USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 565 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 21 GLN : amide:sc= -1.18 K(o=-1,f=-3.8) USER MOD Set 1.2: A 22 LYS NZ :NH3+ -177:sc= 0.159 (180deg=0) USER MOD Set 2.1: A 18 GLN : amide:sc= -5.29! C(o=-5.7!,f=-15!) USER MOD Set 2.2: A 19 SER OG : rot 95:sc= -0.373 USER MOD Single : A 7 SER OG : rot -158:sc= -0.778 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl -148:sc= -2.69! (180deg=-3.36) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 34:sc= 0.785 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot -18:sc= 1.14 USER MOD Single : A 34 SER OG : rot -117:sc= -0.54 USER MOD Single : A 35 ASN : amide:sc= -0.0181 X(o=-0.018,f=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.0194 X(o=-0.019,f=-0.0051) USER MOD Single : A 49 ASN :FLIP amide:sc= -0.0831 F(o=-0.62,f=-0.083) USER MOD Single : A 50 SER OG : rot -32:sc= -1.81 USER MOD Single : A 53 HIS : no HD1:sc= -0.398 X(o=-0.4,f=-0.12) USER MOD Single : A 54 ASN : amide:sc= -2.93 K(o=-2.9,f=-3.7) USER MOD Single : A 56 SER OG : rot 22:sc= 0.515! USER MOD Single : A 58 ASN : amide:sc= -0.201 X(o=-0.2,f=-0.15) USER MOD Single : A 60 CYS SG : rot 22:sc= 0.167 USER MOD Single : A 63 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0402) USER MOD Single : A 75 ASN : amide:sc= -5.85! C(o=-5.9!,f=-6.6!) USER MOD Single : A 76 TYR OH : rot 137:sc= 1.07 USER MOD Single : A 78 THR OG1 : rot 150:sc= -1.26 USER MOD ----------------------------------------------------------------- ATOM 105 N SER A 7 1.783 10.170 -6.524 1.00 1.00 N ATOM 106 CA SER A 7 0.479 10.744 -6.239 1.00 1.00 C ATOM 107 C SER A 7 0.590 11.672 -5.028 1.00 1.00 C ATOM 108 O SER A 7 0.555 12.897 -5.219 1.00 1.00 O ATOM 109 CB SER A 7 -0.567 9.658 -5.982 1.00 1.00 C ATOM 110 OG SER A 7 -1.882 10.093 -6.317 1.00 1.00 O ATOM 0 HA SER A 7 0.153 11.312 -7.110 1.00 1.00 H new ATOM 0 HB2 SER A 7 -0.319 8.771 -6.565 1.00 1.00 H new ATOM 0 HB3 SER A 7 -0.538 9.368 -4.932 1.00 1.00 H new ATOM 0 HG SER A 7 -2.539 9.544 -5.841 1.00 1.00 H new ATOM 116 N TYR A 8 0.718 11.082 -3.826 1.00 1.00 N ATOM 117 CA TYR A 8 0.823 11.908 -2.636 1.00 1.00 C ATOM 118 C TYR A 8 1.921 12.953 -2.841 1.00 1.00 C ATOM 119 O TYR A 8 1.875 13.988 -2.159 1.00 1.00 O ATOM 120 CB TYR A 8 1.094 11.027 -1.402 1.00 1.00 C ATOM 121 CG TYR A 8 2.377 10.213 -1.477 1.00 1.00 C ATOM 122 CD1 TYR A 8 2.380 8.936 -2.085 1.00 1.00 C ATOM 123 CD2 TYR A 8 3.575 10.729 -0.931 1.00 1.00 C ATOM 124 CE1 TYR A 8 3.572 8.183 -2.149 1.00 1.00 C ATOM 125 CE2 TYR A 8 4.767 9.976 -0.996 1.00 1.00 C ATOM 126 CZ TYR A 8 4.767 8.703 -1.605 1.00 1.00 C ATOM 127 OH TYR A 8 5.923 7.978 -1.666 1.00 1.00 O ATOM 0 H TYR A 8 0.749 10.075 -3.666 1.00 1.00 H new ATOM 0 HA TYR A 8 -0.117 12.432 -2.462 1.00 1.00 H new ATOM 0 HB2 TYR A 8 1.134 11.664 -0.518 1.00 1.00 H new ATOM 0 HB3 TYR A 8 0.254 10.346 -1.266 1.00 1.00 H new ATOM 0 HD1 TYR A 8 1.467 8.536 -2.502 1.00 1.00 H new ATOM 0 HD2 TYR A 8 3.578 11.702 -0.463 1.00 1.00 H new ATOM 0 HE1 TYR A 8 3.570 7.208 -2.614 1.00 1.00 H new ATOM 0 HE2 TYR A 8 5.680 10.375 -0.579 1.00 1.00 H new ATOM 0 HH TYR A 8 6.649 8.484 -1.246 1.00 1.00 H new ATOM 137 N ILE A 9 2.873 12.669 -3.748 1.00 1.00 N ATOM 138 CA ILE A 9 3.971 13.580 -4.023 1.00 1.00 C ATOM 139 C ILE A 9 3.427 14.841 -4.696 1.00 1.00 C ATOM 140 O ILE A 9 3.983 15.923 -4.458 1.00 1.00 O ATOM 141 CB ILE A 9 5.063 12.874 -4.831 1.00 1.00 C ATOM 142 CG1 ILE A 9 5.511 11.585 -4.138 1.00 1.00 C ATOM 143 CG2 ILE A 9 6.237 13.816 -5.105 1.00 1.00 C ATOM 144 CD1 ILE A 9 6.173 11.888 -2.792 1.00 1.00 C ATOM 0 H ILE A 9 2.894 11.810 -4.298 1.00 1.00 H new ATOM 0 HA ILE A 9 4.446 13.895 -3.094 1.00 1.00 H new ATOM 0 HB ILE A 9 4.645 12.591 -5.797 1.00 1.00 H new ATOM 0 HG12 ILE A 9 4.652 10.932 -3.986 1.00 1.00 H new ATOM 0 HG13 ILE A 9 6.210 11.048 -4.779 1.00 1.00 H new ATOM 0 HG21 ILE A 9 6.999 13.290 -5.680 1.00 1.00 H new ATOM 0 HG22 ILE A 9 5.886 14.679 -5.671 1.00 1.00 H new ATOM 0 HG23 ILE A 9 6.663 14.151 -4.159 1.00 1.00 H new ATOM 0 HD11 ILE A 9 6.482 10.955 -2.320 1.00 1.00 H new ATOM 0 HD12 ILE A 9 7.046 12.521 -2.950 1.00 1.00 H new ATOM 0 HD13 ILE A 9 5.463 12.404 -2.145 1.00 1.00 H new ATOM 156 N ALA A 10 2.368 14.680 -5.509 1.00 1.00 N ATOM 157 CA ALA A 10 1.757 15.798 -6.208 1.00 1.00 C ATOM 158 C ALA A 10 0.350 16.033 -5.654 1.00 1.00 C ATOM 159 O ALA A 10 -0.350 16.914 -6.175 1.00 1.00 O ATOM 160 CB ALA A 10 1.582 15.447 -7.687 1.00 1.00 C ATOM 0 H ALA A 10 1.925 13.780 -5.691 1.00 1.00 H new ATOM 0 HA ALA A 10 2.393 16.674 -6.080 1.00 1.00 H new ATOM 0 HB1 ALA A 10 1.124 16.287 -8.209 1.00 1.00 H new ATOM 0 HB2 ALA A 10 2.556 15.234 -8.128 1.00 1.00 H new ATOM 0 HB3 ALA A 10 0.942 14.570 -7.779 1.00 1.00 H new ATOM 166 N LEU A 11 -0.030 15.254 -4.625 1.00 1.00 N ATOM 167 CA LEU A 11 -1.340 15.377 -4.008 1.00 1.00 C ATOM 168 C LEU A 11 -1.320 16.532 -3.005 1.00 1.00 C ATOM 169 O LEU A 11 -2.289 17.305 -2.976 1.00 1.00 O ATOM 170 CB LEU A 11 -1.773 14.041 -3.400 1.00 1.00 C ATOM 171 CG LEU A 11 -2.937 13.333 -4.097 1.00 1.00 C ATOM 172 CD1 LEU A 11 -2.458 12.594 -5.348 1.00 1.00 C ATOM 173 CD2 LEU A 11 -3.672 12.405 -3.129 1.00 1.00 C ATOM 0 H LEU A 11 0.562 14.534 -4.211 1.00 1.00 H new ATOM 0 HA LEU A 11 -2.093 15.619 -4.758 1.00 1.00 H new ATOM 0 HB2 LEU A 11 -0.914 13.370 -3.398 1.00 1.00 H new ATOM 0 HB3 LEU A 11 -2.048 14.210 -2.359 1.00 1.00 H new ATOM 0 HG LEU A 11 -3.652 14.089 -4.423 1.00 1.00 H new ATOM 0 HD11 LEU A 11 -3.304 12.099 -5.825 1.00 1.00 H new ATOM 0 HD12 LEU A 11 -2.015 13.306 -6.044 1.00 1.00 H new ATOM 0 HD13 LEU A 11 -1.713 11.849 -5.068 1.00 1.00 H new ATOM 0 HD21 LEU A 11 -4.495 11.914 -3.649 1.00 1.00 H new ATOM 0 HD22 LEU A 11 -2.981 11.652 -2.751 1.00 1.00 H new ATOM 0 HD23 LEU A 11 -4.066 12.987 -2.295 1.00 1.00 H new ATOM 185 N ILE A 12 -0.235 16.625 -2.215 1.00 1.00 N ATOM 186 CA ILE A 12 -0.094 17.676 -1.222 1.00 1.00 C ATOM 187 C ILE A 12 -0.572 19.002 -1.817 1.00 1.00 C ATOM 188 O ILE A 12 -1.123 19.820 -1.066 1.00 1.00 O ATOM 189 CB ILE A 12 1.340 17.721 -0.690 1.00 1.00 C ATOM 190 CG1 ILE A 12 1.508 16.791 0.513 1.00 1.00 C ATOM 191 CG2 ILE A 12 1.760 19.157 -0.369 1.00 1.00 C ATOM 192 CD1 ILE A 12 1.787 15.356 0.062 1.00 1.00 C ATOM 0 H ILE A 12 0.552 15.978 -2.254 1.00 1.00 H new ATOM 0 HA ILE A 12 -0.724 17.470 -0.357 1.00 1.00 H new ATOM 0 HB ILE A 12 2.007 17.358 -1.472 1.00 1.00 H new ATOM 0 HG12 ILE A 12 2.327 17.145 1.139 1.00 1.00 H new ATOM 0 HG13 ILE A 12 0.606 16.815 1.124 1.00 1.00 H new ATOM 0 HG21 ILE A 12 2.783 19.161 0.007 1.00 1.00 H new ATOM 0 HG22 ILE A 12 1.703 19.763 -1.273 1.00 1.00 H new ATOM 0 HG23 ILE A 12 1.093 19.571 0.388 1.00 1.00 H new ATOM 0 HD11 ILE A 12 1.902 14.716 0.937 1.00 1.00 H new ATOM 0 HD12 ILE A 12 0.955 14.997 -0.544 1.00 1.00 H new ATOM 0 HD13 ILE A 12 2.703 15.332 -0.529 1.00 1.00 H new ATOM 204 N THR A 13 -0.355 19.184 -3.132 1.00 1.00 N ATOM 205 CA THR A 13 -0.761 20.400 -3.817 1.00 1.00 C ATOM 206 C THR A 13 -2.244 20.661 -3.548 1.00 1.00 C ATOM 207 O THR A 13 -2.621 21.834 -3.411 1.00 1.00 O ATOM 208 CB THR A 13 -0.429 20.256 -5.304 1.00 1.00 C ATOM 209 OG1 THR A 13 0.983 20.440 -5.364 1.00 1.00 O ATOM 210 CG2 THR A 13 -0.991 21.406 -6.143 1.00 1.00 C ATOM 0 H THR A 13 0.101 18.497 -3.732 1.00 1.00 H new ATOM 0 HA THR A 13 -0.219 21.270 -3.446 1.00 1.00 H new ATOM 0 HB THR A 13 -0.824 19.310 -5.674 1.00 1.00 H new ATOM 0 HG1 THR A 13 1.284 20.361 -6.293 1.00 1.00 H new ATOM 0 HG21 THR A 13 -0.727 21.255 -7.190 1.00 1.00 H new ATOM 0 HG22 THR A 13 -2.076 21.433 -6.042 1.00 1.00 H new ATOM 0 HG23 THR A 13 -0.571 22.350 -5.795 1.00 1.00 H new ATOM 218 N MET A 14 -3.043 19.581 -3.478 1.00 1.00 N ATOM 219 CA MET A 14 -4.470 19.693 -3.228 1.00 1.00 C ATOM 220 C MET A 14 -4.708 19.866 -1.727 1.00 1.00 C ATOM 221 O MET A 14 -5.533 20.714 -1.354 1.00 1.00 O ATOM 222 CB MET A 14 -5.197 18.440 -3.720 1.00 1.00 C ATOM 