 -6.965 1.00 0.00 H new ATOM 0 HA GLN A 61 -5.141 -9.353 -6.891 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -5.527 -7.744 -9.446 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -4.444 -9.111 -9.280 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -7.372 -9.422 -8.626 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -6.840 -9.440 -10.296 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -6.587 -11.051 -7.146 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -6.003 -12.599 -7.768 1.00 0.00 H new ATOM 962 N LEU A 62 -3.051 -8.121 -6.462 1.00 0.00 N ATOM 963 CA LEU A 62 -1.822 -7.406 -6.137 1.00 0.00 C ATOM 964 C LEU A 62 -0.763 -7.623 -7.213 1.00 0.00 C ATOM 965 O LEU A 62 -0.770 -8.638 -7.910 1.00 0.00 O ATOM 966 CB LEU A 62 -1.286 -7.863 -4.779 1.00 0.00 C ATOM 967 CG LEU A 62 -2.314 -7.962 -3.651 1.00 0.00 C ATOM 968 CD1 LEU A 62 -1.668 -8.509 -2.387 1.00 0.00 C ATOM 969 CD2 LEU A 62 -2.946 -6.604 -3.384 1.00 0.00 C ATOM 0 H LEU A 62 -3.084 -9.081 -6.118 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.053 -6.342 -6.091 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.819 -8.840 -4.905 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.502 -7.172 -4.469 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.100 -8.651 -3.961 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.414 -8.572 -1.595 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.264 -9.502 -2.585 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.862 -7.845 -2.074 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.675 -6.694 -2.578 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.172 -5.893 -3.095 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.445 -6.251 -4.287 1.00 0.00 H new ATOM 981 N LYS A 63 0.147 -6.664 -7.343 1.00 0.00 N ATOM 982 CA LYS A 63 1.215 -6.751 -8.332 1.00 0.00 C ATOM 983 C LYS A 63 2.578 -6.535 -7.681 1.00 0.00 C ATOM 984 O LYS A 63 2.698 -5.797 -6.704 1.00 0.00 O ATOM 985 CB LYS A 63 0.997 -5.719 -9.440 1.00 0.00 C ATOM 986 CG LYS A 63 1.513 -6.166 -10.797 1.00 0.00 C ATOM 987 CD LYS A 63 1.100 -5.201 -11.896 1.00 0.00 C ATOM 988 CE LYS A 63 2.025 -5.298 -13.099 1.00 0.00 C ATOM 989 NZ LYS A 63 2.025 -4.043 -13.901 1.00 0.00 N ATOM 0 H LYS A 63 0.166 -5.817 -6.775 1.00 0.00 H new ATOM 0 HA LYS A 63 1.194 -7.751 -8.766 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.068 -5.503 -9.519 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.492 -4.789 -9.161 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.600 -6.241 -10.767 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.131 -7.161 -11.023 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.077 -5.415 -12.204 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.110 -4.182 -11.509 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.039 -5.513 -12.761 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.715 -6.132 -13.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.668 -4.149 -14.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.062 -3.851 -14.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.345 -3.251 -13.307 1.00 0.00 H new ATOM 1003 N GLU A 64 3.601 -7.181 -8.231 1.00 0.00 N ATOM 1004 CA GLU A 64 4.955 -7.058 -7.704 1.00 0.00 C ATOM 1005 C GLU A 64 5.989 -7.276 -8.804 1.00 0.00 C ATOM 1006 O GLU A 64 5.888 -8.218 -9.590 1.00 0.00 O ATOM 1007 CB GLU A 64 5.178 -8.062 -6.571 1.00 0.00 C ATOM 1008 CG GLU A 64 6.642 -8.389 -6.328 1.00 0.00 C ATOM 1009 CD GLU A 64 6.830 -9.527 -5.344 1.00 0.00 C ATOM 1010 OE1 GLU A 64 6.828 -10.697 -5.783 1.00 0.00 O ATOM 1011 OE2 GLU A 64 6.978 -9.249 -4.136 1.00 0.00 O ATOM 0 H GLU A 64 3.518 -7.795 -9.041 1.00 0.00 H new ATOM 0 HA GLU A 64 5.075 -6.048 -7.313 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.746 -7.663 -5.653 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.642 -8.983 -6.802 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.114 -8.651 -7.275 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.151 -7.501 -5.953 1.00 0.00 H new ATOM 1018 N THR A 65 6.986 -6.397 -8.854 1.00 0.00 N ATOM 1019 CA THR A 65 8.039 -6.492 -9.857 1.00 0.00 C ATOM 1020 C THR A 65 9.370 -5.992 -9.307 1.00 0.00 C ATOM 1021 O THR A 65 9.417 -5.346 -8.259 1.00 0.00 O ATOM 1022 CB THR A 65 7.684 -5.686 -11.121 1.00 0.00 C ATOM 1023 OG1 THR A 65 8.679 -5.893 -12.129 1.00 0.00 O ATOM 1024 CG2 THR A 65 7.576 -4.202 -10.804 1.00 0.00 C ATOM 0 H THR A 65 7.086 -5.611 -8.211 1.00 0.00 H new ATOM 0 HA THR A 65 8.131 -7.546 -10.120 1.00 0.00 H new ATOM 0 HB THR A 65 6.718 -6.034 -11.488 1.00 0.00 H new ATOM 0 HG1 THR A 65 8.445 -5.379 -12.930 1.00 0.00 H new ATOM 0 HG21 THR A 65 7.325 -3.653 -11.712 1.00 0.00 H new ATOM 0 HG22 THR A 65 6.797 -4.045 -10.058 1.00 0.00 H new ATOM 0 HG23 THR A 65 8.529 -3.843 -10.415 1.00 0.00 H new ATOM 1032 N PHE A 66 10.450 -6.294 -10.019 1.00 0.00 N ATOM 1033 CA PHE A 66 11.783 -5.875 -9.601 1.00 0.00 C ATOM 1034 C PHE A 66 12.514 -5.170 -10.741 1.00 0.00 C ATOM 1035 O PHE A 66 12.323 -5.500 -11.911 1.00 0.00 O ATOM 1036 CB PHE A 66 12.595 -7.082 -9.129 1.00 0.00 C ATOM 1037 CG PHE A 66 14.048 -6.776 -8.903 1.00 0.00 C ATOM 1038 CD1 PHE A 66 14.436 -5.873 -7.926 1.00 0.00 C ATOM 1039 CD2 PHE A 66 15.026 -7.390 -9.668 1.00 0.00 C ATOM 1040 CE1 PHE A 66 15.772 -5.589 -7.715 1.00 0.00 C ATOM 1041 CE2 PHE A 66 16.364 -7.110 -9.462 1.00 0.00 C ATOM 1042 CZ PHE A 66 16.737 -6.208 -8.485 1.00 0.00 C ATOM 0 H PHE A 66 10.429 -6.827 -10.888 1.00 0.00 H new ATOM 0 HA PHE A 66 11.674 -5.173 -8.774 1.00 0.00 H new ATOM 0 HB2 PHE A 66 12.163 -7.460 -8.202 1.00 0.00 H new ATOM 0 HB3 PHE A 66 12.510 -7.878 -9.868 1.00 0.00 H new ATOM 0 HD1 PHE A 66 13.685 -5.385 -7.322 1.00 0.00 H new ATOM 0 HD2 PHE A 66 14.740 -8.095 -10.434 1.00 0.00 H new ATOM 0 HE1 PHE A 66 16.061 -4.884 -6.949 1.00 0.00 H new