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 30 CYS SG : rot -16:sc= -1.65 USER MOD Set 1.2: A 48 GLN :FLIP amide:sc= -2.27 F(o=-5.6,f=-3.9) USER MOD Set 2.1: A 8 TYR OH : rot 63:sc= -0.473! USER MOD Set 2.2: A 50 SER OG : rot -142:sc= 0.0472 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot -85:sc= -1.56 USER MOD Single : A 14 MET CE :methyl 169:sc= -2.41 (180deg=-2.91) USER MOD Single : A 18 GLN : amide:sc= -0.229 X(o=-0.23,f=-0.0052) USER MOD Single : A 19 SER OG : rot 34:sc= -2.88 USER MOD Single : A 21 GLN : amide:sc= -0.221 K(o=-0.22,f=-1.2) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= -0.383 USER MOD Single : A 35 ASN : amide:sc= -2.72 X(o=-2.7,f=-2.9!) 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 49 ASN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 53 HIS :FLIP no HD1:sc= -0.443 F(o=-1.5,f=-0.44) USER MOD Single : A 54 ASN : amide:sc= -9.11! C(o=-9.1!,f=-12!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN :FLIP amide:sc= -4.56! C(o=-6.4!,f=-4.6!) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -3.9! C(o=-3.9!,f=-13!) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= -1.77! USER MOD ----------------------------------------------------------------- ATOM 105 N SER A 7 -7.479 2.890 -2.481 1.00 1.00 N ATOM 106 CA SER A 7 -8.250 4.068 -2.122 1.00 1.00 C ATOM 107 C SER A 7 -9.046 3.783 -0.848 1.00 1.00 C ATOM 108 O SER A 7 -9.596 2.678 -0.731 1.00 1.00 O ATOM 109 CB SER A 7 -9.191 4.488 -3.253 1.00 1.00 C ATOM 110 OG SER A 7 -8.591 5.446 -4.120 1.00 1.00 O ATOM 0 HA SER A 7 -7.559 4.893 -1.947 1.00 1.00 H new ATOM 0 HB2 SER A 7 -9.480 3.609 -3.829 1.00 1.00 H new ATOM 0 HB3 SER A 7 -10.104 4.905 -2.828 1.00 1.00 H new ATOM 0 HG SER A 7 -9.223 5.687 -4.829 1.00 1.00 H new ATOM 116 N TYR A 8 -9.092 4.768 0.067 1.00 1.00 N ATOM 117 CA TYR A 8 -9.828 4.558 1.302 1.00 1.00 C ATOM 118 C TYR A 8 -11.327 4.699 1.027 1.00 1.00 C ATOM 119 O TYR A 8 -12.033 3.684 1.117 1.00 1.00 O ATOM 120 CB TYR A 8 -9.348 5.547 2.380 1.00 1.00 C ATOM 121 CG TYR A 8 -8.314 4.979 3.343 1.00 1.00 C ATOM 122 CD1 TYR A 8 -8.650 3.907 4.202 1.00 1.00 C ATOM 123 CD2 TYR A 8 -7.012 5.527 3.386 1.00 1.00 C ATOM 124 CE1 TYR A 8 -7.689 3.386 5.095 1.00 1.00 C ATOM 125 CE2 TYR A 8 -6.051 5.005 4.278 1.00 1.00 C ATOM 126 CZ TYR A 8 -6.389 3.934 5.133 1.00 1.00 C ATOM 127 OH TYR A 8 -5.456 3.432 5.995 1.00 1.00 O ATOM 0 H TYR A 8 -8.644 5.679 -0.028 1.00 1.00 H new ATOM 0 HA TYR A 8 -9.644 3.552 1.679 1.00 1.00 H new ATOM 0 HB2 TYR A 8 -8.925 6.423 1.889 1.00 1.00 H new ATOM 0 HB3 TYR A 8 -10.211 5.888 2.953 1.00 1.00 H new ATOM 0 HD1 TYR A 8 -9.644 3.486 4.175 1.00 1.00 H new ATOM 0 HD2 TYR A 8 -6.752 6.348 2.734 1.00 1.00 H new ATOM 0 HE1 TYR A 8 -7.949 2.567 5.750 1.00 1.00 H new ATOM 0 HE2 TYR A 8 -5.057 5.425 4.306 1.00 1.00 H new ATOM 0 HH TYR A 8 -5.266 2.499 5.764 1.00 1.00 H new ATOM 137 N ILE A 9 -11.777 5.927 0.714 1.00 1.00 N ATOM 138 CA ILE A 9 -13.181 6.186 0.442 1.00 1.00 C ATOM 139 C ILE A 9 -13.714 5.123 -0.521 1.00 1.00 C ATOM 140 O ILE A 9 -14.875 4.718 -0.368 1.00 1.00 O ATOM 141 CB ILE A 9 -13.374 7.620 -0.056 1.00 1.00 C ATOM 142 CG1 ILE A 9 -12.937 7.756 -1.516 1.00 1.00 C ATOM 143 CG2 ILE A 9 -12.655 8.618 0.854 1.00 1.00 C ATOM 144 CD1 ILE A 9 -11.411 7.760 -1.633 1.00 1.00 C ATOM 0 H ILE A 9 -11.178 6.750 0.646 1.00 1.00 H new ATOM 0 HA ILE A 9 -13.767 6.109 1.358 1.00 1.00 H new ATOM 0 HB ILE A 9 -14.437 7.856 -0.015 1.00 1.00 H new ATOM 0 HG12 ILE A 9 -13.348 6.933 -2.101 1.00 1.00 H new ATOM 0 HG13 ILE A 9 -13.340 8.678 -1.936 1.00 1.00 H new ATOM 0 HG21 ILE A 9 -12.808 9.629 0.478 1.00 1.00 H new ATOM 0 HG22 ILE A 9 -13.055 8.543 1.865 1.00 1.00 H new ATOM 0 HG23 ILE A 9 -11.588 8.394 0.869 1.00 1.00 H new ATOM 0 HD11 ILE A 9 -11.127 7.858 -2.681 1.00 1.00 H new ATOM 0 HD12 ILE A 9 -11.005 8.598 -1.067 1.00 1.00 H new ATOM 0 HD13 ILE A 9 -11.013 6.827 -1.235 1.00 1.00 H new ATOM 156 N ALA A 10 -12.869 4.700 -1.479 1.00 1.00 N ATOM 157 CA ALA A 10 -13.253 3.695 -2.455 1.00 1.00 C ATOM 158 C ALA A 10 -13.397 2.341 -1.757 1.00 1.00 C ATOM 159 O ALA A 10 -14.244 1.543 -2.185 1.00 1.00 O ATOM 160 CB ALA A 10 -12.138 3.528 -3.489 1.00 1.00 C ATOM 0 H ALA A 10 -11.916 5.047 -1.588 1.00 1.00 H new ATOM 0 HA ALA A 10 -14.186 4.008 -2.924 1.00 1.00 H new ATOM 0 HB1 ALA A 10 -12.429 2.773 -4.220 1.00 1.00 H new ATOM 0 HB2 ALA A 10 -11.967 4.477 -3.996 1.00 1.00 H new ATOM 0 HB3 ALA A 10 -11.222 3.214 -2.989 1.00 1.00 H new ATOM 166 N LEU A 11 -12.580 2.112 -0.713 1.00 1.00 N ATOM 167 CA LEU A 11 -12.616 0.867 0.035 1.00 1.00 C ATOM 168 C LEU A 11 -13.902 0.811 0.862 1.00 1.00 C ATOM 169 O LEU A 11 -14.612 -0.202 0.780 1.00 1.00 O ATOM 170 CB LEU A 11 -11.342 0.704 0.867 1.00 1.00 C ATOM 171 CG LEU A 11 -10.476 -0.513 0.536 1.00 1.00 C ATOM 172 CD1 LEU A 11 -11.307 -1.798 0.549 1.00 1.00 C ATOM 173 CD2 LEU A 11 -9.742 -0.319 -0.792 1.00 1.00 C ATOM 0 H LEU A 11 -11.889 2.783 -0.377 1.00 1.00 H new ATOM 0 HA LEU A 11 -12.636 0.015 -0.645 1.00 1.00 H new ATOM 0 HB2 LEU A 11 -10.735 1.601 0.745 1.00 1.00 H new ATOM 0 HB3 LEU A 11 -11.623 0.650 1.919 1.00 1.00 H new ATOM 0 HG LEU A 11 -9.717 -0.613 1.312 1.00 1.00 H new ATOM 0 HD11 LEU A 11 -10.667 -2.648 0.311 1.00 1.00 H new ATOM 0 HD12 LEU A 11 -11.744 -1.939 1.538 1.00 1.00 H new ATOM 0 HD13 LEU A 11 -12.103 -1.724 -0.192 1.00 1.00 H new ATOM 0 HD21 LEU A 11 -9.134 -1.198 -1.003 1.00 1.00 H new ATOM 0 HD22 LEU A 11 -10.469 -0.179 -1.592 1.00 1.00 H new ATOM 0 HD23 LEU A 11 -9.100 0.559 -0.728 1.00 1.00 H new ATOM 185 N ILE A 12 -14.172 1.882 1.629 1.00 1.00 N ATOM 186 CA ILE A 12 -15.361 1.954 2.461 1.00 1.00 C ATOM 187 C ILE A 12 -16.604 1.811 1.581 1.00 1.00 C ATOM 188 O ILE A 12 -17.437 0.940 1.873 1.00 1.00 O ATOM 189 CB ILE A 12 -15.348 3.230 3.305 1.00 1.00 C ATOM 190 CG1 ILE A 12 -14.427 3.076 4.517 1.00 1.00 C ATOM 191 CG2 ILE A 12 -16.767 3.633 3.711 1.00 1.00 C ATOM 192 CD1 ILE A 12 -13.034 2.607 4.091 1.00 1.00 C ATOM 0 H ILE A 12 -13.574 2.706 1.682 1.00 1.00 H new ATOM 0 HA ILE A 12 -15.378 1.129 3.173 1.00 1.00 H new ATOM 0 HB ILE A 12 -14.945 4.039 2.695 1.00 1.00 H new ATOM 0 HG12 ILE A 12 -14.349 4.028 5.042 1.00 1.00 H new ATOM 0 HG13 ILE A 12 -14.858 2.360 5.217 1.00 1.00 H new ATOM 0 HG21 ILE A 12 -16.729 4.543 4.310 1.00 1.00 H new ATOM 0 HG22 ILE A 12 -17.364 3.812 2.817 1.00 1.00 H new ATOM 0 HG23 ILE A 12 -17.219 2.832 4.296 1.00 1.00 H new ATOM 0 HD11 ILE A 12 -12.399 2.506 4.971 1.00 1.00 H new ATOM 0 HD12 ILE A 12 -13.113 1.644 3.587 1.00 1.00 H new ATOM 0 HD13 ILE A 12 -12.596 3.337 3.410 1.00 1.00 H new ATOM 204 N THR A 13 -16.703 2.654 0.538 1.00 1.00 N ATOM 205 CA THR A 13 -17.834 2.622 -0.374 1.00 1.00 C ATOM 206 C THR A 13 -18.179 1.167 -0.699 1.00 1.00 C ATOM 207 O THR A 13 -19.373 0.860 -0.832 1.00 1.00 O ATOM 208 CB THR A 13 -17.489 3.455 -1.610 1.00 1.00 C ATOM 209 OG1 THR A 13 -16.196 2.993 -1.991 1.00 1.00 O ATOM 210 CG2 THR A 13 -17.274 4.933 -1.278 1.00 1.00 C ATOM 0 H THR A 13 -16.005 3.364 0.315 1.00 1.00 H new ATOM 0 HA THR A 13 -18.724 3.062 0.075 1.00 1.00 H new ATOM 0 HB THR A 13 -18.288 3.361 -2.346 1.00 1.00 H new ATOM 0 HG1 THR A 13 -15.513 3.478 -1.483 1.00 1.00 H new ATOM 0 HG21 THR A 13 -17.032 5.479 -2.190 1.00 1.00 H new ATOM 0 HG22 THR A 13 -18.184 5.344 -0.840 1.00 1.00 H new ATOM 0 HG23 THR A 13 -16.453 5.031 -0.568 1.00 1.00 H new ATOM 218 N MET A 14 -17.145 0.315 -0.819 1.00 1.00 N ATOM 219 CA MET A 14 -17.339 -1.092 -1.126 1.00 1.00 C ATOM 220 C MET A 14 -17.717 -1.842 0.153 1.00 1.00 C ATOM 221 O MET A 14 -18.566 -2.742 0.080 1.00 1.00 O ATOM 222 CB MET A 14 -16.057 -1.691 -1.709 1.00 1.00 C ATOM 223 CG MET A 14 -16.376 -2.827 -2.682 1.00 1.00 C ATOM 224 SD MET A 14 -15.941 -4.426 -1.937 1.00 1.00 S ATOM 225 CE MET A 14 -14.134 -4.376 -2.115 1.00 1.00 C ATOM 0 H MET A 14 -16.169 0.588 -0.706 1.00 1.00 H new ATOM 0 HA MET A 14 -18.138 -1.188 -1.861 1.00 1.00 H new ATOM 0 HB2 MET A 14 -15.490 -0.915 -2.224 1.00 1.00 H new ATOM 0 HB3 MET A 14 -15.426 -2.065 -0.902 1.00 1.00 H new ATOM 