223 CG MET A 14 -5.714 18.630 -5.147 1.00 1.00 C ATOM 224 SD MET A 14 -7.318 17.799 -5.343 1.00 1.00 S ATOM 225 CE MET A 14 -6.965 16.229 -4.499 1.00 1.00 C ATOM 0 H MET A 14 -2.712 18.623 -3.593 1.00 1.00 H new ATOM 0 HA MET A 14 -4.858 20.558 -3.767 1.00 1.00 H new ATOM 0 HB2 MET A 14 -4.521 17.586 -3.685 1.00 1.00 H new ATOM 0 HB3 MET A 14 -6.030 18.214 -3.055 1.00 1.00 H new ATOM 0 HG2 MET A 14 -5.816 19.693 -5.367 1.00 1.00 H new ATOM 0 HG3 MET A 14 -4.996 18.225 -5.860 1.00 1.00 H new ATOM 0 HE1 MET A 14 -7.536 15.428 -4.968 1.00 1.00 H new ATOM 0 HE2 MET A 14 -5.900 16.007 -4.573 1.00 1.00 H new ATOM 0 HE3 MET A 14 -7.246 16.309 -3.449 1.00 1.00 H new ATOM 235 N ALA A 15 -3.993 19.073 -0.908 1.00 1.00 N ATOM 236 CA ALA A 15 -4.127 19.139 0.537 1.00 1.00 C ATOM 237 C ALA A 15 -3.825 20.563 1.008 1.00 1.00 C ATOM 238 O ALA A 15 -4.367 20.968 2.048 1.00 1.00 O ATOM 239 CB ALA A 15 -3.077 18.239 1.192 1.00 1.00 C ATOM 0 H ALA A 15 -3.318 18.381 -1.235 1.00 1.00 H new ATOM 0 HA ALA A 15 -5.138 18.831 0.805 1.00 1.00 H new ATOM 0 HB1 ALA A 15 -3.179 18.290 2.276 1.00 1.00 H new ATOM 0 HB2 ALA A 15 -3.222 17.210 0.862 1.00 1.00 H new ATOM 0 HB3 ALA A 15 -2.080 18.575 0.905 1.00 1.00 H new ATOM 245 N ILE A 16 -2.980 21.283 0.248 1.00 1.00 N ATOM 246 CA ILE A 16 -2.613 22.647 0.586 1.00 1.00 C ATOM 247 C ILE A 16 -3.663 23.608 0.025 1.00 1.00 C ATOM 248 O ILE A 16 -4.160 24.450 0.788 1.00 1.00 O ATOM 249 CB ILE A 16 -1.189 22.951 0.116 1.00 1.00 C ATOM 250 CG1 ILE A 16 -0.175 22.043 0.816 1.00 1.00 C ATOM 251 CG2 ILE A 16 -0.854 24.432 0.300 1.00 1.00 C ATOM 252 CD1 ILE A 16 -0.101 22.354 2.312 1.00 1.00 C ATOM 0 H ILE A 16 -2.544 20.931 -0.604 1.00 1.00 H new ATOM 0 HA ILE A 16 -2.603 22.781 1.668 1.00 1.00 H new ATOM 0 HB ILE A 16 -1.130 22.738 -0.951 1.00 1.00 H new ATOM 0 HG12 ILE A 16 -0.455 21.000 0.671 1.00 1.00 H new ATOM 0 HG13 ILE A 16 0.808 22.174 0.365 1.00 1.00 H new ATOM 0 HG21 ILE A 16 0.164 24.620 -0.042 1.00 1.00 H new ATOM 0 HG22 ILE A 16 -1.550 25.037 -0.281 1.00 1.00 H new ATOM 0 HG23 ILE A 16 -0.937 24.696 1.354 1.00 1.00 H new ATOM 0 HD11 ILE A 16 0.627 21.695 2.785 1.00 1.00 H new ATOM 0 HD12 ILE A 16 0.203 23.391 2.453 1.00 1.00 H new ATOM 0 HD13 ILE A 16 -1.080 22.198 2.765 1.00 1.00 H new ATOM 264 N LEU A 17 -3.976 23.466 -1.275 1.00 1.00 N ATOM 265 CA LEU A 17 -4.957 24.315 -1.929 1.00 1.00 C ATOM 266 C LEU A 17 -6.326 24.097 -1.280 1.00 1.00 C ATOM 267 O LEU A 17 -7.039 25.087 -1.061 1.00 1.00 O ATOM 268 CB LEU A 17 -4.948 24.079 -3.440 1.00 1.00 C ATOM 269 CG LEU A 17 -5.957 23.055 -3.965 1.00 1.00 C ATOM 270 CD1 LEU A 17 -7.345 23.680 -4.115 1.00 1.00 C ATOM 271 CD2 LEU A 17 -5.468 22.424 -5.270 1.00 1.00 C ATOM 0 H LEU A 17 -3.556 22.765 -1.886 1.00 1.00 H new ATOM 0 HA LEU A 17 -4.703 25.366 -1.793 1.00 1.00 H new ATOM 0 HB2 LEU A 17 -5.134 25.031 -3.938 1.00 1.00 H new ATOM 0 HB3 LEU A 17 -3.948 23.757 -3.732 1.00 1.00 H new ATOM 0 HG LEU A 17 -6.043 22.253 -3.232 1.00 1.00 H new ATOM 0 HD11 LEU A 17 -8.043 22.931 -4.490 1.00 1.00 H new ATOM 0 HD12 LEU A 17 -7.687 24.042 -3.146 1.00 1.00 H new ATOM 0 HD13 LEU A 17 -7.295 24.513 -4.817 1.00 1.00 H new ATOM 0 HD21 LEU A 17 -6.203 21.700 -5.622 1.00 1.00 H new ATOM 0 HD22 LEU A 17 -5.335 23.201 -6.023 1.00 1.00 H new ATOM 0 HD23 LEU A 17 -4.517 21.920 -5.097 1.00 1.00 H new ATOM 283 N GLN A 18 -6.659 22.827 -0.991 1.00 1.00 N ATOM 284 CA GLN A 18 -7.930 22.486 -0.374 1.00 1.00 C ATOM 285 C GLN A 18 -8.176 23.409 0.821 1.00 1.00 C ATOM 286 O GLN A 18 -9.345 23.608 1.182 1.00 1.00 O ATOM 287 CB GLN A 18 -7.972 21.017 0.051 1.00 1.00 C ATOM 288 CG GLN A 18 -7.138 20.786 1.313 1.00 1.00 C ATOM 289 CD GLN A 18 -7.960 21.068 2.572 1.00 1.00 C ATOM 290 OE1 GLN A 18 -7.984 22.170 3.096 1.00 1.00 O ATOM 291 NE2 GLN A 18 -8.630 20.013 3.028 1.00 1.00 N ATOM 0 H GLN A 18 -6.057 22.026 -1.180 1.00 1.00 H new ATOM 0 HA GLN A 18 -8.724 22.627 -1.108 1.00 1.00 H new ATOM 0 HB2 GLN A 18 -9.004 20.717 0.233 1.00 1.00 H new ATOM 0 HB3 GLN A 18 -7.596 20.390 -0.757 1.00 1.00 H new ATOM 0 HG2 GLN A 18 -6.778 19.757 1.332 1.00 1.00 H new ATOM 0 HG3 GLN A 18 -6.259 21.431 1.296 1.00 1.00 H new ATOM 0 HE21 GLN A 18 -8.566 19.119 2.541 1.00 1.00 H new ATOM 0 HE22 GLN A 18 -9.208 20.098 3.864 1.00 1.00 H new ATOM 300 N SER A 19 -7.088 23.945 1.402 1.00 1.00 N ATOM 301 CA SER A 19 -7.185 24.838 2.544 1.00 1.00 C ATOM 302 C SER A 19 -7.837 26.151 2.106 1.00 1.00 C ATOM 303 O SER A 19 -7.234 26.867 1.293 1.00 1.00 O ATOM 304 CB SER A 19 -5.812 25.108 3.163 1.00 1.00 C ATOM 305 OG SER A 19 -5.094 23.904 3.415 1.00 1.00 O ATOM 0 H SER A 19 -6.133 23.767 1.090 1.00 1.00 H new ATOM 0 HA SER A 19 -7.799 24.359 3.306 1.00 1.00 H new ATOM 0 HB2 SER A 19 -5.231 25.743 2.494 1.00 1.00 H new ATOM 0 HB3 SER A 19 -5.937 25.658 4.096 1.00 1.00 H new ATOM 0 HG SER A 19 -4.499 23.714 2.660 1.00 1.00 H new ATOM 311 N PRO A 20 -9.037 26.437 2.643 1.00 1.00 N ATOM 312 CA PRO A 20 -9.788 27.641 2.333 1.00 1.00 C ATOM 313 C PRO A 20 -9.181 28.861 3.028 1.00 1.00 C ATOM 314 O PRO A 20 -9.722 29.964 2.863 1.00 1.00 O ATOM 315 CB PRO A 20 -11.209 27.346 2.786 1.00 1.00 C ATOM 316 CG PRO A 20 -11.104 26.176 3.751 1.00 1.00 C ATOM 317 CD PRO A 20 -9.719 25.569 3.598 1.00 1.00 C ATOM 0 HA PRO A 20 -9.765 27.889 1.272 1.00 1.00 H new ATOM 0 HB2 PRO A 20 -11.652 28.215 3.272 1.00 1.00 H new ATOM 0 HB3 PRO A 20 -11.846 27.096 1.937 1.00 1.00 H new ATOM 0 HG2 PRO A 20 -11.263 26.511 4.776 1.00 1.00 H new ATOM 0 HG3 PRO A 20 -11.872 25.433 3.536 1.00 1.00 H new ATOM 0 HD2 PRO A 20 -9.192 25.539 4.552 1.00 1.00 H new ATOM 0 HD3 PRO A 20 -9.774 24.544 3.232 1.00 1.00 H new ATOM 325 N GLN A 21 -8.086 28.643 3.778 1.00 1.00 N ATOM 326 CA GLN A 21 -7.414 29.717 4.490 1.00 1.00 C ATOM 327 C GLN A 21 -5.900 29.520 4.390 1.00 1.00 C ATOM 328 O GLN A 21 -5.284 30.122 3.499 1.00 1.00 O ATOM 329 CB GLN A 21 -7.863 29.791 5.951 1.00 1.00 C ATOM 330 CG GLN A 21 -8.723 31.031 6.198 1.00 1.00 C ATOM 331 CD GLN A 21 -7.863 32.296 6.239 1.00 1.00 C ATOM 332 OE1 GLN A 21 -7.138 32.554 7.185 1.00 1.00 O ATOM 333 NE2 GLN A 21 -7.984 33.068 5.163 1.00 1.00 N ATOM 0 H GLN A 21 -7.656 27.726 3.900 1.00 1.00 H new ATOM 0 HA GLN A 21 -7.685 30.666 4.027 1.00 1.00 H new ATOM 0 HB2 GLN A 21 -8.428 28.895 6.207 1.00 1.00 H new ATOM 0 HB3 GLN A 21 -6.990 29.814 6.603 1.00 1.00 H new ATOM 0 HG2 GLN A 21 -9.472 31.121 5.411 1.00 1.00 H new ATOM 0 HG3 GLN A 21 -9.262 30.923 7.139 1.00 1.00 H new ATOM 0 HE21 GLN A 21 -8.610 32.793 4.406 1.00 1.00 H new ATOM 0 HE22 GLN A 21 -7.451 33.935 5.095 1.00 1.00 H new ATOM 342 N LYS A 22 -5.340 28.694 5.292 1.00 1.00 N ATOM 343 CA LYS A 22 -3.913 28.422 5.306 1.00 1.00 C ATOM 344 C LYS A 22 -3.579 27.526 6.500 1.00 1.00 C ATOM 345 O LYS A 22 -2.497 27.696 7.081 1.00 1.00 O ATOM 346 CB LYS A 22 -3.118 29.729 5.277 1.00 1.00 C ATOM 347 CG LYS A 22 -3.572 30.671 6.393 1.00 1.00 C ATOM 348 CD LYS A 22 -4.337 31.868 5.825 1.00 1.00 C ATOM 349 CE LYS A 22 -3.962 33.158 6.558 1.00 1.00 C ATOM 350 NZ LYS A 22 -4.814 34.271 6.111 1.00 1.00 N ATOM 0 H LYS A 22 -5.866 28.208 6.018 1.00 1.00 H new ATOM 0 HA LYS A 22 -3.621 27.878 4.408 1.00 1.00 H new ATOM 0 HB2 LYS A 22 -2.055 29.515 5.387 1.00 1.00 H new ATOM 0 HB3 LYS A 22 -3.247 30.216 4.310 1.00 1.00 H new ATOM 0 HG2 LYS A 22 -4.206 30.130 7.095 1.00 1.00 H new ATOM 0 HG3 LYS A 22 -2.705 31.022 6.953 1.00 1.00 H new ATOM 0 HD2 LYS A 22 -4.118 31.973 4.762 1.00 1.00 H new ATOM 0 HD3 LYS A 22 -5.409 31.694 5.914 1.00 1.00 H new ATOM 0 HE2 LYS A 22 -4.072 33.017 7.633 1.00 1.00 H new ATOM 0 HE3 LYS A 22 -2.915 33.397 6.373 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 -4.513 35.149 6.580 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 -4.728 34.382 5.081 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 -5.805 34.070 6.356 1.00 1.00 H new ATOM 364 N LYS A 23 -4.500 26.606 6.839 1.00 1.00 N ATOM 365 CA LYS A 23 -4.305 25.695 7.953 1.00 1.00 