ATOM 0 HE2 PHE A 66 17.117 -7.596 -10.065 1.00 0.00 H new ATOM 0 HZ PHE A 66 17.782 -5.987 -8.323 1.00 0.00 H new ATOM 1052 N GLU A 67 13.350 -4.199 -10.388 1.00 0.00 N ATOM 1053 CA GLU A 67 14.108 -3.447 -11.381 1.00 0.00 C ATOM 1054 C GLU A 67 15.588 -3.398 -11.014 1.00 0.00 C ATOM 1055 O GLU A 67 16.032 -2.500 -10.299 1.00 0.00 O ATOM 1056 CB GLU A 67 13.556 -2.025 -11.508 1.00 0.00 C ATOM 1057 CG GLU A 67 12.428 -1.898 -12.518 1.00 0.00 C ATOM 1058 CD GLU A 67 12.284 -0.488 -13.057 1.00 0.00 C ATOM 1059 OE1 GLU A 67 12.929 -0.175 -14.080 1.00 0.00 O ATOM 1060 OE2 GLU A 67 11.527 0.303 -12.456 1.00 0.00 O ATOM 0 H GLU A 67 13.519 -3.915 -9.423 1.00 0.00 H new ATOM 0 HA GLU A 67 14.006 -3.956 -12.339 1.00 0.00 H new ATOM 0 HB2 GLU A 67 13.198 -1.695 -10.533 1.00 0.00 H new ATOM 0 HB3 GLU A 67 14.366 -1.354 -11.794 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.608 -2.583 -13.346 1.00 0.00 H new ATOM 0 HG3 GLU A 67 11.491 -2.202 -12.051 1.00 0.00 H new ATOM 1067 N ARG A 68 16.346 -4.372 -11.507 1.00 0.00 N ATOM 1068 CA ARG A 68 17.776 -4.442 -11.230 1.00 0.00 C ATOM 1069 C ARG A 68 18.481 -3.167 -11.682 1.00 0.00 C ATOM 1070 O ARG A 68 19.552 -2.825 -11.180 1.00 0.00 O ATOM 1071 CB ARG A 68 18.394 -5.654 -11.929 1.00 0.00 C ATOM 1072 CG ARG A 68 17.671 -6.056 -13.204 1.00 0.00 C ATOM 1073 CD ARG A 68 16.704 -7.204 -12.958 1.00 0.00 C ATOM 1074 NE ARG A 68 16.573 -8.069 -14.128 1.00 0.00 N ATOM 1075 CZ ARG A 68 15.622 -8.987 -14.260 1.00 0.00 C ATOM 1076 NH1 ARG A 68 14.724 -9.159 -13.300 1.00 0.00 N ATOM 1077 NH2 ARG A 68 15.568 -9.736 -15.354 1.00 0.00 N ATOM 0 H ARG A 68 15.994 -5.123 -12.100 1.00 0.00 H new ATOM 0 HA ARG A 68 17.907 -4.546 -10.153 1.00 0.00 H new ATOM 0 HB2 ARG A 68 19.435 -5.435 -12.166 1.00 0.00 H new ATOM 0 HB3 ARG A 68 18.395 -6.499 -11.240 1.00 0.00 H new ATOM 0 HG2 ARG A 68 17.127 -5.199 -13.601 1.00 0.00 H new ATOM 0 HG3 ARG A 68 18.400 -6.348 -13.960 1.00 0.00 H new ATOM 0 HD2 ARG A 68 17.049 -7.793 -12.108 1.00 0.00 H new ATOM 0 HD3 ARG A 68 15.726 -6.803 -12.692 1.00 0.00 H new ATOM 0 HE ARG A 68 17.249 -7.962 -14.885 1.00 0.00 H new ATOM 0 HH11 ARG A 68 14.762 -8.586 -12.457 1.00 0.00 H new ATOM 0 HH12 ARG A 68 13.995 -9.865 -13.404 1.00 0.00 H new ATOM 0 HH21 ARG A 68 16.257 -9.607 -16.095 1.00 0.00 H new ATOM 0 HH22 ARG A 68 14.837 -10.441 -15.454 1.00 0.00 H new ATOM 1091 N HIS A 69 17.873 -2.466 -12.634 1.00 0.00 N ATOM 1092 CA HIS A 69 18.442 -1.228 -13.155 1.00 0.00 C ATOM 1093 C HIS A 69 18.918 -0.329 -12.018 1.00 0.00 C ATOM 1094 O HIS A 69 20.015 0.228 -12.072 1.00 0.00 O ATOM 1095 CB HIS A 69 17.412 -0.488 -14.009 1.00 0.00 C ATOM 1096 CG HIS A 69 16.705 -1.369 -14.992 1.00 0.00 C ATOM 1097 ND1 HIS A 69 15.550 -2.060 -14.688 1.00 0.00 N ATOM 1098 CD2 HIS A 69 16.993 -1.669 -16.279 1.00 0.00 C ATOM 1099 CE1 HIS A 69 15.160 -2.747 -15.747 1.00 0.00 C ATOM 1100 NE2 HIS A 69 16.019 -2.528 -16.726 1.00 0.00 N ATOM 0 H HIS A 69 16.986 -2.734 -13.060 1.00 0.00 H new ATOM 0 HA HIS A 69 19.300 -1.484 -13.776 1.00 0.00 H new ATOM 0 HB2 HIS A 69 16.675 -0.024 -13.354 1.00 0.00 H new ATOM 0 HB3 HIS A 69 17.911 0.317 -14.548 1.00 0.00 H new ATOM 0 HD2 HIS A 69 17.833 -1.301 -16.849 1.00 0.00 H new ATOM 0 HE1 HIS A 69 14.287 -3.380 -15.803 1.00 0.00 H new ATOM 0 HE2 HIS A 69 15.967 -2.931 -17.662 1.00 0.00 H new ATOM 1109 N SER A 70 18.087 -0.192 -10.990 1.00 0.00 N ATOM 1110 CA SER A 70 18.421 0.643 -9.842 1.00 0.00 C ATOM 1111 C SER A 70 18.288 -0.144 -8.541 1.00 0.00 C ATOM 1112 O SER A 70 18.440 0.408 -7.452 1.00 0.00 O ATOM 1113 CB SER A 70 17.516 1.875 -9.801 1.00 0.00 C ATOM 1114 OG SER A 70 16.181 1.518 -9.484 1.00 0.00 O ATOM 0 H SER A 70 17.177 -0.649 -10.928 1.00 0.00 H new ATOM 0 HA SER A 70 19.457 0.965 -9.947 1.00 0.00 H new ATOM 0 HB2 SER A 70 17.892 2.582 -9.061 1.00 0.00 H new ATOM 0 HB3 SER A 70 17.541 2.381 -10.766 1.00 0.00 H new ATOM 0 HG SER A 70 15.623 2.324 -9.462 1.00 0.00 H new ATOM 1120 N ARG A 71 18.003 -1.436 -8.665 1.00 0.00 N ATOM 1121 CA ARG A 71 17.848 -2.299 -7.500 1.00 0.00 C ATOM 1122 C ARG A 71 16.663 -1.855 -6.649 1.00 0.00 C ATOM 1123 O ARG A 71 16.722 -1.884 -5.419 1.00 0.00 O ATOM 1124 CB ARG A 71 19.126 -2.289 -6.659 1.00 0.00 C ATOM 1125 CG ARG A 71 20.344 -2.825 -7.394 1.00 0.00 C ATOM 1126 CD ARG A 71 21.376 -3.385 -6.428 1.00 0.00 C ATOM 1127 NE ARG A 71 22.737 -3.246 -6.941 1.00 0.00 N ATOM 1128 CZ ARG A 71 23.269 -4.062 -7.843 1.00 0.00 C ATOM 1129 NH1 ARG A 71 22.559 -5.070 -8.331 1.00 0.00 N ATOM 1130 NH2 ARG A 71 24.514 -3.871 -8.261 1.00 0.00 N ATOM 0 H ARG A 71 17.875 -1.908 -9.560 1.00 0.00 H new ATOM 0 HA ARG A 71 17.660 -3.313 -7.852 1.00 0.00 H new ATOM 0 HB2 ARG A 71 19.329 -1.269 -6.334 1.00 0.00 H new ATOM 0 HB3 ARG A 71 18.964 -2.884 -5.760 1.00 0.00 H new ATOM 0 HG2 ARG A 71 20.036 -3.604 -8.091 1.00 0.00 H new ATOM 0 HG3 ARG A 71 20.793 -2.028 -7.986 1.00 0.00 H new ATOM 0 HD2 ARG A 71 21.295 -2.869 -5.471 1.00 0.00 H new ATOM 0 HD3 ARG A 71 21.164 -4.438 -6.242 1.00 0.00 H new ATOM 0 HE ARG A 71 23.310 -2.480 -6.587 1.00 0.00 H new ATOM 0 HH11 ARG A 71 21.601 -5.220 -8.013 1.00 0.00 H new ATOM 0 HH12 ARG A 71 22.970 -5.695 -9.024 1.00 0.00 H new ATOM 0 HH21 ARG A 71 25.064 -3.096 -7.889 1.00 0.00 H new ATOM 0 HH22 ARG A 71 24.921 -4.499 -8.954 1.00 0.00 H new ATOM 1144 N VAL A 72 15.586 -1.445 -7.311 1.00 0.00 N ATOM 1145 CA VAL A 72 14.385 -0.996 -6.615 1.00 0.00 C ATOM 1146 C VAL A 72 13.164 -1.796 -7.054 1.00 0.00 C ATOM 1147 O VAL A 72 12.915 -1.964 -8.248 1.00 0.00 O ATOM 1148 CB VAL A 72 14.121 0.502 -6.863 1.00 0.00 C ATOM 1149 CG1 VAL A 72 12.760 0.901 -6.312 1.00 0.00 C ATOM 1150 CG2 VAL A 72 15.225 1.347 -6.245 1.00 0.00 C ATOM 0 H VAL A 72 15.520 -1.414 -8.328 1.00 0.00 H new ATOM 0 HA VAL A 72 14.556 -1.156 -5.551 1.00 0.00 H new ATOM 0 HB VAL A 72 14.118 0.681 -7.938 1.00 0.00 H new ATOM 0 HG11 VAL A 72 12.590 1.962 -6.496 1.00 0.00 H new ATOM 0 HG12 VAL A 72 11.982 0.318 -6.806 1.00 0.00 H new ATOM 0 HG13 VAL A 72 12.731 0.709 -5.239 1.00 0.00 H new ATOM 0 HG21 VAL A 72 15.022 2.402 -6.430 1.00 0.00 H new ATOM 0 HG22 VAL A 72 15.262 1.167 -5.171 1.00 0.00 H new ATOM 0 HG23 VAL A 72 16.182 1.078 -6.691 1.00 0.00 H new ATOM 1160 N TYR A 73 12.405 -2.287 -6.081 1.00 0.00 N ATOM 1161 CA TYR A 73 11.210 -3.071 -6.366 1.00 0.00 C ATOM 1162 C TYR A 73 9.984 -2.172 -6.490 1.00 0.00 C ATOM 1163 O TYR A 73 9.923 -1.098 -5.890 1.00 0.00 O ATOM 1164 CB TYR A 73 10.984 -4.112 -5.268 1.00 0.00 C ATOM 1165 CG TYR A 73 12.019 -5.215 -5.256 1.00 0.00 C ATOM 1166 CD1 TYR A 73 13.362 -4.931 -5.046 1.00 0.00 C ATOM 1167 CD2 TYR A 73 11.652 -6.540 -5.455 1.00 0.00 C ATOM 1168 CE1 TYR A 73 14.311 -5.934 -5.035 1.00 0.00 C ATOM 1169 CE2 TYR A 73 12.594 -7.551 -5.444 1.00 0.00 C ATOM 1170 CZ TYR A 73 13.922 -7.243 -5.234 1.00 0.00 C ATOM 1171 OH TYR A 73 14.865 -8.246 -5.223 1.00 0.00 O ATOM 0 H TYR A 73 12.596 -2.156 -5.088 1.00 0.00 H new ATOM 0 HA TYR A 73 11.360 -3.582 -7.317 1.00 0.00 H new ATOM 0 HB2 TYR A 73 10.987 -3.612 -4.299 1.00 0.00 H new ATOM 0 HB3 TYR A 73 9.996 -4.554 -5.396 1.00 0.00 H new ATOM 0 HD1 TYR A 73 13.670 -3.908 -4.889 1.00 0.00 H new ATOM 0 HD2 TYR A 73 10.613 -6.784 -5.621 1.00 0.00 H new ATOM 0 HE1 TYR A 73 15.352 -5.695 -4.872 1.00 0.00 H new ATOM 0 HE2 TYR A 73 12.292 -8.576 -5.599 1.00 0.00 H new ATOM 0 HH TYR A 73 15.603 -7.995 -4.629 1.00 0.00 H new ATOM 1181 N THR A 74 9.007 -2.618 -7.273 1.00 0.00 N ATOM 1182 CA THR A 74 7.782 -1.855 -7.477 1.00 0.00 C ATOM 1183 C THR A 74 6.550 -2.711 -7.206 1.00 0.00 C ATOM 1184 O THR A 74 6.193 -3.574 -8.008 1.00 0.00 O ATOM 1185 CB THR A 74 7.700 -1.296 -8.910 1.00 0.00 C ATOM 1186 OG1 THR A 74 8.870 -0.524 -9.202 1.00 0.00 O ATOM 1187 CG2 THR A 74 6.460 -0.433 -9.084 1.00 0.00 C ATOM 0 H THR A 74 9.040 -3.504 -7.777 1.00 0.00 H new ATOM 0 HA THR A 74 7.806 -1.024 -6.772 1.00 0.00 H new ATOM 0 HB THR A 74 7.638 -2.136 -9.601 1.00 0.00 H new ATOM 0 HG1 THR A 74 8.811 -0.174 -10.115 1.00 0.00 H new ATOM 0 HG21 THR A 74 6.424 -0.050 -10.104 1.00 0.00 H new ATOM 0 HG22 THR A 74 5.570 -1.031 -8.890 1.00 0.00 H new ATOM 0 HG23 THR A 74 6.496 0.401 -8.384 1.00 0.00 H new ATOM 1195 N PHE A 75 5.902 -2.465 -6.072 1.00 0.00 N ATOM 1196 CA PHE A 75 4.708 -3.214 -5.696 1.00 0.00 C ATOM 1197 C PHE A 75 3.450 -2.378 -5.916 1.00 0.00 C ATOM 1198 O PHE A 75 3.368 -1.234 -5.472 1.00 0.00 O ATOM 1199 CB PHE A 75 4.794 -3.650 -4.232 1.00 0.00 C ATOM 1200 CG PHE A 75 6.120 -4.251 -3.863 1.00 0.00 C ATOM 1201 CD1 PHE A 75 6.395 -5.581 -4.142 1.00 0.00 C ATOM 1202 CD2 PHE A 75 7.092 -3.488 -3.237 1.00 0.00 C ATOM 1203 CE1 PHE A 75 7.614 -6.137 -3.804 1.00 0.00 C ATOM 1204 CE2 PHE A 75 8.313 -4.039 -2.897 1.00 0.00 C ATOM 1205 CZ PHE A 75 8.574 -5.365 -3.180 1.00 0.00 C ATOM 0 H PHE A 75 6.183 -1.753 -5.398 1.00 0.00 H new ATOM 0 HA PHE A 75 4.650 -4.099 -6.329 1.00 0.00 H new ATOM 0 HB2 PHE A 75 4.604 -2.788 -3.593 1.00 0.00 H new ATOM 0 HB3 PHE A 75 4.006 -4.376 -4.030 1.00 0.00 H new ATOM 0 HD1 PHE A 75 5.648 -6.190 -4.629 1.00 0.00 H new ATOM 0 HD2 PHE A 75 6.893 -2.451 -3.012 1.00 0.00 H new ATOM 0 HE1 PHE A 75 7.816 -7.174 -4.028 1.00 0.00 H new ATOM 0 HE2 PHE A 75 9.063 -3.433 -2.410 1.00 0.00 H new ATOM 0 HZ PHE A 75 9.527 -5.798 -2.914 1.00 0.00 H new ATOM 1215 N GLU A 76 2.474 -2.960 -6.605 1.00 0.00 N ATOM 1216 CA GLU A 76 1.221 -2.269 -6.886 1.00 0.00 C ATOM 1217 C GLU A 76 0.030 -3.069 -6.366 1.00 0.00 C ATOM 1218 O GLU A 76 0.163 -4.239 -6.009 1.00 0.00 O ATOM 1219 CB GLU A 76 1.070 -2.028 -8.389 1.00 0.00 C ATOM 1220 CG GLU A 76 2.329 -1.489 -9.048 1.00 0.00 C ATOM 1221 CD GLU A 76 2.410 -1.835 -10.522 1.00 0.00 C ATOM 1222 OE1 GLU A 76 2.831 -2.966 -10.844 1.00 0.00 O ATOM 1223 OE2 GLU A 76 2.052 -0.976 -11.354 1.00 0.00 O ATOM 0 H GLU A 76 2.527 -3.908 -6.979 1.00 0.00 H new ATOM 0 HA GLU A 76 1.244 -1.308 -6.372 1.00 0.00 H new ATOM 0 HB2 GLU A 76 0.789 -2.964 -8.872 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.253 -1.326 -8.556 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.361 -0.406 -8.931 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.203 -1.891 -8.536 1.00 0.00 H new ATOM 1230 N MET A 77 -1.134 -2.429 -6.327 1.00 0.00 N ATOM 1231 CA MET A 77 -2.349 -3.081 -5.852 1.00 0.00 C ATOM 1232 C MET A 77 -3.523 -2.785 -6.780 1.00 0.00 C ATOM 1233 O MET A 77 -4.155 -1.734 -6.679 1.00 0.00 O ATOM 1234 CB MET A 77 -2.678 -2.621 -4.431 1.00 0.00 C ATOM 1235 CG MET A 77 -4.012 -3.138 -3.917 1.00 0.00 C ATOM 1236 SD MET A 77 -4.241 -2.840 -2.154 1.00 0.00 S ATOM 1237 CE MET A 77 -4.226 -1.049 -2.109 1.00 0.00 C ATOM 0 H MET A 77 -1.262 -1.460 -6.618 1.00 0.00 H new ATOM 0 HA MET A 77 -2.176 -4.157 -5.846 1.00 0.00 H new ATOM 0 HB2 MET A 77 -1.886 -2.952 -3.759 1.00 0.00 H new ATOM 0 HB3 MET A 77 -2.685 -1.531 -4.403 1.00 0.00 H new ATOM 0 HG2 MET A 77 -4.820 -2.659 -4.470 1.00 0.00 H new ATOM 0 HG3 MET A 77 -4.082 -4.208 -4.113 1.00 0.00 H new ATOM 0 HE1 MET A 77 -4.054 -0.712 -1.087 1.00 0.00 H new ATOM 0 HE2 MET A 77 -3.430 -0.676 -2.753 1.00 0.00 H new ATOM 0 HE3 MET A 77 -5.185 -0.668 -2.460 1.00 0.00 H new ATOM 1247 N GLN A 78 -3.809 -3.719 -7.682 1.00 0.00 N ATOM 1248 CA GLN A 78 -4.907 -3.556 -8.627 1.00 0.00 C ATOM 1249 C GLN A 78 -6.230 -3.987 -8.004 1.00 0.00 C ATOM 1250 O GLN A 78 -6.437 -5.166 -7.718 1.00 0.00 O ATOM 1251 CB GLN A 78 -4.639 -4.366 -9.896 1.00 0.00 C ATOM 1252 CG GLN A 78 -5.079 -3.664 -11.171 1.00 0.00 C ATOM 1253 CD GLN A 78 -4.867 -4.514 -12.408 1.00 0.00 C ATOM 1254 OE1 GLN A 78 -5.799 -4.757 -13.176 1.00 0.00 O ATOM 1255 NE2 GLN A 78 -3.636 -4.970 -12.610 1.00 0.00 N ATOM 0 H GLN A 78 -3.296 -4.595 -7.778 1.00 0.00 H new ATOM 0 HA