0 HG2 MET A 14 -17.436 -2.812 -2.937 1.00 1.00 H new ATOM 0 HG3 MET A 14 -15.823 -2.687 -3.611 1.00 1.00 H new ATOM 0 HE1 MET A 14 -13.689 -5.186 -1.538 1.00 1.00 H new ATOM 0 HE2 MET A 14 -13.869 -4.491 -3.166 1.00 1.00 H new ATOM 0 HE3 MET A 14 -13.759 -3.421 -1.748 1.00 1.00 H new ATOM 235 N ALA A 15 -17.090 -1.462 1.281 1.00 1.00 N ATOM 236 CA ALA A 15 -17.359 -2.094 2.562 1.00 1.00 C ATOM 237 C ALA A 15 -18.823 -1.864 2.941 1.00 1.00 C ATOM 238 O ALA A 15 -19.482 -2.826 3.360 1.00 1.00 O ATOM 239 CB ALA A 15 -16.522 -1.422 3.653 1.00 1.00 C ATOM 0 H ALA A 15 -16.394 -0.717 1.319 1.00 1.00 H new ATOM 0 HA ALA A 15 -17.126 -3.156 2.480 1.00 1.00 H new ATOM 0 HB1 ALA A 15 -16.725 -1.898 4.612 1.00 1.00 H new ATOM 0 HB2 ALA A 15 -15.463 -1.525 3.414 1.00 1.00 H new ATOM 0 HB3 ALA A 15 -16.780 -0.365 3.710 1.00 1.00 H new ATOM 245 N ILE A 16 -19.295 -0.613 2.790 1.00 1.00 N ATOM 246 CA ILE A 16 -20.667 -0.264 3.115 1.00 1.00 C ATOM 247 C ILE A 16 -21.615 -1.001 2.166 1.00 1.00 C ATOM 248 O ILE A 16 -22.618 -1.550 2.644 1.00 1.00 O ATOM 249 CB ILE A 16 -20.849 1.255 3.108 1.00 1.00 C ATOM 250 CG1 ILE A 16 -19.763 1.942 3.938 1.00 1.00 C ATOM 251 CG2 ILE A 16 -22.255 1.641 3.571 1.00 1.00 C ATOM 252 CD1 ILE A 16 -19.654 1.309 5.327 1.00 1.00 C ATOM 0 H ILE A 16 -18.735 0.166 2.443 1.00 1.00 H new ATOM 0 HA ILE A 16 -20.913 -0.587 4.127 1.00 1.00 H new ATOM 0 HB ILE A 16 -20.740 1.607 2.082 1.00 1.00 H new ATOM 0 HG12 ILE A 16 -18.805 1.867 3.424 1.00 1.00 H new ATOM 0 HG13 ILE A 16 -19.991 3.004 4.035 1.00 1.00 H new ATOM 0 HG21 ILE A 16 -22.358 2.726 3.557 1.00 1.00 H new ATOM 0 HG22 ILE A 16 -22.993 1.198 2.902 1.00 1.00 H new ATOM 0 HG23 ILE A 16 -22.418 1.275 4.585 1.00 1.00 H new ATOM 0 HD11 ILE A 16 -18.875 1.815 5.897 1.00 1.00 H new ATOM 0 HD12 ILE A 16 -20.607 1.407 5.847 1.00 1.00 H new ATOM 0 HD13 ILE A 16 -19.402 0.253 5.227 1.00 1.00 H new ATOM 264 N LEU A 17 -21.284 -0.999 0.863 1.00 1.00 N ATOM 265 CA LEU A 17 -22.099 -1.663 -0.140 1.00 1.00 C ATOM 266 C LEU A 17 -22.100 -3.170 0.126 1.00 1.00 C ATOM 267 O LEU A 17 -23.174 -3.783 0.041 1.00 1.00 O ATOM 268 CB LEU A 17 -21.630 -1.287 -1.547 1.00 1.00 C ATOM 269 CG LEU A 17 -21.864 -2.337 -2.635 1.00 1.00 C ATOM 270 CD1 LEU A 17 -22.322 -1.682 -3.939 1.00 1.00 C ATOM 271 CD2 LEU A 17 -20.620 -3.205 -2.836 1.00 1.00 C ATOM 0 H LEU A 17 -20.453 -0.540 0.490 1.00 1.00 H new ATOM 0 HA LEU A 17 -23.134 -1.326 -0.074 1.00 1.00 H new ATOM 0 HB2 LEU A 17 -22.135 -0.367 -1.843 1.00 1.00 H new ATOM 0 HB3 LEU A 17 -20.563 -1.066 -1.506 1.00 1.00 H new ATOM 0 HG LEU A 17 -22.667 -2.996 -2.306 1.00 1.00 H new ATOM 0 HD11 LEU A 17 -22.481 -2.450 -4.696 1.00 1.00 H new ATOM 0 HD12 LEU A 17 -23.254 -1.143 -3.768 1.00 1.00 H new ATOM 0 HD13 LEU A 17 -21.558 -0.985 -4.284 1.00 1.00 H new ATOM 0 HD21 LEU A 17 -20.813 -3.943 -3.615 1.00 1.00 H new ATOM 0 HD22 LEU A 17 -19.781 -2.575 -3.133 1.00 1.00 H new ATOM 0 HD23 LEU A 17 -20.378 -3.716 -1.904 1.00 1.00 H new ATOM 283 N GLN A 18 -20.916 -3.727 0.437 1.00 1.00 N ATOM 284 CA GLN A 18 -20.782 -5.148 0.712 1.00 1.00 C ATOM 285 C GLN A 18 -21.826 -5.562 1.751 1.00 1.00 C ATOM 286 O GLN A 18 -22.154 -6.756 1.813 1.00 1.00 O ATOM 287 CB GLN A 18 -19.370 -5.498 1.184 1.00 1.00 C ATOM 288 CG GLN A 18 -19.240 -5.330 2.699 1.00 1.00 C ATOM 289 CD GLN A 18 -19.093 -6.687 3.390 1.00 1.00 C ATOM 290 OE1 GLN A 18 -18.136 -7.416 3.187 1.00 1.00 O ATOM 291 NE2 GLN A 18 -20.091 -6.983 4.217 1.00 1.00 N ATOM 0 H GLN A 18 -20.043 -3.204 0.501 1.00 1.00 H new ATOM 0 HA GLN A 18 -20.954 -5.701 -0.211 1.00 1.00 H new ATOM 0 HB2 GLN A 18 -19.135 -6.526 0.907 1.00 1.00 H new ATOM 0 HB3 GLN A 18 -18.645 -4.858 0.680 1.00 1.00 H new ATOM 0 HG2 GLN A 18 -18.375 -4.706 2.927 1.00 1.00 H new ATOM 0 HG3 GLN A 18 -20.117 -4.813 3.088 1.00 1.00 H new ATOM 0 HE21 GLN A 18 -20.862 -6.327 4.341 1.00 1.00 H new ATOM 0 HE22 GLN A 18 -20.085 -7.866 4.728 1.00 1.00 H new ATOM 300 N SER A 19 -22.319 -4.585 2.533 1.00 1.00 N ATOM 301 CA SER A 19 -23.315 -4.847 3.558 1.00 1.00 C ATOM 302 C SER A 19 -24.590 -4.066 3.235 1.00 1.00 C ATOM 303 O SER A 19 -24.826 -3.032 3.876 1.00 1.00 O ATOM 304 CB SER A 19 -22.800 -4.472 4.949 1.00 1.00 C ATOM 305 OG SER A 19 -21.960 -3.321 4.914 1.00 1.00 O ATOM 0 H SER A 19 -22.035 -3.608 2.465 1.00 1.00 H new ATOM 0 HA SER A 19 -23.530 -5.915 3.566 1.00 1.00 H new ATOM 0 HB2 SER A 19 -23.646 -4.284 5.610 1.00 1.00 H new ATOM 0 HB3 SER A 19 -22.247 -5.312 5.370 1.00 1.00 H new ATOM 0 HG SER A 19 -22.276 -2.706 4.219 1.00 1.00 H new ATOM 311 N PRO A 20 -25.374 -4.568 2.264 1.00 1.00 N ATOM 312 CA PRO A 20 -26.618 -3.949 1.837 1.00 1.00 C ATOM 313 C PRO A 20 -27.728 -4.185 2.863 1.00 1.00 C ATOM 314 O PRO A 20 -28.893 -4.297 2.456 1.00 1.00 O ATOM 315 CB PRO A 20 -26.920 -4.567 0.482 1.00 1.00 C ATOM 316 CG PRO A 20 -26.091 -5.840 0.410 1.00 1.00 C ATOM 317 CD PRO A 20 -25.064 -5.791 1.529 1.00 1.00 C ATOM 0 HA PRO A 20 -26.543 -2.865 1.757 1.00 1.00 H new ATOM 0 HB2 PRO A 20 -27.983 -4.787 0.381 1.00 1.00 H new ATOM 0 HB3 PRO A 20 -26.658 -3.884 -0.326 1.00 1.00 H new ATOM 0 HG2 PRO A 20 -26.729 -6.717 0.516 1.00 1.00 H new ATOM 0 HG3 PRO A 20 -25.597 -5.920 -0.558 1.00 1.00 H new ATOM 0 HD2 PRO A 20 -25.137 -6.668 2.172 1.00 1.00 H new ATOM 0 HD3 PRO A 20 -24.048 -5.769 1.134 1.00 1.00 H new ATOM 325 N GLN A 21 -27.351 -4.255 4.153 1.00 1.00 N ATOM 326 CA GLN A 21 -28.309 -4.475 5.223 1.00 1.00 C ATOM 327 C GLN A 21 -28.214 -3.327 6.230 1.00 1.00 C ATOM 328 O GLN A 21 -28.986 -2.365 6.102 1.00 1.00 O ATOM 329 CB GLN A 21 -28.085 -5.825 5.908 1.00 1.00 C ATOM 330 CG GLN A 21 -28.938 -5.947 7.173 1.00 1.00 C ATOM 331 CD GLN A 21 -30.422 -5.758 6.853 1.00 1.00 C ATOM 332 OE1 GLN A 21 -30.889 -6.040 5.762 1.00 1.00 O ATOM 333 NE2 GLN A 21 -31.134 -5.265 7.862 1.00 1.00 N ATOM 0 H GLN A 21 -26.385 -4.161 4.468 1.00 1.00 H new ATOM 0 HA GLN A 21 -29.312 -4.498 4.796 1.00 1.00 H new ATOM 0 HB2 GLN A 21 -28.333 -6.632 5.219 1.00 1.00 H new ATOM 0 HB3 GLN A 21 -27.031 -5.937 6.164 1.00 1.00 H new ATOM 0 HG2 GLN A 21 -28.782 -6.925 7.628 1.00 1.00 H new ATOM 0 HG3 GLN A 21 -28.622 -5.202 7.903 1.00 1.00 H new ATOM 0 HE21 GLN A 21 -30.680 -5.051 8.750 1.00 1.00 H new ATOM 0 HE22 GLN A 21 -32.134 -5.101 7.748 1.00 1.00 H new ATOM 342 N LYS A 22 -27.287 -3.448 7.196 1.00 1.00 N ATOM 343 CA LYS A 22 -27.096 -2.428 8.213 1.00 1.00 C ATOM 344 C LYS A 22 -26.141 -2.955 9.286 1.00 1.00 C ATOM 345 O LYS A 22 -26.408 -2.730 10.476 1.00 1.00 O ATOM 346 CB LYS A 22 -28.446 -1.964 8.766 1.00 1.00 C ATOM 347 CG LYS A 22 -28.628 -0.457 8.575 1.00 1.00 C ATOM 348 CD LYS A 22 -29.649 -0.163 7.475 1.00 1.00 C ATOM 349 CE LYS A 22 -28.952 0.222 6.168 1.00 1.00 C ATOM 350 NZ LYS A 22 -29.028 1.677 5.954 1.00 1.00 N ATOM 0 H LYS A 22 -26.662 -4.249 7.284 1.00 1.00 H new ATOM 0 HA LYS A 22 -26.632 -1.542 7.781 1.00 1.00 H new ATOM 0 HB2 LYS A 22 -29.252 -2.498 8.263 1.00 1.00 H new ATOM 0 HB3 LYS A 22 -28.513 -2.211 9.826 1.00 1.00 H new ATOM 0 HG2 LYS A 22 -28.956 -0.005 9.511 1.00 1.00 H new ATOM 0 HG3 LYS A 22 -27.671 -0.001 8.319 1.00 1.00 H new ATOM 0 HD2 LYS A 22 -30.276 -1.040 7.312 1.00 1.00 H new ATOM 0 HD3 LYS A 22 -30.308 0.646 7.792 1.00 1.00 H new ATOM 0 HE2 LYS A 22 -27.909 -0.093 6.198 1.00 1.00 H new ATOM 0 HE3 LYS A 22 -29.419 -0.300 5.332 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 -28.551 1.922 5.063 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 -30.025 1.969 5.904 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 -28.562 2.169 6.743 1.00 1.00 H new ATOM 364 N LYS A 23 -25.064 -3.634 8.852 1.00 1.00 N ATOM 365 CA LYS A 23 -24.081 -4.186 9.769 1.00 1.00 C ATOM 366 C LYS A 23 -22.682 -4.010 9.176 1.00 1.00 C ATOM 367 O LYS A 23 -22.361 -4.709 8.203 1.00 1.00 O ATOM 368 CB LYS A 23 -24.425 -5.637 10.113 1.00 1.00 C ATOM 369 CG LYS A 23 -25.475 -5.702 11.225 1.00 1.00 C ATOM 370 CD LYS A 23 -26.458 -6.849 10.983 1.00 1.00 C ATOM 371 CE LYS A 23 -27.319 -7.103 12.222 1.00 1.00 C ATOM 372 NZ LYS A 23 -28.421 -6.129 12.292 1.00 1.00 N