USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=22 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 54 ASN :FLIP amide:sc= -2.61 F(o=-9.2!,f=-5.8) USER MOD Set 1.2: A 58 ASN : amide:sc= -3.23 K(o=-5.8,f=-6.9!) USER MOD Set 2.1: A 8 TYR OH : rot -73:sc= 0.313 USER MOD Set 2.2: A 50 SER OG : rot 150:sc= -1.66! USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 71:sc= -3.3 USER MOD Single : A 14 MET CE :methyl -142:sc= -6.3! (180deg=-8.03!) USER MOD Single : A 18 GLN :FLIP amide:sc= -0.632 F(o=-1.9,f=-0.63) USER MOD Single : A 19 SER OG : rot -72:sc= -0.708 USER MOD Single : A 21 GLN : amide:sc= -0.418 K(o=-0.42,f=-3.1!) 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 6:sc= 0.964 USER MOD Single : A 27 SER OG : rot 180:sc=1.63e-06 USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= -0.218 USER MOD Single : A 35 ASN : amide:sc= -0.746 X(o=-0.75,f=-0.97) 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 :FLIP amide:sc= -5.69! C(o=-6.7!,f=-5.7!) USER MOD Single : A 49 ASN : amide:sc= -0.552 X(o=-0.55,f=-0.058) USER MOD Single : A 53 HIS : no HE2:sc= -1.6 X(o=-1.6,f=-1.8!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 60 CYS SG : rot 86:sc= -2.28! USER MOD Single : A 63 LYS NZ :NH3+ -137:sc= -0.399! (180deg=-4.23!) USER MOD Single : A 75 ASN :FLIP amide:sc= -0.0527 F(o=-1.7,f=-0.053) USER MOD Single : A 76 TYR OH : rot -37:sc= 1.25 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 105 N SER A 7 -5.699 10.182 -7.142 1.00 1.00 N ATOM 106 CA SER A 7 -6.285 11.493 -7.366 1.00 1.00 C ATOM 107 C SER A 7 -6.452 12.208 -6.024 1.00 1.00 C ATOM 108 O SER A 7 -6.909 11.566 -5.067 1.00 1.00 O ATOM 109 CB SER A 7 -7.632 11.389 -8.084 1.00 1.00 C ATOM 110 OG SER A 7 -7.593 11.981 -9.380 1.00 1.00 O ATOM 0 HA SER A 7 -5.616 12.067 -8.007 1.00 1.00 H new ATOM 0 HB2 SER A 7 -7.916 10.340 -8.173 1.00 1.00 H new ATOM 0 HB3 SER A 7 -8.401 11.877 -7.485 1.00 1.00 H new ATOM 0 HG SER A 7 -8.471 11.893 -9.807 1.00 1.00 H new ATOM 116 N TYR A 8 -6.086 13.502 -5.980 1.00 1.00 N ATOM 117 CA TYR A 8 -6.216 14.236 -4.734 1.00 1.00 C ATOM 118 C TYR A 8 -7.671 14.674 -4.554 1.00 1.00 C ATOM 119 O TYR A 8 -8.233 14.405 -3.482 1.00 1.00 O ATOM 120 CB TYR A 8 -5.251 15.436 -4.722 1.00 1.00 C ATOM 121 CG TYR A 8 -4.068 15.285 -3.777 1.00 1.00 C ATOM 122 CD1 TYR A 8 -2.997 14.421 -4.103 1.00 1.00 C ATOM 123 CD2 TYR A 8 -4.037 16.007 -2.562 1.00 1.00 C ATOM 124 CE1 TYR A 8 -1.903 14.283 -3.221 1.00 1.00 C ATOM 125 CE2 TYR A 8 -2.944 15.869 -1.680 1.00 1.00 C ATOM 126 CZ TYR A 8 -1.875 15.007 -2.009 1.00 1.00 C ATOM 127 OH TYR A 8 -0.818 14.877 -1.154 1.00 1.00 O ATOM 0 H TYR A 8 -5.713 14.034 -6.766 1.00 1.00 H new ATOM 0 HA TYR A 8 -5.947 13.595 -3.895 1.00 1.00 H new ATOM 0 HB2 TYR A 8 -4.875 15.593 -5.733 1.00 1.00 H new ATOM 0 HB3 TYR A 8 -5.808 16.331 -4.446 1.00 1.00 H new ATOM 0 HD1 TYR A 8 -3.016 13.865 -5.029 1.00 1.00 H new ATOM 0 HD2 TYR A 8 -4.853 16.667 -2.308 1.00 1.00 H new ATOM 0 HE1 TYR A 8 -1.087 13.623 -3.474 1.00 1.00 H new ATOM 0 HE2 TYR A 8 -2.925 16.423 -0.753 1.00 1.00 H new ATOM 0 HH TYR A 8 -0.863 14.005 -0.709 1.00 1.00 H new ATOM 137 N ILE A 9 -8.241 15.333 -5.579 1.00 1.00 N ATOM 138 CA ILE A 9 -9.613 15.807 -5.522 1.00 1.00 C ATOM 139 C ILE A 9 -10.535 14.644 -5.150 1.00 1.00 C ATOM 140 O ILE A 9 -11.449 14.852 -4.338 1.00 1.00 O ATOM 141 CB ILE A 9 -9.996 16.500 -6.831 1.00 1.00 C ATOM 142 CG1 ILE A 9 -10.295 15.475 -7.927 1.00 1.00 C ATOM 143 CG2 ILE A 9 -8.918 17.498 -7.259 1.00 1.00 C ATOM 144 CD1 ILE A 9 -9.002 14.878 -8.486 1.00 1.00 C ATOM 0 H ILE A 9 -7.761 15.544 -6.454 1.00 1.00 H new ATOM 0 HA ILE A 9 -9.722 16.563 -4.744 1.00 1.00 H new ATOM 0 HB ILE A 9 -10.911 17.067 -6.662 1.00 1.00 H new ATOM 0 HG12 ILE A 9 -10.923 14.680 -7.525 1.00 1.00 H new ATOM 0 HG13 ILE A 9 -10.858 15.950 -8.731 1.00 1.00 H new ATOM 0 HG21 ILE A 9 -9.215 17.977 -8.192 1.00 1.00 H new ATOM 0 HG22 ILE A 9 -8.796 18.256 -6.485 1.00 1.00 H new ATOM 0 HG23 ILE A 9 -7.974 16.973 -7.405 1.00 1.00 H new ATOM 0 HD11 ILE A 9 -9.242 14.153 -9.263 1.00 1.00 H new ATOM 0 HD12 ILE A 9 -8.387 15.673 -8.909 1.00 1.00 H new ATOM 0 HD13 ILE A 9 -8.454 14.383 -7.685 1.00 1.00 H new ATOM 156 N ALA A 10 -10.282 13.462 -5.740 1.00 1.00 N ATOM 157 CA ALA A 10 -11.083 12.280 -5.472 1.00 1.00 C ATOM 158 C ALA A 10 -10.809 11.796 -4.046 1.00 1.00 C ATOM 159 O ALA A 10 -11.653 11.074 -3.496 1.00 1.00 O ATOM 160 CB ALA A 10 -10.651 11.144 -6.401 1.00 1.00 C ATOM 0 H ALA A 10 -9.524 13.312 -6.406 1.00 1.00 H new ATOM 0 HA ALA A 10 -12.133 12.534 -5.617 1.00 1.00 H new ATOM 0 HB1 ALA A 10 -11.253 10.259 -6.198 1.00 1.00 H new ATOM 0 HB2 ALA A 10 -10.792 11.449 -7.438 1.00 1.00 H new ATOM 0 HB3 ALA A 10 -9.599 10.914 -6.230 1.00 1.00 H new ATOM 166 N LEU A 11 -9.653 12.196 -3.486 1.00 1.00 N ATOM 167 CA LEU A 11 -9.275 11.806 -2.139 1.00 1.00 C ATOM 168 C LEU A 11 -9.990 12.708 -1.131 1.00 1.00 C ATOM 169 O LEU A 11 -10.378 12.209 -0.065 1.00 1.00 O ATOM 170 CB LEU A 11 -7.752 11.804 -1.989 1.00 1.00 C ATOM 171 CG LEU A 11 -7.217 12.010 -0.571 1.00 1.00 C ATOM 172 CD1 LEU A 11 -6.757 10.685 0.040 1.00 1.00 C ATOM 173 CD2 LEU A 11 -6.110 13.066 -0.551 1.00 1.00 C ATOM 0 H LEU A 11 -8.971 12.791 -3.957 1.00 1.00 H new ATOM 0 HA LEU A 11 -9.594 10.784 -1.935 1.00 1.00 H new ATOM 0 HB2 LEU A 11 -7.371 10.855 -2.365 