GLN A 78 -4.976 -2.500 -8.886 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -3.573 -4.583 -9.960 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -5.155 -5.323 -9.822 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -6.134 -3.402 -11.091 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -4.526 -2.731 -11.277 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -2.894 -4.744 -11.948 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -3.433 -5.546 -13.427 1.00 0.00 H new ATOM 1264 N ILE A 79 -7.122 -3.024 -7.797 1.00 0.00 N ATOM 1265 CA ILE A 79 -8.426 -3.305 -7.208 1.00 0.00 C ATOM 1266 C ILE A 79 -9.521 -3.297 -8.269 1.00 0.00 C ATOM 1267 O ILE A 79 -9.812 -2.262 -8.868 1.00 0.00 O ATOM 1268 CB ILE A 79 -8.781 -2.283 -6.112 1.00 0.00 C ATOM 1269 CG1 ILE A 79 -7.676 -2.231 -5.055 1.00 0.00 C ATOM 1270 CG2 ILE A 79 -10.117 -2.633 -5.474 1.00 0.00 C ATOM 1271 CD1 ILE A 79 -8.170 -1.821 -3.685 1.00 0.00 C ATOM 0 H ILE A 79 -6.966 -2.043 -8.028 1.00 0.00 H new ATOM 0 HA ILE A 79 -8.363 -4.297 -6.761 1.00 0.00 H new ATOM 0 HB ILE A 79 -8.866 -1.297 -6.569 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -7.205 -3.212 -4.984 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -6.906 -1.531 -5.380 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -10.354 -1.902 -4.701 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -10.897 -2.623 -6.235 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -10.058 -3.626 -5.028 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -7.334 -1.805 -2.986 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -8.615 -0.827 -3.741 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -8.918 -2.534 -3.339 1.00 0.00 H new ATOM 1283 N ILE A 80 -10.126 -4.459 -8.495 1.00 0.00 N ATOM 1284 CA ILE A 80 -11.192 -4.585 -9.482 1.00 0.00 C ATOM 1285 C ILE A 80 -12.563 -4.559 -8.816 1.00 0.00 C ATOM 1286 O ILE A 80 -12.759 -5.141 -7.748 1.00 0.00 O ATOM 1287 CB ILE A 80 -11.054 -5.884 -10.296 1.00 0.00 C ATOM 1288 CG1 ILE A 80 -9.586 -6.137 -10.650 1.00 0.00 C ATOM 1289 CG2 ILE A 80 -11.903 -5.812 -11.556 1.00 0.00 C ATOM 1290 CD1 ILE A 80 -8.884 -7.068 -9.688 1.00 0.00 C ATOM 0 H ILE A 80 -9.896 -5.326 -8.009 1.00 0.00 H new ATOM 0 HA ILE A 80 -11.101 -3.733 -10.155 1.00 0.00 H new ATOM 0 HB ILE A 80 -11.410 -6.716 -9.688 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -9.530 -6.556 -11.655 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.057 -5.184 -10.672 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -11.795 -6.738 -12.121 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -12.949 -5.674 -11.282 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -11.574 -4.973 -12.169 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -7.848 -7.201 -10.001 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -8.908 -6.641 -8.685 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -9.389 -8.034 -9.683 1.00 0.00 H new ATOM 1302 N LYS A 81 -13.512 -3.882 -9.454 1.00 0.00 N ATOM 1303 CA LYS A 81 -14.868 -3.782 -8.926 1.00 0.00 C ATOM 1304 C LYS A 81 -14.858 -3.246 -7.498 1.00 0.00 C ATOM 1305 O LYS A 81 -15.511 -3.797 -6.614 1.00 0.00 O ATOM 1306 CB LYS A 81 -15.554 -5.150 -8.964 1.00 0.00 C ATOM 1307 CG LYS A 81 -15.638 -5.750 -10.356 1.00 0.00 C ATOM 1308 CD LYS A 81 -16.858 -6.643 -10.506 1.00 0.00 C ATOM 1309 CE LYS A 81 -16.687 -7.633 -11.648 1.00 0.00 C ATOM 1310 NZ LYS A 81 -17.998 -8.124 -12.157 1.00 0.00 N ATOM 0 H LYS A 81 -13.367 -3.394 -10.338 1.00 0.00 H new ATOM 0 HA LYS A 81 -15.425 -3.085 -9.553 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -15.012 -5.837 -8.314 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -16.561 -5.054 -8.558 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -15.678 -4.951 -11.096 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -14.736 -6.327 -10.559 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -17.030 -7.185 -9.576 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -17.740 -6.028 -10.685 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -16.136 -7.159 -12.460 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -16.089 -8.479 -11.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -17.839 -8.796 -12.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -18.513 -8.599 -11.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -18.559 -7.320 -12.504 1.00 0.00 H new ATOM 1324 N ALA A 82 -14.113 -2.166 -7.282 1.00 0.00 N ATOM 1325 CA ALA A 82 -14.022 -1.554 -5.962 1.00 0.00 C ATOM 1326 C ALA A 82 -15.407 -1.272 -5.391 1.00 0.00 C ATOM 1327 O ALA A 82 -16.114 -0.379 -5.859 1.00 0.00 O ATOM 1328 CB ALA A 82 -13.206 -0.271 -6.031 1.00 0.00 C ATOM 0 H ALA A 82 -13.565 -1.698 -8.003 1.00 0.00 H new ATOM 0 HA ALA A 82 -13.520 -2.256 -5.297 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -13.146 0.176 -5.039 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -12.201 -0.497 -6.388 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -13.685 0.429 -6.716 1.00 0.00 H new ATOM 1334 N LYS A 83 -15.791 -2.039 -4.376 1.00 0.00 N ATOM 1335 CA LYS A 83 -17.091 -1.872 -3.739 1.00 0.00 C ATOM 1336 C LYS A 83 -17.012 -0.866 -2.594 1.00 0.00 C ATOM 1337 O LYS A 83 -15.923 -0.467 -2.181 1.00 0.00 O ATOM 1338 CB LYS A 83 -17.602 -3.216 -3.216 1.00 0.00 C ATOM 1339 CG LYS A 83 -17.229 -4.394 -4.099 1.00 0.00 C ATOM 1340 CD LYS A 83 -17.414 -5.716 -3.374 1.00 0.00 C ATOM 1341 CE LYS A 83 -16.723 -6.856 -4.106 1.00 0.00 C ATOM 1342 NZ LYS A 83 -17.161 -8.186 -3.601 1.00 0.00 N ATOM 0 H LYS A 83 -15.219 -2.783 -3.977 1.00 0.00 H new ATOM 0 HA LYS A 83 -17.787 -1.491 -4.486 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -17.203 -3.382 -2.215 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -18.687 -3.171 -3.123 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -17.843 -4.383 -5.000 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -16.192 -4.296 -4.419 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -17.014 -5.636 -2.363 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -18.478 -5.935 -3.280 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -16.936 -6.785 -5.173 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -15.643 -6.761 -3.