C ATOM 366 C LYS A 23 -4.931 24.340 7.615 1.00 1.00 C ATOM 367 O LYS A 23 -6.163 24.273 7.497 1.00 1.00 O ATOM 368 CB LYS A 23 -4.837 26.311 9.249 1.00 1.00 C ATOM 369 CG LYS A 23 -3.930 27.446 9.728 1.00 1.00 C ATOM 370 CD LYS A 23 -4.647 28.324 10.757 1.00 1.00 C ATOM 371 CE LYS A 23 -3.655 28.914 11.760 1.00 1.00 C ATOM 372 NZ LYS A 23 -3.014 30.118 11.205 1.00 1.00 N ATOM 0 H LYS A 23 -5.386 26.483 6.348 1.00 1.00 H new ATOM 0 HA LYS A 23 -3.242 25.523 8.121 1.00 1.00 H new ATOM 0 HB2 LYS A 23 -5.846 26.690 9.088 1.00 1.00 H new ATOM 0 HB3 LYS A 23 -4.904 25.544 10.020 1.00 1.00 H new ATOM 0 HG2 LYS A 23 -3.023 27.031 10.168 1.00 1.00 H new ATOM 0 HG3 LYS A 23 -3.622 28.054 8.877 1.00 1.00 H new ATOM 0 HD2 LYS A 23 -5.177 29.129 10.247 1.00 1.00 H new ATOM 0 HD3 LYS A 23 -5.396 27.734 11.285 1.00 1.00 H new ATOM 0 HE2 LYS A 23 -4.171 29.164 12.687 1.00 1.00 H new ATOM 0 HE3 LYS A 23 -2.896 28.172 12.008 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 -2.344 30.506 11.899 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 -2.505 29.869 10.333 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 -3.741 30.830 10.990 1.00 1.00 H new ATOM 386 N LEU A 24 -4.084 23.306 7.468 1.00 1.00 N ATOM 387 CA LEU A 24 -4.551 21.968 7.146 1.00 1.00 C ATOM 388 C LEU A 24 -4.231 21.027 8.310 1.00 1.00 C ATOM 389 O LEU A 24 -3.078 21.023 8.765 1.00 1.00 O ATOM 390 CB LEU A 24 -3.975 21.507 5.806 1.00 1.00 C ATOM 391 CG LEU A 24 -2.519 21.891 5.534 1.00 1.00 C ATOM 392 CD1 LEU A 24 -1.845 20.871 4.614 1.00 1.00 C ATOM 393 CD2 LEU A 24 -2.422 23.314 4.981 1.00 1.00 C ATOM 0 H LEU A 24 -3.072 23.383 7.570 1.00 1.00 H new ATOM 0 HA LEU A 24 -5.634 21.963 7.019 1.00 1.00 H new ATOM 0 HB2 LEU A 24 -4.060 20.422 5.751 1.00 1.00 H new ATOM 0 HB3 LEU A 24 -4.593 21.916 5.007 1.00 1.00 H new ATOM 0 HG LEU A 24 -1.979 21.876 6.481 1.00 1.00 H new ATOM 0 HD11 LEU A 24 -0.811 21.168 4.437 1.00 1.00 H new ATOM 0 HD12 LEU A 24 -1.865 19.888 5.084 1.00 1.00 H new ATOM 0 HD13 LEU A 24 -2.378 20.829 3.664 1.00 1.00 H new ATOM 0 HD21 LEU A 24 -1.377 23.562 4.796 1.00 1.00 H new ATOM 0 HD22 LEU A 24 -2.981 23.381 4.048 1.00 1.00 H new ATOM 0 HD23 LEU A 24 -2.839 24.015 5.704 1.00 1.00 H new ATOM 405 N THR A 25 -5.241 20.262 8.760 1.00 1.00 N ATOM 406 CA THR A 25 -5.068 19.327 9.859 1.00 1.00 C ATOM 407 C THR A 25 -4.665 17.961 9.302 1.00 1.00 C ATOM 408 O THR A 25 -5.492 17.333 8.625 1.00 1.00 O ATOM 409 CB THR A 25 -6.359 19.292 10.679 1.00 1.00 C ATOM 410 OG1 THR A 25 -7.373 19.011 9.718 1.00 1.00 O ATOM 411 CG2 THR A 25 -6.740 20.668 11.231 1.00 1.00 C ATOM 0 H THR A 25 -6.184 20.281 8.371 1.00 1.00 H new ATOM 0 HA THR A 25 -4.267 19.639 10.529 1.00 1.00 H new ATOM 0 HB THR A 25 -6.246 18.589 11.504 1.00 1.00 H new ATOM 0 HG1 THR A 25 -7.010 18.425 9.021 1.00 1.00 H new ATOM 0 HG21 THR A 25 -7.663 20.587 11.805 1.00 1.00 H new ATOM 0 HG22 THR A 25 -5.942 21.035 11.877 1.00 1.00 H new ATOM 0 HG23 THR A 25 -6.886 21.364 10.405 1.00 1.00 H new ATOM 419 N LEU A 26 -3.423 17.534 9.593 1.00 1.00 N ATOM 420 CA LEU A 26 -2.919 16.254 9.125 1.00 1.00 C ATOM 421 C LEU A 26 -3.990 15.182 9.333 1.00 1.00 C ATOM 422 O LEU A 26 -3.975 14.183 8.599 1.00 1.00 O ATOM 423 CB LEU A 26 -1.582 15.928 9.794 1.00 1.00 C ATOM 424 CG LEU A 26 -1.280 14.442 9.999 1.00 1.00 C ATOM 425 CD1 LEU A 26 -0.438 13.890 8.847 1.00 1.00 C ATOM 426 CD2 LEU A 26 -0.621 14.199 11.358 1.00 1.00 C ATOM 0 H LEU A 26 -2.757 18.067 10.152 1.00 1.00 H new ATOM 0 HA LEU A 26 -2.712 16.293 8.056 1.00 1.00 H new ATOM 0 HB2 LEU A 26 -0.782 16.362 9.193 1.00 1.00 H new ATOM 0 HB3 LEU A 26 -1.554 16.422 10.765 1.00 1.00 H new ATOM 0 HG LEU A 26 -2.224 13.898 9.997 1.00 1.00 H new ATOM 0 HD11 LEU A 26 -0.237 12.832 9.017 1.00 1.00 H new ATOM 0 HD12 LEU A 26 -0.981 14.010 7.909 1.00 1.00 H new ATOM 0 HD13 LEU A 26 0.505 14.434 8.792 1.00 1.00 H new ATOM 0 HD21 LEU A 26 -0.417 13.135 11.478 1.00 1.00 H new ATOM 0 HD22 LEU A 26 0.314 14.756 11.414 1.00 1.00 H new ATOM 0 HD23 LEU A 26 -1.290 14.532 12.152 1.00 1.00 H new ATOM 438 N SER A 27 -4.882 15.405 10.314 1.00 1.00 N ATOM 439 CA SER A 27 -5.948 14.464 10.614 1.00 1.00 C ATOM 440 C SER A 27 -6.902 14.383 9.420 1.00 1.00 C ATOM 441 O SER A 27 -7.242 13.262 9.013 1.00 1.00 O ATOM 442 CB SER A 27 -6.712 14.867 11.877 1.00 1.00 C ATOM 443 OG SER A 27 -5.954 14.627 13.059 1.00 1.00 O ATOM 0 H SER A 27 -4.876 16.234 10.908 1.00 1.00 H new ATOM 0 HA SER A 27 -5.504 13.486 10.798 1.00 1.00 H new ATOM 0 HB2 SER A 27 -6.972 15.924 11.822 1.00 1.00 H new ATOM 0 HB3 SER A 27 -7.648 14.311 11.927 1.00 1.00 H new ATOM 0 HG SER A 27 -6.476 14.899 13.843 1.00 1.00 H new ATOM 449 N GLY A 28 -7.306 15.552 8.892 1.00 1.00 N ATOM 450 CA GLY A 28 -8.211 15.611 7.757 1.00 1.00 C ATOM 451 C GLY A 28 -7.421 15.375 6.468 1.00 1.00 C ATOM 452 O GLY A 28 -8.041 15.035 5.450 1.00 1.00 O ATOM 0 H GLY A 28 -7.013 16.464 9.242 1.00 1.00 H new ATOM 0 HA2 GLY A 28 -8.993 14.859 7.861 1.00 1.00 H new ATOM 0 HA3 GLY A 28 -8.706 16.582 7.722 1.00 1.00 H new ATOM 456 N ILE A 29 -6.090 15.557 6.536 1.00 1.00 N ATOM 457 CA ILE A 29 -5.227 15.365 5.382 1.00 1.00 C ATOM 458 C ILE A 29 -5.048 13.867 5.129 1.00 1.00 C ATOM 459 O ILE A 29 -5.288 13.428 3.994 1.00 1.00 O ATOM 460 CB ILE A 29 -3.909 16.119 5.568 1.00 1.00 C ATOM 461 CG1 ILE A 29 -4.156 17.618 5.750 1.00 1.00 C ATOM 462 CG2 ILE A 29 -2.946 15.833 4.415 1.00 1.00 C ATOM 463 CD1 ILE A 29 -5.109 18.151 4.678 1.00 1.00 C ATOM 0 H ILE A 29 -5.599 15.837 7.385 1.00 1.00 H new ATOM 0 HA ILE A 29 -5.686 15.787 4.488 1.00 1.00 H new ATOM 0 HB ILE A 29 -3.435 15.757 6.480 1.00 1.00 H new ATOM 0 HG12 ILE A 29 -4.575 17.804 6.739 1.00 1.00 H new ATOM 0 HG13 ILE A 29 -3.209 18.155 5.699 1.00 1.00 H new ATOM 0 HG21 ILE A 29 -2.017 16.381 4.572 1.00 1.00 H new ATOM 0 HG22 ILE A 29 -2.734 14.765 4.374 1.00 1.00 H new ATOM 0 HG23 ILE A 29 -3.399 16.149 3.475 1.00 1.00 H new ATOM 0 HD11 ILE A 29 -5.268 19.219 4.830 1.00 1.00 H new ATOM 0 HD12 ILE A 29 -4.676 17.986 3.691 1.00 1.00 H new ATOM 0 HD13 ILE A 29 -6.063 17.629 4.747 1.00 1.00 H new ATOM 475 N CYS A 30 -4.636 13.124 6.172 1.00 1.00 N ATOM 476 CA CYS A 30 -4.428 11.691 6.062 1.00 1.00 C ATOM 477 C CYS A 30 -5.726 11.025 5.600 1.00 1.00 C ATOM 478 O CYS A 30 -5.650 10.039 4.852 1.00 1.00 O ATOM 479 CB CYS A 30 -3.924 11.103 7.381 1.00 1.00 C ATOM 480 SG CYS A 30 -5.083 11.248 8.773 1.00 1.00 S ATOM 0 H CYS A 30 -4.443 13.505 7.098 1.00 1.00 H new ATOM 0 HA CYS A 30 -3.655 11.496 5.319 1.00 1.00 H new ATOM 0 HB2 CYS A 30 -3.693 10.049 7.228 1.00 1.00 H new ATOM 0 HB3 CYS A 30 -2.991 11.598 7.650 1.00 1.00 H new ATOM 0 HG CYS A 30 -5.976 12.153 8.501 1.00 1.00 H new ATOM 486 N GLU A 31 -6.873 11.567 6.047 1.00 1.00 N ATOM 487 CA GLU A 31 -8.173 11.030 5.682 1.00 1.00 C ATOM 488 C GLU A 31 -8.570 11.560 4.303 1.00 1.00 C ATOM 489 O GLU A 31 -9.281 10.847 3.580 1.00 1.00 O ATOM 490 CB GLU A 31 -9.236 11.370 6.728 1.00 1.00 C ATOM 491 CG GLU A 31 -10.607 10.834 6.312 1.00 1.00 C ATOM 492 CD GLU A 31 -11.394 10.339 7.527 1.00 1.00 C ATOM 493 OE1 GLU A 31 -11.089 10.727 8.664 1.00 1.00 O ATOM 494 OE2 GLU A 31 -12.355 9.522 7.257 1.00 1.00 O ATOM 0 H GLU A 31 -6.914 12.379 6.663 1.00 1.00 H new ATOM 0 HA GLU A 31 -8.104 9.943 5.643 1.00 1.00 H new ATOM 0 HB2 GLU A 31 -8.953 10.945 7.691 1.00 1.00 H new ATOM 0 HB3 GLU A 31 -9.289 12.451 6.860 1.00 1.00 H new ATOM 0 HG2 GLU A 31 -11.169 11.618 5.805 1.00 1.00 H new ATOM 0 HG3 GLU A 31 -10.482 10.019 5.599 1.00 1.00 H new ATOM 501 N PHE A 32 -8.111 12.780 3.972 1.00 1.00 N ATOM 502 CA PHE A 32 -8.417 13.397 2.693 1.00 1.00 C ATOM 503 C PHE A 32 -7.827 12.545 1.567 1.00 1.00 C ATOM 504 O PHE A 32 -8.521 12.334 0.562 1.00 1.00 O ATOM 505 CB PHE A 32 -7.834 14.823 2.664 1.00 1.00 C ATOM 506 CG PHE A 32 -7.156 15.205 1.355 1.00 1.00 C ATOM 507 CD1 PHE A 32 -7.936 15.535 0.223 1.00 1.00 C ATOM 508 CD2 PHE A 32 -5.745 15.239 1.264 1.00 1.00 C ATOM 509 CE1 