ATOM 0 H LYS A 23 -24.862 -3.808 7.867 1.00 1.00 H new ATOM 0 HA LYS A 23 -24.097 -3.646 10.716 1.00 1.00 H new ATOM 0 HB2 LYS A 23 -24.799 -6.147 9.225 1.00 1.00 H new ATOM 0 HB3 LYS A 23 -23.524 -6.164 10.427 1.00 1.00 H new ATOM 0 HG2 LYS A 23 -24.982 -5.837 12.188 1.00 1.00 H new ATOM 0 HG3 LYS A 23 -26.017 -4.758 11.274 1.00 1.00 H new ATOM 0 HD2 LYS A 23 -27.098 -6.611 10.133 1.00 1.00 H new ATOM 0 HD3 LYS A 23 -25.909 -7.755 10.725 1.00 1.00 H new ATOM 0 HE2 LYS A 23 -27.722 -8.115 12.191 1.00 1.00 H new ATOM 0 HE3 LYS A 23 -26.705 -7.032 13.120 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 -28.996 -6.315 13.139 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 -28.031 -5.166 12.343 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 -29.016 -6.216 11.444 1.00 1.00 H new ATOM 386 N LEU A 24 -21.890 -3.096 9.763 1.00 1.00 N ATOM 387 CA LEU A 24 -20.539 -2.833 9.297 1.00 1.00 C ATOM 388 C LEU A 24 -19.549 -3.114 10.429 1.00 1.00 C ATOM 389 O LEU A 24 -18.891 -2.168 10.885 1.00 1.00 O ATOM 390 CB LEU A 24 -20.435 -1.417 8.726 1.00 1.00 C ATOM 391 CG LEU A 24 -20.779 -1.264 7.243 1.00 1.00 C ATOM 392 CD1 LEU A 24 -19.864 -2.131 6.376 1.00 1.00 C ATOM 393 CD2 LEU A 24 -22.258 -1.562 6.990 1.00 1.00 C ATOM 0 H LEU A 24 -22.174 -2.531 10.563 1.00 1.00 H new ATOM 0 HA LEU A 24 -20.283 -3.503 8.476 1.00 1.00 H new ATOM 0 HB2 LEU A 24 -21.094 -0.766 9.300 1.00 1.00 H new ATOM 0 HB3 LEU A 24 -19.418 -1.058 8.881 1.00 1.00 H new ATOM 0 HG LEU A 24 -20.606 -0.226 6.957 1.00 1.00 H new ATOM 0 HD11 LEU A 24 -20.130 -2.004 5.327 1.00 1.00 H new ATOM 0 HD12 LEU A 24 -18.827 -1.830 6.527 1.00 1.00 H new ATOM 0 HD13 LEU A 24 -19.982 -3.178 6.656 1.00 1.00 H new ATOM 0 HD21 LEU A 24 -22.476 -1.446 5.928 1.00 1.00 H new ATOM 0 HD22 LEU A 24 -22.481 -2.584 7.297 1.00 1.00 H new ATOM 0 HD23 LEU A 24 -22.872 -0.869 7.564 1.00 1.00 H new ATOM 405 N THR A 25 -19.464 -4.388 10.852 1.00 1.00 N ATOM 406 CA THR A 25 -18.563 -4.786 11.920 1.00 1.00 C ATOM 407 C THR A 25 -17.117 -4.622 11.448 1.00 1.00 C ATOM 408 O THR A 25 -16.750 -5.246 10.441 1.00 1.00 O ATOM 409 CB THR A 25 -18.906 -6.216 12.341 1.00 1.00 C ATOM 410 OG1 THR A 25 -17.665 -6.753 12.790 1.00 1.00 O ATOM 411 CG2 THR A 25 -19.287 -7.102 11.152 1.00 1.00 C ATOM 0 H THR A 25 -20.015 -5.153 10.462 1.00 1.00 H new ATOM 0 HA THR A 25 -18.678 -4.152 12.799 1.00 1.00 H new ATOM 0 HB THR A 25 -19.728 -6.196 13.057 1.00 1.00 H new ATOM 0 HG1 THR A 25 -17.796 -7.679 13.084 1.00 1.00 H new ATOM 0 HG21 THR A 25 -19.521 -8.106 11.506 1.00 1.00 H new ATOM 0 HG22 THR A 25 -20.159 -6.682 10.650 1.00 1.00 H new ATOM 0 HG23 THR A 25 -18.453 -7.150 10.452 1.00 1.00 H new ATOM 419 N LEU A 26 -16.337 -3.799 12.172 1.00 1.00 N ATOM 420 CA LEU A 26 -14.946 -3.558 11.830 1.00 1.00 C ATOM 421 C LEU A 26 -14.220 -4.897 11.688 1.00 1.00 C ATOM 422 O LEU A 26 -13.290 -4.981 10.872 1.00 1.00 O ATOM 423 CB LEU A 26 -14.300 -2.613 12.845 1.00 1.00 C ATOM 424 CG LEU A 26 -12.797 -2.792 13.068 1.00 1.00 C ATOM 425 CD1 LEU A 26 -12.026 -1.542 12.639 1.00 1.00 C ATOM 426 CD2 LEU A 26 -12.500 -3.180 14.517 1.00 1.00 C ATOM 0 H LEU A 26 -16.659 -3.294 12.998 1.00 1.00 H new ATOM 0 HA LEU A 26 -14.873 -3.052 10.867 1.00 1.00 H new ATOM 0 HB2 LEU A 26 -14.479 -1.588 12.522 1.00 1.00 H new ATOM 0 HB3 LEU A 26 -14.806 -2.739 13.802 1.00 1.00 H new ATOM 0 HG LEU A 26 -12.454 -3.613 12.439 1.00 1.00 H new ATOM 0 HD11 LEU A 26 -10.960 -1.696 12.808 1.00 1.00 H new ATOM 0 HD12 LEU A 26 -12.202 -1.352 11.580 1.00 1.00 H new ATOM 0 HD13 LEU A 26 -12.366 -0.687 13.223 1.00 1.00 H new ATOM 0 HD21 LEU A 26 -11.425 -3.301 14.648 1.00 1.00 H new ATOM 0 HD22 LEU A 26 -12.861 -2.398 15.185 1.00 1.00 H new ATOM 0 HD23 LEU A 26 -13.002 -4.118 14.753 1.00 1.00 H new ATOM 438 N SER A 27 -14.651 -5.901 12.472 1.00 1.00 N ATOM 439 CA SER A 27 -14.046 -7.222 12.434 1.00 1.00 C ATOM 440 C SER A 27 -14.140 -7.781 11.013 1.00 1.00 C ATOM 441 O SER A 27 -13.156 -8.372 10.546 1.00 1.00 O ATOM 442 CB SER A 27 -14.719 -8.175 13.425 1.00 1.00 C ATOM 443 OG SER A 27 -13.767 -8.917 14.182 1.00 1.00 O ATOM 0 H SER A 27 -15.419 -5.811 13.138 1.00 1.00 H new ATOM 0 HA SER A 27 -13.000 -7.132 12.725 1.00 1.00 H new ATOM 0 HB2 SER A 27 -15.355 -7.604 14.102 1.00 1.00 H new ATOM 0 HB3 SER A 27 -15.367 -8.863 12.883 1.00 1.00 H new ATOM 0 HG SER A 27 -14.236 -9.512 14.804 1.00 1.00 H new ATOM 449 N GLY A 28 -15.302 -7.585 10.365 1.00 1.00 N ATOM 450 CA GLY A 28 -15.519 -8.066 9.011 1.00 1.00 C ATOM 451 C GLY A 28 -14.884 -7.089 8.020 1.00 1.00 C ATOM 452 O GLY A 28 -14.218 -7.551 7.081 1.00 1.00 O ATOM 0 H GLY A 28 -16.100 -7.094 10.768 1.00 1.00 H new ATOM 0 HA2 GLY A 28 -15.084 -9.058 8.891 1.00 1.00 H new ATOM 0 HA3 GLY A 28 -16.587 -8.160 8.813 1.00 1.00 H new ATOM 456 N ILE A 29 -15.098 -5.780 8.243 1.00 1.00 N ATOM 457 CA ILE A 29 -14.550 -4.751 7.376 1.00 1.00 C ATOM 458 C ILE A 29 -13.031 -4.912 7.297 1.00 1.00 C ATOM 459 O ILE A 29 -12.497 -4.926 6.178 1.00 1.00 O ATOM 460 CB ILE A 29 -14.998 -3.364 7.840 1.00 1.00 C ATOM 461 CG1 ILE A 29 -16.407 -3.045 7.335 1.00 1.00 C ATOM 462 CG2 ILE A 29 -13.986 -2.294 7.428 1.00 1.00 C ATOM 463 CD1 ILE A 29 -17.468 -3.545 8.317 1.00 1.00 C ATOM 0 H ILE A 29 -15.650 -5.421 9.022 1.00 1.00 H new ATOM 0 HA ILE A 29 -14.936 -4.862 6.363 1.00 1.00 H new ATOM 0 HB ILE A 29 -15.039 -3.366 8.929 1.00 1.00 H new ATOM 0 HG12 ILE A 29 -16.513 -1.969 7.197 1.00 1.00 H new ATOM 0 HG13 ILE A 29 -16.561 -3.508 6.360 1.00 1.00 H new ATOM 0 HG21 ILE A 29 -14.329 -1.318 7.770 1.00 1.00 H new ATOM 0 HG22 ILE A 29 -13.018 -2.516 7.877 1.00 1.00 H new ATOM 0 HG23 ILE A 29 -13.889 -2.284 6.342 1.00 1.00 H new ATOM 0 HD11 ILE A 29 -18.460 -3.305 7.934 1.00 1.00 H new ATOM 0 HD12 ILE A 29 -17.375 -4.625 8.434 1.00 1.00 H new ATOM 0 HD13 ILE A 29 -17.326 -3.062 9.284 1.00 1.00 H new ATOM 475 N CYS A 30 -12.376 -5.029 8.466 1.00 1.00 N ATOM 476 CA CYS A 30 -10.934 -5.188 8.528 1.00 1.00 C ATOM 477 C CYS A 30 -10.530 -6.449 7.762 1.00 1.00 C ATOM 478 O CYS A 30 -9.719 -6.339 6.830 1.00 1.00 O ATOM 479 CB CYS A 30 -10.444 -5.219 9.977 1.00 1.00 C ATOM 480 SG CYS A 30 -8.657 -5.487 10.172 1.00 1.00 S ATOM 0 H CYS A 30 -12.835 -5.015 9.377 1.00 1.00 H new ATOM 0 HA CYS A 30 -10.456 -4.329 8.056 1.00 1.00 H new ATOM 0 HB2 CYS A 30 -10.710 -4.277 10.456 1.00 1.00 H new ATOM 0 HB3 CYS A 30 -10.976 -6.008 10.509 1.00 1.00 H new ATOM 0 HG CYS A 30 -8.160 -5.930 9.055 1.00 1.00 H new ATOM 486 N GLU A 31 -11.093 -7.603 8.162 1.00 1.00 N ATOM 487 CA GLU A 31 -10.794 -8.870 7.517 1.00 1.00 C ATOM 488 C GLU A 31 -11.236 -8.810 6.054 1.00 1.00 C ATOM 489 O GLU A 31 -10.716 -9.595 5.248 1.00 1.00 O ATOM 490 CB GLU A 31 -11.459 -10.041 8.243 1.00 1.00 C ATOM 491 CG GLU A 31 -11.175 -11.363 7.527 1.00 1.00 C ATOM 492 CD GLU A 31 -11.522 -12.556 8.420 1.00 1.00 C ATOM 493 OE1 GLU A 31 -11.088 -12.475 9.632 1.00 1.00 O ATOM 494 OE2 GLU A 31 -12.174 -13.505 7.961 1.00 1.00 O ATOM 0 H GLU A 31 -11.758 -7.672 8.932 1.00 1.00 H new ATOM 0 HA GLU A 31 -9.718 -9.039 7.561 1.00 1.00 H new ATOM 0 HB2 GLU A 31 -11.093 -10.093 9.268 1.00 1.00 H new ATOM 0 HB3 GLU A 31 -12.535 -9.876 8.297 1.00 1.00 H new ATOM 0 HG2 GLU A 31 -11.755 -11.413 6.605 1.00 1.00 H new ATOM 0 HG3 GLU A 31 -10.123 -11.409 7.245 1.00 1.00 H new ATOM 501 N PHE A 32 -12.172 -7.895 5.745 1.00 1.00 N ATOM 502 CA PHE A 32 -12.677 -7.736 4.392 1.00 1.00 C ATOM 503 C PHE A 32 -11.608 -7.064 3.528 1.00 1.00 C ATOM 504 O PHE A 32 -11.356 -7.551 2.416 1.00 1.00 O ATOM 505 CB PHE A 32 -13.964 -6.890 4.426 1.00 1.00 C ATOM 506 CG PHE A 32 -14.127 -5.933 3.252 1.00 1.00 C ATOM 507 CD1 PHE A 32 -14.481 -6.431 1.977 1.00 1.00 C ATOM 508 CD2 PHE A 32 -13.931 -4.544 3.430 1.00 1.00 C ATOM 509 CE1 PHE A 32 -14.636 -5.547 0.888 1.00 1.00 C ATOM 510 CE2 PHE A 32 -14.087 -3.660 2.340 1.00 1.00 C ATOM 511 CZ PHE A 32 -14.439 -4.162 1.069 1.00 1.00 C ATOM 0 H PHE A 32 -12.588 -7.258 6.425 1.00 1.00 H new ATOM 0 HA PHE A 32 -12.911 -8.710 3.961 1.00 1.00 H new ATOM 0 HB2 PHE A 32 -14.823 -7.561 4.453 