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -16.360 -8.849 -3.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -17.498 -8.092 -2.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -17.931 -8.548 -4.199 1.00 0.00 H new ATOM 1356 N ASP A 84 -18.171 -0.462 -2.086 1.00 0.00 N ATOM 1357 CA ASP A 84 -18.232 0.494 -0.988 1.00 0.00 C ATOM 1358 C ASP A 84 -17.446 -0.011 0.218 1.00 0.00 C ATOM 1359 O ASP A 84 -17.068 0.765 1.095 1.00 0.00 O ATOM 1360 CB ASP A 84 -19.686 0.756 -0.591 1.00 0.00 C ATOM 1361 CG ASP A 84 -19.836 1.071 0.884 1.00 0.00 C ATOM 1362 OD1 ASP A 84 -19.258 2.081 1.336 1.00 0.00 O ATOM 1363 OD2 ASP A 84 -20.531 0.308 1.587 1.00 0.00 O ATOM 0 H ASP A 84 -19.081 -0.782 -2.418 1.00 0.00 H new ATOM 0 HA ASP A 84 -17.782 1.427 -1.327 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -20.076 1.587 -1.178 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -20.290 -0.118 -0.836 1.00 0.00 H new ATOM 1368 N ASN A 85 -17.204 -1.317 0.254 1.00 0.00 N ATOM 1369 CA ASN A 85 -16.464 -1.927 1.353 1.00 0.00 C ATOM 1370 C ASN A 85 -14.972 -1.630 1.236 1.00 0.00 C ATOM 1371 O ASN A 85 -14.224 -1.763 2.204 1.00 0.00 O ATOM 1372 CB ASN A 85 -16.694 -3.440 1.373 1.00 0.00 C ATOM 1373 CG ASN A 85 -18.145 -3.807 1.130 1.00 0.00 C ATOM 1374 OD1 ASN A 85 -19.050 -3.015 1.393 1.00 0.00 O ATOM 1375 ND2 ASN A 85 -18.373 -5.014 0.624 1.00 0.00 N ATOM 0 H ASN A 85 -17.509 -1.973 -0.465 1.00 0.00 H new ATOM 0 HA ASN A 85 -16.830 -1.498 2.286 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -16.071 -3.910 0.612 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -16.377 -3.840 2.336 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -19.329 -5.317 0.438 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -17.592 -5.638 0.421 1.00 0.00 H new ATOM 1382 N PHE A 86 -14.547 -1.227 0.043 1.00 0.00 N ATOM 1383 CA PHE A 86 -13.145 -0.911 -0.202 1.00 0.00 C ATOM 1384 C PHE A 86 -12.810 0.494 0.291 1.00 0.00 C ATOM 1385 O PHE A 86 -11.643 0.883 0.344 1.00 0.00 O ATOM 1386 CB PHE A 86 -12.826 -1.030 -1.694 1.00 0.00 C ATOM 1387 CG PHE A 86 -12.890 -2.439 -2.210 1.00 0.00 C ATOM 1388 CD1 PHE A 86 -14.070 -3.162 -2.144 1.00 0.00 C ATOM 1389 CD2 PHE A 86 -11.770 -3.040 -2.761 1.00 0.00 C ATOM 1390 CE1 PHE A 86 -14.131 -4.459 -2.617 1.00 0.00 C ATOM 1391 CE2 PHE A 86 -11.826 -4.337 -3.237 1.00 0.00 C ATOM 1392 CZ PHE A 86 -13.008 -5.047 -3.166 1.00 0.00 C ATOM 0 H PHE A 86 -15.154 -1.112 -0.769 1.00 0.00 H new ATOM 0 HA PHE A 86 -12.535 -1.626 0.351 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -13.526 -0.413 -2.257 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -11.829 -0.629 -1.877 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -14.952 -2.707 -1.718 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -10.843 -2.489 -2.819 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -15.056 -5.013 -2.557 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -10.946 -4.794 -3.664 1.00 0.00 H new ATOM 0 HZ PHE A 86 -13.054 -6.060 -3.539 1.00 0.00 H new ATOM 1402 N ALA A 87 -13.841 1.250 0.650 1.00 0.00 N ATOM 1403 CA ALA A 87 -13.658 2.611 1.139 1.00 0.00 C ATOM 1404 C ALA A 87 -13.393 2.623 2.641 1.00 0.00 C ATOM 1405 O ALA A 87 -14.204 2.137 3.428 1.00 0.00 O ATOM 1406 CB ALA A 87 -14.877 3.460 0.810 1.00 0.00 C ATOM 0 H ALA A 87 -14.813 0.943 0.612 1.00 0.00 H new ATOM 0 HA ALA A 87 -12.788 3.036 0.639 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -14.726 4.474 1.181 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -15.021 3.487 -0.270 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -15.759 3.028 1.283 1.00 0.00 H new ATOM 1412 N GLY A 88 -12.250 3.180 3.031 1.00 0.00 N ATOM 1413 CA GLY A 88 -11.899 3.244 4.438 1.00 0.00 C ATOM 1414 C GLY A 88 -10.441 3.598 4.656 1.00 0.00 C ATOM 1415 O GLY A 88 -9.888 4.440 3.950 1.00 0.00 O ATOM 0 H GLY A 88 -11.562 3.588 2.398 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -12.527 3.984 4.933 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -12.110 2.283 4.906 1.00 0.00 H new ATOM 1419 N ASN A 89 -9.818 2.955 5.637 1.00 0.00 N ATOM 1420 CA ASN A 89 -8.415 3.208 5.948 1.00 0.00 C ATOM 1421 C ASN A 89 -7.536 2.058 5.468 1.00 0.00 C ATOM 1422 O ASN A 89 -7.847 0.889 5.694 1.00 0.00 O ATOM 1423 CB ASN A 89 -8.233 3.411 7.454 1.00 0.00 C ATOM 1424 CG ASN A 89 -6.788 3.672 7.831 1.00 0.00 C ATOM 1425 OD1 ASN A 89 -6.221 2.981 8.678 1.00 0.00 O ATOM 1426 ND2 ASN A 89 -6.185 4.675 7.203 1.00 0.00 N ATOM 0 H ASN A 89 -10.262 2.255 6.231 1.00 0.00 H new ATOM 0 HA ASN A 89 -8.111 4.116 5.427 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -8.848 4.249 7.782 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -8.590 2.527 7.983 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -5.213 4.899 7.416 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -6.694 5.221 6.508 1.00 0.00 H new ATOM 1433 N TYR A 90 -6.436 2.399 4.805 1.00 0.00 N ATOM 1434 CA TYR A 90 -5.511 1.395 4.292 1.00 0.00 C ATOM 1435 C TYR A 90 -4.176 1.458 5.026 1.00 0.00 C ATOM 1436 O TYR A 90 -3.735 2.529 5.444 1.00 0.00 O ATOM 1437 CB TYR A 90 -5.291 1.595 2.791 1.00 0.00 C ATOM 1438 CG TYR A 90 -6.392 1.012 1.935 1.00 0.00 C ATOM 1439 CD1 TYR A 90 -7.707 1.439 2.074 1.00 0.00 C ATOM 1440 CD2 TYR A 90 -6.118 0.035 0.986 1.00 0.00 C ATOM 1441 CE1 TYR A 90 -8.717 0.909 1.294 1.00 0.00 C ATOM 1442 CE2 TYR A 90 -7.121 -0.500 0.200 1.00 0.00 C ATOM 1443 CZ TYR A 90 -8.419 -0.060 0.358 1.00 0.00 C ATOM 1444 OH TYR A 90 -9.421 -0.589 -0.422 1.00 0.00 O ATOM 0 H TYR A 90 -6.163 3.362 4.610 1.00 0.00 H new ATOM 0 HA TYR A 90 -5.951 0.412 4.461 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -5.207 2.662 2.584 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -4.342 1.140 2.508 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -7.944 2.198 2.804 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -5.103 -0.313 0.860 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -9.734 1.251 1.416 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -6.890 -1.258 -0.534 1.00 0.00 H new ATOM 0 HH TYR A 90 -10.265 -0.131 -0.225 1.00 0.00 H new ATOM 1454 N ARG A 91 -3.537 0.303 5.179 1.00 0.00 N ATOM 1455 CA ARG A 91 -2.251 0.225 5.863 1.00 0.00 C ATOM 1456 C ARG A 91 -1.315 -0.747 5.151 1.00 0.00 C ATOM 1457 O ARG A 91 -1.650 -1.915 4.953 1.00 0.00 O ATOM 1458 CB ARG A 91 -2.449 -0.211 7.316 1.00 0.00 C ATOM 1459 CG ARG A 91 -1.148 -0.361 8.088 1.00 0.00 C ATOM 1460 CD ARG A 91 -1.354 -1.138 9.379 1.00 0.00 C ATOM 1461 NE ARG A 91 -2.146 -0.388 10.350 1.00 0.00 N ATOM 1462 CZ ARG A 91 -1.636 0.531 11.161 1.00 0.00 C ATOM 1463 NH1 ARG A 91 -0.341 0.813 11.119 1.00 0.00 N ATOM 1464 NH2 ARG A 91 -2.421 1.172 12.018 1.00 0.00 N ATOM 0 H ARG A 91 -3.888 -0.592 4.839 1.00 0.00 H new ATOM 0 HA ARG A 91 -1.797 1.216 5.847 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -3.081 0.519 7.823 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -2.983 -1.161 7.332 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -0.412 -0.872 7.467 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -0.743 0.625 8.316 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -1.851 -2.082 9.158 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -0.385 -1.382 9.813 1.00 0.00 H new ATOM 0 HE ARG A 91 -3.146 -0.581 10.408 1.00 0.00 H new ATOM 0 HH11 ARG A 91 0.267 0.323 10.462 1.00 0.00 H new ATOM 0 HH12 ARG A 91 0.048 1.520 11.744 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -3.418 0.959 12.054 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -2.027 1.878 12.640 1.00 0.00 H new ATOM 1478 N CYS A 92 -0.141 -0.257 4.769 1.00 0.00 N ATOM 1479 CA CYS A 92 0.844 -1.081 4.079 1.00 0.00 C ATOM 1480 C CYS A 92 1.974 -1.483 5.021 1.00 0.00 C ATOM 1481 O CYS A 92 2.346 -0.726 5.917 1.00 0.00 O ATOM 1482 CB CYS A 92 1.412 -0.332 2.873 1.00 0.00 C ATOM 1483 SG CYS A 92 1.939 -1.406 1.517 1.00 0.00 S ATOM 0 H CYS A 92 0.152 0.707 4.926 1.00 0.00 H new ATOM 0 HA CYS A 92 0.345 -1.986 3.733 1.00 0.00 H new ATOM 0 HB2 CYS A 92 0.657 0.361 2.501 1.00 0.00 H new ATOM 0 HB3 CYS A 92 2.262 0.267 3.199 1.00 0.00 H new ATOM 0 HG CYS A 92 0.902 -1.766 0.821 1.00 0.00 H new ATOM 1489 N GLU A 93 2.512 -2.681 4.814 1.00 0.00 N ATOM 1490 CA GLU A 93 3.598 -3.184 5.648 1.00 0.00 C ATOM 1491 C GLU A 93 4.728 -3.744 4.790 1.00 0.00 C ATOM 1492 O GLU A 93 4.521 -4.654 3.986 1.00 0.00 O ATOM 1493 CB GLU A 93 3.081 -4.265 6.599 1.00 0.00 C ATOM 1494 CG GLU A 93 2.241 -3.720 7.742 1.00 0.00 C ATOM 1495 CD GLU A 93 1.344 -4.774 8.361 1.00 0.00 C ATOM 1496 OE1 GLU A 93 1.818 -5.912 8.562 1.00 0.00 O ATOM 1497 OE2 GLU A 93 0.168 -4.461 8.644 1.00 0.00 O ATOM 0 H GLU A 93 2.214 -3.320 4.077 1.00 0.00 H new ATOM 0 HA GLU A 93 3.988 -2.351 6.233 1.00 0.00 H new ATOM 0 HB2 GLU A 93 2.487 -4.982 6.032 1.00 0.00 H new ATOM 0 HB3 GLU A 93 3.930 -4.810 7.011 1.00 0.00 H new ATOM 0 HG2 GLU A 93 2.899 -3.312 8.509 1.00 0.00 H new ATOM 0 HG3 GLU A 93 1.628 -2.896 7.377 1.00 0.00 H new ATOM 1504 N VAL A 94 5.926 -3.194 4.966 1.00 0.00 N ATOM 1505 CA VAL A 94 7.090 -3.639 4.209 1.00 0.00 C ATOM 1506 C VAL A 94 8.273 -3.913 5.131 1.00 0.00 C ATOM 1507 O VAL A 94 8.715 -3.033 5.871 1.00 0.00 O ATOM 1508 CB VAL A 94 7.505 -2.595 3.155 1.00 0.00 C ATOM 1509 CG1 VAL A 94 8.842 -2.968 2.532 1.00 0.00 C ATOM 1510 CG2 VAL A 94 6.430 -2.459 2.088 1.00 0.00 C ATOM 0 H VAL A 94 6.115 -2.440 5.626 1.00 0.00 H new ATOM 0 HA VAL A 94 6.806 -4.562 3.704 1.00 0.00 H new ATOM 0 HB VAL A 94 7.618 -1.630 3.649 1.00 0.00 H new ATOM 0 HG11 VAL A 94 9.119 -2.219 1.790 1.00 0.00 H new ATOM 0 HG12 VAL A 94 9.606 -3.010 3.308 1.00 0.00 H new ATOM 0 HG13 VAL A 94 8.760 -3.943 2.051 1.00 0.00 H new ATOM 0 HG21 VAL A 94 6.740 -1.717 1.352 1.00 0.00 H new ATOM 0 HG22 VAL A 94 6.283 -3.420 1.595 1.00 0.00 H new ATOM 0 HG23 VAL A 94 5.496 -2.142 2.551 1.00 0.00 H new ATOM 1520 N THR A 95 8.783 -5.139 5.081 1.00 0.00 N ATOM 1521 CA THR A 95 9.915 -5.531 5.912 1.00 0.00 C ATOM 1522 C THR A 95 11.139 -5.844 5.060 1.00 0.00 C ATOM 1523 O THR A 95 11.022 -6.394 3.964 1.00 0.00 O ATOM 1524 CB THR A 95 9.578 -6.759 6.778 1.00 0.00 C ATOM 1525 OG1 THR A 95 8.193 -6.736 7.144 1.00 0.00 O ATOM 1526 CG2 THR A 95 10.438 -6.790 8.032 1.00 0.00 C ATOM 0 H THR A 95 8.430 -5.878 4.473 1.00 0.00 H new ATOM 0 HA THR A 95 10.136 -4.686 6.564 1.00 0.00 H new ATOM 0 HB THR A 95 9.784 -7.655 6.193 1.00 0.00 H new ATOM 0 HG1 THR A 95 7.987 -7.521 7.693 1.00 0.00 H new ATOM 0 HG21 THR A 95 10.182 -7.666 8.627 1.00 0.00 H new ATOM 0 HG22 THR A 95 11.490 -6.838 7.751 1.00 0.00 H new ATOM 0 HG23 THR A 95 10.260 -5.888 8.618 1.00 0.00 H new ATOM 1534 N TYR A 96 12.314 -5.492 5.570 1.00 0.00 N ATOM 1535 CA TYR A 96 13.562 -5.735 4.854 1.00 0.00 C ATOM 1536 C TYR A 96 14.651 -6.218 5.807 1.00 0.00 C ATOM 1537 O TYR A 96 14.433 -6.330 7.013 1.00 0.00 O ATOM 1538 CB TYR A 96 14.020 -4.462 4.141 1.00 0.00 C ATOM 1539 CG TYR A 96 15.056 -4.710 3.067 1.00 0.00 C ATOM 1540 CD1 TYR A 96 14.872 -5.702 2.113 1.00 0.00 C ATOM 1541 CD2 TYR A 96 16.218 -3.950 3.007 1.00 0.00 C ATOM 1542 CE1 TYR A 96 15.816 -5.932 1.131 1.00 0.00 C ATOM 1543 CE2 TYR A 96 17.167 -4.172 2.028 1.00 0.00 C ATOM 1544 CZ TYR A 96 16.962 -5.164 1.092 1.00 0.00 C ATOM 1545 OH TYR A 96 17.904 -5.389 