PHE A 32 -7.311 15.893 -0.990 1.00 1.00 C ATOM 510 CE2 PHE A 32 -5.120 15.598 0.051 1.00 1.00 C ATOM 511 CZ PHE A 32 -5.903 15.925 -1.077 1.00 1.00 C ATOM 0 H PHE A 32 -7.526 13.350 4.583 1.00 1.00 H new ATOM 0 HA PHE A 32 -9.496 13.459 2.554 1.00 1.00 H new ATOM 0 HB2 PHE A 32 -8.636 15.533 2.863 1.00 1.00 H new ATOM 0 HB3 PHE A 32 -7.112 14.923 3.474 1.00 1.00 H new ATOM 0 HD1 PHE A 32 -9.014 15.513 0.287 1.00 1.00 H new ATOM 0 HD2 PHE A 32 -5.144 14.989 2.126 1.00 1.00 H new ATOM 0 HE1 PHE A 32 -7.911 16.143 -1.853 1.00 1.00 H new ATOM 0 HE2 PHE A 32 -4.042 15.623 -0.014 1.00 1.00 H new ATOM 0 HZ PHE A 32 -5.425 16.199 -2.006 1.00 1.00 H new ATOM 521 N ILE A 33 -6.578 12.082 1.754 1.00 1.00 N ATOM 522 CA ILE A 33 -5.904 11.262 0.762 1.00 1.00 C ATOM 523 C ILE A 33 -6.537 9.869 0.742 1.00 1.00 C ATOM 524 O ILE A 33 -6.839 9.375 -0.354 1.00 1.00 O ATOM 525 CB ILE A 33 -4.395 11.248 1.014 1.00 1.00 C ATOM 526 CG1 ILE A 33 -3.723 12.469 0.383 1.00 1.00 C ATOM 527 CG2 ILE A 33 -3.771 9.937 0.532 1.00 1.00 C ATOM 528 CD1 ILE A 33 -2.623 13.020 1.293 1.00 1.00 C ATOM 0 H ILE A 33 -6.023 12.269 2.589 1.00 1.00 H new ATOM 0 HA ILE A 33 -6.034 11.686 -0.234 1.00 1.00 H new ATOM 0 HB ILE A 33 -4.227 11.308 2.089 1.00 1.00 H new ATOM 0 HG12 ILE A 33 -3.298 12.196 -0.583 1.00 1.00 H new ATOM 0 HG13 ILE A 33 -4.468 13.243 0.197 1.00 1.00 H new ATOM 0 HG21 ILE A 33 -2.698 9.953 0.723 1.00 1.00 H new ATOM 0 HG22 ILE A 33 -4.222 9.101 1.067 1.00 1.00 H new ATOM 0 HG23 ILE A 33 -3.948 9.822 -0.537 1.00 1.00 H new ATOM 0 HD11 ILE A 33 -2.161 13.887 0.821 1.00 1.00 H new ATOM 0 HD12 ILE A 33 -3.055 13.314 2.249 1.00 1.00 H new ATOM 0 HD13 ILE A 33 -1.868 12.251 1.457 1.00 1.00 H new ATOM 540 N SER A 34 -6.722 9.275 1.934 1.00 1.00 N ATOM 541 CA SER A 34 -7.314 7.953 2.052 1.00 1.00 C ATOM 542 C SER A 34 -8.560 7.876 1.168 1.00 1.00 C ATOM 543 O SER A 34 -8.912 6.767 0.739 1.00 1.00 O ATOM 544 CB SER A 34 -7.672 7.626 3.503 1.00 1.00 C ATOM 545 OG SER A 34 -6.869 6.571 4.027 1.00 1.00 O ATOM 0 H SER A 34 -6.466 9.700 2.825 1.00 1.00 H new ATOM 0 HA SER A 34 -6.582 7.216 1.722 1.00 1.00 H new ATOM 0 HB2 SER A 34 -7.545 8.517 4.117 1.00 1.00 H new ATOM 0 HB3 SER A 34 -8.723 7.345 3.562 1.00 1.00 H new ATOM 0 HG SER A 34 -7.440 5.808 4.255 1.00 1.00 H new ATOM 551 N ASN A 35 -9.193 9.036 0.916 1.00 1.00 N ATOM 552 CA ASN A 35 -10.387 9.098 0.091 1.00 1.00 C ATOM 553 C ASN A 35 -10.038 8.679 -1.338 1.00 1.00 C ATOM 554 O ASN A 35 -10.855 7.992 -1.967 1.00 1.00 O ATOM 555 CB ASN A 35 -10.949 10.521 0.043 1.00 1.00 C ATOM 556 CG ASN A 35 -12.443 10.532 0.376 1.00 1.00 C ATOM 557 OD1 ASN A 35 -13.252 9.881 -0.264 1.00 1.00 O ATOM 558 ND2 ASN A 35 -12.760 11.306 1.410 1.00 1.00 N ATOM 0 H ASN A 35 -8.887 9.939 1.278 1.00 1.00 H new ATOM 0 HA ASN A 35 -11.131 8.430 0.524 1.00 1.00 H new ATOM 0 HB2 ASN A 35 -10.411 11.153 0.750 1.00 1.00 H new ATOM 0 HB3 ASN A 35 -10.791 10.945 -0.948 1.00 1.00 H new ATOM 0 HD21 ASN A 35 -13.731 11.381 1.712 1.00 1.00 H new ATOM 0 HD22 ASN A 35 -12.032 11.824 1.901 1.00 1.00 H new ATOM 565 N ARG A 36 -8.850 9.094 -1.813 1.00 1.00 N ATOM 566 CA ARG A 36 -8.399 8.764 -3.155 1.00 1.00 C ATOM 567 C ARG A 36 -7.782 7.364 -3.151 1.00 1.00 C ATOM 568 O ARG A 36 -8.029 6.608 -4.102 1.00 1.00 O ATOM 569 CB ARG A 36 -7.365 9.769 -3.665 1.00 1.00 C ATOM 570 CG ARG A 36 -7.926 11.192 -3.646 1.00 1.00 C ATOM 571 CD ARG A 36 -9.144 11.313 -4.563 1.00 1.00 C ATOM 572 NE ARG A 36 -10.382 11.380 -3.755 1.00 1.00 N ATOM 573 CZ ARG A 36 -11.626 11.239 -4.261 1.00 1.00 C ATOM 574 NH1 ARG A 36 -11.771 11.025 -5.576 1.00 1.00 N ATOM 575 NH2 ARG A 36 -12.698 11.313 -3.461 1.00 1.00 N ATOM 0 H ARG A 36 -8.192 9.659 -1.277 1.00 1.00 H new ATOM 0 HA ARG A 36 -9.262 8.799 -3.820 1.00 1.00 H new ATOM 0 HB2 ARG A 36 -6.469 9.720 -3.046 1.00 1.00 H new ATOM 0 HB3 ARG A 36 -7.067 9.506 -4.680 1.00 1.00 H new ATOM 0 HG2 ARG A 36 -8.205 11.463 -2.628 1.00 1.00 H new ATOM 0 HG3 ARG A 36 -7.156 11.895 -3.964 1.00 1.00 H new ATOM 0 HD2 ARG A 36 -9.056 12.205 -5.183 1.00 1.00 H new ATOM 0 HD3 ARG A 36 -9.187 10.459 -5.239 1.00 1.00 H new ATOM 0 HE ARG A 36 -10.290 11.543 -2.752 1.00 1.00 H new ATOM 0 HH11 ARG A 36 -10.949 10.971 -6.178 1.00 1.00 H new ATOM 0 HH12 ARG A 36 -12.703 10.916 -5.975 1.00 1.00 H new ATOM 0 HH21 ARG A 36 -12.578 11.477 -2.461 1.00 1.00 H new ATOM 0 HH22 ARG A 36 -13.634 11.205 -3.851 1.00 1.00 H new ATOM 589 N PHE A 37 -7.005 7.052 -2.098 1.00 1.00 N ATOM 590 CA PHE A 37 -6.361 5.755 -1.975 1.00 1.00 C ATOM 591 C PHE A 37 -6.770 5.111 -0.649 1.00 1.00 C ATOM 592 O PHE A 37 -5.992 5.195 0.312 1.00 1.00 O ATOM 593 CB PHE A 37 -4.832 5.939 -2.045 1.00 1.00 C ATOM 594 CG PHE A 37 -4.378 7.224 -2.725 1.00 1.00 C ATOM 595 CD1 PHE A 37 -4.908 7.593 -3.983 1.00 1.00 C ATOM 596 CD2 PHE A 37 -3.415 8.052 -2.103 1.00 1.00 C ATOM 597 CE1 PHE A 37 -4.481 8.782 -4.612 1.00 1.00 C ATOM 598 CE2 PHE A 37 -2.989 9.241 -2.733 1.00 1.00 C ATOM 599 CZ PHE A 37 -3.522 9.606 -3.987 1.00 1.00 C ATOM 0 H PHE A 37 -6.815 7.689 -1.325 1.00 1.00 H new ATOM 0 HA PHE A 37 -6.672 5.101 -2.790 1.00 1.00 H new ATOM 0 HB2 PHE A 37 -4.430 5.918 -1.032 1.00 1.00 H new ATOM 0 HB3 PHE A 37 -4.401 5.090 -2.577 1.00 1.00 H new ATOM 0 HD1 PHE A 37 -5.642 6.963 -4.464 1.00 1.00 H new ATOM 0 HD2 PHE A 37 -3.005 7.774 -1.144 1.00 1.00 H new ATOM 0 HE1 PHE A 37 -4.889 9.061 -5.572 1.00 1.00 H new ATOM 0 HE2 PHE A 37 -2.254 9.872 -2.255 1.00 1.00 H new ATOM 0 HZ PHE A 37 -3.196 10.516 -4.468 1.00 1.00 H new ATOM 609 N PRO A 38 -7.964 4.492 -0.624 1.00 1.00 N ATOM 610 CA PRO A 38 -8.500 3.831 0.554 1.00 1.00 C ATOM 611 C PRO A 38 -7.795 2.496 0.803 1.00 1.00 C ATOM 612 O PRO A 38 -7.563 2.160 1.973 1.00 1.00 O ATOM 613 CB PRO A 38 -9.986 3.675 0.276 1.00 1.00 C ATOM 614 CG PRO A 38 -10.147 3.830 -1.228 1.00 1.00 C ATOM 615 CD PRO A 38 -8.855 4.413 -1.777 1.00 1.00 C ATOM 0 HA PRO A 38 -8.337 4.403 1.467 1.00 1.00 H new ATOM 0 HB2 PRO A 38 -10.346 2.701 0.609 1.00 1.00 H new ATOM 0 HB3 PRO A 38 -10.565 4.428 0.810 1.00 1.00 H new ATOM 0 HG2 PRO A 38 -10.358 2.866 -1.691 1.00 1.00 H new ATOM 0 HG3 PRO A 38 -10.988 4.484 -1.457 1.00 1.00 H new ATOM 0 HD2 PRO A 38 -8.436 3.780 -2.559 1.00 1.00 H new ATOM 0 HD3 PRO A 38 -9.020 5.396 -2.218 1.00 1.00 H new ATOM 623 N TYR A 39 -7.473 1.773 -0.285 1.00 1.00 N ATOM 624 CA TYR A 39 -6.806 0.494 -0.117 1.00 1.00 C ATOM 625 C TYR A 39 -5.317 0.730 0.145 1.00 1.00 C ATOM 626 O TYR A 39 -4.598 -0.258 0.354 1.00 1.00 O ATOM 627 CB TYR A 39 -7.036 -0.391 -1.356 1.00 1.00 C ATOM 628 CG TYR A 39 -6.123 -0.078 -2.533 1.00 1.00 C ATOM 629 CD1 TYR A 39 -5.683 1.245 -2.766 1.00 1.00 C ATOM 630 CD2 TYR A 39 -5.715 -1.114 -3.405 1.00 1.00 C ATOM 631 CE1 TYR A 39 -4.839 1.530 -3.861 1.00 1.00 C ATOM 632 CE2 TYR A 39 -4.871 -0.829 -4.500 1.00 1.00 C ATOM 633 CZ TYR A 39 -4.432 0.493 -4.729 1.00 1.00 C ATOM 634 OH TYR A 39 -3.614 0.764 -5.789 1.00 1.00 O ATOM 0 H TYR A 39 -7.660 2.048 -1.249 1.00 1.00 H new ATOM 0 HA TYR A 39 -7.223 -0.033 0.741 1.00 1.00 H new ATOM 0 HB2 TYR A 39 -6.898 -1.434 -1.072 1.00 1.00 H new ATOM 0 HB3 TYR A 39 -8.072 -0.283 -1.677 1.00 1.00 H new ATOM 0 HD1 TYR A 39 -5.993 2.040 -2.104 1.00 1.00 H new ATOM 0 HD2 TYR A 39 -6.050 -2.126 -3.233 1.00 1.00 H new ATOM 0 HE1 TYR A 39 -4.504 2.542 -4.035 1.00 1.00 H new ATOM 0 HE2 TYR A 39 -4.561 -1.623 -5.163 1.00 1.00 H new ATOM 0 HH TYR A 39 -3.432 -0.063 -6.281 1.00 1.00 H new ATOM 644 N TYR A 40 -4.888 2.005 0.122 1.00 1.00 N ATOM 645 CA TYR A 40 -3.481 2.286 0.349 1.00 1.00 C ATOM 646 C TYR A 40 -3.223 2.388 1.854 1.00 1.00 C ATOM 647 O TYR A 40 -2.249 1.780 2.321 1.00 1.00 O ATOM 648 CB TYR A 40 -3.071 3.572 -0.391 1.00 1.00 C ATOM 649 CG TYR A 40 -1.665 3.544 -0.976 1.00 1.00 C ATOM 650 CD1 TYR A 40 -0.536 3.587 -0.126 1.00 1.00 C ATOM 651 CD2 TYR A 40 -1.483 3.479 -2.376 1.00 1.00 C ATOM 652 CE1 TYR A 40 0.765 3.564 -0.673 1.00 1.00 C ATOM 653 CE2 TYR A 40 -0.183 3.456 -2.923 