1.00 1.00 H new ATOM 0 HB3 LEU A 11 -7.343 12.587 -2.628 1.00 1.00 H new ATOM 0 HG LEU A 11 -8.031 12.385 0.050 1.00 1.00 H new ATOM 0 HD11 LEU A 11 -6.381 10.860 1.048 1.00 1.00 H new ATOM 0 HD12 LEU A 11 -7.597 9.992 0.081 1.00 1.00 H new ATOM 0 HD13 LEU A 11 -5.964 10.257 -0.573 1.00 1.00 H new ATOM 0 HD21 LEU A 11 -5.747 13.193 0.469 1.00 1.00 H new ATOM 0 HD22 LEU A 11 -5.289 12.744 -1.191 1.00 1.00 H new ATOM 0 HD23 LEU A 11 -6.505 14.014 -0.917 1.00 1.00 H new ATOM 185 N ILE A 12 -10.148 13.997 -1.483 1.00 1.00 N ATOM 186 CA ILE A 12 -10.811 14.956 -0.616 1.00 1.00 C ATOM 187 C ILE A 12 -12.327 14.807 -0.761 1.00 1.00 C ATOM 188 O ILE A 12 -13.033 14.950 0.248 1.00 1.00 O ATOM 189 CB ILE A 12 -10.303 16.372 -0.896 1.00 1.00 C ATOM 190 CG1 ILE A 12 -9.106 16.711 -0.004 1.00 1.00 C ATOM 191 CG2 ILE A 12 -11.430 17.396 -0.756 1.00 1.00 C ATOM 192 CD1 ILE A 12 -8.010 15.651 -0.132 1.00 1.00 C ATOM 0 H ILE A 12 -9.821 14.388 -2.366 1.00 1.00 H new ATOM 0 HA ILE A 12 -10.569 14.756 0.428 1.00 1.00 H new ATOM 0 HB ILE A 12 -9.957 16.413 -1.929 1.00 1.00 H new ATOM 0 HG12 ILE A 12 -8.707 17.687 -0.280 1.00 1.00 H new ATOM 0 HG13 ILE A 12 -9.430 16.781 1.034 1.00 1.00 H new ATOM 0 HG21 ILE A 12 -11.042 18.394 -0.960 1.00 1.00 H new ATOM 0 HG22 ILE A 12 -12.224 17.163 -1.466 1.00 1.00 H new ATOM 0 HG23 ILE A 12 -11.829 17.362 0.258 1.00 1.00 H new ATOM 0 HD11 ILE A 12 -7.171 15.915 0.512 1.00 1.00 H new ATOM 0 HD12 ILE A 12 -8.406 14.681 0.168 1.00 1.00 H new ATOM 0 HD13 ILE A 12 -7.671 15.601 -1.167 1.00 1.00 H new ATOM 204 N THR A 13 -12.789 14.526 -1.993 1.00 1.00 N ATOM 205 CA THR A 13 -14.206 14.360 -2.264 1.00 1.00 C ATOM 206 C THR A 13 -14.819 13.442 -1.205 1.00 1.00 C ATOM 207 O THR A 13 -15.925 13.743 -0.731 1.00 1.00 O ATOM 208 CB THR A 13 -14.373 13.836 -3.692 1.00 1.00 C ATOM 209 OG1 THR A 13 -13.313 12.895 -3.842 1.00 1.00 O ATOM 210 CG2 THR A 13 -14.074 14.904 -4.746 1.00 1.00 C ATOM 0 H THR A 13 -12.190 14.411 -2.811 1.00 1.00 H new ATOM 0 HA THR A 13 -14.740 15.308 -2.202 1.00 1.00 H new ATOM 0 HB THR A 13 -15.390 13.467 -3.827 1.00 1.00 H new ATOM 0 HG1 THR A 13 -13.502 12.100 -3.301 1.00 1.00 H new ATOM 0 HG21 THR A 13 -14.207 14.480 -5.741 1.00 1.00 H new ATOM 0 HG22 THR A 13 -14.755 15.745 -4.615 1.00 1.00 H new ATOM 0 HG23 THR A 13 -13.046 15.249 -4.633 1.00 1.00 H new ATOM 218 N MET A 14 -14.102 12.358 -0.860 1.00 1.00 N ATOM 219 CA MET A 14 -14.573 11.407 0.133 1.00 1.00 C ATOM 220 C MET A 14 -14.240 11.931 1.532 1.00 1.00 C ATOM 221 O MET A 14 -14.922 11.533 2.488 1.00 1.00 O ATOM 222 CB MET A 14 -13.906 10.046 -0.074 1.00 1.00 C ATOM 223 CG MET A 14 -12.389 10.193 -0.205 1.00 1.00 C ATOM 224 SD MET A 14 -11.597 8.560 -0.121 1.00 1.00 S ATOM 225 CE MET A 14 -9.921 9.048 0.384 1.00 1.00 C ATOM 0 H MET A 14 -13.193 12.128 -1.262 1.00 1.00 H new ATOM 0 HA MET A 14 -15.651 11.289 0.028 1.00 1.00 H new ATOM 0 HB2 MET A 14 -14.140 9.391 0.765 1.00 1.00 H new ATOM 0 HB3 MET A 14 -14.308 9.573 -0.970 1.00 1.00 H new ATOM 0 HG2 MET A 14 -12.143 10.678 -1.150 1.00 1.00 H new ATOM 0 HG3 MET A 14 -12.007 10.833 0.591 1.00 1.00 H new ATOM 0 HE1 MET A 14 -9.190 8.419 -0.124 1.00 1.00 H new ATOM 0 HE2 MET A 14 -9.750 10.091 0.117 1.00 1.00 H new ATOM 0 HE3 MET A 14 -9.816 8.927 1.462 1.00 1.00 H new ATOM 235 N ALA A 15 -13.216 12.798 1.622 1.00 1.00 N ATOM 236 CA ALA A 15 -12.800 13.369 2.892 1.00 1.00 C ATOM 237 C ALA A 15 -13.887 14.318 3.401 1.00 1.00 C ATOM 238 O ALA A 15 -14.365 14.119 4.527 1.00 1.00 O ATOM 239 CB ALA A 15 -11.547 14.222 2.688 1.00 1.00 C ATOM 0 H ALA A 15 -12.667 13.112 0.822 1.00 1.00 H new ATOM 0 HA ALA A 15 -12.616 12.554 3.592 1.00 1.00 H new ATOM 0 HB1 ALA A 15 -11.238 14.649 3.642 1.00 1.00 H new ATOM 0 HB2 ALA A 15 -10.744 13.600 2.291 1.00 1.00 H new ATOM 0 HB3 ALA A 15 -11.765 15.026 1.985 1.00 1.00 H new ATOM 245 N ILE A 16 -14.249 15.316 2.575 1.00 1.00 N ATOM 246 CA ILE A 16 -15.269 16.285 2.938 1.00 1.00 C ATOM 247 C ILE A 16 -16.454 15.556 3.575 1.00 1.00 C ATOM 248 O ILE A 16 -16.910 15.992 4.643 1.00 1.00 O ATOM 249 CB ILE A 16 -15.651 17.140 1.728 1.00 1.00 C ATOM 250 CG1 ILE A 16 -15.960 18.578 2.149 1.00 1.00 C ATOM 251 CG2 ILE A 16 -16.810 16.508 0.954 1.00 1.00 C ATOM 252 CD1 ILE A 16 -17.074 18.616 3.197 1.00 1.00 C ATOM 0 H ILE A 16 -13.842 15.463 1.651 1.00 1.00 H new ATOM 0 HA ILE A 16 -14.885 16.982 3.683 1.00 1.00 H new ATOM 0 HB ILE A 16 -14.796 17.178 1.053 1.00 1.00 H new ATOM 0 HG12 ILE A 16 -15.061 19.044 2.552 1.00 1.00 H new ATOM 0 HG13 ILE A 16 -16.257 19.160 1.277 1.00 1.00 H new ATOM 0 HG21 ILE A 16 -17.062 17.136 0.099 1.00 1.00 H new ATOM 0 HG22 ILE A 16 -16.517 15.518 0.604 1.00 1.00 H new ATOM 0 HG23 ILE A 16 -17.678 16.419 1.607 1.00 1.00 H new ATOM 0 HD11 ILE A 16 -17.274 19.650 3.479 1.00 1.00 H new ATOM 0 HD12 ILE A 16 -17.979 18.172 2.782 1.00 1.00 H new ATOM 0 HD13 ILE A 16 -16.764 18.053 4.078 1.00 1.00 H new ATOM 264 N LEU A 17 -16.923 14.480 2.919 1.00 1.00 N ATOM 265 CA LEU A 17 -18.043 13.701 3.418 1.00 1.00 C ATOM 266 C LEU A 17 -17.799 13.345 4.886 1.00 1.00 C ATOM 267 O LEU A 17 -18.780 13.134 5.613 1.00 1.00 O ATOM 268 CB LEU A 17 -18.291 12.484 2.524 1.00 1.00 C ATOM 269 CG LEU A 17 -19.312 12.674 1.400 1.00 1.00 C ATOM 270 CD1 LEU A 17 -18.656 13.287 0.162 1.00 1.00 C ATOM 271 CD2 LEU A 17 -20.025 11.359 1.080 1.00 