1.00 1.00 H new ATOM 0 HB3 PHE A 32 -13.980 -6.314 5.352 1.00 1.00 H new ATOM 0 HD1 PHE A 32 -14.633 -7.491 1.836 1.00 1.00 H new ATOM 0 HD2 PHE A 32 -13.661 -4.158 4.402 1.00 1.00 H new ATOM 0 HE1 PHE A 32 -14.906 -5.931 -0.085 1.00 1.00 H new ATOM 0 HE2 PHE A 32 -13.937 -2.600 2.479 1.00 1.00 H new ATOM 0 HZ PHE A 32 -14.558 -3.486 0.235 1.00 1.00 H new ATOM 521 N ILE A 33 -11.010 -5.977 4.048 1.00 1.00 N ATOM 522 CA ILE A 33 -9.978 -5.248 3.330 1.00 1.00 C ATOM 523 C ILE A 33 -8.735 -6.130 3.197 1.00 1.00 C ATOM 524 O ILE A 33 -8.225 -6.266 2.075 1.00 1.00 O ATOM 525 CB ILE A 33 -9.708 -3.901 4.002 1.00 1.00 C ATOM 526 CG1 ILE A 33 -10.651 -2.821 3.465 1.00 1.00 C ATOM 527 CG2 ILE A 33 -8.238 -3.501 3.858 1.00 1.00 C ATOM 528 CD1 ILE A 33 -11.099 -1.879 4.585 1.00 1.00 C ATOM 0 H ILE A 33 -11.233 -5.592 4.966 1.00 1.00 H new ATOM 0 HA ILE A 33 -10.311 -5.012 2.319 1.00 1.00 H new ATOM 0 HB ILE A 33 -9.911 -4.005 5.068 1.00 1.00 H new ATOM 0 HG12 ILE A 33 -10.149 -2.250 2.684 1.00 1.00 H new ATOM 0 HG13 ILE A 33 -11.523 -3.289 3.008 1.00 1.00 H new ATOM 0 HG21 ILE A 33 -8.073 -2.540 4.344 1.00 1.00 H new ATOM 0 HG22 ILE A 33 -7.608 -4.257 4.326 1.00 1.00 H new ATOM 0 HG23 ILE A 33 -7.985 -3.421 2.801 1.00 1.00 H new ATOM 0 HD11 ILE A 33 -11.768 -1.121 4.177 1.00 1.00 H new ATOM 0 HD12 ILE A 33 -11.622 -2.449 5.353 1.00 1.00 H new ATOM 0 HD13 ILE A 33 -10.227 -1.395 5.024 1.00 1.00 H new ATOM 540 N SER A 34 -8.279 -6.701 4.326 1.00 1.00 N ATOM 541 CA SER A 34 -7.107 -7.561 4.335 1.00 1.00 C ATOM 542 C SER A 34 -7.401 -8.825 3.526 1.00 1.00 C ATOM 543 O SER A 34 -6.445 -9.516 3.144 1.00 1.00 O ATOM 544 CB SER A 34 -6.692 -7.927 5.761 1.00 1.00 C ATOM 545 OG SER A 34 -7.675 -8.724 6.415 1.00 1.00 O ATOM 0 H SER A 34 -8.713 -6.575 5.240 1.00 1.00 H new ATOM 0 HA SER A 34 -6.277 -7.020 3.882 1.00 1.00 H new ATOM 0 HB2 SER A 34 -5.746 -8.467 5.736 1.00 1.00 H new ATOM 0 HB3 SER A 34 -6.524 -7.016 6.335 1.00 1.00 H new ATOM 0 HG SER A 34 -7.372 -8.938 7.322 1.00 1.00 H new ATOM 551 N ASN A 35 -8.696 -9.100 3.287 1.00 1.00 N ATOM 552 CA ASN A 35 -9.108 -10.270 2.531 1.00 1.00 C ATOM 553 C ASN A 35 -8.700 -10.097 1.067 1.00 1.00 C ATOM 554 O ASN A 35 -8.158 -11.050 0.489 1.00 1.00 O ATOM 555 CB ASN A 35 -10.627 -10.451 2.580 1.00 1.00 C ATOM 556 CG ASN A 35 -11.003 -11.727 3.335 1.00 1.00 C ATOM 557 OD1 ASN A 35 -11.561 -11.696 4.419 1.00 1.00 O ATOM 558 ND2 ASN A 35 -10.667 -12.848 2.704 1.00 1.00 N ATOM 0 H ASN A 35 -9.468 -8.519 3.613 1.00 1.00 H new ATOM 0 HA ASN A 35 -8.626 -11.142 2.972 1.00 1.00 H new ATOM 0 HB2 ASN A 35 -11.084 -9.589 3.066 1.00 1.00 H new ATOM 0 HB3 ASN A 35 -11.025 -10.494 1.566 1.00 1.00 H new ATOM 0 HD21 ASN A 35 -10.875 -13.753 3.126 1.00 1.00 H new ATOM 0 HD22 ASN A 35 -10.201 -12.803 1.798 1.00 1.00 H new ATOM 565 N ARG A 36 -8.964 -8.903 0.506 1.00 1.00 N ATOM 566 CA ARG A 36 -8.626 -8.611 -0.877 1.00 1.00 C ATOM 567 C ARG A 36 -7.139 -8.264 -0.972 1.00 1.00 C ATOM 568 O ARG A 36 -6.520 -8.595 -1.994 1.00 1.00 O ATOM 569 CB ARG A 36 -9.451 -7.444 -1.424 1.00 1.00 C ATOM 570 CG ARG A 36 -10.933 -7.615 -1.088 1.00 1.00 C ATOM 571 CD ARG A 36 -11.520 -8.835 -1.801 1.00 1.00 C ATOM 572 NE ARG A 36 -12.022 -8.446 -3.138 1.00 1.00 N ATOM 573 CZ ARG A 36 -13.202 -7.826 -3.354 1.00 1.00 C ATOM 574 NH1 ARG A 36 -13.983 -7.536 -2.305 1.00 1.00 N ATOM 575 NH2 ARG A 36 -13.585 -7.507 -4.597 1.00 1.00 N ATOM 0 H ARG A 36 -9.412 -8.131 1.000 1.00 1.00 H new ATOM 0 HA ARG A 36 -8.851 -9.495 -1.474 1.00 1.00 H new ATOM 0 HB2 ARG A 36 -9.085 -6.507 -1.004 1.00 1.00 H new ATOM 0 HB3 ARG A 36 -9.325 -7.380 -2.505 1.00 1.00 H new ATOM 0 HG2 ARG A 36 -11.055 -7.726 -0.010 1.00 1.00 H new ATOM 0 HG3 ARG A 36 -11.481 -6.720 -1.381 1.00 1.00 H new ATOM 0 HD2 ARG A 36 -10.760 -9.610 -1.900 1.00 1.00 H new ATOM 0 HD3 ARG A 36 -12.331 -9.258 -1.208 1.00 1.00 H new ATOM 0 HE ARG A 36 -11.440 -8.660 -3.948 1.00 1.00 H new ATOM 0 HH11 ARG A 36 -13.683 -7.783 -1.362 1.00 1.00 H new ATOM 0 HH12 ARG A 36 -14.878 -7.068 -2.449 1.00 1.00 H new ATOM 0 HH21 ARG A 36 -12.984 -7.732 -5.390 1.00 1.00 H new ATOM 0 HH22 ARG A 36 -14.478 -7.039 -4.751 1.00 1.00 H new ATOM 589 N PHE A 37 -6.604 -7.615 0.078 1.00 1.00 N ATOM 590 CA PHE A 37 -5.203 -7.229 0.112 1.00 1.00 C ATOM 591 C PHE A 37 -4.540 -7.841 1.347 1.00 1.00 C ATOM 592 O PHE A 37 -4.441 -7.146 2.368 1.00 1.00 O ATOM 593 CB PHE A 37 -5.101 -5.691 0.141 1.00 1.00 C ATOM 594 CG PHE A 37 -6.371 -4.963 -0.280 1.00 1.00 C ATOM 595 CD1 PHE A 37 -6.973 -5.240 -1.529 1.00 1.00 C ATOM 596 CD2 PHE A 37 -6.951 -3.998 0.576 1.00 1.00 C ATOM 597 CE1 PHE A 37 -8.146 -4.559 -1.918 1.00 1.00 C ATOM 598 CE2 PHE A 37 -8.124 -3.318 0.187 1.00 1.00 C ATOM 599 CZ PHE A 37 -8.722 -3.598 -1.060 1.00 1.00 C ATOM 0 H PHE A 37 -7.131 -7.352 0.910 1.00 1.00 H new ATOM 0 HA PHE A 37 -4.689 -7.596 -0.776 1.00 1.00 H new ATOM 0 HB2 PHE A 37 -4.835 -5.377 1.150 1.00 1.00 H new ATOM 0 HB3 PHE A 37 -4.287 -5.382 -0.514 1.00 1.00 H new ATOM 0 HD1 PHE A 37 -6.534 -5.975 -2.187 1.00 1.00 H new ATOM 0 HD2 PHE A 37 -6.494 -3.781 1.530 1.00 1.00 H new ATOM 0 HE1 PHE A 37 -8.603 -4.773 -2.873 1.00 1.00 H new ATOM 0 HE2 PHE A 37 -8.565 -2.583 0.844 1.00 1.00 H new ATOM 0 HZ PHE A 37 -9.620 -3.077 -1.358 1.00 1.00 H new ATOM 609 N PRO A 38 -4.106 -9.109 1.231 1.00 1.00 N ATOM 610 CA PRO A 38 -3.455 -9.835 2.308 1.00 1.00 C ATOM 611 C PRO A 38 -2.016 -9.354 2.502 1.00 1.00 C ATOM 612 O PRO A 38 -1.525 -9.407 3.640 1.00 1.00 O ATOM 613 CB PRO A 38 -3.544 -11.298 1.906 1.00 1.00 C ATOM 614 CG PRO A 38 -3.822 -11.303 0.412 1.00 1.00 C ATOM 615 CD PRO A 38 -4.241 -9.898 0.010 1.00 1.00 C ATOM 0 HA PRO A 38 -3.932 -9.672 3.274 1.00 1.00 H new ATOM 0 HB2 PRO A 38 -2.616 -11.822 2.132 1.00 1.00 H new ATOM 0 HB3 PRO A 38 -4.338 -11.806 2.453 1.00 1.00 H new ATOM 0 HG2 PRO A 38 -2.934 -11.609 -0.140 1.00 1.00 H new ATOM 0 HG3 PRO A 38 -4.608 -12.019 0.173 1.00 1.00 H new ATOM 0 HD2 PRO A 38 -3.607 -9.508 -0.786 1.00 1.00 H new ATOM 0 HD3 PRO A 38 -5.266 -9.881 -0.362 1.00 1.00 H new ATOM 623 N TYR A 39 -1.379 -8.903 1.407 1.00 1.00 N ATOM 624 CA TYR A 39 -0.008 -8.437 1.524 1.00 1.00 C ATOM 625 C TYR A 39 0.009 -7.097 2.263 1.00 1.00 C ATOM 626 O TYR A 39 1.021 -6.806 2.917 1.00 1.00 O ATOM 627 CB TYR A 39 0.635 -8.330 0.129 1.00 1.00 C ATOM 628 CG TYR A 39 -0.301 -8.661 -1.025 1.00 1.00 C ATOM 629 CD1 TYR A 39 -1.081 -7.641 -1.618 1.00 1.00 C ATOM 630 CD2 TYR A 39 -0.393 -9.984 -1.516 1.00 1.00 C ATOM 631 CE1 TYR A 39 -1.947 -7.942 -2.690 1.00 1.00 C ATOM 632 CE2 TYR A 39 -1.260 -10.285 -2.588 1.00 1.00 C ATOM 633 CZ TYR A 39 -2.039 -9.264 -3.175 1.00 1.00 C ATOM 634 OH TYR A 39 -2.880 -9.552 -4.212 1.00 1.00 O ATOM 0 H TYR A 39 -1.781 -8.856 0.471 1.00 1.00 H new ATOM 0 HA TYR A 39 0.581 -9.151 2.100 1.00 1.00 H new ATOM 0 HB2 TYR A 39 1.013 -7.317 -0.006 1.00 1.00 H new ATOM 0 HB3 TYR A 39 1.494 -8.999 0.087 1.00 1.00 H new ATOM 0 HD1 TYR A 39 -1.013 -6.628 -1.249 1.00 1.00 H new ATOM 0 HD2 TYR A 39 0.202 -10.767 -1.069 1.00 1.00 H new ATOM 0 HE1 TYR A 39 -2.540 -7.160 -3.140 1.00 1.00 H new ATOM 0 HE2 TYR A 39 -1.328 -11.297 -2.960 1.00 1.00 H new ATOM 0 HH TYR A 39 -2.823 -10.507 -4.424 1.00 1.00 H new ATOM 644 N TYR A 40 -1.081 -6.319 2.142 1.00 1.00 N ATOM 645 CA TYR A 40 -1.113 -5.030 2.811 1.00 1.00 C ATOM 646 C TYR A 40 -1.105 -5.246 4.325 1.00 1.00 C ATOM 647 O TYR A 40 -0.224 -4.681 4.990 1.00 1.00 O ATOM 648 CB TYR A 40 -2.344 -4.226 2.353 1.00 1.00 C ATOM 649 CG TYR A 40 -2.025 -2.843 1.802 1.00 1.00 C ATOM 650 CD1 TYR A 40 -0.988 -2.074 2.378 1.00 1.00 C ATOM 651 CD2 TYR A 40 -2.756 -2.322 0.710 1.00 1.00 C ATOM 652 CE1 TYR A 40 -0.687 -0.793 1.870 1.00 1.00 C ATOM 653 CE2 TYR A 40 -2.455 -1.041 0.201 1.00 1.00 C ATOM 654 CZ TYR A 40 -1.420 -0.274 0.781 1.00 1.00 C ATOM 655 OH TYR A 40 -1.126 0.967 0.292 1.00 1.00 O ATOM 0 H TYR A 40 -1.916 -6.557 1.606 1.00 1.00 H new ATOM 0 HA TYR A 40 -0.229 -4.450 2.545 1.00 1.00 H new ATOM 0 HB2 TYR A 40 -2.870 -4.796 1.587 1.00 1.00 H new ATOM 0 HB3 TYR A 40 -3.027 -4.119 3.196 