1.00 1.00 C ATOM 654 CZ TYR A 40 0.943 3.497 -2.072 1.00 1.00 C ATOM 655 OH TYR A 40 2.200 3.473 -2.605 1.00 1.00 O ATOM 0 H TYR A 40 -5.478 2.820 -0.045 1.00 1.00 H new ATOM 0 HA TYR A 40 -2.870 1.475 -0.048 1.00 1.00 H new ATOM 0 HB2 TYR A 40 -3.782 3.755 -1.196 1.00 1.00 H new ATOM 0 HB3 TYR A 40 -3.147 4.413 0.299 1.00 1.00 H new ATOM 0 HD1 TYR A 40 -0.669 3.638 0.945 1.00 1.00 H new ATOM 0 HD2 TYR A 40 -2.342 3.447 -3.029 1.00 1.00 H new ATOM 0 HE1 TYR A 40 1.625 3.598 -0.021 1.00 1.00 H new ATOM 0 HE2 TYR A 40 -0.049 3.407 -3.994 1.00 1.00 H new ATOM 0 HH TYR A 40 2.140 3.425 -3.582 1.00 1.00 H new ATOM 665 N ARG A 41 -4.074 3.146 2.569 1.00 1.00 N ATOM 666 CA ARG A 41 -3.926 3.326 4.003 1.00 1.00 C ATOM 667 C ARG A 41 -4.362 2.048 4.722 1.00 1.00 C ATOM 668 O ARG A 41 -3.598 1.555 5.564 1.00 1.00 O ATOM 669 CB ARG A 41 -4.763 4.501 4.513 1.00 1.00 C ATOM 670 CG ARG A 41 -4.669 4.621 6.035 1.00 1.00 C ATOM 671 CD ARG A 41 -5.611 5.708 6.558 1.00 1.00 C ATOM 672 NE ARG A 41 -5.554 5.758 8.036 1.00 1.00 N ATOM 673 CZ ARG A 41 -6.197 4.892 8.849 1.00 1.00 C ATOM 674 NH1 ARG A 41 -6.938 3.918 8.303 1.00 1.00 N ATOM 675 NH2 ARG A 41 -6.095 5.005 10.180 1.00 1.00 N ATOM 0 H ARG A 41 -4.870 3.640 2.165 1.00 1.00 H new ATOM 0 HA ARG A 41 -2.877 3.541 4.209 1.00 1.00 H new ATOM 0 HB2 ARG A 41 -4.419 5.426 4.050 1.00 1.00 H new ATOM 0 HB3 ARG A 41 -5.804 4.366 4.219 1.00 1.00 H new ATOM 0 HG2 ARG A 41 -4.920 3.665 6.495 1.00 1.00 H new ATOM 0 HG3 ARG A 41 -3.644 4.854 6.323 1.00 1.00 H new ATOM 0 HD2 ARG A 41 -5.330 6.675 6.142 1.00 1.00 H new ATOM 0 HD3 ARG A 41 -6.631 5.505 6.232 1.00 1.00 H new ATOM 0 HE ARG A 41 -4.994 6.493 8.468 1.00 1.00 H new ATOM 0 HH11 ARG A 41 -7.010 3.839 7.289 1.00 1.00 H new ATOM 0 HH12 ARG A 41 -7.430 3.255 8.902 1.00 1.00 H new ATOM 0 HH21 ARG A 41 -5.528 5.749 10.587 1.00 1.00 H new ATOM 0 HH22 ARG A 41 -6.584 4.347 10.787 1.00 1.00 H new ATOM 689 N GLU A 42 -5.562 1.545 4.381 1.00 1.00 N ATOM 690 CA GLU A 42 -6.091 0.336 4.989 1.00 1.00 C ATOM 691 C GLU A 42 -5.147 -0.832 4.698 1.00 1.00 C ATOM 692 O GLU A 42 -5.281 -1.876 5.353 1.00 1.00 O ATOM 693 CB GLU A 42 -7.507 0.033 4.496 1.00 1.00 C ATOM 694 CG GLU A 42 -7.486 -0.498 3.061 1.00 1.00 C ATOM 695 CD GLU A 42 -7.937 -1.959 3.010 1.00 1.00 C ATOM 696 OE1 GLU A 42 -7.544 -2.686 4.001 1.00 1.00 O ATOM 697 OE2 GLU A 42 -8.629 -2.362 2.063 1.00 1.00 O ATOM 0 H GLU A 42 -6.176 1.967 3.685 1.00 1.00 H new ATOM 0 HA GLU A 42 -6.155 0.486 6.067 1.00 1.00 H new ATOM 0 HB2 GLU A 42 -7.975 -0.701 5.152 1.00 1.00 H new ATOM 0 HB3 GLU A 42 -8.114 0.937 4.544 1.00 1.00 H new ATOM 0 HG2 GLU A 42 -8.139 0.110 2.435 1.00 1.00 H new ATOM 0 HG3 GLU A 42 -6.480 -0.410 2.652 1.00 1.00 H new ATOM 704 N LYS A 43 -4.226 -0.637 3.737 1.00 1.00 N ATOM 705 CA LYS A 43 -3.271 -1.667 3.366 1.00 1.00 C ATOM 706 C LYS A 43 -1.851 -1.118 3.517 1.00 1.00 C ATOM 707 O LYS A 43 -0.922 -1.727 2.967 1.00 1.00 O ATOM 708 CB LYS A 43 -3.578 -2.202 1.966 1.00 1.00 C ATOM 709 CG LYS A 43 -3.481 -3.728 1.929 1.00 1.00 C ATOM 710 CD LYS A 43 -2.021 -4.186 1.939 1.00 1.00 C ATOM 711 CE LYS A 43 -1.925 -5.711 1.865 1.00 1.00 C ATOM 712 NZ LYS A 43 -1.929 -6.161 0.463 1.00 1.00 N ATOM 0 H LYS A 43 -4.132 0.231 3.209 1.00 1.00 H new ATOM 0 HA LYS A 43 -3.355 -2.523 4.035 1.00 1.00 H new ATOM 0 HB2 LYS A 43 -4.578 -1.890 1.665 1.00 1.00 H new ATOM 0 HB3 LYS A 43 -2.880 -1.772 1.247 1.00 1.00 H new ATOM 0 HG2 LYS A 43 -4.004 -4.150 2.787 1.00 1.00 H new ATOM 0 HG3 LYS A 43 -3.978 -4.106 1.036 1.00 1.00 H new ATOM 0 HD2 LYS A 43 -1.491 -3.743 1.095 1.00 1.00 H new ATOM 0 HD3 LYS A 43 -1.531 -3.831 2.845 1.00 1.00 H new ATOM 0 HE2 LYS A 43 -1.014 -6.048 2.359 1.00 1.00 H new ATOM 0 HE3 LYS A 43 -2.762 -6.160 2.400 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 -1.863 -7.198 0.431 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 -2.810 -5.856 0.003 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 -1.116 -5.747 -0.037 1.00 1.00 H new ATOM 726 N PHE A 44 -1.713 0.004 4.246 1.00 1.00 N ATOM 727 CA PHE A 44 -0.418 0.626 4.465 1.00 1.00 C ATOM 728 C PHE A 44 -0.601 1.893 5.302 1.00 1.00 C ATOM 729 O PHE A 44 -0.320 2.986 4.787 1.00 1.00 O ATOM 730 CB PHE A 44 0.222 0.958 3.103 1.00 1.00 C ATOM 731 CG PHE A 44 1.738 1.099 3.131 1.00 1.00 C ATOM 732 CD1 PHE A 44 2.528 0.183 3.865 1.00 1.00 C ATOM 733 CD2 PHE A 44 2.365 2.154 2.428 1.00 1.00 C ATOM 734 CE1 PHE A 44 3.932 0.320 3.893 1.00 1.00 C ATOM 735 CE2 PHE A 44 3.769 2.290 2.457 1.00 1.00 C ATOM 736 CZ PHE A 44 4.553 1.373 3.188 1.00 1.00 C ATOM 0 H PHE A 44 -2.492 0.491 4.690 1.00 1.00 H new ATOM 0 HA PHE A 44 0.241 -0.055 5.004 1.00 1.00 H new ATOM 0 HB2 PHE A 44 -0.044 0.176 2.392 1.00 1.00 H new ATOM 0 HB3 PHE A 44 -0.209 1.887 2.731 1.00 1.00 H new ATOM 0 HD1 PHE A 44 2.055 -0.624 4.405 1.00 1.00 H new ATOM 0 HD2 PHE A 44 1.767 2.858 1.867 1.00 1.00 H new ATOM 0 HE1 PHE A 44 4.532 -0.381 4.454 1.00 1.00 H new ATOM 0 HE2 PHE A 44 4.244 3.097 1.919 1.00 1.00 H new ATOM 0 HZ PHE A 44 5.628 1.477 3.208 1.00 1.00 H new ATOM 746 N PRO A 45 -1.061 1.726 6.555 1.00 1.00 N ATOM 747 CA PRO A 45 -1.289 2.825 7.478 1.00 1.00 C ATOM 748 C PRO A 45 0.033 3.362 8.029 1.00 1.00 C ATOM 749 O PRO A 45 0.017 4.421 8.673 1.00 1.00 O ATOM 750 CB PRO A 45 -2.192 2.250 8.558 1.00 1.00 C ATOM 751 CG PRO A 45 -2.058 0.739 8.452 1.00 1.00 C ATOM 752 CD PRO A 45 -1.382 0.423 7.128 1.00 1.00 C ATOM 0 HA PRO A 45 -1.758 3.685 7.000 1.00 1.00 H new ATOM 0 HB2 PRO A 45 -1.892 2.600 9.546 1.00 1.00 H new ATOM 0 HB3 PRO A 45 -3.226 2.562 8.410 1.00 1.00 H new ATOM 0 HG2 PRO A 45 -1.471 0.349 9.283 1.00 1.00 H new ATOM 0 HG3 PRO A 45 -3.038 0.264 8.503 1.00 1.00 H new ATOM 0 HD2 PRO A 45 -0.484 -0.177 7.275 1.00 1.00 H new ATOM 0 HD3 PRO A 45 -2.041 -0.146 6.473 1.00 1.00 H new ATOM 760 N ALA A 46 1.134 2.634 7.770 1.00 1.00 N ATOM 761 CA ALA A 46 2.450 3.035 8.236 1.00 1.00 C ATOM 762 C ALA A 46 2.932 4.236 7.420 1.00 1.00 C ATOM 763 O ALA A 46 3.816 4.960 7.901 1.00 1.00 O ATOM 764 CB ALA A 46 3.454 1.909 7.977 1.00 1.00 C ATOM 0 H ALA A 46 1.126 1.764 7.238 1.00 1.00 H new ATOM 0 HA ALA A 46 2.383 3.270 9.298 1.00 1.00 H new ATOM 0 HB1 ALA A 46 4.440 2.213 8.328 1.00 1.00 H new ATOM 0 HB2 ALA A 46 3.140 1.012 8.510 1.00 1.00 H new ATOM 0 HB3 ALA A 46 3.498 1.699 6.908 1.00 1.00 H new ATOM 770 N TRP A 47 2.351 4.420 6.221 1.00 1.00 N ATOM 771 CA TRP A 47 2.719 5.523 5.349 1.00 1.00 C ATOM 772 C TRP A 47 1.980 6.787 5.793 1.00 1.00 C ATOM 773 O TRP A 47 2.159 7.832 5.150 1.00 1.00 O ATOM 774 CB TRP A 47 2.450 5.156 3.888 1.00 1.00 C ATOM 775 CG TRP A 47 1.001 5.375 3.448 1.00 1.00 C ATOM 776 CD1 TRP A 47 -0.109 5.293 4.193 1.00 1.00 C ATOM 777 CD2 TRP A 47 0.549 5.717 2.121 1.00 1.00 C ATOM 778 NE1 TRP A 47 -1.240 5.556 3.447 1.00 1.00 N ATOM 779 CE2 TRP A 47 -0.827 5.822 2.147 1.00 1.00 C ATOM 780 CE3 TRP A 47 1.278 5.931 0.938 1.00 1.00 C ATOM 781 CZ2 TRP A 47 -1.593 6.144 1.020 1.00 1.00 C ATOM 782 CZ3 TRP A 47 0.497 6.252 -0.180 1.00 1.00 C ATOM 783 CH2 TRP A 47 -0.888 6.362 -0.170 1.00 1.00 C ATOM 0 H TRP A 47 1.625 3.812 5.843 1.00 1.00 H new ATOM 0 HA TRP A 47 3.787 5.725 5.425 1.00 1.00 H new ATOM 0 HB2 TRP A 47 3.106 5.747 3.249 1.00 1.00 H new ATOM 0 HB3 TRP A 47 2.712 4.109 3.733 1.00 1.00 H new ATOM 0 HD1 TRP A 47 -0.118 5.051 5.246 1.00 1.00 H new ATOM 0 HE1 TRP A 47 -2.202 5.555 3.787 1.00 1.00 H new ATOM 0 HE3 TRP A 47 2.354 5.854 0.895 1.00 1.00 H new ATOM 0 HZ2 TRP A 47 -2.669 6.220 1.066 1.00 1.00 H new ATOM 0 HZ3 TRP A 47 1.008 6.426 -1.116 1.00 1.00 H new ATOM 0 HH2 TRP A 47 -1.419 6.615 -1.076 1.00 1.00 H new ATOM 794 N GLN A 48 1.177 6.670 6.866 1.00 1.00 N ATOM 795 CA GLN A 48 0.420 7.795 7.389 1.00 1.00 C ATOM 796 C GLN A 48 1.379 8.941 7.717 1.00 1.00 C ATOM 797 O GLN A 48 1.033 10.098 7.437 1.00 1.00 O ATOM 798 CB GLN A 48 -0.401 7.398 8.617 1.00 1.00 C ATOM 799 CG GLN A 48 -1.125 8.610 9.208 1.00 1.00 C ATOM 800 CD GLN A 48 -0.650 8.890 10.635 1.00 1.00 C ATOM 801 OE1 GLN A 48 -0.777 8.071 11.531 1.00 1.00 O ATOM 802 NE2 GLN A 48 -0.098 10.089 10.797 1.00 1.00 N ATOM 0 H GLN A 48 1.043 5.800 7.381 1.00 1.00 H new ATOM 0 HA GLN A 48 -0.287 8.124 6.628 1.00 1.00 H new ATOM 0 HB2 GLN A 48 -1.128 6.634 8.341 1.00 1.00 H new ATOM 0 HB3 GLN A 48 0.253 6.958 9.370 1.00 1.00 H new ATOM 0 HG2 GLN A 48 -0.946 9.485 8.583 1.00 1.00 H new ATOM 0 HG3 GLN A 48 -2.200 8.432 9.207 1.00 1.00 H new ATOM 0 HE21 GLN A 48 -0.022 10.727 10.005 1.00 1.00 H new ATOM 0 HE22 GLN A 48 0.250 10.371 11.714 1.00 1.00 H new ATOM 811 N ASN A 49 2.546 8.603 8.294 1.00 1.00 N ATOM 812 CA ASN A 49 3.543 9.596 8.656 1.00 1.00 C ATOM 813 C ASN A 49 4.382 9.943 7.424 1.00 1.00 C ATOM 814 O ASN A 49 4.834 11.093 7.322 1.00 1.00 O ATOM 815 CB ASN A 49 4.487 9.063 9.735 1.00 1.00 C ATOM 816 CG ASN A 49 5.484 10.138 10.172 1.00 1.00 C ATOM 817 OD1 ASN A 49 6.573 10.206 9.412 1.00 1.00 O flip ATOM 818 ND2 ASN A 49 5.278 10.858 11.135 1.00 1.00 N flip ATOM 0 H ASN A 49 2.812 7.643 8.515 1.00 1.00 H new ATOM 0 HA ASN A 49 3.021 10.474 9.036 1.00 1.00 H new ATOM 0 HB2 ASN A 49 3.908 8.727 10.596 1.00 1.00 H new ATOM 0 HB3 ASN A 49 5.026 8.195 9.355 1.00 1.00 H new ATOM 0 HD21 ASN A 49 4.420 10.753 11.676 1.00 1.00 H new ATOM 0 HD22 ASN A 49 5.964 11.565 11.399 1.00 1.00 H new ATOM 825 N SER A 50 4.570 8.958 6.527 1.00 1.00 N ATOM 826 CA SER A 50 5.347 9.158 5.316 1.00 1.00 C ATOM 827 C SER A 50 4.720 10.285 4.493 1.00 1.00 C ATOM 828 O SER A 50 5.441 11.229 4.139 1.00 1.00 O ATOM 829 CB SER A 50 5.428 7.876 4.485 1.00 1.00 C ATOM 830 OG SER A 50 4.200 7.593 3.819 1.00 1.00 O ATOM 0 H SER A 50 4.189 8.018 6.629 1.00 1.00 H new ATOM 0 HA SER A 50 6.364 9.431 5.598 1.00 1.00 H new ATOM 0 HB2 SER A 50 6.226 7.971 3.749 1.00 1.00 H new ATOM 0 HB3 SER A 50 5.690 7.040 5.133 1.00 1.00 H new ATOM 0 HG SER A 50 3.451 7.913 4.364 1.00 1.00 H new ATOM 836 N ILE A 51 3.410 10.167 4.209 1.00 1.00 N ATOM 837 CA ILE A 51 2.696 11.168 3.436 1.00 1.00 C ATOM 838 C ILE A 51 2.822 12.526 4.129 1.00 1.00 C ATOM 839 O ILE A 51 2.764 13.551 3.434 1.00 1.00 O ATOM 840 CB ILE A 51 1.250 10.731 3.198 1.00 1.00 C ATOM 841 CG1 ILE A 51 0.636 11.486 2.017 1.00 1.00 C ATOM 842 CG2 ILE A 51 0.415 10.880 4.471 1.00 1.00 C ATOM 843 CD1 ILE A 51 -0.208 10.552 1.148 1.00 1.00 C ATOM 0 H ILE A 51 2.834 9.381 4.510 1.00 1.00 H new ATOM 0 HA ILE A 51 3.140 11.272 2.446 1.00 1.00 H new ATOM 0 HB ILE A 51 1.252 9.673 2.937 1.00 1.00 H new ATOM 0 HG12 ILE A 51 0.017 12.304 2.386 1.00 1.00 H new ATOM 0 HG13 ILE A 51 1.428 11.932 1.415 1.00 1.00 H new ATOM 0 HG21 ILE A 51 -0.609 10.562 4.274 1.00 1.00 H new ATOM 0 HG22 ILE A 51 0.841 10.261 5.260 1.00 1.00 H new ATOM 0 HG23 ILE A 51 0.417 11.923 4.787 1.00 1.00 H new ATOM 0 HD11 ILE A 51 -0.633 11.114 0.316 1.00 1.00 H new ATOM 0 HD12 ILE A 51 0.420 9.749 0.761 1.00 1.00 H new ATOM 0 HD13 ILE A 51 -1.013 10.126 1.747 1.00 1.00 H new ATOM 855 N ARG A 52 2.987 12.508 5.464 1.00 1.00 N ATOM 856 CA ARG A 52 3.119 13.729 6.240 1.00 1.00 C ATOM 857 C ARG A 52 4.523 14.304 6.044 1.00 1.00 C ATOM 858 O ARG A 52 4.659 15.536 6.026 1.00 1.00 O ATOM 859 CB ARG A 52 2.883 13.478 7.731 1.00 1.00 C ATOM 860 CG ARG A 52 3.191 14.730 8.554 1.00 1.00 C ATOM 861 CD ARG A 52 3.772 14.359 9.920 1.00 1.00 C ATOM 862 NE ARG A 52 2.863 14.811 10.997 1.00 1.00 N ATOM 863 CZ ARG A 52 3.045 14.537 12.306 1.00 1.00 C ATOM 864 NH1 ARG A 52 4.109 13.812 12.676 1.00 1.00 N ATOM 865 NH2 ARG A 52 2.175 14.984 13.222 1.00 1.00 N ATOM 0 H ARG A 52 3.031 11.653 6.018 1.00 1.00 H new ATOM 0 HA ARG A 52 2.365 14.434 5.890 1.00 1.00 H new ATOM 0 HB2 ARG A 52 1.848 13.178 7.893 1.00 1.00 H new ATOM 0 HB3 ARG A 52 3.511 12.653 8.068 1.00 1.00 H new ATOM 0 HG2 ARG A 52 3.897 15.360 8.013 1.00 1.00 H new ATOM 0 HG3 ARG A 52 2.281 15.314 8.689 1.00 1.00 H new ATOM 0 HD2 ARG A 52 3.915 13.280 9.983 1.00 1.00 H new ATOM 0 HD3 ARG A 52 4.753 14.818 10.044 1.00 1.00 H new ATOM 0 HE ARG A 52 2.048 15.364 10.733 1.00 1.00 H new ATOM 0 HH11 ARG A 52 4.767 13.476 11.973 1.00 1.00 H new ATOM 0 HH12 ARG A 52 4.261 13.596 13.661 1.00 1.00 H new ATOM 0 HH21 ARG A 52 1.368 15.536 12.932 1.00 1.00 H new ATOM 0 HH22 ARG A 52 2.320 14.772 14.209 1.00 1.00 H new ATOM 879 N HIS A 53 5.524 13.416 5.904 1.00 1.00 N ATOM 880 CA HIS A 53 6.902 13.833 5.711 1.00 1.00 C ATOM 881 C HIS A 53 7.022 14.585 4.384 1.00 1.00 C ATOM 882 O HIS A 53 7.466 15.743 4.400 1.00 1.00 O ATOM 883 CB HIS A 53 7.854 12.639 5.804 1.00 1.00 C ATOM 884 CG HIS A 53 8.811 12.705 6.970 1.00 1.00 C ATOM 885 ND1 HIS A 53 10.058 12.105 6.951 1.00 1.00 N ATOM 886 CD2 HIS A 53 8.692 13.307 8.188 1.00 1.00 C ATOM 887 CE1 HIS A 53 10.653 12.341 8.111 1.00 1.00 C ATOM 888 NE2 HIS A 53 9.804 13.086 8.877 1.00 1.00 N ATOM 0 H HIS A 53 5.391 12.405 5.923 1.00 1.00 H new ATOM 0 HA HIS A 53 7.196 14.515 6.509 1.00 1.00 H new ATOM 0 HB2 HIS A 53 7.266 11.724 5.881 1.00 1.00 H new ATOM 0 HB3 HIS A 53 8.428 12.572 4.880 1.00 1.00 H new ATOM 0 HD2 HIS A 53 7.837 13.869 8.533 1.00 1.00 H new ATOM 0 HE1 HIS A 53 11.637 12.003 8.400 1.00 1.00 H new ATOM 0 HE2 HIS A 53 9.993 13.418 9.823 1.00 1.00 H new ATOM 896 N ASN A 54 6.631 13.924 3.280 1.00 1.00 N ATOM 897 CA ASN A 54 6.695 14.526 1.959 1.00 1.00 C ATOM 898 C ASN A 54 5.957 15.866 1.978 1.00 1.00 C ATOM 899 O ASN A 54 6.291 16.735 1.159 1.00 1.00 O ATOM 900 CB ASN A 54 6.025 13.632 0.913 1.00 1.00 C ATOM 901 CG ASN A 54 6.608 13.886 -0.479 1.00 1.00 C ATOM 902 OD1 ASN A 54 6.010 14.534 -1.321 1.00 1.00 O ATOM 903 ND2 ASN A 54 7.805 13.340 -0.672 1.00 1.00 N ATOM 0 H ASN A 54 6.268 12.971 3.289 1.00 1.00 H new ATOM 0 HA ASN A 54 7.745 14.659 1.700 1.00 1.00 H new ATOM 0 HB2 ASN A 54 6.162 12.585 1.183 1.00 1.00 H new ATOM 0 HB3 ASN A 54 4.952 13.821 0.902 1.00 1.00 H new ATOM 0 HD21 ASN A 54 8.278 13.452 -1.569 1.00 1.00 H new ATOM 0 HD22 ASN A 54 8.250 12.809 0.077 1.00 1.00 H new ATOM 910 N LEU A 55 4.984 16.005 2.897 1.00 1.00 N ATOM 911 CA LEU A 55 4.209 17.228 3.019 1.00 1.00 C ATOM 912 C LEU A 55 5.084 18.322 3.633 1.00 1.00 C ATOM 913 O LEU A 55 5.093 19.440 3.098 1.00 1.00 O ATOM 914 CB LEU A 55 2.915 16.967 3.793 1.00 1.00 C ATOM 915 CG LEU A 55 2.117 18.206 4.202 1.00 1.00 C ATOM 916 CD1 LEU A 55 1.193 18.662 3.071 1.00 1.00 C ATOM 917 CD2 LEU A 55 1.351 17.960 5.504 1.00 1.00 C ATOM 0 H LEU A 55 4.724 15.277 3.562 1.00 1.00 H new ATOM 0 HA LEU A 55 3.899 17.583 2.036 1.00 1.00 H new ATOM 0 HB2 LEU A 55 2.273 16.330 3.184 1.00 1.00 H new ATOM 0 HB3 LEU A 55 3.161 16.404 4.693 1.00 1.00 H new ATOM 0 HG LEU A 55 2.820 19.018 4.390 1.00 1.00 H new ATOM 0 HD11 LEU A 55 0.637 19.544 3.388 1.00 1.00 H new ATOM 0 HD12 LEU A 55 1.788 18.905 2.191 1.00 1.00 H new ATOM 0 HD13 LEU A 55 0.494 17.862 2.827 1.00 1.00 H new ATOM 0 HD21 LEU A 55 0.792 18.857 5.772 1.00 1.00 H new ATOM 0 HD22 LEU A 55 0.660 17.128 5.368 1.00 1.00 H new ATOM 0 HD23 LEU A 55 2.055 17.720 6.301 1.00 1.00 H new ATOM 929 N SER A 56 5.790 17.985 4.727 1.00 1.00 N ATOM 930 CA SER A 56 6.658 18.933 5.405 1.00 1.00 C ATOM 931 C SER A 56 8.012 18.977 4.693 1.00 1.00 C ATOM 932 O SER A 56 8.790 19.903 4.965 1.00 1.00 O ATOM 933 CB SER A 56 6.845 18.566 6.879 1.00 1.00 C ATOM 934 OG SER A 56 8.122 18.964 7.370 1.00 1.00 O ATOM 0 H SER A 56 5.768 17.058 5.152 1.00 1.00 H new ATOM 0 HA SER A 56 6.191 19.917 5.369 1.00 1.00 H new ATOM 0 HB2 SER A 56 6.064 19.041 7.473 1.00 1.00 H new ATOM 0 HB3 SER A 56 6.729 17.489 7.002 1.00 1.00 H new ATOM 0 HG SER A 56 8.485 19.674 6.800 1.00 1.00 H new ATOM 940 N LEU A 57 8.261 17.993 3.812 1.00 1.00 N ATOM 941 CA LEU A 57 9.509 17.921 3.070 1.00 1.00 C ATOM 942 C LEU A 57 9.378 18.734 1.780 1.00 1.00 C ATOM 943 O LEU A 57 10.414 19.090 1.200 1.00 1.00 O ATOM 944 CB LEU A 57 9.912 16.463 2.840 1.00 1.00 C ATOM 945 CG LEU A 57 10.904 15.875 3.845 1.00 1.00 C ATOM 946 CD1 LEU A 57 12.255 16.589 3.765 1.00 1.00 C ATOM 947 CD2 LEU A 57 10.327 