1.00 C ATOM 0 H LEU A 17 -16.534 14.138 2.040 1.00 1.00 H new ATOM 0 HA LEU A 17 -18.961 14.288 3.380 1.00 1.00 H new ATOM 0 HB2 LEU A 17 -17.342 12.185 2.079 1.00 1.00 H new ATOM 0 HB3 LEU A 17 -18.622 11.658 3.153 1.00 1.00 H new ATOM 0 HG LEU A 17 -20.071 13.377 1.743 1.00 1.00 H new ATOM 0 HD11 LEU A 17 -19.403 13.411 -0.622 1.00 1.00 H new ATOM 0 HD12 LEU A 17 -18.233 14.259 0.418 1.00 1.00 H new ATOM 0 HD13 LEU A 17 -17.863 12.629 -0.194 1.00 1.00 H new ATOM 0 HD21 LEU A 17 -20.745 11.521 0.278 1.00 1.00 H new ATOM 0 HD22 LEU A 17 -19.293 10.615 0.765 1.00 1.00 H new ATOM 0 HD23 LEU A 17 -20.546 11.002 1.968 1.00 1.00 H new ATOM 283 N GLN A 18 -16.516 13.288 5.286 1.00 1.00 N ATOM 284 CA GLN A 18 -16.149 12.962 6.653 1.00 1.00 C ATOM 285 C GLN A 18 -17.028 13.762 7.617 1.00 1.00 C ATOM 286 O GLN A 18 -17.256 13.287 8.739 1.00 1.00 O ATOM 287 CB GLN A 18 -14.665 13.227 6.916 1.00 1.00 C ATOM 288 CG GLN A 18 -13.793 12.150 6.268 1.00 1.00 C ATOM 289 CD GLN A 18 -13.825 10.855 7.082 1.00 1.00 C ATOM 290 OE1 GLN A 18 -13.056 10.879 8.167 1.00 1.00 O flip ATOM 291 NE2 GLN A 18 -14.503 9.898 6.748 1.00 1.00 N flip ATOM 0 H GLN A 18 -15.722 13.466 4.671 1.00 1.00 H new ATOM 0 HA GLN A 18 -16.314 11.897 6.814 1.00 1.00 H new ATOM 0 HB2 GLN A 18 -14.392 14.206 6.523 1.00 1.00 H new ATOM 0 HB3 GLN A 18 -14.481 13.251 7.990 1.00 1.00 H new ATOM 0 HG2 GLN A 18 -14.143 11.955 5.254 1.00 1.00 H new ATOM 0 HG3 GLN A 18 -12.767 12.508 6.188 1.00 1.00 H new ATOM 0 HE21 GLN A 18 -15.071 9.946 5.902 1.00 1.00 H new ATOM 0 HE22 GLN A 18 -14.502 9.050 7.314 1.00 1.00 H new ATOM 300 N SER A 19 -17.496 14.940 7.168 1.00 1.00 N ATOM 301 CA SER A 19 -18.341 15.794 7.986 1.00 1.00 C ATOM 302 C SER A 19 -19.794 15.658 7.525 1.00 1.00 C ATOM 303 O SER A 19 -20.136 16.226 6.478 1.00 1.00 O ATOM 304 CB SER A 19 -17.896 17.257 7.913 1.00 1.00 C ATOM 305 OG SER A 19 -16.584 17.442 8.437 1.00 1.00 O ATOM 0 H SER A 19 -17.297 15.313 6.240 1.00 1.00 H new ATOM 0 HA SER A 19 -18.253 15.476 9.025 1.00 1.00 H new ATOM 0 HB2 SER A 19 -17.923 17.593 6.876 1.00 1.00 H new ATOM 0 HB3 SER A 19 -18.599 17.878 8.468 1.00 1.00 H new ATOM 0 HG SER A 19 -16.605 17.349 9.412 1.00 1.00 H new ATOM 311 N PRO A 20 -20.605 14.920 8.304 1.00 1.00 N ATOM 312 CA PRO A 20 -22.010 14.691 8.009 1.00 1.00 C ATOM 313 C PRO A 20 -22.843 15.938 8.313 1.00 1.00 C ATOM 314 O PRO A 20 -24.067 15.890 8.124 1.00 1.00 O ATOM 315 CB PRO A 20 -22.400 13.494 8.859 1.00 1.00 C ATOM 316 CG PRO A 20 -21.337 13.385 9.940 1.00 1.00 C ATOM 317 CD PRO A 20 -20.166 14.264 9.532 1.00 1.00 C ATOM 0 HA PRO A 20 -22.192 14.488 6.953 1.00 1.00 H new ATOM 0 HB2 PRO A 20 -23.389 13.631 9.296 1.00 1.00 H new ATOM 0 HB3 PRO A 20 -22.441 12.585 8.258 1.00 1.00 H new ATOM 0 HG2 PRO A 20 -21.737 13.704 10.902 1.00 1.00 H new ATOM 0 HG3 PRO A 20 -21.015 12.350 10.056 1.00 1.00 H new ATOM 0 HD2 PRO A 20 -19.929 14.993 10.307 1.00 1.00 H new ATOM 0 HD3 PRO A 20 -19.266 13.672 9.365 1.00 1.00 H new ATOM 325 N GLN A 21 -22.175 17.012 8.771 1.00 1.00 N ATOM 326 CA GLN A 21 -22.850 18.257 9.097 1.00 1.00 C ATOM 327 C GLN A 21 -22.206 19.402 8.311 1.00 1.00 C ATOM 328 O GLN A 21 -22.747 19.773 7.260 1.00 1.00 O ATOM 329 CB GLN A 21 -22.817 18.537 10.600 1.00 1.00 C ATOM 330 CG GLN A 21 -23.441 19.897 10.919 1.00 1.00 C ATOM 331 CD GLN A 21 -24.722 19.734 11.740 1.00 1.00 C ATOM 332 OE1 GLN A 21 -25.086 18.648 12.161 1.00 1.00 O ATOM 333 NE2 GLN A 21 -25.383 20.870 11.942 1.00 1.00 N ATOM 0 H GLN A 21 -21.166 17.031 8.920 1.00 1.00 H new ATOM 0 HA GLN A 21 -23.899 18.171 8.813 1.00 1.00 H new ATOM 0 HB2 GLN A 21 -23.355 17.752 11.131 1.00 1.00 H new ATOM 0 HB3 GLN A 21 -21.787 18.513 10.955 1.00 1.00 H new ATOM 0 HG2 GLN A 21 -22.727 20.508 11.471 1.00 1.00 H new ATOM 0 HG3 GLN A 21 -23.664 20.425 9.992 1.00 1.00 H new ATOM 0 HE21 GLN A 21 -25.022 21.745 11.561 1.00 1.00 H new ATOM 0 HE22 GLN A 21 -26.251 20.867 12.478 1.00 1.00 H new ATOM 342 N LYS A 22 -21.082 19.929 8.828 1.00 1.00 N ATOM 343 CA LYS A 22 -20.374 21.020 8.180 1.00 1.00 C ATOM 344 C LYS A 22 -19.168 21.418 9.033 1.00 1.00 C ATOM 345 O LYS A 22 -18.889 22.622 9.134 1.00 1.00 O ATOM 346 CB LYS A 22 -21.330 22.179 7.887 1.00 1.00 C ATOM 347 CG LYS A 22 -21.898 22.762 9.182 1.00 1.00 C ATOM 348 CD LYS A 22 -23.413 22.951 9.079 1.00 1.00 C ATOM 349 CE LYS A 22 -23.766 24.413 8.799 1.00 1.00 C ATOM 350 NZ LYS A 22 -25.226 24.592 8.757 1.00 1.00 N ATOM 0 H LYS A 22 -20.652 19.608 9.696 1.00 1.00 H new ATOM 0 HA LYS A 22 -19.988 20.702 7.211 1.00 1.00 H new ATOM 0 HB2 LYS A 22 -20.805 22.957 7.333 1.00 1.00 H new ATOM 0 HB3 LYS A 22 -22.145 21.831 7.252 1.00 1.00 H new ATOM 0 HG2 LYS A 22 -21.666 22.099 10.016 1.00 1.00 H new ATOM 0 HG3 LYS A 22 -21.422 23.719 9.394 1.00 1.00 H new ATOM 0 HD2 LYS A 22 -23.809 22.319 8.284 1.00 1.00 H new ATOM 0 HD3 LYS A 22 -23.887 22.630 10.007 1.00 1.00 H new ATOM 0 HE2 LYS A 22 -23.338 25.051 9.572 1.00 1.00 H new ATOM 0 HE3 LYS A 22 -23.328 24.724 7.850 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 -25.448 25.590 8.566 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 -25.627 23.998 8.004 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 -25.636 24.315 9.672 1.00 1.00 H new ATOM 364 N LYS A 23 -18.488 20.417 9.619 1.00 1.00 N ATOM 365 CA LYS A 23 -17.324 20.662 10.454 1.00 1.00 C