1.00 1.00 H new ATOM 0 HD1 TYR A 40 -0.424 -2.469 3.210 1.00 1.00 H new ATOM 0 HD2 TYR A 40 -3.547 -2.906 0.264 1.00 1.00 H new ATOM 0 HE1 TYR A 40 0.105 -0.209 2.315 1.00 1.00 H new ATOM 0 HE2 TYR A 40 -3.016 -0.646 -0.633 1.00 1.00 H new ATOM 0 HH TYR A 40 -1.722 1.173 -0.458 1.00 1.00 H new ATOM 665 N ARG A 41 -2.069 -6.034 4.834 1.00 1.00 N ATOM 666 CA ARG A 41 -2.170 -6.305 6.258 1.00 1.00 C ATOM 667 C ARG A 41 -0.810 -6.769 6.782 1.00 1.00 C ATOM 668 O ARG A 41 -0.449 -6.389 7.906 1.00 1.00 O ATOM 669 CB ARG A 41 -3.217 -7.381 6.555 1.00 1.00 C ATOM 670 CG ARG A 41 -3.598 -7.382 8.036 1.00 1.00 C ATOM 671 CD ARG A 41 -3.006 -8.597 8.754 1.00 1.00 C ATOM 672 NE ARG A 41 -4.077 -9.348 9.446 1.00 1.00 N ATOM 673 CZ ARG A 41 -3.885 -10.515 10.096 1.00 1.00 C ATOM 674 NH1 ARG A 41 -2.655 -11.045 10.129 1.00 1.00 N ATOM 675 NH2 ARG A 41 -4.909 -11.135 10.699 1.00 1.00 N ATOM 0 H ARG A 41 -2.785 -6.490 4.269 1.00 1.00 H new ATOM 0 HA ARG A 41 -2.478 -5.385 6.755 1.00 1.00 H new ATOM 0 HB2 ARG A 41 -4.105 -7.207 5.948 1.00 1.00 H new ATOM 0 HB3 ARG A 41 -2.827 -8.360 6.276 1.00 1.00 H new ATOM 0 HG2 ARG A 41 -3.241 -6.467 8.508 1.00 1.00 H new ATOM 0 HG3 ARG A 41 -4.683 -7.389 8.136 1.00 1.00 H new ATOM 0 HD2 ARG A 41 -2.502 -9.244 8.036 1.00 1.00 H new ATOM 0 HD3 ARG A 41 -2.254 -8.274 9.474 1.00 1.00 H new ATOM 0 HE ARG A 41 -5.020 -8.959 9.431 1.00 1.00 H new ATOM 0 HH11 ARG A 41 -1.881 -10.567 9.667 1.00 1.00 H new ATOM 0 HH12 ARG A 41 -2.492 -11.926 10.616 1.00 1.00 H new ATOM 0 HH21 ARG A 41 -5.843 -10.725 10.669 1.00 1.00 H new ATOM 0 HH22 ARG A 41 -4.755 -12.017 11.188 1.00 1.00 H new ATOM 689 N GLU A 42 -0.093 -7.569 5.972 1.00 1.00 N ATOM 690 CA GLU A 42 1.214 -8.078 6.352 1.00 1.00 C ATOM 691 C GLU A 42 2.218 -6.924 6.377 1.00 1.00 C ATOM 692 O GLU A 42 3.084 -6.915 7.264 1.00 1.00 O ATOM 693 CB GLU A 42 1.679 -9.190 5.410 1.00 1.00 C ATOM 694 CG GLU A 42 2.734 -10.072 6.082 1.00 1.00 C ATOM 695 CD GLU A 42 4.125 -9.800 5.504 1.00 1.00 C ATOM 696 OE1 GLU A 42 4.489 -10.376 4.468 1.00 1.00 O ATOM 697 OE2 GLU A 42 4.837 -8.956 6.171 1.00 1.00 O ATOM 0 H GLU A 42 -0.408 -7.871 5.050 1.00 1.00 H new ATOM 0 HA GLU A 42 1.144 -8.515 7.348 1.00 1.00 H new ATOM 0 HB2 GLU A 42 0.826 -9.800 5.112 1.00 1.00 H new ATOM 0 HB3 GLU A 42 2.091 -8.753 4.501 1.00 1.00 H new ATOM 0 HG2 GLU A 42 2.739 -9.885 7.156 1.00 1.00 H new ATOM 0 HG3 GLU A 42 2.477 -11.122 5.943 1.00 1.00 H new ATOM 704 N LYS A 43 2.085 -5.989 5.420 1.00 1.00 N ATOM 705 CA LYS A 43 2.974 -4.843 5.333 1.00 1.00 C ATOM 706 C LYS A 43 2.605 -3.832 6.421 1.00 1.00 C ATOM 707 O LYS A 43 3.491 -3.456 7.202 1.00 1.00 O ATOM 708 CB LYS A 43 2.959 -4.258 3.920 1.00 1.00 C ATOM 709 CG LYS A 43 4.379 -3.963 3.432 1.00 1.00 C ATOM 710 CD LYS A 43 4.791 -2.531 3.779 1.00 1.00 C ATOM 711 CE LYS A 43 5.771 -1.976 2.743 1.00 1.00 C ATOM 712 NZ LYS A 43 6.298 -0.673 3.179 1.00 1.00 N ATOM 0 H LYS A 43 1.364 -6.015 4.699 1.00 1.00 H new ATOM 0 HA LYS A 43 4.005 -5.147 5.516 1.00 1.00 H new ATOM 0 HB2 LYS A 43 2.475 -4.957 3.238 1.00 1.00 H new ATOM 0 HB3 LYS A 43 2.369 -3.341 3.909 1.00 1.00 H new ATOM 0 HG2 LYS A 43 5.077 -4.666 3.886 1.00 1.00 H new ATOM 0 HG3 LYS A 43 4.435 -4.110 2.353 1.00 1.00 H new ATOM 0 HD2 LYS A 43 3.907 -1.895 3.825 1.00 1.00 H new ATOM 0 HD3 LYS A 43 5.251 -2.510 4.767 1.00 1.00 H new ATOM 0 HE2 LYS A 43 6.593 -2.677 2.599 1.00 1.00 H new ATOM 0 HE3 LYS A 43 5.270 -1.869 1.781 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 6.961 -0.310 2.465 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 5.512 -0.002 3.294 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 6.793 -0.785 4.087 1.00 1.00 H new ATOM 726 N PHE A 44 1.325 -3.420 6.450 1.00 1.00 N ATOM 727 CA PHE A 44 0.847 -2.463 7.433 1.00 1.00 C ATOM 728 C PHE A 44 -0.441 -2.991 8.068 1.00 1.00 C ATOM 729 O PHE A 44 -1.519 -2.742 7.510 1.00 1.00 O ATOM 730 CB PHE A 44 0.600 -1.107 6.743 1.00 1.00 C ATOM 731 CG PHE A 44 0.638 0.096 7.676 1.00 1.00 C ATOM 732 CD1 PHE A 44 1.704 0.258 8.591 1.00 1.00 C ATOM 733 CD2 PHE A 44 -0.400 1.056 7.636 1.00 1.00 C ATOM 734 CE1 PHE A 44 1.733 1.372 9.457 1.00 1.00 C ATOM 735 CE2 PHE A 44 -0.369 2.170 8.502 1.00 1.00 C ATOM 736 CZ PHE A 44 0.697 2.328 9.412 1.00 1.00 C ATOM 0 H PHE A 44 0.611 -3.743 5.797 1.00 1.00 H new ATOM 0 HA PHE A 44 1.591 -2.326 8.217 1.00 1.00 H new ATOM 0 HB2 PHE A 44 1.349 -0.969 5.963 1.00 1.00 H new ATOM 0 HB3 PHE A 44 -0.372 -1.137 6.250 1.00 1.00 H new ATOM 0 HD1 PHE A 44 2.498 -0.473 8.627 1.00 1.00 H new ATOM 0 HD2 PHE A 44 -1.218 0.936 6.941 1.00 1.00 H new ATOM 0 HE1 PHE A 44 2.549 1.492 10.154 1.00 1.00 H new ATOM 0 HE2 PHE A 44 -1.162 2.902 8.468 1.00 1.00 H new ATOM 0 HZ PHE A 44 0.720 3.181 10.074 1.00 1.00 H new ATOM 746 N PRO A 45 -0.306 -3.699 9.204 1.00 1.00 N ATOM 747 CA PRO A 45 -1.426 -4.269 9.932 1.00 1.00 C ATOM 748 C PRO A 45 -2.196 -3.186 10.691 1.00 1.00 C ATOM 749 O PRO A 45 -3.124 -3.534 11.436 1.00 1.00 O ATOM 750 CB PRO A 45 -0.810 -5.313 10.849 1.00 1.00 C ATOM 751 CG PRO A 45 0.668 -4.967 10.940 1.00 1.00 C ATOM 752 CD PRO A 45 0.983 -3.973 9.834 1.00 1.00 C ATOM 0 HA PRO A 45 -2.167 -4.724 9.274 1.00 1.00 H new ATOM 0 HB2 PRO A 45 -1.277 -5.293 11.834 1.00 1.00 H new ATOM 0 HB3 PRO A 45 -0.952 -6.317 10.449 1.00 1.00 H new ATOM 0 HG2 PRO A 45 0.901 -4.539 11.915 1.00 1.00 H new ATOM 0 HG3 PRO A 45 1.277 -5.864 10.832 1.00 1.00 H new ATOM 0 HD2 PRO A 45 1.429 -3.063 10.235 1.00 1.00 H new ATOM 0 HD3 PRO A 45 1.693 -4.388 9.119 1.00 1.00 H new ATOM 760 N ALA A 46 -1.801 -1.916 10.492 1.00 1.00 N ATOM 761 CA ALA A 46 -2.449 -0.796 11.153 1.00 1.00 C ATOM 762 C ALA A 46 -3.678 -0.373 10.345 1.00 1.00 C ATOM 763 O ALA A 46 -4.101 0.784 10.477 1.00 1.00 O ATOM 764 CB ALA A 46 -1.508 0.410 11.165 1.00 1.00 C ATOM 0 H ALA A 46 -1.033 -1.651 9.875 1.00 1.00 H new ATOM 0 HA ALA A 46 -2.717 -1.101 12.165 1.00 1.00 H new ATOM 0 HB1 ALA A 46 -1.997 1.248 11.661 1.00 1.00 H new ATOM 0 HB2 ALA A 46 -0.594 0.153 11.701 1.00 1.00 H new ATOM 0 HB3 ALA A 46 -1.261 0.689 10.141 1.00 1.00 H new ATOM 770 N TRP A 47 -4.216 -1.304 9.537 1.00 1.00 N ATOM 771 CA TRP A 47 -5.384 -1.030 8.718 1.00 1.00 C ATOM 772 C TRP A 47 -6.608 -0.862 9.621 1.00 1.00 C ATOM 773 O TRP A 47 -7.413 0.044 9.360 1.00 1.00 O ATOM 774 CB TRP A 47 -5.563 -2.126 7.666 1.00 1.00 C ATOM 775 CG TRP A 47 -4.691 -1.944 6.422 1.00 1.00 C ATOM 776 CD1 TRP A 47 -3.649 -2.689 6.029 1.00 1.00 C ATOM 777 CD2 TRP A 47 -4.829 -0.917 5.418 1.00 1.00 C ATOM 778 NE1 TRP A 47 -3.107 -2.219 4.851 1.00 1.00 N ATOM 779 CE2 TRP A 47 -3.848 -1.107 4.467 1.00 1.00 C ATOM 780 CE3 TRP A 47 -5.753 0.138 5.317 1.00 1.00 C ATOM 781 CZ2 TRP A 47 -3.696 -0.281 3.347 1.00 1.00 C ATOM 782 CZ3 TRP A 47 -5.588 0.954 4.191 1.00 1.00 C ATOM 783 CH2 TRP A 47 -4.605 0.776 3.225 1.00 1.00 C ATOM 0 H TRP A 47 -3.851 -2.252 9.442 1.00 1.00 H new ATOM 0 HA TRP A 47 -5.252 -0.097 8.171 1.00 1.00 H new ATOM 0 HB2 TRP A 47 -5.335 -3.091 8.119 1.00 1.00 H new ATOM 0 HB3 TRP A 47 -6.609 -2.156 7.362 1.00 1.00 H new ATOM 0 HD1 TRP A 47 -3.280 -3.550 6.567 1.00 1.00 H new ATOM 0 HE1 TRP A 47 -2.309 -2.614 4.353 1.00 1.00 H new ATOM 0 HE3 TRP A 47 -6.528 0.306 6.050 1.00 1.00 H new ATOM 0 HZ2 TRP A 47 -2.919 -0.450 2.616 1.00 1.00 H new ATOM 0 HZ3 TRP A 47 -6.273 1.780 4.064 1.00 1.00 H new ATOM 0 HH2 TRP A 47 -4.543 1.450 2.384 1.00 1.00 H new ATOM 794 N GLN A 48 -6.721 -1.722 10.648 1.00 1.00 N ATOM 795 CA GLN A 48 -7.836 -1.669 11.578 1.00 1.00 C ATOM 796 C GLN A 48 -7.877 -0.290 12.239 1.00 1.00 C ATOM 797 O GLN A 48 -8.976 0.270 12.368 1.00 1.00 O ATOM 798 CB GLN A 48 -7.745 -2.778 12.628 1.00 1.00 C ATOM 799 CG GLN A 48 -9.124 -3.377 12.913 1.00 1.00 C ATOM 800 CD GLN A 48 -9.017 -4.868 13.240 1.00 1.00 C ATOM 801 OE1 GLN A 48 -10.085 -5.577 12.886 1.00 1.00 O flip ATOM 802 NE2 GLN A 48 -8.030 -5.343 13.777 1.00 1.00 N flip ATOM 0 H GLN A 48 -6.046 -2.460 10.846 1.00 1.00 H new ATOM 0 HA GLN A 48 -8.761 -1.831 11.025 1.00 1.00 H new ATOM 0 HB2 GLN A 48 -7.070 -3.560 12.279 1.00 1.00 H new