0.115 1.00 0.00 O ATOM 0 H TYR A 96 12.429 -5.038 6.476 1.00 0.00 H new ATOM 0 HA TYR A 96 13.382 -6.514 4.113 1.00 0.00 H new ATOM 0 HB2 TYR A 96 13.154 -3.974 3.693 1.00 0.00 H new ATOM 0 HB3 TYR A 96 14.430 -3.770 4.877 1.00 0.00 H new ATOM 0 HD1 TYR A 96 13.976 -6.304 2.139 1.00 0.00 H new ATOM 0 HD2 TYR A 96 16.382 -3.172 3.738 1.00 0.00 H new ATOM 0 HE1 TYR A 96 15.658 -6.709 0.398 1.00 0.00 H new ATOM 0 HE2 TYR A 96 18.064 -3.572 1.996 1.00 0.00 H new ATOM 0 HH TYR A 96 17.464 -5.728 -0.692 1.00 0.00 H new ATOM 1611 N PHE A 100 12.376 -1.323 8.010 1.00 0.00 N ATOM 1612 CA PHE A 100 10.943 -1.515 7.820 1.00 0.00 C ATOM 1613 C PHE A 100 10.219 -0.173 7.754 1.00 0.00 C ATOM 1614 O PHE A 100 10.654 0.809 8.355 1.00 0.00 O ATOM 1615 CB PHE A 100 10.366 -2.363 8.955 1.00 0.00 C ATOM 1616 CG PHE A 100 8.876 -2.238 9.099 1.00 0.00 C ATOM 1617 CD1 PHE A 100 8.323 -1.224 9.864 1.00 0.00 C ATOM 1618 CD2 PHE A 100 8.028 -3.135 8.469 1.00 0.00 C ATOM 1619 CE1 PHE A 100 6.953 -1.107 9.999 1.00 0.00 C ATOM 1620 CE2 PHE A 100 6.657 -3.023 8.600 1.00 0.00 C ATOM 1621 CZ PHE A 100 6.118 -2.007 9.365 1.00 0.00 C ATOM 0 HA PHE A 100 10.793 -2.036 6.874 1.00 0.00 H new ATOM 0 HB2 PHE A 100 10.620 -3.409 8.782 1.00 0.00 H new ATOM 0 HB3 PHE A 100 10.839 -2.071 9.893 1.00 0.00 H new ATOM 0 HD1 PHE A 100 8.970 -0.517 10.361 1.00 0.00 H new ATOM 0 HD2 PHE A 100 8.444 -3.931 7.869 1.00 0.00 H new ATOM 0 HE1 PHE A 100 6.535 -0.313 10.600 1.00 0.00 H new ATOM 0 HE2 PHE A 100 6.007 -3.729 8.105 1.00 0.00 H new ATOM 0 HZ PHE A 100 5.047 -1.916 9.467 1.00 0.00 H new ATOM 1631 N ASP A 101 9.113 -0.141 7.019 1.00 0.00 N ATOM 1632 CA ASP A 101 8.327 1.079 6.874 1.00 0.00 C ATOM 1633 C ASP A 101 6.881 0.754 6.514 1.00 0.00 C ATOM 1634 O ASP A 101 6.613 -0.189 5.769 1.00 0.00 O ATOM 1635 CB ASP A 101 8.942 1.983 5.804 1.00 0.00 C ATOM 1636 CG ASP A 101 8.346 3.377 5.811 1.00 0.00 C ATOM 1637 OD1 ASP A 101 7.118 3.498 5.621 1.00 0.00 O ATOM 1638 OD2 ASP A 101 9.108 4.347 6.007 1.00 0.00 O ATOM 0 H ASP A 101 8.740 -0.945 6.514 1.00 0.00 H new ATOM 0 HA ASP A 101 8.335 1.603 7.830 1.00 0.00 H new ATOM 0 HB2 ASP A 101 10.018 2.050 5.964 1.00 0.00 H new ATOM 0 HB3 ASP A 101 8.793 1.532 4.823 1.00 0.00 H new ATOM 1643 N SER A 102 5.952 1.541 7.048 1.00 0.00 N ATOM 1644 CA SER A 102 4.532 1.334 6.786 1.00 0.00 C ATOM 1645 C SER A 102 3.832 2.661 6.511 1.00 0.00 C ATOM 1646 O SER A 102 3.892 3.588 7.320 1.00 0.00 O ATOM 1647 CB SER A 102 3.871 0.632 7.974 1.00 0.00 C ATOM 1648 OG SER A 102 3.940 1.431 9.142 1.00 0.00 O ATOM 0 H SER A 102 6.157 2.327 7.664 1.00 0.00 H new ATOM 0 HA SER A 102 4.438 0.704 5.902 1.00 0.00 H new ATOM 0 HB2 SER A 102 2.829 0.416 7.739 1.00 0.00 H new ATOM 0 HB3 SER A 102 4.362 -0.324 8.154 1.00 0.00 H new ATOM 0 HG SER A 102 3.866 2.377 8.896 1.00 0.00 H new ATOM 1654 N CYS A 103 3.167 2.745 5.364 1.00 0.00 N ATOM 1655 CA CYS A 103 2.455 3.958 4.979 1.00 0.00 C ATOM 1656 C CYS A 103 0.946 3.757 5.076 1.00 0.00 C ATOM 1657 O CYS A 103 0.420 2.724 4.663 1.00 0.00 O ATOM 1658 CB CYS A 103 2.836 4.369 3.556 1.00 0.00 C ATOM 1659 SG CYS A 103 1.984 5.849 2.962 1.00 0.00 S ATOM 0 H CYS A 103 3.106 1.987 4.684 1.00 0.00 H new ATOM 0 HA CYS A 103 2.743 4.752 5.668 1.00 0.00 H new ATOM 0 HB2 CYS A 103 3.912 4.541 3.515 1.00 0.00 H new ATOM 0 HB3 CYS A 103 2.619 3.542 2.880 1.00 0.00 H new ATOM 0 HG CYS A 103 1.470 5.613 1.791 1.00 0.00 H new ATOM 1665 N SER A 104 0.256 4.751 5.627 1.00 0.00 N ATOM 1666 CA SER A 104 -1.192 4.680 5.784 1.00 0.00 C ATOM 1667 C SER A 104 -1.887 5.675 4.860 1.00 0.00 C ATOM 1668 O SER A 104 -1.546 6.858 4.832 1.00 0.00 O ATOM 1669 CB SER A 104 -1.583 4.958 7.237 1.00 0.00 C ATOM 1670 OG SER A 104 -1.087 6.213 7.667 1.00 0.00 O ATOM 0 H SER A 104 0.676 5.614 5.972 1.00 0.00 H new ATOM 0 HA SER A 104 -1.513 3.674 5.515 1.00 0.00 H new ATOM 0 HB2 SER A 104 -2.668 4.940 7.335 1.00 0.00 H new ATOM 0 HB3 SER A 104 -1.192 4.169 7.880 1.00 0.00 H new ATOM 0 HG SER A 104 -1.006 6.814 6.897 1.00 0.00 H new ATOM 1676 N PHE A 105 -2.865 5.187 4.104 1.00 0.00 N ATOM 1677 CA PHE A 105 -3.609 6.032 3.177 1.00 0.00 C ATOM 1678 C PHE A 105 -5.112 5.827 3.341 1.00 0.00 C ATOM 1679 O PHE A 105 -5.553 4.881 3.994 1.00 0.00 O ATOM 1680 CB PHE A 105 -3.196 5.729 1.735 1.00 0.00 C ATOM 1681 CG PHE A 105 -3.002 4.265 1.461 1.00 0.00 C ATOM 1682 CD1 PHE A 105 -1.896 3.595 1.957 1.00 0.00 C ATOM 1683 CD2 PHE A 105 -3.926 3.559 0.707 1.00 0.00 C ATOM 1684 CE1 PHE A 105 -1.714 2.248 1.707 1.00 0.00 C ATOM 1685 CE2 PHE A 105 -3.751 2.212 0.455 1.00 0.00 C ATOM 1686 CZ PHE A 105 -2.643 1.556 0.954 1.00 0.00 C ATOM 0 H PHE A 105 -3.161 4.211 4.115 1.00 0.00 H new ATOM 0 HA PHE A 105 -3.375 7.072 3.404 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -3.956 6.119 1.058 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -2.269 6.258 1.512 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -1.167 4.132 2.546 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -4.793 4.068 0.312 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -0.847 1.737 2.100 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -4.480 1.673 -0.132 1.00 0.00 H new ATOM 0 HZ PHE A 105 -2.503 0.504 0.756 1.00 0.00 H new ATOM 1696 N ASP A 106 -5.894 6.721 2.744 1.00 0.00 N ATOM 1697 CA ASP A 106 -7.347 6.639 2.823 1.00 0.00 C ATOM 1698 C ASP A 106 -7.959 6.481 1.435 1.00 0.00 C ATOM 1699 O ASP A 106 -7.739 7.309 0.550 1.00 0.00 O ATOM 1700 CB ASP A 106 -7.913 7.886 3.504 1.00 0.00 C ATOM 1701 CG ASP A 106 -7.433 9.169 2.855 1.00 0.00 C ATOM 1702 OD1 ASP A 106 -7.819 9.429 1.696 1.00 0.00 O ATOM 1703 OD2 ASP A 106 -6.670 9.913 3.506 1.00 0.00 O ATOM 0 H ASP A 106 -5.545 7.510 2.200 1.00 0.00 H new ATOM 0 HA ASP A 106 -7.605 5.762 3.416 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -9.002 7.851 3.472 