ATOM 366 C LYS A 23 -16.198 19.711 10.043 1.00 1.00 C ATOM 367 O LYS A 23 -16.131 18.603 10.594 1.00 1.00 O ATOM 368 CB LYS A 23 -17.698 20.568 11.934 1.00 1.00 C ATOM 369 CG LYS A 23 -18.292 21.886 12.434 1.00 1.00 C ATOM 370 CD LYS A 23 -19.737 21.694 12.902 1.00 1.00 C ATOM 371 CE LYS A 23 -20.418 23.042 13.144 1.00 1.00 C ATOM 372 NZ LYS A 23 -21.882 22.884 13.160 1.00 1.00 N ATOM 0 H LYS A 23 -18.734 19.432 9.522 1.00 1.00 H new ATOM 0 HA LYS A 23 -16.955 21.677 10.306 1.00 1.00 H new ATOM 0 HB2 LYS A 23 -18.417 19.762 12.081 1.00 1.00 H new ATOM 0 HB3 LYS A 23 -16.814 20.317 12.521 1.00 1.00 H new ATOM 0 HG2 LYS A 23 -17.688 22.273 13.255 1.00 1.00 H new ATOM 0 HG3 LYS A 23 -18.260 22.629 11.637 1.00 1.00 H new ATOM 0 HD2 LYS A 23 -20.294 21.130 12.153 1.00 1.00 H new ATOM 0 HD3 LYS A 23 -19.751 21.106 13.819 1.00 1.00 H new ATOM 0 HE2 LYS A 23 -20.081 23.461 14.092 1.00 1.00 H new ATOM 0 HE3 LYS A 23 -20.131 23.747 12.364 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 -22.329 23.808 13.325 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 -22.200 22.504 12.246 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 -22.152 22.228 13.920 1.00 1.00 H new ATOM 386 N LEU A 24 -15.350 20.155 9.098 1.00 1.00 N ATOM 387 CA LEU A 24 -14.239 19.350 8.620 1.00 1.00 C ATOM 388 C LEU A 24 -13.108 19.388 9.649 1.00 1.00 C ATOM 389 O LEU A 24 -12.542 20.470 9.865 1.00 1.00 O ATOM 390 CB LEU A 24 -13.813 19.800 7.221 1.00 1.00 C ATOM 391 CG LEU A 24 -13.818 18.719 6.138 1.00 1.00 C ATOM 392 CD1 LEU A 24 -13.745 19.341 4.743 1.00 1.00 C ATOM 393 CD2 LEU A 24 -12.699 17.703 6.372 1.00 1.00 C ATOM 0 H LEU A 24 -15.423 21.071 8.656 1.00 1.00 H new ATOM 0 HA LEU A 24 -14.541 18.308 8.516 1.00 1.00 H new ATOM 0 HB2 LEU A 24 -14.473 20.607 6.904 1.00 1.00 H new ATOM 0 HB3 LEU A 24 -12.808 20.217 7.285 1.00 1.00 H new ATOM 0 HG LEU A 24 -14.762 18.178 6.200 1.00 1.00 H new ATOM 0 HD11 LEU A 24 -13.750 18.551 3.992 1.00 1.00 H new ATOM 0 HD12 LEU A 24 -14.605 19.993 4.590 1.00 1.00 H new ATOM 0 HD13 LEU A 24 -12.828 19.923 4.652 1.00 1.00 H new ATOM 0 HD21 LEU A 24 -12.725 16.946 5.588 1.00 1.00 H new ATOM 0 HD22 LEU A 24 -11.735 18.212 6.353 1.00 1.00 H new ATOM 0 HD23 LEU A 24 -12.838 17.226 7.342 1.00 1.00 H new ATOM 405 N THR A 25 -12.805 18.225 10.255 1.00 1.00 N ATOM 406 CA THR A 25 -11.751 18.127 11.250 1.00 1.00 C ATOM 407 C THR A 25 -10.504 17.517 10.608 1.00 1.00 C ATOM 408 O THR A 25 -10.444 16.284 10.490 1.00 1.00 O ATOM 409 CB THR A 25 -12.277 17.323 12.441 1.00 1.00 C ATOM 410 OG1 THR A 25 -12.451 16.007 11.921 1.00 1.00 O ATOM 411 CG2 THR A 25 -13.686 17.748 12.858 1.00 1.00 C ATOM 0 H THR A 25 -13.284 17.345 10.064 1.00 1.00 H new ATOM 0 HA THR A 25 -11.460 19.109 11.624 1.00 1.00 H new ATOM 0 HB THR A 25 -11.598 17.439 13.286 1.00 1.00 H new ATOM 0 HG1 THR A 25 -12.109 15.970 11.003 1.00 1.00 H new ATOM 0 HG21 THR A 25 -14.011 17.146 13.707 1.00 1.00 H new ATOM 0 HG22 THR A 25 -13.680 18.801 13.141 1.00 1.00 H new ATOM 0 HG23 THR A 25 -14.372 17.600 12.024 1.00 1.00 H new ATOM 419 N LEU A 26 -9.548 18.377 10.213 1.00 1.00 N ATOM 420 CA LEU A 26 -8.315 17.925 9.590 1.00 1.00 C ATOM 421 C LEU A 26 -7.671 16.849 10.466 1.00 1.00 C ATOM 422 O LEU A 26 -6.864 16.067 9.941 1.00 1.00 O ATOM 423 CB LEU A 26 -7.396 19.113 9.298 1.00 1.00 C ATOM 424 CG LEU A 26 -6.443 19.517 10.425 1.00 1.00 C ATOM 425 CD1 LEU A 26 -5.148 18.705 10.364 1.00 1.00 C ATOM 426 CD2 LEU A 26 -6.178 21.023 10.405 1.00 1.00 C ATOM 0 H LEU A 26 -9.617 19.389 10.320 1.00 1.00 H new ATOM 0 HA LEU A 26 -8.522 17.467 8.623 1.00 1.00 H new ATOM 0 HB2 LEU A 26 -6.803 18.879 8.414 1.00 1.00 H new ATOM 0 HB3 LEU A 26 -8.016 19.974 9.047 1.00 1.00 H new ATOM 0 HG LEU A 26 -6.922 19.288 11.377 1.00 1.00 H new ATOM 0 HD11 LEU A 26 -4.488 19.011 11.176 1.00 1.00 H new ATOM 0 HD12 LEU A 26 -5.379 17.644 10.464 1.00 1.00 H new ATOM 0 HD13 LEU A 26 -4.654 18.880 9.408 1.00 1.00 H new ATOM 0 HD21 LEU A 26 -5.498 21.284 11.216 1.00 1.00 H new ATOM 0 HD22 LEU A 26 -5.729 21.301 9.451 1.00 1.00 H new ATOM 0 HD23 LEU A 26 -7.118 21.560 10.533 1.00 1.00 H new ATOM 438 N SER A 27 -8.032 16.831 11.761 1.00 1.00 N ATOM 439 CA SER A 27 -7.493 15.859 12.698 1.00 1.00 C ATOM 440 C SER A 27 -8.153 14.501 12.453 1.00 1.00 C ATOM 441 O SER A 27 -7.542 13.478 12.798 1.00 1.00 O ATOM 442 CB SER A 27 -7.706 16.300 14.147 1.00 1.00 C ATOM 443 OG SER A 27 -9.059 16.670 14.399 1.00 1.00 O ATOM 0 H SER A 27 -8.697 17.485 12.173 1.00 1.00 H new ATOM 0 HA SER A 27 -6.418 15.780 12.535 1.00 1.00 H new ATOM 0 HB2 SER A 27 -7.421 15.490 14.818 1.00 1.00 H new ATOM 0 HB3 SER A 27 -7.052 17.143 14.369 1.00 1.00 H new ATOM 0 HG SER A 27 -9.154 16.944 15.335 1.00 1.00 H new ATOM 449 N GLY A 28 -9.366 14.516 11.874 1.00 1.00 N ATOM 450 CA GLY A 28 -10.099 13.295 11.588 1.00 1.00 C ATOM 451 C GLY A 28 -9.575 12.683 10.287 1.00 1.00 C ATOM 452 O GLY A 28 -9.132 11.526 10.316 1.00 1.00 O ATOM 0 H GLY A 28 -9.851 15.370 11.598 1.00 1.00 H new ATOM 0 HA2 GLY A 28 -9.983 12.587 12.409 1.00 1.00 H new ATOM 0 HA3 GLY A 28 -11.164 13.509 11.499 1.00 1.00 H new ATOM 456 N ILE A 29 -9.634 13.459 9.190 1.00 1.00 N ATOM 457 CA ILE A 29 -9.168 12.997 7.894 1.00 1.00 C ATOM 458 C ILE A 29 -7.833 12.268 8.066 1.00 1.00 C ATOM 459 O ILE A 29 -7.673 11.186 7.484 1.00 1.00 O ATOM 460 CB ILE A 