ATOM 0 HB3 GLN A 48 -7.321 -2.378 13.549 1.00 1.00 H new ATOM 0 HG2 GLN A 48 -9.588 -2.850 13.747 1.00 1.00 H new ATOM 0 HG3 GLN A 48 -9.772 -3.236 12.048 1.00 1.00 H new ATOM 0 HE21 GLN A 48 -7.244 -4.741 14.023 1.00 1.00 H new ATOM 0 HE22 GLN A 48 -7.991 -6.342 13.980 1.00 1.00 H new ATOM 811 N ASN A 49 -6.699 0.222 12.638 1.00 1.00 N ATOM 812 CA ASN A 49 -6.602 1.523 13.279 1.00 1.00 C ATOM 813 C ASN A 49 -6.963 2.613 12.268 1.00 1.00 C ATOM 814 O ASN A 49 -7.884 3.395 12.547 1.00 1.00 O ATOM 815 CB ASN A 49 -5.179 1.789 13.773 1.00 1.00 C ATOM 816 CG ASN A 49 -5.151 2.954 14.764 1.00 1.00 C ATOM 817 OD1 ASN A 49 -5.110 4.116 14.395 1.00 1.00 O ATOM 818 ND2 ASN A 49 -5.175 2.579 16.040 1.00 1.00 N ATOM 0 H ASN A 49 -5.805 -0.256 12.522 1.00 1.00 H new ATOM 0 HA ASN A 49 -7.286 1.532 14.128 1.00 1.00 H new ATOM 0 HB2 ASN A 49 -4.782 0.892 14.249 1.00 1.00 H new ATOM 0 HB3 ASN A 49 -4.532 2.013 12.925 1.00 1.00 H new ATOM 0 HD21 ASN A 49 -5.159 3.282 16.779 1.00 1.00 H new ATOM 0 HD22 ASN A 49 -5.209 1.588 16.280 1.00 1.00 H new ATOM 825 N SER A 50 -6.243 2.643 11.132 1.00 1.00 N ATOM 826 CA SER A 50 -6.486 3.629 10.092 1.00 1.00 C ATOM 827 C SER A 50 -7.936 3.516 9.618 1.00 1.00 C ATOM 828 O SER A 50 -8.608 4.553 9.523 1.00 1.00 O ATOM 829 CB SER A 50 -5.527 3.448 8.914 1.00 1.00 C ATOM 830 OG SER A 50 -4.775 4.630 8.652 1.00 1.00 O ATOM 0 H SER A 50 -5.489 1.989 10.921 1.00 1.00 H new ATOM 0 HA SER A 50 -6.311 4.621 10.507 1.00 1.00 H new ATOM 0 HB2 SER A 50 -4.845 2.624 9.125 1.00 1.00 H new ATOM 0 HB3 SER A 50 -6.093 3.174 8.024 1.00 1.00 H new ATOM 0 HG SER A 50 -4.674 4.745 7.684 1.00 1.00 H new ATOM 836 N ILE A 51 -8.383 2.279 9.335 1.00 1.00 N ATOM 837 CA ILE A 51 -9.740 2.037 8.875 1.00 1.00 C ATOM 838 C ILE A 51 -10.727 2.481 9.957 1.00 1.00 C ATOM 839 O ILE A 51 -11.526 3.390 9.688 1.00 1.00 O ATOM 840 CB ILE A 51 -9.909 0.577 8.451 1.00 1.00 C ATOM 841 CG1 ILE A 51 -9.008 0.244 7.260 1.00 1.00 C ATOM 842 CG2 ILE A 51 -11.378 0.255 8.166 1.00 1.00 C ATOM 843 CD1 ILE A 51 -8.849 -1.269 7.099 1.00 1.00 C ATOM 0 H ILE A 51 -7.814 1.437 9.421 1.00 1.00 H new ATOM 0 HA ILE A 51 -9.953 2.630 7.986 1.00 1.00 H new ATOM 0 HB ILE A 51 -9.595 -0.058 9.280 1.00 1.00 H new ATOM 0 HG12 ILE A 51 -9.432 0.668 6.349 1.00 1.00 H new ATOM 0 HG13 ILE A 51 -8.029 0.703 7.400 1.00 1.00 H new ATOM 0 HG21 ILE A 51 -11.470 -0.789 7.867 1.00 1.00 H new ATOM 0 HG22 ILE A 51 -11.970 0.428 9.065 1.00 1.00 H new ATOM 0 HG23 ILE A 51 -11.742 0.896 7.363 1.00 1.00 H new ATOM 0 HD11 ILE A 51 -8.204 -1.478 6.246 1.00 1.00 H new ATOM 0 HD12 ILE A 51 -8.403 -1.686 8.002 1.00 1.00 H new ATOM 0 HD13 ILE A 51 -9.827 -1.722 6.935 1.00 1.00 H new ATOM 855 N ARG A 52 -10.653 1.843 11.138 1.00 1.00 N ATOM 856 CA ARG A 52 -11.534 2.171 12.247 1.00 1.00 C ATOM 857 C ARG A 52 -11.662 3.691 12.358 1.00 1.00 C ATOM 858 O ARG A 52 -12.670 4.159 12.907 1.00 1.00 O ATOM 859 CB ARG A 52 -11.006 1.612 13.570 1.00 1.00 C ATOM 860 CG ARG A 52 -12.015 1.831 14.699 1.00 1.00 C ATOM 861 CD ARG A 52 -11.881 0.748 15.771 1.00 1.00 C ATOM 862 NE ARG A 52 -11.483 1.358 17.059 1.00 1.00 N ATOM 863 CZ ARG A 52 -10.227 1.760 17.350 1.00 1.00 C ATOM 864 NH1 ARG A 52 -9.266 1.607 16.429 1.00 1.00 N ATOM 865 NH2 ARG A 52 -9.946 2.305 18.542 1.00 1.00 N ATOM 0 H ARG A 52 -9.987 1.097 11.339 1.00 1.00 H new ATOM 0 HA ARG A 52 -12.507 1.719 12.052 1.00 1.00 H new ATOM 0 HB2 ARG A 52 -10.800 0.547 13.463 1.00 1.00 H new ATOM 0 HB3 ARG A 52 -10.062 2.095 13.822 1.00 1.00 H new ATOM 0 HG2 ARG A 52 -11.858 2.812 15.147 1.00 1.00 H new ATOM 0 HG3 ARG A 52 -13.027 1.824 14.294 1.00 1.00 H new ATOM 0 HD2 ARG A 52 -12.827 0.220 15.886 1.00 1.00 H new ATOM 0 HD3 ARG A 52 -11.140 0.010 15.464 1.00 1.00 H new ATOM 0 HE ARG A 52 -12.202 1.483 17.772 1.00 1.00 H new ATOM 0 HH11 ARG A 52 -9.488 1.192 15.524 1.00 1.00 H new ATOM 0 HH12 ARG A 52 -8.312 1.905 16.633 1.00 1.00 H new ATOM 0 HH21 ARG A 52 -10.684 2.419 19.237 1.00 1.00 H new ATOM 0 HH22 ARG A 52 -8.995 2.606 18.754 1.00 1.00 H new ATOM 879 N HIS A 53 -10.655 4.420 11.844 1.00 1.00 N ATOM 880 CA HIS A 53 -10.656 5.872 11.886 1.00 1.00 C ATOM 881 C HIS A 53 -11.535 6.411 10.755 1.00 1.00 C ATOM 882 O HIS A 53 -12.496 7.135 11.049 1.00 1.00 O ATOM 883 CB HIS A 53 -9.229 6.423 11.842 1.00 1.00 C ATOM 884 CG HIS A 53 -9.100 7.737 11.109 1.00 1.00 C ATOM 885 ND1 HIS A 53 -8.811 8.005 9.804 1.00 1.00 N flip ATOM 886 CD2 HIS A 53 -9.276 8.961 11.730 1.00 1.00 C flip ATOM 887 CE1 HIS A 53 -8.811 9.321 9.636 1.00 1.00 C flip ATOM 888 NE2 HIS A 53 -9.098 9.916 10.829 1.00 1.00 N flip ATOM 0 H HIS A 53 -9.833 4.015 11.396 1.00 1.00 H new ATOM 0 HA HIS A 53 -11.081 6.213 12.830 1.00 1.00 H new ATOM 0 HB2 HIS A 53 -8.868 6.551 12.863 1.00 1.00 H new ATOM 0 HB3 HIS A 53 -8.581 5.688 11.365 1.00 1.00 H new ATOM 0 HD2 HIS A 53 -9.517 9.112 12.772 1.00 1.00 H new ATOM 0 HE1 HIS A 53 -8.616 9.836 8.707 1.00 1.00 H new ATOM 0 HE2 HIS A 53 -9.164 10.920 10.998 1.00 1.00 H new ATOM 896 N ASN A 54 -11.193 6.051 9.505 1.00 1.00 N ATOM 897 CA ASN A 54 -11.946 6.495 8.344 1.00 1.00 C ATOM 898 C ASN A 54 -13.295 5.774 8.309 1.00 1.00 C ATOM 899 O ASN A 54 -14.274 6.376 7.844 1.00 1.00 O ATOM 900 CB ASN A 54 -11.202 6.168 7.047 1.00 1.00 C ATOM 901 CG ASN A 54 -10.653 4.740 7.076 1.00 1.00 C ATOM 902 OD1 ASN A 54 -9.484 4.502 7.331 1.00 1.00 O ATOM 903 ND2 ASN A 54 -11.559 3.806 6.800 1.00 1.00 N ATOM 0 H ASN A 54 -10.397 5.453 9.285 1.00 1.00 H new ATOM 0 HA ASN A 54 -12.079 7.574 8.422 1.00 1.00 H new ATOM 0 HB2 ASN A 54 -11.875 6.286 6.198 1.00 1.00 H new ATOM 0 HB3 ASN A 54 -10.383 6.874 6.905 1.00 1.00 H new ATOM 0 HD21 ASN A 54 -11.291 2.822 6.793 1.00 1.00 H new ATOM 0 HD22 ASN A 54 -12.522 4.074 6.595 1.00 1.00 H new ATOM 910 N LEU A 55 -13.320 4.520 8.795 1.00 1.00 N ATOM 911 CA LEU A 55 -14.538 3.728 8.820 1.00 1.00 C ATOM 912 C LEU A 55 -15.618 4.485 9.595 1.00 1.00 C ATOM 913 O LEU A 55 -16.688 4.738 9.022 1.00 1.00 O ATOM 914 CB LEU A 55 -14.255 2.328 9.368 1.00 1.00 C ATOM 915 CG LEU A 55 -15.146 1.205 8.830 1.00 1.00 C ATOM 916 CD1 LEU A 55 -16.519 1.225 9.504 1.00 1.00 C ATOM 917 CD2 LEU A 55 -15.254 1.273 7.306 1.00 1.00 C ATOM 0 H LEU A 55 -12.502 4.043 9.174 1.00 1.00 H new ATOM 0 HA LEU A 55 -14.916 3.579 7.809 1.00 1.00 H new ATOM 0 HB2 LEU A 55 -13.217 2.077 9.151 1.00 1.00 H new ATOM 0 HB3 LEU A 55 -14.356 2.357 10.453 1.00 1.00 H new ATOM 0 HG LEU A 55 -14.680 0.251 9.077 1.00 1.00 H new ATOM 0 HD11 LEU A 55 -17.132 0.418 9.104 1.00 1.00 H new ATOM 0 HD12 LEU A 55 -16.399 1.091 10.579 1.00 1.00 H new ATOM 0 HD13 LEU A 55 -17.006 2.181 9.310 1.00 1.00 H new ATOM 0 HD21 LEU A 55 -15.892 0.464 6.950 1.00 1.00 H new ATOM 0 HD22 LEU A 55 -15.685 2.231 7.014 1.00 1.00 H new ATOM 0 HD23 LEU A 55 -14.262 1.172 6.866 1.00 1.00 H new ATOM 929 N SER A 56 -15.322 4.827 10.862 1.00 1.00 N ATOM 930 CA SER A 56 -16.261 5.548 11.705 1.00 1.00 C ATOM 931 C SER A 56 -16.288 7.020 11.287 1.00 1.00 C ATOM 932 O SER A 56 -17.353 7.644 11.396 1.00 1.00 O ATOM 933 CB SER A 56 -15.896 5.422 13.185 1.00 1.00 C ATOM 934 OG SER A 56 -15.311 6.618 13.694 1.00 1.00 O ATOM 0 H SER A 56 -14.434 4.610 11.315 1.00 1.00 H new ATOM 0 HA SER A 56 -17.251 5.110 11.574 1.00 1.00 H new ATOM 0 HB2 SER A 56 -16.791 5.183 13.760 1.00 1.00 H new ATOM 0 HB3 SER A 56 -15.201 4.593 13.318 1.00 1.00 H new ATOM 0 HG SER A 56 -15.094 6.498 14.642 1.00 1.00 H new ATOM 940 N LEU A 57 -15.135 7.536 10.826 1.00 1.00 N ATOM 941 CA LEU A 57 -15.028 8.920 10.398 1.00 1.00 C ATOM 942 C LEU A 57 -15.470 9.034 8.937 1.00 1.00 C ATOM 943 O LEU A 57 -15.053 9.989 8.267 1.00 1.00 O ATOM 944 CB LEU A 57 -13.617 9.453 10.655 1.00 1.00 C ATOM 945 CG LEU A 57 -13.503 10.960 10.897 1.00 1.00 C ATOM 946 CD1 LEU A 57 -13.668 11.291 12.382 1.00 1.00 C ATOM 947 CD2 LEU A 57 -12.193 11.509 10.330 1.00 1.00 C ATOM 0 H LEU A 57 -14.268 7.004 10.745 1.00 1.00 H new ATOM 0 HA LEU A 57 -15.695 9.552 10.984 1.00 1.00 H new ATOM 0 HB2 LEU A 57 -13.206 8.934 11.521 1.00 1.00 H new ATOM 0 HB3 LEU A 57 -12.991 9.194 9.801 