15.897 5.262 1.00 1.00 C ATOM 0 H LEU A 57 7.606 17.240 3.603 1.00 1.00 H new ATOM 0 HA LEU A 57 10.321 18.365 3.646 1.00 1.00 H new ATOM 0 HB2 LEU A 57 9.010 15.852 2.850 1.00 1.00 H new ATOM 0 HB3 LEU A 57 10.343 16.379 1.842 1.00 1.00 H new ATOM 0 HG LEU A 57 11.076 14.831 3.583 1.00 1.00 H new ATOM 0 HD11 LEU A 57 12.941 16.151 4.490 1.00 1.00 H new ATOM 0 HD12 LEU A 57 12.667 16.477 2.762 1.00 1.00 H new ATOM 0 HD13 LEU A 57 12.121 17.648 3.986 1.00 1.00 H new ATOM 0 HD21 LEU A 57 11.052 15.473 5.957 1.00 1.00 H new ATOM 0 HD22 LEU A 57 10.107 16.925 5.549 1.00 1.00 H new ATOM 0 HD23 LEU A 57 9.410 15.308 5.291 1.00 1.00 H new ATOM 959 N ASN A 58 8.128 19.006 1.364 1.00 1.00 N ATOM 960 CA ASN A 58 7.868 19.769 0.156 1.00 1.00 C ATOM 961 C ASN A 58 7.814 21.259 0.500 1.00 1.00 C ATOM 962 O ASN A 58 8.815 21.954 0.272 1.00 1.00 O ATOM 963 CB ASN A 58 6.525 19.378 -0.465 1.00 1.00 C ATOM 964 CG ASN A 58 6.129 20.353 -1.575 1.00 1.00 C ATOM 965 OD1 ASN A 58 6.921 20.718 -2.428 1.00 1.00 O ATOM 966 ND2 ASN A 58 4.863 20.754 -1.516 1.00 1.00 N ATOM 0 H ASN A 58 7.288 18.702 1.857 1.00 1.00 H new ATOM 0 HA ASN A 58 8.668 19.559 -0.554 1.00 1.00 H new ATOM 0 HB2 ASN A 58 6.588 18.368 -0.869 1.00 1.00 H new ATOM 0 HB3 ASN A 58 5.754 19.366 0.305 1.00 1.00 H new ATOM 0 HD21 ASN A 58 4.502 21.406 -2.212 1.00 1.00 H new ATOM 0 HD22 ASN A 58 4.253 20.409 -0.775 1.00 1.00 H new ATOM 973 N ASP A 59 6.665 21.712 1.033 1.00 1.00 N ATOM 974 CA ASP A 59 6.485 23.106 1.404 1.00 1.00 C ATOM 975 C ASP A 59 7.468 23.462 2.521 1.00 1.00 C ATOM 976 O ASP A 59 8.147 24.493 2.402 1.00 1.00 O ATOM 977 CB ASP A 59 5.068 23.359 1.922 1.00 1.00 C ATOM 978 CG ASP A 59 4.243 24.344 1.092 1.00 1.00 C ATOM 979 OD1 ASP A 59 4.681 25.471 0.816 1.00 1.00 O ATOM 980 OD2 ASP A 59 3.088 23.909 0.718 1.00 1.00 O ATOM 0 H ASP A 59 5.852 21.123 1.212 1.00 1.00 H new ATOM 0 HA ASP A 59 6.659 23.717 0.518 1.00 1.00 H new ATOM 0 HB2 ASP A 59 4.537 22.408 1.963 1.00 1.00 H new ATOM 0 HB3 ASP A 59 5.132 23.733 2.944 1.00 1.00 H new ATOM 985 N CYS A 60 7.523 22.618 3.566 1.00 1.00 N ATOM 986 CA CYS A 60 8.415 22.844 4.691 1.00 1.00 C ATOM 987 C CYS A 60 7.786 23.868 5.638 1.00 1.00 C ATOM 988 O CYS A 60 8.536 24.561 6.340 1.00 1.00 O ATOM 989 CB CYS A 60 9.802 23.281 4.217 1.00 1.00 C ATOM 990 SG CYS A 60 11.157 22.172 4.700 1.00 1.00 S ATOM 0 H CYS A 60 6.955 21.775 3.645 1.00 1.00 H new ATOM 0 HA CYS A 60 8.553 21.909 5.235 1.00 1.00 H new ATOM 0 HB2 CYS A 60 9.789 23.364 3.130 1.00 1.00 H new ATOM 0 HB3 CYS A 60 10.008 24.276 4.611 1.00 1.00 H new ATOM 0 HG CYS A 60 10.681 20.988 4.948 1.00 1.00 H new ATOM 996 N PHE A 61 6.443 23.943 5.638 1.00 1.00 N ATOM 997 CA PHE A 61 5.723 24.874 6.491 1.00 1.00 C ATOM 998 C PHE A 61 5.956 24.501 7.956 1.00 1.00 C ATOM 999 O PHE A 61 6.844 23.677 8.221 1.00 1.00 O ATOM 1000 CB PHE A 61 4.222 24.823 6.145 1.00 1.00 C ATOM 1001 CG PHE A 61 3.801 23.612 5.323 1.00 1.00 C ATOM 1002 CD1 PHE A 61 4.089 22.304 5.777 1.00 1.00 C ATOM 1003 CD2 PHE A 61 3.123 23.791 4.095 1.00 1.00 C ATOM 1004 CE1 PHE A 61 3.701 21.185 5.010 1.00 1.00 C ATOM 1005 CE2 PHE A 61 2.735 22.671 3.329 1.00 1.00 C ATOM 1006 CZ PHE A 61 3.023 21.368 3.787 1.00 1.00 C ATOM 0 H PHE A 61 5.843 23.363 5.051 1.00 1.00 H new ATOM 0 HA PHE A 61 6.084 25.890 6.329 1.00 1.00 H new ATOM 0 HB2 PHE A 61 3.648 24.834 7.072 1.00 1.00 H new ATOM 0 HB3 PHE A 61 3.958 25.727 5.597 1.00 1.00 H new ATOM 0 HD1 PHE A 61 4.607 22.161 6.714 1.00 1.00 H new ATOM 0 HD2 PHE A 61 2.902 24.787 3.742 1.00 1.00 H new ATOM 0 HE1 PHE A 61 3.923 20.188 5.360 1.00 1.00 H new ATOM 0 HE2 PHE A 61 2.217 22.811 2.392 1.00 1.00 H new ATOM 0 HZ PHE A 61 2.724 20.511 3.201 1.00 1.00 H new ATOM 1016 N VAL A 62 5.168 25.104 8.864 1.00 1.00 N ATOM 1017 CA VAL A 62 5.288 24.837 10.287 1.00 1.00 C ATOM 1018 C VAL A 62 4.060 24.057 10.760 1.00 1.00 C ATOM 1019 O VAL A 62 2.961 24.320 10.250 1.00 1.00 O ATOM 1020 CB VAL A 62 5.494 26.147 11.050 1.00 1.00 C ATOM 1021 CG1 VAL A 62 6.913 26.235 11.616 1.00 1.00 C ATOM 1022 CG2 VAL A 62 5.183 27.354 10.161 1.00 1.00 C ATOM 0 H VAL A 62 4.442 25.780 8.625 1.00 1.00 H new ATOM 0 HA VAL A 62 6.163 24.219 10.487 1.00 1.00 H new ATOM 0 HB VAL A 62 4.797 26.159 11.888 1.00 1.00 H new ATOM 0 HG11 VAL A 62 7.033 27.176 12.153 1.00 1.00 H new ATOM 0 HG12 VAL A 62 7.085 25.403 12.299 1.00 1.00 H new ATOM 0 HG13 VAL A 62 7.634 26.189 10.800 1.00 1.00 H new ATOM 0 HG21 VAL A 62 5.337 28.272 10.727 1.00 1.00 H new ATOM 0 HG22 VAL A 62 5.844 27.347 9.294 1.00 1.00 H new ATOM 0 HG23 VAL A 62 4.146 27.303 9.828 1.00 1.00 H new ATOM 1032 N LYS A 63 4.266 23.128 11.711 1.00 1.00 N ATOM 1033 CA LYS A 63 3.184 22.320 12.246 1.00 1.00 C ATOM 1034 C LYS A 63 3.260 22.319 13.774 1.00 1.00 C ATOM 1035 O LYS A 63 4.344 22.591 14.310 1.00 1.00 O ATOM 1036 CB LYS A 63 3.206 20.920 11.628 1.00 1.00 C ATOM 1037 CG LYS A 63 4.531 20.213 11.919 1.00 1.00 C ATOM 1038 CD LYS A 63 5.267 19.872 10.621 1.00 1.00 C ATOM 1039 CE LYS A 63 6.774 20.085 10.774 1.00 1.00 C ATOM 1040 NZ LYS A 63 7.328 19.153 11.770 1.00 1.00 N ATOM 0 H LYS A 63 5.179 22.927 12.118 1.00 1.00 H new ATOM 0 HA LYS A 63 2.219 22.748 11.976 1.00 1.00 H new ATOM 0 HB2 LYS A 63 2.380 20.330 12.025 1.00 1.00 H new ATOM 0 HB3 LYS A 63 3.057 20.992 10.551 1.00 1.00 H new ATOM 0 HG2 LYS A 63 5.159 20.851 12.541 1.00 1.00 H new ATOM 0 HG3 LYS A 63 4.344 19.301 12.486 1.00 1.00 H new ATOM 0 HD2 LYS A 63 5.068 18.836 10.347 1.00 1.00 H new ATOM 0 HD3 LYS A 63 4.889 20.494 9.810 1.00 1.00 H new ATOM 0 HE2 LYS A 63 7.268 19.936 9.814 1.00 1.00 H new ATOM 0 HE3 LYS A 63 6.973 21.113 11.079 1.00 1.00 H new ATOM 0 HZ1 LYS A 63 8.367 19.203 11.753 1.00 1.00 H new ATOM 0 HZ2 LYS A 63 6.985 19.412 12.717 1.00 1.00 H new ATOM 0 HZ3 LYS A 63 7.025 18.184 11.545 1.00 1.00 H new ATOM 1054 N ILE A 64 2.127 22.018 14.433 1.00 1.00 N ATOM 1055 CA ILE A 64 2.067 21.983 15.884 1.00 1.00 C ATOM 1056 C ILE A 64 1.699 20.570 16.341 1.00 1.00 C ATOM 1057 O ILE A 64 0.528 20.346 16.682 1.00 1.00 O ATOM 1058 CB ILE A 64 1.119 23.065 16.407 1.00 1.00 C ATOM 1059 CG1 ILE A 64 1.145 24.300 15.505 1.00 1.00 C ATOM 1060 CG2 ILE A 64 1.434 23.412 17.864 1.00 1.00 C ATOM 1061 CD1 ILE A 64 -0.273 24.747 15.147 1.00 1.00 C ATOM 0 H ILE A 64 1.245 21.797 13.972 1.00 1.00 H new ATOM 0 HA ILE A 64 3.043 22.213 16.311 1.00 1.00 H new ATOM 0 HB ILE A 64 0.103 22.670 16.382 1.00 1.00 H new ATOM 0 HG12 ILE A 64 1.670 25.112 16.009 1.00 1.00 H new ATOM 0 HG13 ILE A 64 1.701 24.078 14.594 1.00 1.00 H new ATOM 0 HG21 ILE A 64 0.746 24.183 18.211 1.00 1.00 H new ATOM 0 HG22 ILE A 64 1.323 22.521 18.482 1.00 1.00 H new ATOM 0 HG23 ILE A 64 2.458 23.779 17.937 1.00 1.00 H new ATOM 0 HD11 ILE A 64 -0.226 25.627 14.505 1.00 1.00 H new ATOM 0 HD12 ILE A 64 -0.787 23.942 14.622 1.00 1.00 H new ATOM 0 HD13 ILE A 64 -0.818 24.992 16.058 1.00 1.00 H new ATOM 1073 N PRO A 65 2.690 19.660 16.340 1.00 1.00 N ATOM 1074 CA PRO A 65 2.508 18.276 16.744 1.00 1.00 C ATOM 1075 C PRO A 65 2.396 18.160 18.266 1.00 1.00 C ATOM 1076 O PRO A 65 2.666 17.072 18.796 1.00 1.00 O ATOM 1077 CB PRO A 65 3.712 17.540 16.180 1.00 1.00 C ATOM 1078 CG PRO A 65 4.752 18.608 15.882 1.00 1.00 C ATOM 1079 CD PRO A 65 4.059 19.960 15.931 1.00 1.00 C ATOM 0 HA PRO A 65 1.581 17.845 16.365 1.00 1.00 H new ATOM 0 HB2 PRO A 65 4.094 16.811 16.895 1.00 1.00 H new ATOM 0 HB3 PRO A 65 3.446 16.991 15.277 1.00 1.00 H new ATOM 0 HG2 PRO A 65 5.561 18.567 16.611 1.00 1.00 H new ATOM 0 HG3 PRO A 65 5.198 18.443 14.901 1.00 1.00 H new ATOM 0 HD2 PRO A 65 4.546 20.629 16.640 1.00 1.00 H new ATOM 0 HD3 PRO A 65 4.083 20.453 14.959 1.00 1.00 H new ATOM 1087 N ARG A 66 2.007 19.265 18.927 1.00 1.00 N ATOM 1088 CA ARG A 66 1.862 19.286 20.373 1.00 1.00 C ATOM 1089 C ARG A 66 1.518 20.706 20.826 1.00 1.00 C ATOM 1090 O ARG A 66 2.393 21.369 21.403 1.00 1.00 O ATOM 1091 CB ARG A 66 3.142 18.830 21.075 1.00 1.00 C ATOM 1092 CG ARG A 66 