29 -9.110 14.158 6.899 1.00 1.00 C ATOM 461 CG1 ILE A 29 -8.554 15.420 7.562 1.00 1.00 C ATOM 462 CG2 ILE A 29 -10.479 14.401 6.261 1.00 1.00 C ATOM 463 CD1 ILE A 29 -7.335 15.947 6.802 1.00 1.00 C ATOM 0 H ILE A 29 -10.003 14.410 9.188 1.00 1.00 H new ATOM 0 HA ILE A 29 -9.872 12.280 7.471 1.00 1.00 H new ATOM 0 HB ILE A 29 -8.424 13.887 6.096 1.00 1.00 H new ATOM 0 HG12 ILE A 29 -9.327 16.188 7.595 1.00 1.00 H new ATOM 0 HG13 ILE A 29 -8.277 15.202 8.593 1.00 1.00 H new ATOM 0 HG21 ILE A 29 -10.411 15.231 5.558 1.00 1.00 H new ATOM 0 HG22 ILE A 29 -10.799 13.503 5.732 1.00 1.00 H new ATOM 0 HG23 ILE A 29 -11.205 14.642 7.038 1.00 1.00 H new ATOM 0 HD11 ILE A 29 -6.959 16.844 7.294 1.00 1.00 H new ATOM 0 HD12 ILE A 29 -6.555 15.185 6.792 1.00 1.00 H new ATOM 0 HD13 ILE A 29 -7.621 16.187 5.778 1.00 1.00 H new ATOM 475 N CYS A 30 -6.918 12.865 8.850 1.00 1.00 N ATOM 476 CA CYS A 30 -5.612 12.277 9.094 1.00 1.00 C ATOM 477 C CYS A 30 -5.787 10.821 9.529 1.00 1.00 C ATOM 478 O CYS A 30 -4.962 9.984 9.134 1.00 1.00 O ATOM 479 CB CYS A 30 -4.825 13.090 10.124 1.00 1.00 C ATOM 480 SG CYS A 30 -3.166 12.447 10.495 1.00 1.00 S ATOM 0 H CYS A 30 -7.071 13.757 9.321 1.00 1.00 H new ATOM 0 HA CYS A 30 -5.030 12.295 8.173 1.00 1.00 H new ATOM 0 HB2 CYS A 30 -4.730 14.114 9.762 1.00 1.00 H new ATOM 0 HB3 CYS A 30 -5.399 13.131 11.050 1.00 1.00 H new ATOM 0 HG CYS A 30 -2.591 13.212 11.375 1.00 1.00 H new ATOM 486 N GLU A 31 -6.841 10.551 10.320 1.00 1.00 N ATOM 487 CA GLU A 31 -7.118 9.208 10.802 1.00 1.00 C ATOM 488 C GLU A 31 -7.858 8.424 9.716 1.00 1.00 C ATOM 489 O GLU A 31 -7.674 7.200 9.644 1.00 1.00 O ATOM 490 CB GLU A 31 -7.921 9.233 12.104 1.00 1.00 C ATOM 491 CG GLU A 31 -8.190 7.814 12.610 1.00 1.00 C ATOM 492 CD GLU A 31 -6.920 7.191 13.194 1.00 1.00 C ATOM 493 OE1 GLU A 31 -6.703 7.460 14.437 1.00 1.00 O ATOM 494 OE2 GLU A 31 -6.189 6.489 12.481 1.00 1.00 O ATOM 0 H GLU A 31 -7.510 11.255 10.633 1.00 1.00 H new ATOM 0 HA GLU A 31 -6.172 8.713 11.022 1.00 1.00 H new ATOM 0 HB2 GLU A 31 -7.375 9.796 12.861 1.00 1.00 H new ATOM 0 HB3 GLU A 31 -8.867 9.751 11.942 1.00 1.00 H new ATOM 0 HG2 GLU A 31 -8.971 7.837 13.370 1.00 1.00 H new ATOM 0 HG3 GLU A 31 -8.560 7.196 11.792 1.00 1.00 H new ATOM 501 N PHE A 32 -8.666 9.132 8.907 1.00 1.00 N ATOM 502 CA PHE A 32 -9.424 8.506 7.837 1.00 1.00 C ATOM 503 C PHE A 32 -8.507 8.279 6.634 1.00 1.00 C ATOM 504 O PHE A 32 -8.405 7.130 6.179 1.00 1.00 O ATOM 505 CB PHE A 32 -10.610 9.414 7.457 1.00 1.00 C ATOM 506 CG PHE A 32 -10.922 9.461 5.967 1.00 1.00 C ATOM 507 CD1 PHE A 32 -11.340 8.290 5.294 1.00 1.00 C ATOM 508 CD2 PHE A 32 -10.802 10.675 5.250 1.00 1.00 C ATOM 509 CE1 PHE A 32 -11.634 8.332 3.914 1.00 1.00 C ATOM 510 CE2 PHE A 32 -11.096 10.715 3.870 1.00 1.00 C ATOM 511 CZ PHE A 32 -11.511 9.544 3.202 1.00 1.00 C ATOM 0 H PHE A 32 -8.803 10.140 8.984 1.00 1.00 H new ATOM 0 HA PHE A 32 -9.813 7.542 8.165 1.00 1.00 H new ATOM 0 HB2 PHE A 32 -11.497 9.072 7.990 1.00 1.00 H new ATOM 0 HB3 PHE A 32 -10.401 10.426 7.803 1.00 1.00 H new ATOM 0 HD1 PHE A 32 -11.435 7.361 5.837 1.00 1.00 H new ATOM 0 HD2 PHE A 32 -10.485 11.573 5.760 1.00 1.00 H new ATOM 0 HE1 PHE A 32 -11.953 7.436 3.403 1.00 1.00 H new ATOM 0 HE2 PHE A 32 -11.003 11.643 3.325 1.00 1.00 H new ATOM 0 HZ PHE A 32 -11.735 9.575 2.146 1.00 1.00 H new ATOM 521 N ILE A 33 -7.869 9.359 6.150 1.00 1.00 N ATOM 522 CA ILE A 33 -6.970 9.277 5.012 1.00 1.00 C ATOM 523 C ILE A 33 -5.872 8.253 5.307 1.00 1.00 C ATOM 524 O ILE A 33 -5.491 7.515 4.387 1.00 1.00 O ATOM 525 CB ILE A 33 -6.436 10.664 4.650 1.00 1.00 C ATOM 526 CG1 ILE A 33 -7.535 11.531 4.031 1.00 1.00 C ATOM 527 CG2 ILE A 33 -5.209 10.560 3.741 1.00 1.00 C ATOM 528 CD1 ILE A 33 -8.424 10.705 3.099 1.00 1.00 C ATOM 0 H ILE A 33 -7.968 10.297 6.539 1.00 1.00 H new ATOM 0 HA ILE A 33 -7.504 8.926 4.129 1.00 1.00 H new ATOM 0 HB ILE A 33 -6.116 11.156 5.568 1.00 1.00 H new ATOM 0 HG12 ILE A 33 -8.142 11.974 4.821 1.00 1.00 H new ATOM 0 HG13 ILE A 33 -7.085 12.354 3.476 1.00 1.00 H new ATOM 0 HG21 ILE A 33 -4.850 11.560 3.499 1.00 1.00 H new ATOM 0 HG22 ILE A 33 -4.422 10.006 4.253 1.00 1.00 H new ATOM 0 HG23 ILE A 33 -5.480 10.040 2.822 1.00 1.00 H new ATOM 0 HD11 ILE A 33 -9.197 11.344 2.672 1.00 1.00 H new ATOM 0 HD12 ILE A 33 -7.818 10.284 2.297 1.00 1.00 H new ATOM 0 HD13 ILE A 33 -8.892 9.898 3.663 1.00 1.00 H new ATOM 540 N SER A 34 -5.393 8.229 6.564 1.00 1.00 N ATOM 541 CA SER A 34 -4.350 7.305 6.972 1.00 1.00 C ATOM 542 C SER A 34 -4.967 5.930 7.238 1.00 1.00 C ATOM 543 O SER A 34 -4.242 4.929 7.143 1.00 1.00 O ATOM 544 CB SER A 34 -3.614 7.805 8.217 1.00 1.00 C ATOM 545 OG SER A 34 -2.558 6.929 8.601 1.00 1.00 O ATOM 0 H SER A 34 -5.721 8.846 7.308 1.00 1.00 H new ATOM 0 HA SER A 34 -3.619 7.231 6.166 1.00 1.00 H new ATOM 0 HB2 SER A 34 -3.209 8.798 8.024 1.00 1.00 H new ATOM 0 HB3 SER A 34 -4.321 7.904 9.041 1.00 1.00 H new ATOM 0 HG SER A 34 -2.112 7.284 9.398 1.00 1.00 H new ATOM 551 N ASN A 35 -6.273 5.909 7.558 1.00 1.00 N ATOM 552 CA ASN A 35 -6.978 4.668 7.834 1.00 1.00 C ATOM 553 C ASN A 35 -6.934 3.775 6.592 1.00 1.00 C ATOM 554 O ASN A 35 -6.591 2.592 6.729 1.00 1.00 O ATOM 555 CB ASN A 35 -8.447 4.933 8.173 1.00 1.00 C ATOM 556 CG ASN A 35 -8.762 4.511 9.610 1.00 1.00 C ATOM 557 OD1 ASN A 35 -8.259 3.523 10.118 1.00 1.00 O ATOM 558 