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -7.625 7.884 4.555 1.00 0.00 H new ATOM 1708 N LEU A 107 -8.726 5.412 1.250 1.00 0.00 N ATOM 1709 CA LEU A 107 -9.369 5.144 -0.031 1.00 0.00 C ATOM 1710 C LEU A 107 -10.855 5.485 0.023 1.00 0.00 C ATOM 1711 O LEU A 107 -11.566 5.060 0.932 1.00 0.00 O ATOM 1712 CB LEU A 107 -9.186 3.676 -0.419 1.00 0.00 C ATOM 1713 CG LEU A 107 -9.523 3.316 -1.867 1.00 0.00 C ATOM 1714 CD1 LEU A 107 -11.028 3.199 -2.051 1.00 0.00 C ATOM 1715 CD2 LEU A 107 -8.947 4.352 -2.821 1.00 0.00 C ATOM 0 H LEU A 107 -8.918 4.717 1.971 1.00 0.00 H new ATOM 0 HA LEU A 107 -8.897 5.775 -0.785 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -8.150 3.397 -0.228 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -9.806 3.067 0.239 1.00 0.00 H new ATOM 0 HG LEU A 107 -9.073 2.350 -2.096 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -11.249 2.942 -3.087 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -11.415 2.421 -1.394 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -11.500 4.150 -1.804 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -9.196 4.080 -3.847 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -9.368 5.331 -2.592 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -7.863 4.388 -2.708 1.00 0.00 H new ATOM 1727 N GLU A 108 -11.316 6.254 -0.959 1.00 0.00 N ATOM 1728 CA GLU A 108 -12.718 6.651 -1.022 1.00 0.00 C ATOM 1729 C GLU A 108 -13.441 5.918 -2.148 1.00 0.00 C ATOM 1730 O GLU A 108 -12.850 5.613 -3.185 1.00 0.00 O ATOM 1731 CB GLU A 108 -12.834 8.163 -1.227 1.00 0.00 C ATOM 1732 CG GLU A 108 -12.747 8.961 0.063 1.00 0.00 C ATOM 1733 CD GLU A 108 -12.840 10.457 -0.168 1.00 0.00 C ATOM 1734 OE1 GLU A 108 -11.968 11.004 -0.875 1.00 0.00 O ATOM 1735 OE2 GLU A 108 -13.786 11.080 0.358 1.00 0.00 O ATOM 0 H GLU A 108 -10.740 6.614 -1.720 1.00 0.00 H new ATOM 0 HA GLU A 108 -13.188 6.382 -0.076 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -12.043 8.491 -1.901 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -13.782 8.383 -1.717 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -13.549 8.650 0.733 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -11.806 8.732 0.564 1.00 0.00 H new ATOM 1742 N VAL A 109 -14.722 5.636 -1.937 1.00 0.00 N ATOM 1743 CA VAL A 109 -15.527 4.939 -2.933 1.00 0.00 C ATOM 1744 C VAL A 109 -16.820 5.693 -3.221 1.00 0.00 C ATOM 1745 O VAL A 109 -17.659 5.869 -2.337 1.00 0.00 O ATOM 1746 CB VAL A 109 -15.870 3.509 -2.476 1.00 0.00 C ATOM 1747 CG1 VAL A 109 -16.596 2.755 -3.580 1.00 0.00 C ATOM 1748 CG2 VAL A 109 -14.610 2.768 -2.053 1.00 0.00 C ATOM 0 H VAL A 109 -15.226 5.880 -1.084 1.00 0.00 H new ATOM 0 HA VAL A 109 -14.930 4.888 -3.843 1.00 0.00 H new ATOM 0 HB VAL A 109 -16.534 3.571 -1.614 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -16.830 1.747 -3.239 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -17.520 3.277 -3.830 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -15.959 2.700 -4.463 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -14.871 1.759 -1.733 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -13.920 2.714 -2.895 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -14.135 3.299 -1.228 1.00 0.00 H new ATOM 1758 N HIS A 110 -16.976 6.136 -4.464 1.00 0.00 N ATOM 1759 CA HIS A 110 -18.169 6.871 -4.870 1.00 0.00 C ATOM 1760 C HIS A 110 -19.114 5.976 -5.666 1.00 0.00 C ATOM 1761 O HIS A 110 -18.674 5.119 -6.431 1.00 0.00 O ATOM 1762 CB HIS A 110 -17.782 8.093 -5.704 1.00 0.00 C ATOM 1763 CG HIS A 110 -17.058 9.146 -4.923 1.00 0.00 C ATOM 1764 ND1 HIS A 110 -16.944 10.453 -5.348 1.00 0.00 N ATOM 1765 CD2 HIS A 110 -16.411 9.080 -3.736 1.00 0.00 C ATOM 1766 CE1 HIS A 110 -16.256 11.145 -4.457 1.00 0.00 C ATOM 1767 NE2 HIS A 110 -15.922 10.335 -3.469 1.00 0.00 N ATOM 0 H HIS A 110 -16.292 5.999 -5.208 1.00 0.00 H new ATOM 0 HA HIS A 110 -18.685 7.204 -3.969 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -17.153 7.772 -6.534 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -18.683 8.528 -6.136 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -16.300 8.204 -3.115 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -16.009 12.194 -4.525 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -15.387 10.599 -2.641 1.00 0.00 H new ATOM 1776 N GLU A 111 -20.414 6.181 -5.478 1.00 0.00 N ATOM 1777 CA GLU A 111 -21.420 5.391 -6.178 1.00 0.00 C ATOM 1778 C GLU A 111 -21.390 5.676 -7.677 1.00 0.00 C ATOM 1779 O GLU A 111 -21.500 6.825 -8.103 1.00 0.00 O ATOM 1780 CB GLU A 111 -22.813 5.688 -5.619 1.00 0.00 C ATOM 1781 CG GLU A 111 -22.951 5.387 -4.136 1.00 0.00 C ATOM 1782 CD GLU A 111 -24.359 4.979 -3.752 1.00 0.00 C ATOM 1783 OE1 GLU A 111 -25.009 4.266 -4.545 1.00 0.00 O ATOM 1784 OE2 GLU A 111 -24.812 5.372 -2.656 1.00 0.00 O ATOM 0 H GLU A 111 -20.795 6.887 -4.848 1.00 0.00 H new ATOM 0 HA GLU A 111 -21.191 4.337 -6.022 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -23.048 6.738 -5.791 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -23.549 5.102 -6.170 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -22.259 4.589 -3.865 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -22.663 6.268 -3.562 1.00 0.00 H new ATOM 1791 N SER A 112 -21.240 4.620 -8.471 1.00 0.00 N ATOM 1792 CA SER A 112 -21.190 4.756 -9.922 1.00 0.00 C ATOM 1793 C SER A 112 -22.557 5.146 -10.478 1.00 0.00 C ATOM 1794 O SER A 112 -22.690 6.143 -11.188 1.00 0.00 O ATOM 1795 CB SER A 112 -20.721 3.449 -10.562 1.00 0.00 C ATOM 1796 OG SER A 112 -20.818 3.509 -11.975 1.00 0.00 O ATOM 0 H SER A 112 -21.151 3.661 -8.134 1.00 0.00 H new ATOM 0 HA SER A 112 -20.479 5.546 -10.164 1.00 0.00 H new ATOM 0 HB2 SER A 112 -19.689 3.249 -10.273 1.00 0.00 H new ATOM 0 HB3 SER A 112 -21.323 2.621 -10.188 1.00 0.00 H new ATOM 0 HG SER A 112 -20.511 2.662 -12.360 1.00 0.00 H new