2.839 18.298 22.477 1.00 1.00 C ATOM 1093 CD ARG A 66 3.250 16.830 22.607 1.00 1.00 C ATOM 1094 NE ARG A 66 2.223 15.961 21.988 1.00 1.00 N ATOM 1095 CZ ARG A 66 2.112 14.636 22.223 1.00 1.00 C ATOM 1096 NH1 ARG A 66 2.974 14.051 23.066 1.00 1.00 N ATOM 1097 NH2 ARG A 66 1.153 13.917 21.623 1.00 1.00 N ATOM 0 H ARG A 66 1.790 20.151 18.471 1.00 1.00 H new ATOM 0 HA ARG A 66 1.063 18.595 20.642 1.00 1.00 H new ATOM 0 HB2 ARG A 66 3.628 18.053 20.485 1.00 1.00 H new ATOM 0 HB3 ARG A 66 3.841 19.664 21.142 1.00 1.00 H new ATOM 0 HG2 ARG A 66 3.369 18.895 23.219 1.00 1.00 H new ATOM 0 HG3 ARG A 66 1.774 18.401 22.687 1.00 1.00 H new ATOM 0 HD2 ARG A 66 4.214 16.669 22.124 1.00 1.00 H new ATOM 0 HD3 ARG A 66 3.373 16.570 23.658 1.00 1.00 H new ATOM 0 HE ARG A 66 1.558 16.390 21.344 1.00 1.00 H new ATOM 0 HH11 ARG A 66 3.700 14.606 23.519 1.00 1.00 H new ATOM 0 HH12 ARG A 66 2.904 13.051 23.254 1.00 1.00 H new ATOM 0 HH21 ARG A 66 0.500 14.370 20.984 1.00 1.00 H new ATOM 0 HH22 ARG A 66 1.076 12.916 21.806 1.00 1.00 H new ATOM 1111 N GLU A 67 0.272 21.138 20.561 1.00 1.00 N ATOM 1112 CA GLU A 67 -0.179 22.467 20.939 1.00 1.00 C ATOM 1113 C GLU A 67 -0.739 22.425 22.362 1.00 1.00 C ATOM 1114 O GLU A 67 -1.625 21.598 22.623 1.00 1.00 O ATOM 1115 CB GLU A 67 -1.219 23.008 19.956 1.00 1.00 C ATOM 1116 CG GLU A 67 -1.715 24.389 20.388 1.00 1.00 C ATOM 1117 CD GLU A 67 -0.835 25.496 19.803 1.00 1.00 C ATOM 1118 OE1 GLU A 67 0.428 25.369 20.038 1.00 1.00 O ATOM 1119 OE2 GLU A 67 -1.349 26.423 19.160 1.00 1.00 O ATOM 0 H GLU A 67 -0.434 20.576 20.085 1.00 1.00 H new ATOM 0 HA GLU A 67 0.672 23.147 20.907 1.00 1.00 H new ATOM 0 HB2 GLU A 67 -0.784 23.069 18.958 1.00 1.00 H new ATOM 0 HB3 GLU A 67 -2.061 22.318 19.895 1.00 1.00 H new ATOM 0 HG2 GLU A 67 -2.745 24.528 20.061 1.00 1.00 H new ATOM 0 HG3 GLU A 67 -1.714 24.456 21.476 1.00 1.00 H new ATOM 1204 N GLY A 74 -6.675 18.176 15.592 1.00 1.00 N ATOM 1205 CA GLY A 74 -5.248 17.924 15.483 1.00 1.00 C ATOM 1206 C GLY A 74 -4.488 19.239 15.661 1.00 1.00 C ATOM 1207 O GLY A 74 -4.449 19.750 16.790 1.00 1.00 O ATOM 0 HA2 GLY A 74 -4.935 17.204 16.240 1.00 1.00 H new ATOM 0 HA3 GLY A 74 -5.017 17.486 14.512 1.00 1.00 H new ATOM 1211 N ASN A 75 -3.907 19.753 14.562 1.00 1.00 N ATOM 1212 CA ASN A 75 -3.156 20.996 14.597 1.00 1.00 C ATOM 1213 C ASN A 75 -3.434 21.791 13.319 1.00 1.00 C ATOM 1214 O ASN A 75 -4.537 21.659 12.771 1.00 1.00 O ATOM 1215 CB ASN A 75 -1.651 20.728 14.669 1.00 1.00 C ATOM 1216 CG ASN A 75 -1.366 19.371 15.315 1.00 1.00 C ATOM 1217 OD1 ASN A 75 -1.966 18.988 16.306 1.00 1.00 O ATOM 1218 ND2 ASN A 75 -0.420 18.667 14.700 1.00 1.00 N ATOM 0 H ASN A 75 -3.950 19.316 13.641 1.00 1.00 H new ATOM 0 HA ASN A 75 -3.466 21.553 15.481 1.00 1.00 H new ATOM 0 HB2 ASN A 75 -1.225 20.754 13.666 1.00 1.00 H new ATOM 0 HB3 ASN A 75 -1.165 21.517 15.242 1.00 1.00 H new ATOM 0 HD21 ASN A 75 -0.157 17.747 15.054 1.00 1.00 H new ATOM 0 HD22 ASN A 75 0.043 19.047 13.874 1.00 1.00 H new ATOM 1225 N TYR A 76 -2.444 22.588 12.879 1.00 1.00 N ATOM 1226 CA TYR A 76 -2.646 23.373 11.673 1.00 1.00 C ATOM 1227 C TYR A 76 -1.292 23.649 11.016 1.00 1.00 C ATOM 1228 O TYR A 76 -0.363 24.039 11.739 1.00 1.00 O ATOM 1229 CB TYR A 76 -3.396 24.675 12.009 1.00 1.00 C ATOM 1230 CG TYR A 76 -3.435 25.017 13.493 1.00 1.00 C ATOM 1231 CD1 TYR A 76 -4.297 24.306 14.359 1.00 1.00 C ATOM 1232 CD2 TYR A 76 -2.609 26.039 14.014 1.00 1.00 C ATOM 1233 CE1 TYR A 76 -4.335 24.617 15.735 1.00 1.00 C ATOM 1234 CE2 TYR A 76 -2.646 26.350 15.389 1.00 1.00 C ATOM 1235 CZ TYR A 76 -3.510 25.639 16.252 1.00 1.00 C ATOM 1236 OH TYR A 76 -3.550 25.938 17.584 1.00 1.00 O ATOM 0 H TYR A 76 -1.534 22.697 13.327 1.00 1.00 H new ATOM 0 HA TYR A 76 -3.260 22.817 10.965 1.00 1.00 H new ATOM 0 HB2 TYR A 76 -2.926 25.499 11.472 1.00 1.00 H new ATOM 0 HB3 TYR A 76 -4.419 24.596 11.640 1.00 1.00 H new ATOM 0 HD1 TYR A 76 -4.928 23.523 13.966 1.00 1.00 H new ATOM 0 HD2 TYR A 76 -1.947 26.584 13.357 1.00 1.00 H new ATOM 0 HE1 TYR A 76 -4.996 24.073 16.393 1.00 1.00 H new ATOM 0 HE2 TYR A 76 -2.014 27.132 15.783 1.00 1.00 H new ATOM 0 HH TYR A 76 -2.638 26.066 17.918 1.00 1.00 H new ATOM 1246 N TRP A 77 -1.203 23.439 9.691 1.00 1.00 N ATOM 1247 CA TRP A 77 0.033 23.657 8.958 1.00 1.00 C ATOM 1248 C TRP A 77 -0.137 24.858 8.026 1.00 1.00 C ATOM 1249 O TRP A 77 -1.166 24.930 7.339 1.00 1.00 O ATOM 1250 CB TRP A 77 0.444 22.381 8.220 1.00 1.00 C ATOM 1251 CG TRP A 77 0.626 21.166 9.132 1.00 1.00 C ATOM 1252 CD1 TRP A 77 -0.051 20.863 10.249 1.00 1.00 C ATOM 1253 CD2 TRP A 77 1.578 20.096 8.958 1.00 1.00 C ATOM 1254 NE1 TRP A 77 0.394 19.681 10.805 1.00 1.00 N ATOM 1255 CE2 TRP A 77 1.416 19.200 9.995 1.00 1.00 C ATOM 1256 CE3 TRP A 77 2.544 19.891 7.958 1.00 1.00 C ATOM 1257 CZ2 TRP A 77 2.185 18.038 10.132 1.00 1.00 C ATOM 1258 CZ3 TRP A 77 3.305 18.726 8.109 1.00 1.00 C ATOM 1259 CH2 TRP A 77 3.154 17.814 9.147 1.00 1.00 C ATOM 0 H TRP A 77 -1.981 23.118 9.114 1.00 1.00 H new ATOM 0 HA TRP A 77 0.845 23.890 9.646 1.00 1.00 H new ATOM 0 HB2 TRP A 77 -0.311 22.149 7.469 1.00 1.00 H new ATOM 0 HB3 TRP A 77 1.377 22.566 7.688 1.00 1.00 H new ATOM 0 HD1 TRP A 77 -0.845 21.468 10.662 1.00 1.00 H new ATOM 0 HE1 TRP A 77 0.038 19.241 11.654 1.00 1.00 H new ATOM 0 HE3 TRP A 77 2.688 20.578 7.137 1.00 1.00 H new ATOM 0 HZ2 TRP A 77 2.038 17.352 10.953 1.00 1.00 H new ATOM 0 HZ3 TRP A 77 4.063 18.521 7.367 1.00 1.00 H new ATOM 0 HH2 TRP A 77 3.782 16.936 9.193 1.00 1.00 H new ATOM 1270 N THR A 78 0.859 25.762 8.022 1.00 1.00 N ATOM 1271 CA THR A 78 0.820 26.947 7.182 1.00 1.00 C ATOM 1272 C THR A 78 1.765 26.757 5.994 1.00 1.00 C ATOM 1273 O THR A 78 1.872 25.624 5.502 1.00 1.00 O ATOM 1274 CB THR A 78 1.161 28.167 8.040 1.00 1.00 C ATOM 1275 OG1 THR A 78 2.452 27.871 8.565 1.00 1.00 O ATOM 1276 CG2 THR A 78 0.271 28.277 9.280 1.00 1.00 C ATOM 0 H THR A 78 1.698 25.684 8.597 1.00 1.00 H new ATOM 0 HA THR A 78 -0.174 27.110 6.767 1.00 1.00 H new ATOM 0 HB THR A 78 1.062 29.072 7.441 1.00 1.00 H new ATOM 0 HG1 THR A 78 2.947 28.705 8.707 1.00 1.00 H new ATOM 0 HG21 THR A 78 0.554 29.159 9.854 1.00 1.00 H new ATOM 0 HG22 THR A 78 -0.771 28.363 8.973 1.00 1.00 H new ATOM 0 HG23 THR A 78 0.395 27.387 9.897 1.00 1.00 H new ATOM 1284 N LEU A 79 2.420 27.850 5.564 1.00 1.00 N ATOM 1285 CA LEU A 79 3.346 27.803 4.446 1.00 1.00 C ATOM 1286 C LEU A 79 4.536 28.720 4.735 1.00 1.00 C ATOM 1287 O LEU A 79 4.312 29.910 5.003 1.00 1.00 O ATOM 1288 CB LEU A 79 2.623 28.128 3.137 1.00 1.00 C ATOM 1289 CG LEU A 79 2.566 27.001 2.104 1.00 1.00 C ATOM 1290 CD1 LEU A 79 1.259 26.214 2.222 1.00 1.00 C ATOM 1291 CD2 LEU A 79 2.783 27.542 0.690 1.00 1.00 C ATOM 0 H LEU A 79 2.317 28.774 5.983 1.00 1.00 H new ATOM 0 HA LEU A 79 3.743 26.795 4.323 1.00 1.00 H new ATOM 0 HB2 LEU A 79 1.602 28.429 3.374 1.00 1.00 H new ATOM 0 HB3 LEU A 79 3.111 28.989 2.680 1.00 1.00 H new ATOM 0 HG LEU A 79 3.380 26.306 2.312 1.00 1.00 H new ATOM 0 HD11 LEU A 79 1.244 25.419 1.476 1.00 1.00 H new ATOM 0 HD12 LEU A 79 1.185 25.778 3.218 1.00 1.00 H new ATOM 0 HD13 LEU A 79 0.415 26.883 2.055 1.00 1.00 H new ATOM 0 HD21 LEU A 79 2.738 26.720 -0.025 1.00 1.00 H new ATOM 0 HD22 LEU A 79 2.006 28.270 0.456 1.00 1.00 H new ATOM 0 HD23 LEU A 79 3.760 28.022 0.630 1.00 1.00 H new ATOM 1303 N ASP A 80 5.757 28.160 4.676 1.00 1.00 N ATOM 1304 CA ASP A 80 6.968 28.922 4.930 1.00 1.00 C ATOM 1305 C ASP A 80 7.307 29.759 3.695 1.00 1.00 C ATOM 1306 O ASP A 80 7.514 30.972 3.843 1.00 1.00 O ATOM 1307 CB ASP A 80 8.152 27.996 5.214 1.00 1.00 C ATOM 1308 CG ASP A 80 8.781 28.157 6.599 1.00 1.00 C ATOM 1309 OD1 ASP A 80 8.442 29.229 7.231 1.00 1.00 O ATOM 1310 OD2 ASP A 80 9.556 27.301 7.052 1.00 1.00 O ATOM 0 H ASP A 80 5.920 27.178 4.453 1.00 1.00 H new ATOM 0 HA ASP A 80 6.791 29.557 5.798 1.00 1.00 H new ATOM 0 HB2 ASP A 80 7.822 26.964 5.099 1.00 1.00 H new ATOM 0 HB3 ASP A 80 8.920 28.171 4.460 1.00 1.00 H new