ND2 ASN A 35 -9.620 5.313 10.233 1.00 1.00 N ATOM 0 H ASN A 35 -6.853 6.745 7.629 1.00 1.00 H new ATOM 0 HA ASN A 35 -6.493 4.186 8.683 1.00 1.00 H new ATOM 0 HB2 ASN A 35 -8.668 5.992 8.044 1.00 1.00 H new ATOM 0 HB3 ASN A 35 -9.088 4.387 7.481 1.00 1.00 H new ATOM 0 HD21 ASN A 35 -9.894 5.117 11.196 1.00 1.00 H new ATOM 0 HD22 ASN A 35 -10.004 6.124 9.748 1.00 1.00 H new ATOM 565 N ARG A 36 -7.276 4.349 5.425 1.00 1.00 N ATOM 566 CA ARG A 36 -7.274 3.610 4.174 1.00 1.00 C ATOM 567 C ARG A 36 -5.894 3.719 3.524 1.00 1.00 C ATOM 568 O ARG A 36 -5.531 2.816 2.754 1.00 1.00 O ATOM 569 CB ARG A 36 -8.331 4.143 3.204 1.00 1.00 C ATOM 570 CG ARG A 36 -8.519 5.652 3.372 1.00 1.00 C ATOM 571 CD ARG A 36 -9.257 6.249 2.172 1.00 1.00 C ATOM 572 NE ARG A 36 -10.513 5.505 1.929 1.00 1.00 N ATOM 573 CZ ARG A 36 -10.634 4.495 1.042 1.00 1.00 C ATOM 574 NH1 ARG A 36 -9.563 4.127 0.326 1.00 1.00 N ATOM 575 NH2 ARG A 36 -11.808 3.869 0.879 1.00 1.00 N ATOM 0 H ARG A 36 -7.556 5.326 5.334 1.00 1.00 H new ATOM 0 HA ARG A 36 -7.510 2.569 4.396 1.00 1.00 H new ATOM 0 HB2 ARG A 36 -8.033 3.922 2.179 1.00 1.00 H new ATOM 0 HB3 ARG A 36 -9.279 3.633 3.378 1.00 1.00 H new ATOM 0 HG2 ARG A 36 -9.080 5.853 4.285 1.00 1.00 H new ATOM 0 HG3 ARG A 36 -7.547 6.133 3.482 1.00 1.00 H new ATOM 0 HD2 ARG A 36 -9.477 7.300 2.356 1.00 1.00 H new ATOM 0 HD3 ARG A 36 -8.623 6.207 1.287 1.00 1.00 H new ATOM 0 HE ARG A 36 -11.339 5.772 2.465 1.00 1.00 H new ATOM 0 HH11 ARG A 36 -8.673 4.608 0.456 1.00 1.00 H new ATOM 0 HH12 ARG A 36 -9.638 3.366 -0.349 1.00 1.00 H new ATOM 0 HH21 ARG A 36 -12.619 4.155 1.428 1.00 1.00 H new ATOM 0 HH22 ARG A 36 -11.890 3.107 0.206 1.00 1.00 H new ATOM 589 N PHE A 37 -5.163 4.803 3.840 1.00 1.00 N ATOM 590 CA PHE A 37 -3.836 5.023 3.290 1.00 1.00 C ATOM 591 C PHE A 37 -2.859 5.321 4.430 1.00 1.00 C ATOM 592 O PHE A 37 -2.397 6.468 4.525 1.00 1.00 O ATOM 593 CB PHE A 37 -3.888 6.198 2.294 1.00 1.00 C ATOM 594 CG PHE A 37 -5.001 6.103 1.258 1.00 1.00 C ATOM 595 CD1 PHE A 37 -5.356 4.847 0.713 1.00 1.00 C ATOM 596 CD2 PHE A 37 -5.689 7.266 0.840 1.00 1.00 C ATOM 597 CE1 PHE A 37 -6.389 4.756 -0.244 1.00 1.00 C ATOM 598 CE2 PHE A 37 -6.722 7.173 -0.117 1.00 1.00 C ATOM 599 CZ PHE A 37 -7.072 5.918 -0.660 1.00 1.00 C ATOM 0 H PHE A 37 -5.480 5.535 4.476 1.00 1.00 H new ATOM 0 HA PHE A 37 -3.495 4.132 2.763 1.00 1.00 H new ATOM 0 HB2 PHE A 37 -4.008 7.126 2.853 1.00 1.00 H new ATOM 0 HB3 PHE A 37 -2.931 6.260 1.775 1.00 1.00 H new ATOM 0 HD1 PHE A 37 -4.835 3.956 1.030 1.00 1.00 H new ATOM 0 HD2 PHE A 37 -5.423 8.227 1.254 1.00 1.00 H new ATOM 0 HE1 PHE A 37 -6.657 3.795 -0.658 1.00 1.00 H new ATOM 0 HE2 PHE A 37 -7.245 8.063 -0.434 1.00 1.00 H new ATOM 0 HZ PHE A 37 -7.862 5.847 -1.393 1.00 1.00 H new ATOM 609 N PRO A 38 -2.570 4.301 5.257 1.00 1.00 N ATOM 610 CA PRO A 38 -1.664 4.417 6.386 1.00 1.00 C ATOM 611 C PRO A 38 -0.208 4.457 5.919 1.00 1.00 C ATOM 612 O PRO A 38 0.490 5.428 6.247 1.00 1.00 O ATOM 613 CB PRO A 38 -1.972 3.214 7.263 1.00 1.00 C ATOM 614 CG PRO A 38 -2.707 2.226 6.372 1.00 1.00 C ATOM 615 CD PRO A 38 -3.135 2.962 5.113 1.00 1.00 C ATOM 0 HA PRO A 38 -1.802 5.345 6.941 1.00 1.00 H new ATOM 0 HB2 PRO A 38 -1.056 2.776 7.660 1.00 1.00 H new ATOM 0 HB3 PRO A 38 -2.585 3.500 8.118 1.00 1.00 H new ATOM 0 HG2 PRO A 38 -2.061 1.385 6.121 1.00 1.00 H new ATOM 0 HG3 PRO A 38 -3.575 1.818 6.889 1.00 1.00 H new ATOM 0 HD2 PRO A 38 -2.758 2.467 4.218 1.00 1.00 H new ATOM 0 HD3 PRO A 38 -4.221 2.998 5.025 1.00 1.00 H new ATOM 623 N TYR A 39 0.215 3.420 5.174 1.00 1.00 N ATOM 624 CA TYR A 39 1.589 3.396 4.702 1.00 1.00 C ATOM 625 C TYR A 39 1.891 4.700 3.961 1.00 1.00 C ATOM 626 O TYR A 39 3.074 5.061 3.877 1.00 1.00 O ATOM 627 CB TYR A 39 1.821 2.163 3.810 1.00 1.00 C ATOM 628 CG TYR A 39 3.134 2.179 3.039 1.00 1.00 C ATOM 629 CD1 TYR A 39 3.238 2.914 1.835 1.00 1.00 C ATOM 630 CD2 TYR A 39 4.256 1.468 3.523 1.00 1.00 C ATOM 631 CE1 TYR A 39 4.454 2.934 1.119 1.00 1.00 C ATOM 632 CE2 TYR A 39 5.472 1.489 2.806 1.00 1.00 C ATOM 633 CZ TYR A 39 5.572 2.222 1.603 1.00 1.00 C ATOM 634 OH TYR A 39 6.746 2.244 0.906 1.00 1.00 O ATOM 0 H TYR A 39 -0.358 2.622 4.900 1.00 1.00 H new ATOM 0 HA TYR A 39 2.273 3.318 5.547 1.00 1.00 H new ATOM 0 HB2 TYR A 39 1.791 1.269 4.433 1.00 1.00 H new ATOM 0 HB3 TYR A 39 0.998 2.084 3.100 1.00 1.00 H new ATOM 0 HD1 TYR A 39 2.385 3.461 1.463 1.00 1.00 H new ATOM 0 HD2 TYR A 39 4.183 0.908 4.443 1.00 1.00 H new ATOM 0 HE1 TYR A 39 4.529 3.495 0.199 1.00 1.00 H new ATOM 0 HE2 TYR A 39 6.327 0.944 3.178 1.00 1.00 H new ATOM 0 HH TYR A 39 7.415 1.704 1.376 1.00 1.00 H new ATOM 644 N TYR A 40 0.843 5.365 3.441 1.00 1.00 N ATOM 645 CA TYR A 40 1.075 6.601 2.715 1.00 1.00 C ATOM 646 C TYR A 40 1.626 7.656 3.676 1.00 1.00 C ATOM 647 O TYR A 40 2.497 8.432 3.253 1.00 1.00 O ATOM 648 CB TYR A 40 -0.226 7.068 2.036 1.00 1.00 C ATOM 649 CG TYR A 40 -0.092 7.362 0.549 1.00 1.00 C ATOM 650 CD1 TYR A 40 1.081 7.976 0.052 1.00 1.00 C ATOM 651 CD2 TYR A 40 -1.133 7.019 -0.345 1.00 1.00 C ATOM 652 CE1 TYR A 40 1.211 8.248 -1.326 1.00 1.00 C ATOM 653 CE2 TYR A 40 -1.002 7.291 -1.724 1.00 1.00 C ATOM 654 CZ TYR A 40 0.170 7.906 -2.216 1.00 1.00 C ATOM 655 OH TYR A 40 0.300 8.172 -3.549 1.00 1.00 O ATOM 0 H TYR A 40 -0.132 5.073 3.511 1.00 1.00 H new ATOM 0 HA TYR A 40 1.812 6.439 1.929 1.00 1.00 