1.00 1.00 H new ATOM 0 HG LEU A 57 -14.316 11.454 10.365 1.00 1.00 H new ATOM 0 HD11 LEU A 57 -13.583 12.368 12.526 1.00 1.00 H new ATOM 0 HD12 LEU A 57 -14.648 10.956 12.723 1.00 1.00 H new ATOM 0 HD13 LEU A 57 -12.891 10.785 12.956 1.00 1.00 H new ATOM 0 HD21 LEU A 57 -12.137 12.582 10.515 1.00 1.00 H new ATOM 0 HD22 LEU A 57 -11.351 11.013 10.813 1.00 1.00 H new ATOM 0 HD23 LEU A 57 -12.155 11.324 9.256 1.00 1.00 H new ATOM 959 N ASN A 58 -16.294 8.073 8.482 1.00 1.00 N ATOM 960 CA ASN A 58 -16.787 8.065 7.115 1.00 1.00 C ATOM 961 C ASN A 58 -18.268 8.446 7.109 1.00 1.00 C ATOM 962 O ASN A 58 -18.572 9.632 6.911 1.00 1.00 O ATOM 963 CB ASN A 58 -16.653 6.675 6.489 1.00 1.00 C ATOM 964 CG ASN A 58 -17.547 6.542 5.254 1.00 1.00 C ATOM 965 OD1 ASN A 58 -18.473 5.593 5.356 1.00 1.00 O flip ATOM 966 ND2 ASN A 58 -17.406 7.254 4.274 1.00 1.00 N flip ATOM 0 H ASN A 58 -16.627 7.295 9.052 1.00 1.00 H new ATOM 0 HA ASN A 58 -16.196 8.778 6.540 1.00 1.00 H new ATOM 0 HB2 ASN A 58 -15.614 6.496 6.212 1.00 1.00 H new ATOM 0 HB3 ASN A 58 -16.923 5.915 7.222 1.00 1.00 H new ATOM 0 HD21 ASN A 58 -16.674 7.964 4.261 1.00 1.00 H new ATOM 0 HD22 ASN A 58 -18.020 7.139 3.468 1.00 1.00 H new ATOM 973 N ASP A 59 -19.147 7.451 7.323 1.00 1.00 N ATOM 974 CA ASP A 59 -20.582 7.681 7.342 1.00 1.00 C ATOM 975 C ASP A 59 -20.988 8.226 8.713 1.00 1.00 C ATOM 976 O ASP A 59 -21.966 8.985 8.779 1.00 1.00 O ATOM 977 CB ASP A 59 -21.351 6.380 7.104 1.00 1.00 C ATOM 978 CG ASP A 59 -21.374 5.899 5.651 1.00 1.00 C ATOM 979 OD1 ASP A 59 -21.985 6.682 4.827 1.00 1.00 O ATOM 980 OD2 ASP A 59 -20.836 4.831 5.323 1.00 1.00 O ATOM 0 H ASP A 59 -18.876 6.481 7.485 1.00 1.00 H new ATOM 0 HA ASP A 59 -20.821 8.391 6.550 1.00 1.00 H new ATOM 0 HB2 ASP A 59 -20.912 5.598 7.723 1.00 1.00 H new ATOM 0 HB3 ASP A 59 -22.378 6.516 7.442 1.00 1.00 H new ATOM 985 N CYS A 60 -20.242 7.834 9.762 1.00 1.00 N ATOM 986 CA CYS A 60 -20.523 8.281 11.115 1.00 1.00 C ATOM 987 C CYS A 60 -21.567 7.357 11.746 1.00 1.00 C ATOM 988 O CYS A 60 -22.320 7.824 12.614 1.00 1.00 O ATOM 989 CB CYS A 60 -20.971 9.744 11.132 1.00 1.00 C ATOM 990 SG CYS A 60 -19.618 10.956 11.127 1.00 1.00 S ATOM 0 H CYS A 60 -19.441 7.207 9.686 1.00 1.00 H new ATOM 0 HA CYS A 60 -19.610 8.229 11.708 1.00 1.00 H new ATOM 0 HB2 CYS A 60 -21.605 9.925 10.264 1.00 1.00 H new ATOM 0 HB3 CYS A 60 -21.586 9.911 12.016 1.00 1.00 H new ATOM 0 HG CYS A 60 -20.112 12.158 11.140 1.00 1.00 H new ATOM 996 N PHE A 61 -21.591 6.087 11.306 1.00 1.00 N ATOM 997 CA PHE A 61 -22.534 5.110 11.824 1.00 1.00 C ATOM 998 C PHE A 61 -22.201 4.813 13.287 1.00 1.00 C ATOM 999 O PHE A 61 -21.263 5.428 13.815 1.00 1.00 O ATOM 1000 CB PHE A 61 -22.455 3.827 10.974 1.00 1.00 C ATOM 1001 CG PHE A 61 -21.194 3.702 10.128 1.00 1.00 C ATOM 1002 CD1 PHE A 61 -19.922 3.734 10.745 1.00 1.00 C ATOM 1003 CD2 PHE A 61 -21.287 3.548 8.726 1.00 1.00 C ATOM 1004 CE1 PHE A 61 -18.752 3.614 9.965 1.00 1.00 C ATOM 1005 CE2 PHE A 61 -20.116 3.428 7.946 1.00 1.00 C ATOM 1006 CZ PHE A 61 -18.849 3.462 8.566 1.00 1.00 C ATOM 0 H PHE A 61 -20.962 5.723 10.591 1.00 1.00 H new ATOM 0 HA PHE A 61 -23.550 5.502 11.770 1.00 1.00 H new ATOM 0 HB2 PHE A 61 -22.519 2.964 11.636 1.00 1.00 H new ATOM 0 HB3 PHE A 61 -23.323 3.789 10.316 1.00 1.00 H new ATOM 0 HD1 PHE A 61 -19.846 3.851 11.816 1.00 1.00 H new ATOM 0 HD2 PHE A 61 -22.256 3.522 8.250 1.00 1.00 H new ATOM 0 HE1 PHE A 61 -17.782 3.639 10.439 1.00 1.00 H new ATOM 0 HE2 PHE A 61 -20.190 3.310 6.875 1.00 1.00 H new ATOM 0 HZ PHE A 61 -17.953 3.372 7.969 1.00 1.00 H new ATOM 1016 N VAL A 62 -22.964 3.891 13.903 1.00 1.00 N ATOM 1017 CA VAL A 62 -22.751 3.519 15.291 1.00 1.00 C ATOM 1018 C VAL A 62 -22.248 2.075 15.356 1.00 1.00 C ATOM 1019 O VAL A 62 -22.760 1.238 14.598 1.00 1.00 O ATOM 1020 CB VAL A 62 -24.033 3.742 16.096 1.00 1.00 C ATOM 1021 CG1 VAL A 62 -24.293 5.235 16.309 1.00 1.00 C ATOM 1022 CG2 VAL A 62 -25.229 3.069 15.420 1.00 1.00 C ATOM 0 H VAL A 62 -23.732 3.396 13.450 1.00 1.00 H new ATOM 0 HA VAL A 62 -21.986 4.151 15.742 1.00 1.00 H new ATOM 0 HB VAL A 62 -23.899 3.282 17.075 1.00 1.00 H new ATOM 0 HG11 VAL A 62 -25.210 5.366 16.884 1.00 1.00 H new ATOM 0 HG12 VAL A 62 -23.458 5.676 16.853 1.00 1.00 H new ATOM 0 HG13 VAL A 62 -24.397 5.728 15.342 1.00 1.00 H new ATOM 0 HG21 VAL A 62 -26.127 3.243 16.013 1.00 1.00 H new ATOM 0 HG22 VAL A 62 -25.366 3.487 14.423 1.00 1.00 H new ATOM 0 HG23 VAL A 62 -25.047 1.997 15.342 1.00 1.00 H new ATOM 1032 N LYS A 63 -21.272 1.816 16.245 1.00 1.00 N ATOM 1033 CA LYS A 63 -20.709 0.487 16.404 1.00 1.00 C ATOM 1034 C LYS A 63 -21.093 -0.064 17.779 1.00 1.00 C ATOM 1035 O LYS A 63 -21.663 0.692 18.579 1.00 1.00 O ATOM 1036 CB LYS A 63 -19.200 0.511 16.151 1.00 1.00 C ATOM 1037 CG LYS A 63 -18.482 1.369 17.194 1.00 1.00 C ATOM 1038 CD LYS A 63 -17.011 0.967 17.317 1.00 1.00 C ATOM 1039 CE LYS A 63 -16.101 2.195 17.259 1.00 1.00 C ATOM 1040 NZ LYS A 63 -15.871 2.731 18.611 1.00 1.00 N ATOM 0 H LYS A 63 -20.864 2.520 16.860 1.00 1.00 H new ATOM 0 HA LYS A 63 -21.123 -0.194 15.660 1.00 1.00 H new ATOM 0 HB2 LYS A 63 -18.807 -0.505 16.178 1.00 1.00 H new ATOM 0 HB3 LYS A 63 -19.001 0.903 15.153 1.00 1.00 H new ATOM 0 HG2 LYS A 63 -18.553 2.421 16.916 1.00 1.00 H new ATOM 0 HG3 LYS A 63 -18.974 1.261 18.160 1.00 1.00 H new ATOM 0 HD2 LYS A 63 -16.853 0.436 18.256 1.00 1.00 H new ATOM 0 HD3 LYS A 63 -16.750 0.278 16.514 1.00 1.00 H new ATOM 0 HE2 LYS A 63 -15.149 1.928 16.800 1.00 1.00 H new ATOM 0 HE3 LYS A 63 -16.554 2.961 16.630 1.00 1.00 H new ATOM 0 HZ1 LYS A 63 -15.251 3.564 18.553 1.00 1.00 H new ATOM 0 HZ2 LYS A 63 -16.780 3.004 19.035 1.00 1.00 H new ATOM 0 HZ3 LYS A 63 -15.419 2.003 19.201 1.00 1.00 H new ATOM 1054 N ILE A 64 -20.779 -1.349 18.022 1.00 1.00 N ATOM 1055 CA ILE A 64 -21.090 -1.992 19.288 1.00 1.00 C ATOM 1056 C ILE A 64 -19.794 -2.226 20.067 1.00 1.00 C ATOM 1057 O ILE A 64 -19.118 -3.230 19.799 1.00 1.00 O ATOM 1058 CB ILE A 64 -21.907 -3.264 19.056 1.00 1.00 C ATOM 1059 CG1 ILE A 64 -23.263 -2.938 18.427 1.00 1.00 C ATOM 1060 CG2 ILE A 64 -22.054 -4.065 20.352 1.00 1.00 C ATOM 1061 CD1 ILE A 64 -23.958 -4.209 17.934 1.00 1.00 C ATOM 0 H ILE A 64 -20.309 -1.955 17.349 1.00 1.00 H new ATOM 0 HA ILE A 64 -21.718 -1.345 19.900 1.00 1.00 H new ATOM 0 HB ILE A 64 -21.367 -3.893 18.348 1.00 1.00 H new ATOM 0 HG12 ILE A 64 -23.895 -2.434 19.158 1.00 1.00 H new ATOM 0 HG13 ILE A 64 -23.125 -2.248 17.594 1.00 1.00 H new ATOM 0 HG21 ILE A 64 -22.639 -4.964 20.160 1.00 1.00 H new ATOM 0 HG22 ILE A 64 -21.067 -4.346 20.720 1.00 1.00 H new ATOM 0 HG23 ILE A 64 -22.561 -3.456 21.101 1.00 1.00 H new ATOM 0 HD11 ILE A 64 -24.920 -3.949 17.491 1.00 1.00 H new ATOM 0 HD12 ILE A 64 -23.334 -4.698 17.186 1.00 1.00 H new ATOM 0 HD13 ILE A 64 -24.116 -4.886 18.773 1.00 1.00 H new ATOM 1073 N PRO A 65 -19.478 -1.311 21.000 1.00 1.00 N ATOM 1074 CA PRO A 65 -18.285 -1.385 21.826 1.00 1.00 C ATOM 1075 C PRO A 65 -18.437 -2.450 22.914 1.00 1.00 C ATOM 1076 O PRO A 65 -17.590 -2.495 23.817 1.00 1.00 O ATOM 1077 CB PRO A 65 -18.107 0.016 22.387 1.00 1.00 C ATOM 1078 CG PRO A 65 -19.455 0.702 22.233 1.00 1.00 C ATOM 1079 CD PRO A 65 -20.299 -0.138 21.288 1.00 1.00 C ATOM 0 HA PRO A 65 -17.402 -1.689 21.264 1.00 1.00 H new ATOM 0 HB2 PRO A 65 -17.804 -0.018 23.433 1.00 1.00 H new ATOM 0 HB3 PRO A 65 -17.330 0.557 21.847 1.00 1.00 H new ATOM 0 HG2 PRO A 65 -19.947 0.799 23.201 1.00 1.00 H new ATOM 0 HG3 PRO A 65 -19.328 1.710 21.838 1.00 1.00 H new ATOM 0 HD2 PRO A 65 -21.246 -0.421 21.748 1.00 1.00 H new ATOM 0 HD3 PRO A 65 -20.539 0.411 20.377 1.00 1.00 H new ATOM 1087 N ARG A 66 -19.497 -3.272 22.808 1.00 1.00 N ATOM 1088 CA ARG A 66 -19.754 -4.325 23.776 1.00 1.00 C ATOM 1089 C ARG A 66 -21.018 -5.086 23.372 1.00 1.00 C ATOM 1090 O ARG A 66 -22.101 -4.734 23.863 1.00 1.00 O ATOM 1091 CB ARG A 66 -19.936 -3.761 25.187 1.00 1.00 C ATOM 1092 CG ARG A 66 -19.628 -4.823 26.245 1.00 1.00 C ATOM 1093 CD ARG A 66 -18.509 -4.358 27.179 1.00 1.00 C ATOM 1094 NE ARG A 66 -17.580 -5.477 27.452 1.00 1.00 N ATOM 1095 CZ ARG A 66 -16.335 -5.323 27.949 1.00 1.00 C ATOM 1096 NH1 ARG A 66 -15.892 -4.088 28.220 1.00 1.00 N ATOM 1097 NH2 ARG A 66 -15.553 -6.389 28.169 1.00 1.00 N ATOM 0 H ARG A 66 -20.184 -3.218 22.056 1.00 1.00 H new ATOM 0 HA ARG A 66 -18.893 -4.993 23.785 1.00 1.00 H new ATOM 0 HB2 ARG A 66 -19.280 -2.902 25.327 1.00 1.00 H new ATOM 0 HB3 ARG A 66 -20.959 -3.404 25.311 1.00 1.00 H new ATOM 0 HG2 ARG A 66 -20.526 -5.035 26.825 1.00 1.00 H new ATOM 0 HG3 ARG A 66 -19.337 -5.753 25.758 1.00 1.00 H new ATOM 0 HD2 ARG A 66 -17.968 -3.527 26.726 1.00 1.00 H new ATOM 0 HD3 ARG A 66 -18.933 -3.990 28.113 1.00 1.00 H new ATOM 0 HE ARG A 66 -17.901 -6.424 27.252 1.00 1.00 H new ATOM 0 HH11 ARG A 66 -16.493 -3.282 28.050 1.00 1.00 H new ATOM 0 HH12 ARG A 66 -14.953 -3.954 28.596 1.00 1.00 H new ATOM 0 HH21 ARG A 66 -15.898 -7.326 27.960 1.00 1.00 H new ATOM 0 HH22 ARG A 66 -14.613 -6.263 28.545 1.00 1.00 H new ATOM 1111 N GLU A 67 -20.860 -6.097 22.499 1.00 1.00 N ATOM 1112 CA GLU A 67 -21.980 -6.897 22.035 1.00 1.00 C ATOM 1113 C GLU A 67 -22.511 -7.744 23.194 1.00 1.00 C ATOM 1114 O GLU A 67 -21.692 -8.279 23.956 1.00 1.00 O ATOM 1115 CB GLU A 67 -21.588 -7.778 20.847 1.00 1.00 C ATOM 1116 CG GLU A 67 -22.560 -7.589 19.681 1.00 1.00 C ATOM 1117 CD GLU A 67 -21.812 -7.223 18.397 1.00 1.00 C ATOM 1118 OE1 GLU A 67 -21.250 -8.107 17.734 1.00 1.00 O ATOM 1119 OE2 GLU A 67 -21.829 -5.970 18.095 1.00 1.00 O ATOM 0 H GLU A 67 -19.959 -6.371 22.106 1.00 1.00 H new ATOM 0 HA GLU A 67 -22.767 -6.228 21.688 1.00 1.00 H new ATOM 0 HB2 GLU A 67 -20.576 -7.532 20.525 1.00 1.00 H new ATOM 0 HB3 GLU A 67 -21.580 -8.824 21.152 1.00 1.00 H new ATOM 0 HG2 GLU A 67 -23.130 -8.505 19.526 1.00 1.00 H new ATOM 0 HG3 GLU A 67 -23.277 -6.805 19.924 1.00 1.00 H new ATOM 1204 N GLY A 74 -17.322 -8.595 19.220 1.00 1.00 N ATOM 1205 CA GLY A 74 -18.442 -8.355 18.326 1.00 1.00 C ATOM 1206 C GLY A 74 -18.780 -6.862 18.329 1.00 1.00 C ATOM 1207 O GLY A 74 -19.182 -6.351 19.385 1.00 1.00 O ATOM 0 HA2 GLY A 74 -18.193 -8.681 17.316 1.00 1.00 H new ATOM 0 HA3 GLY A 74 -19.307 -8.936 18.644 1.00 1.00 H new ATOM 1211 N ASN A 75 -18.614 -6.204 17.168 1.00 1.00 N ATOM 1212 CA ASN A 75 -18.899 -4.786 17.039 1.00 1.00 C ATOM 1213 C ASN A 75 -19.607 -4.531 15.707 1.00 1.00 C ATOM 1214 O ASN A 75 -18.913 -4.336 14.698 1.00 1.00 O ATOM 1215 CB ASN A 75 -17.611 -3.961 17.055 1.00 1.00 C ATOM 1216 CG ASN A 75 -16.837 -4.176 18.358 1.00 1.00 C ATOM 1217 OD1 ASN A 75 -16.912 -5.218 18.989 1.00 1.00 O ATOM 1218 ND2 ASN A 75 -16.094 -3.137 18.723 1.00 1.00 N ATOM 0 H ASN A 75 -18.282 -6.644 16.310 1.00 1.00 H new ATOM 0 HA ASN A 75 -19.526 -4.491 17.880 1.00 1.00 H new ATOM 0 HB2 ASN A 75 -16.986 -4.240 16.207 1.00 1.00 H new ATOM 0 HB3 ASN A 75 -17.851 -2.904 16.941 1.00 1.00 H new ATOM 0 HD21 ASN A 75 -15.540 -3.181 19.578 1.00 1.00 H new ATOM 0 HD22 ASN A 75 -16.077 -2.295 18.148 1.00 1.00 H new ATOM 1225 N TYR A 76 -20.952 -4.539 15.729 1.00 1.00 N ATOM 1226 CA TYR A 76 -21.684 -4.308 14.495 1.00 1.00 C ATOM 1227 C TYR A 76 -21.924 -2.807 14.322 1.00 1.00 C ATOM 1228 O TYR A 76 -22.319 -2.163 15.305 1.00 1.00 O ATOM 1229 CB TYR A 76 -23.004 -5.101 14.506 1.00 1.00 C ATOM 1230 CG TYR A 76 -22.869 -6.545 14.970 1.00 1.00 C ATOM 1231 CD1 TYR A 76 -21.985 -7.423 14.301 1.00 1.00 C ATOM 1232 CD2 TYR A 76 -23.619 -7.016 16.073 1.00 1.00 C ATOM 1233 CE1 TYR A 76 -21.853 -8.761 14.729 1.00 1.00 C ATOM 1234 CE2 TYR A 76 -23.487 -8.354 16.500 1.00 1.00 C ATOM 1235 CZ TYR A 76 -22.605 -9.228 15.829 1.00 1.00 C ATOM 1236 OH TYR A 76 -22.476 -10.525 16.239 1.00 1.00 O ATOM 0 H TYR A 76 -21.525 -4.697 16.558 1.00 1.00 H new ATOM 0 HA TYR A 76 -21.100 -4.660 13.644 1.00 1.00 H new ATOM 0 HB2 TYR A 76 -23.715 -4.589 15.154 1.00 1.00 H new ATOM 0 HB3 TYR A 76 -23.426 -5.093 13.501 1.00 1.00 H new ATOM 0 HD1 TYR A 76 -21.409 -7.068 13.459 1.00 1.00 H new ATOM 0 HD2 TYR A 76 -24.294 -6.350 16.589 1.00 1.00 H new ATOM 0 HE1 TYR A 76 -21.177 -9.428 14.215 1.00 1.00 H new ATOM 0 HE2 TYR A 76 -24.062 -8.710 17.342 1.00 1.00 H new ATOM 0 HH TYR A 76 -23.061 -10.685 17.009 1.00 1.00 H new ATOM 1246 N TRP A 77 -21.678 -2.285 13.107 1.00 1.00 N ATOM 1247 CA TRP A 77 -21.859 -0.872 12.825 1.00 1.00 C ATOM 1248 C TRP A 77 -23.112 -0.684 11.967 1.00 1.00 C ATOM 1249 O TRP A 77 -23.290 -1.450 11.009 1.00 1.00 O ATOM 1250 CB TRP A 77 -20.599 -0.294 12.177 1.00 1.00 C ATOM 1251 CG TRP A 77 -19.325 -0.505 12.998 1.00 1.00 C ATOM 1252 CD1 TRP A 77 -19.032 -1.521 13.821 1.00 1.00 C ATOM 1253 CD2 TRP A 77 -18.176 0.368 13.042 1.00 1.00 C ATOM 1254 NE1 TRP A 77 -17.784 -1.368 14.390 1.00 1.00 N ATOM 1255 CE2 TRP A 77 -17.247 -0.183 13.901 1.00 1.00 C ATOM 1256 CE3 TRP A 77 -17.930 1.582 12.378 1.00 1.00 C ATOM 1257 CZ2 TRP A 77 -16.009 0.411 14.175 1.00 1.00 C ATOM 1258 CZ3 TRP A 77 -16.689 2.163 12.662 1.00 1.00 C ATOM 1259 CH2 TRP A 77 -15.743 1.622 13.524 1.00 1.00 C ATOM 0 H TRP A 77 -21.353 -2.833 12.310 1.00 1.00 H new ATOM 0 HA TRP A 77 -22.011 -0.318 13.751 1.00 1.00 H new ATOM 0 HB2 TRP A 77 -20.466 -0.749 11.195 1.00 1.00 H new ATOM 0 HB3 TRP A 77 -20.743 0.774 12.016 1.00 1.00 H new ATOM 0 HD1 TRP A 77 -19.690 -2.355 14.015 1.00 1.00 H new ATOM 0 HE1 TRP A 77 -17.338 -2.007 15.048 1.00 1.00 H new ATOM 0 HE3 TRP A 77 -18.642 2.031 11.702 1.00 1.00 H new ATOM 0 HZ2 TRP A 77 -15.298 -0.040 14.851 1.00 1.00 H new ATOM 0 HZ3 TRP A 77 -16.450 3.098 12.177 1.00 1.00 H new ATOM 0 HH2 TRP A 77 -14.807 2.133 13.691 1.00 1.00 H new ATOM 1270 N THR A 78 -23.940 0.315 12.321 1.00 1.00 N ATOM 1271 CA THR A 78 -25.163 0.598 11.588 1.00 1.00 C ATOM 1272 C THR A 78 -25.125 2.040 11.080 1.00 1.00 C ATOM 1273 O THR A 78 -24.682 2.919 11.834 1.00 1.00 O ATOM 1274 CB THR A 78 -26.357 0.305 12.499 1.00 1.00 C ATOM 1275 OG1 THR A 78 -26.009 0.919 13.737 1.00 1.00 O ATOM 1276 CG2 THR A 78 -26.481 -1.181 12.842 1.00 1.00 C ATOM 0 H THR A 78 -23.774 0.935 13.114 1.00 1.00 H new ATOM 0 HA THR A 78 -25.261 -0.039 10.709 1.00 1.00 H new ATOM 0 HB THR A 78 -27.273 0.644 12.016 1.00 1.00 H new ATOM 0 HG1 THR A 78 -26.730 0.779 14.386 1.00 1.00 H new ATOM 0 HG21 THR A 78 -27.344 -1.334 13.490 1.00 1.00 H new ATOM 0 HG22 THR A 78 -26.609 -1.757 11.925 1.00 1.00 H new ATOM 0 HG23 THR A 78 -25.578 -1.513 13.355 1.00 1.00 H new ATOM 1284 N LEU A 79 -25.584 2.252 9.833 1.00 1.00 N ATOM 1285 CA LEU A 79 -25.602 3.575 9.234 1.00 1.00 C ATOM 1286 C LEU A 79 -26.688 4.419 9.905 1.00 1.00 C ATOM 1287 O LEU A 79 -27.839 3.961 9.963 1.00 1.00 O ATOM 1288 CB LEU A 79 -25.754 3.473 7.715 1.00 1.00 C ATOM 1289 CG LEU A 79 -24.612 4.065 6.886 1.00 1.00 C ATOM 1290 CD1 LEU A 79 -23.765 2.960 6.252 1.00 1.00 C ATOM 1291 CD2 LEU A 79 -25.146 5.048 5.842 1.00 1.00 C ATOM 0 H LEU A 79 -25.946 1.514 9.229 1.00 1.00 H new ATOM 0 HA LEU A 79 -24.652 4.083 9.403 1.00 1.00 H new ATOM 0 HB2 LEU A 79 -25.861 2.421 7.450 1.00 1.00 H new ATOM 0 HB3 LEU A 79 -26.681 3.970 7.428 1.00 1.00 H new ATOM 0 HG LEU A 79 -23.960 4.627 7.554 1.00 1.00 H new ATOM 0 HD11 LEU A 79 -22.961 3.408 5.668 1.00 1.00 H new ATOM 0 HD12 LEU A 79 -23.339 2.333 7.035 1.00 1.00 H new ATOM 0 HD13 LEU A 79 -24.391 2.351 5.600 1.00 1.00 H new ATOM 0 HD21 LEU A 79 -24.315 5.455 5.266 1.00 1.00 H new ATOM 0 HD22 LEU A 79 -25.832 4.530 5.172 1.00 1.00 H new ATOM 0 HD23 LEU A 79 -25.672 5.861 6.343 1.00 1.00 H new ATOM 1303 N ASP A 80 -26.308 5.614 10.390 1.00 1.00 N ATOM 1304 CA ASP A 80 -27.242 6.510 11.050 1.00 1.00 C ATOM 1305 C ASP A 80 -28.196 7.102 10.009 1.00 1.00 C ATOM 1306 O ASP A 80 -27.721 7.509 8.939 1.00 1.00 O ATOM 1307 CB ASP A 80 -26.508 7.668 11.730 1.00 1.00 C ATOM 1308 CG ASP A 80 -26.041 8.780 10.789 1.00 1.00 C ATOM 1309 OD1 ASP A 80 -25.574 8.376 9.657 1.00 1.00 O ATOM 1310 OD2 ASP A 80 -26.120 9.972 11.121 1.00 1.00 O ATOM 0 H ASP A 80 -25.355 5.972 10.331 1.00 1.00 H new ATOM 0 HA ASP A 80 -27.786 5.937 11.801 1.00 1.00 H new ATOM 0 HB2 ASP A 80 -27.165 8.102 12.483 1.00 1.00 H new ATOM 0 HB3 ASP A 80 -25.640 7.269 12.256 1.00 1.00 H new