H new ATOM 0 HB2 TYR A 40 -0.988 6.301 2.175 1.00 1.00 H new ATOM 0 HB3 TYR A 40 -0.582 7.966 2.540 1.00 1.00 H new ATOM 0 HD1 TYR A 40 1.880 8.238 0.730 1.00 1.00 H new ATOM 0 HD2 TYR A 40 -2.030 6.548 0.028 1.00 1.00 H new ATOM 0 HE1 TYR A 40 2.108 8.718 -1.701 1.00 1.00 H new ATOM 0 HE2 TYR A 40 -1.799 7.028 -2.404 1.00 1.00 H new ATOM 0 HH TYR A 40 -0.505 7.873 -4.022 1.00 1.00 H new ATOM 665 N ARG A 41 1.117 7.674 4.921 1.00 1.00 N ATOM 666 CA ARG A 41 1.555 8.636 5.918 1.00 1.00 C ATOM 667 C ARG A 41 3.045 8.432 6.198 1.00 1.00 C ATOM 668 O ARG A 41 3.803 9.408 6.096 1.00 1.00 O ATOM 669 CB ARG A 41 0.773 8.487 7.225 1.00 1.00 C ATOM 670 CG ARG A 41 1.239 9.512 8.262 1.00 1.00 C ATOM 671 CD ARG A 41 1.316 8.885 9.656 1.00 1.00 C ATOM 672 NE ARG A 41 0.733 9.804 10.658 1.00 1.00 N ATOM 673 CZ ARG A 41 1.377 10.876 11.167 1.00 1.00 C ATOM 674 NH1 ARG A 41 2.623 11.142 10.753 1.00 1.00 N ATOM 675 NH2 ARG A 41 0.779 11.662 12.073 1.00 1.00 N ATOM 0 H ARG A 41 0.401 7.027 5.250 1.00 1.00 H new ATOM 0 HA ARG A 41 1.374 9.636 5.525 1.00 1.00 H new ATOM 0 HB2 ARG A 41 -0.292 8.617 7.033 1.00 1.00 H new ATOM 0 HB3 ARG A 41 0.905 7.479 7.619 1.00 1.00 H new ATOM 0 HG2 ARG A 41 2.217 9.901 7.980 1.00 1.00 H new ATOM 0 HG3 ARG A 41 0.552 10.358 8.277 1.00 1.00 H new ATOM 0 HD2 ARG A 41 0.781 7.936 9.667 1.00 1.00 H new ATOM 0 HD3 ARG A 41 2.354 8.669 9.909 1.00 1.00 H new ATOM 0 HE ARG A 41 -0.215 9.616 10.985 1.00 1.00 H new ATOM 0 HH11 ARG A 41 3.071 10.539 10.063 1.00 1.00 H new ATOM 0 HH12 ARG A 41 3.124 11.948 11.127 1.00 1.00 H new ATOM 0 HH21 ARG A 41 -0.170 11.452 12.383 1.00 1.00 H new ATOM 0 HH22 ARG A 41 1.273 12.470 12.452 1.00 1.00 H new ATOM 689 N GLU A 42 3.430 7.189 6.538 1.00 1.00 N ATOM 690 CA GLU A 42 4.816 6.864 6.829 1.00 1.00 C ATOM 691 C GLU A 42 5.683 7.223 5.621 1.00 1.00 C ATOM 692 O GLU A 42 6.802 7.715 5.824 1.00 1.00 O ATOM 693 CB GLU A 42 4.981 5.389 7.203 1.00 1.00 C ATOM 694 CG GLU A 42 6.003 5.221 8.329 1.00 1.00 C ATOM 695 CD GLU A 42 7.390 5.690 7.886 1.00 1.00 C ATOM 696 OE1 GLU A 42 7.952 4.956 6.987 1.00 1.00 O ATOM 697 OE2 GLU A 42 7.889 6.708 8.387 1.00 1.00 O ATOM 0 H GLU A 42 2.790 6.399 6.615 1.00 1.00 H new ATOM 0 HA GLU A 42 5.139 7.448 7.691 1.00 1.00 H new ATOM 0 HB2 GLU A 42 4.020 4.979 7.515 1.00 1.00 H new ATOM 0 HB3 GLU A 42 5.301 4.822 6.329 1.00 1.00 H new ATOM 0 HG2 GLU A 42 5.684 5.791 9.202 1.00 1.00 H new ATOM 0 HG3 GLU A 42 6.048 4.175 8.630 1.00 1.00 H new ATOM 704 N LYS A 43 5.159 6.974 4.407 1.00 1.00 N ATOM 705 CA LYS A 43 5.880 7.269 3.181 1.00 1.00 C ATOM 706 C LYS A 43 5.964 8.786 2.996 1.00 1.00 C ATOM 707 O LYS A 43 7.079 9.297 2.814 1.00 1.00 O ATOM 708 CB LYS A 43 5.244 6.540 1.996 1.00 1.00 C ATOM 709 CG LYS A 43 5.798 7.062 0.669 1.00 1.00 C ATOM 710 CD LYS A 43 7.271 6.684 0.503 1.00 1.00 C ATOM 711 CE LYS A 43 7.416 5.362 -0.252 1.00 1.00 C ATOM 712 NZ LYS A 43 7.846 5.604 -1.639 1.00 1.00 N ATOM 0 H LYS A 43 4.235 6.568 4.261 1.00 1.00 H new ATOM 0 HA LYS A 43 6.903 6.897 3.242 1.00 1.00 H new ATOM 0 HB2 LYS A 43 5.435 5.470 2.078 1.00 1.00 H new ATOM 0 HB3 LYS A 43 4.163 6.674 2.020 1.00 1.00 H new ATOM 0 HG2 LYS A 43 5.218 6.652 -0.158 1.00 1.00 H new ATOM 0 HG3 LYS A 43 5.690 8.146 0.627 1.00 1.00 H new ATOM 0 HD2 LYS A 43 7.794 7.474 -0.036 1.00 1.00 H new ATOM 0 HD3 LYS A 43 7.741 6.601 1.483 1.00 1.00 H new ATOM 0 HE2 LYS A 43 8.142 4.725 0.254 1.00 1.00 H new ATOM 0 HE3 LYS A 43 6.466 4.828 -0.248 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 7.939 4.696 -2.137 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 7.139 6.194 -2.124 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 8.763 6.094 -1.638 1.00 1.00 H new ATOM 726 N PHE A 44 4.804 9.464 3.046 1.00 1.00 N ATOM 727 CA PHE A 44 4.748 10.907 2.886 1.00 1.00 C ATOM 728 C PHE A 44 3.858 11.503 3.978 1.00 1.00 C ATOM 729 O PHE A 44 2.632 11.520 3.795 1.00 1.00 O ATOM 730 CB PHE A 44 4.195 11.241 1.487 1.00 1.00 C ATOM 731 CG PHE A 44 4.561 12.627 0.973 1.00 1.00 C ATOM 732 CD1 PHE A 44 5.890 13.100 1.079 1.00 1.00 C ATOM 733 CD2 PHE A 44 3.571 13.452 0.392 1.00 1.00 C ATOM 734 CE1 PHE A 44 6.225 14.387 0.606 1.00 1.00 C ATOM 735 CE2 PHE A 44 3.906 14.738 -0.081 1.00 1.00 C ATOM 736 CZ PHE A 44 5.233 15.206 0.026 1.00 1.00 C ATOM 0 H PHE A 44 3.896 9.024 3.197 1.00 1.00 H new ATOM 0 HA PHE A 44 5.746 11.335 2.979 1.00 1.00 H new ATOM 0 HB2 PHE A 44 4.561 10.497 0.779 1.00 1.00 H new ATOM 0 HB3 PHE A 44 3.109 11.152 1.510 1.00 1.00 H new ATOM 0 HD1 PHE A 44 6.650 12.475 1.523 1.00 1.00 H new ATOM 0 HD2 PHE A 44 2.555 13.096 0.310 1.00 1.00 H new ATOM 0 HE1 PHE A 44 7.241 14.745 0.688 1.00 1.00 H new ATOM 0 HE2 PHE A 44 3.147 15.365 -0.525 1.00 1.00 H new ATOM 0 HZ PHE A 44 5.489 16.191 -0.336 1.00 1.00 H new ATOM 746 N PRO A 45 4.482 11.972 5.073 1.00 1.00 N ATOM 747 CA PRO A 45 3.784 12.569 6.200 1.00 1.00 C ATOM 748 C PRO A 45 3.303 13.981 5.861 1.00 1.00 C ATOM 749 O PRO A 45 2.677 14.614 6.724 1.00 1.00 O ATOM 750 CB PRO A 45 4.786 12.540 7.343 1.00 1.00 C ATOM 751 CG PRO A 45 6.150 12.359 6.697 1.00 1.00 C ATOM 752 CD PRO A 45 5.930 11.935 5.254 1.00 1.00 C ATOM 0 HA PRO A 45 2.878 12.027 6.469 1.00 1.00 H new ATOM 0 HB2 PRO A 45 4.747 13.464 7.920 1.00 1.00 H new ATOM 0 HB3 PRO A 45 4.569 11.724 8.032 1.00 1.00 H new ATOM 0 HG2 PRO A 45 6.719 13.288 6.739 1.00 1.00 H new ATOM 0 HG3 PRO A 45 6.729 11.606 7.232 1.00 1.00 H new ATOM 0 HD2 PRO A 45 6.433 12.610 4.562 1.00 1.00 H new ATOM 0 HD3 PRO A 45 6.327 10.937 5.070 1.00 1.00 H new ATOM 760 N ALA A 46 3.601 14.441 4.633 1.00 1.00 N ATOM 761 CA ALA A 46 3.202 15.765 4.188 1.00 1.00 C ATOM 762 C ALA A 46 1.773 15.707 3.644 1.00 1.00 C ATOM 763 O ALA A 46 1.415 16.573 2.832 1.00 1.00 O ATOM 764 CB ALA A 46 4.087 16.205 3.021 1.00 1.00 C ATOM 0 H ALA A 46 4.119 13.904 3.937 1.00 1.00 H new ATOM 0 HA ALA A 46 3.286 16.451 5.031 1.00 1.00 H new ATOM 0 HB1 ALA A 46 3.785 17.199 2.690 1.00 1.00 H new ATOM 0 HB2 ALA A 46 5.128 16.231 3.343 1.00 1.00 H new ATOM 0 HB3 ALA A 46 3.980 15.500 2.197 1.00 1.00 H new ATOM 770 N TRP A 47 0.998 14.704 4.094 1.00 1.00 N ATOM 771 CA TRP A 47 -0.377 14.537 3.655 1.00 1.00 C ATOM 772 C TRP A 47 -1.225 15.689 4.200 1.00 1.00 C ATOM 773 O TRP A 47 -1.830 16.409 3.392 1.00 1.00 O ATOM 774 CB TRP A 47 -0.902 13.161 4.068 1.00 1.00 C ATOM 775 CG TRP A 47 -0.634 12.058 3.042 1.00 1.00 C ATOM 776 CD1 TRP A 47 0.150 10.979 3.176 1.00 1.00 C ATOM 777 CD2 TRP A 47 -1.185 11.970 1.711 1.00 1.00 C ATOM 778 NE1 TRP A 47 0.145 10.206 2.033 1.00 1.00 N ATOM 779 CE2 TRP A 47 -0.693 10.828 1.114 1.00 1.00 C ATOM 780 CE3 TRP A 47 -2.070 12.828 1.034 1.00 1.00 C ATOM 781 CZ2 TRP A 47 -1.028 10.438 -0.188 1.00 1.00 C ATOM 782 CZ3 TRP A 47 -2.395 12.425 -0.267 1.00 1.00 C ATOM 783 CH2 TRP A 47 -1.908 11.277 -0.882 1.00 1.00 C ATOM 0 H TRP A 47 1.312 14.001 4.763 1.00 1.00 H new ATOM 0 HA TRP A 47 -0.435 14.575 2.567 1.00 1.00 H new ATOM 0 HB2 TRP A 47 -0.445 12.879 5.017 1.00 1.00 H new ATOM 0 HB3 TRP A 47 -1.976 13.230 4.240 1.00 1.00 H new ATOM 0 HD1 TRP A 47 0.714 10.744 4.066 1.00 1.00 H new ATOM 0 HE1 TRP A 47 0.661 9.338 1.889 1.00 1.00 H new ATOM 0 HE3 TRP A 47 -2.468 13.727 1.482 1.00 1.00 H new ATOM 0 HZ2 TRP A 47 -0.629 9.538 -0.633 1.00 1.00 H new ATOM 0 HZ3 TRP A 47 -3.071 13.049 -0.832 1.00 1.00 H new ATOM 0 HH2 TRP A 47 -2.207 11.034 -1.891 1.00 1.00 H new ATOM 794 N GLN A 48 -1.251 15.837 5.536 1.00 1.00 N ATOM 795 CA GLN A 48 -2.018 16.891 6.179 1.00 1.00 C ATOM 796 C GLN A 48 -1.690 18.231 5.516 1.00 1.00 C ATOM 797 O GLN A 48 -2.601 19.061 5.383 1.00 1.00 O ATOM 798 CB GLN A 48 -1.749 16.944 7.684 1.00 1.00 C ATOM 799 CG GLN A 48 -2.943 17.538 8.434 1.00 1.00 C ATOM 800 CD GLN A 48 -2.702 17.527 9.945 1.00 1.00 C ATOM 801 OE1 GLN A 48 -3.321 16.539 10.585 1.00 1.00 O flip ATOM 802 NE2 GLN A 48 -2.000 18.360 10.494 1.00 1.00 N flip ATOM 0 H GLN A 48 -0.745 15.233 6.183 1.00 1.00 H new ATOM 0 HA GLN A 48 -3.079 16.677 6.054 1.00 1.00 H new ATOM 0 HB2 GLN A 48 -1.544 15.940 8.056 1.00 1.00 H new ATOM 0 HB3 GLN A 48 -0.859 17.543 7.877 1.00 1.00 H new ATOM 0 HG2 GLN A 48 -3.117 18.560 8.097 1.00 1.00 H new ATOM 0 HG3 GLN A 48 -3.843 16.969 8.202 1.00 1.00 H new ATOM 0 HE21 GLN A 48 -1.553 19.093 9.943 1.00 1.00 H new ATOM 0 HE22 GLN A 48 -1.860 18.323 11.504 1.00 1.00 H new ATOM 811 N ASN A 49 -0.417 18.412 5.121 1.00 1.00 N ATOM 812 CA ASN A 49 0.023 19.639 4.479 1.00 1.00 C ATOM 813 C ASN A 49 -0.531 19.691 3.054 1.00 1.00 C ATOM 814 O ASN A 49 -1.082 20.734 2.673 1.00 1.00 O ATOM 815 CB ASN A 49 1.550 19.700 4.396 1.00 1.00 C ATOM 816 CG ASN A 49 2.004 20.868 3.518 1.00 1.00 C ATOM 817 OD1 ASN A 49 2.192 21.984 3.974 1.00 1.00 O ATOM 818 ND2 ASN A 49 2.171 20.549 2.238 1.00 1.00 N ATOM 0 H ASN A 49 0.318 17.715 5.241 1.00 1.00 H new ATOM 0 HA ASN A 49 -0.340 20.479 5.072 1.00 1.00 H new ATOM 0 HB2 ASN A 49 1.968 19.808 5.397 1.00 1.00 H new ATOM 0 HB3 ASN A 49 1.934 18.764 3.990 1.00 1.00 H new ATOM 0 HD21 ASN A 49 2.474 21.259 1.571 1.00 1.00 H new ATOM 0 HD22 ASN A 49 1.996 19.595 1.923 1.00 1.00 H new ATOM 825 N SER A 50 -0.377 18.583 2.307 1.00 1.00 N ATOM 826 CA SER A 50 -0.859 18.503 0.939 1.00 1.00 C ATOM 827 C SER A 50 -2.387 18.581 0.935 1.00 1.00 C ATOM 828 O SER A 50 -2.928 19.520 0.333 1.00 1.00 O ATOM 829 CB SER A 50 -0.391 17.217 0.254 1.00 1.00 C ATOM 830 OG SER A 50 -0.431 16.098 1.136 1.00 1.00 O ATOM 0 H SER A 50 0.081 17.734 2.640 1.00 1.00 H new ATOM 0 HA SER A 50 -0.447 19.341 0.378 1.00 1.00 H new ATOM 0 HB2 SER A 50 -1.021 17.018 -0.613 1.00 1.00 H new ATOM 0 HB3 SER A 50 0.626 17.352 -0.115 1.00 1.00 H new ATOM 0 HG SER A 50 -0.600 15.281 0.621 1.00 1.00 H new ATOM 836 N ILE A 51 -3.041 17.610 1.597 1.00 1.00 N ATOM 837 CA ILE A 51 -4.492 17.569 1.669 1.00 1.00 C ATOM 838 C ILE A 51 -5.017 18.951 2.065 1.00 1.00 C ATOM 839 O ILE A 51 -5.863 19.491 1.337 1.00 1.00 O ATOM 840 CB ILE A 51 -4.951 16.446 2.601 1.00 1.00 C ATOM 841 CG1 ILE A 51 -4.711 16.817 4.066 1.00 1.00 C ATOM 842 CG2 ILE A 51 -4.287 15.119 2.229 1.00 1.00 C ATOM 843 CD1 ILE A 51 -5.016 15.635 4.987 1.00 1.00 C ATOM 0 H ILE A 51 -2.576 16.846 2.087 1.00 1.00 H new ATOM 0 HA ILE A 51 -4.916 17.334 0.693 1.00 1.00 H new ATOM 0 HB ILE A 51 -6.026 16.314 2.474 1.00 1.00 H new ATOM 0 HG12 ILE A 51 -3.676 17.130 4.201 1.00 1.00 H new ATOM 0 HG13 ILE A 51 -5.339 17.666 4.338 1.00 1.00 H new ATOM 0 HG21 ILE A 51 -4.630 14.338 2.907 1.00 1.00 H new ATOM 0 HG22 ILE A 51 -4.552 14.854 1.206 1.00 1.00 H new ATOM 0 HG23 ILE A 51 -3.205 15.219 2.309 1.00 1.00 H new ATOM 0 HD11 ILE A 51 -4.837 15.925 6.022 1.00 1.00 H new ATOM 0 HD12 ILE A 51 -6.059 15.340 4.867 1.00 1.00 H new ATOM 0 HD13 ILE A 51 -4.370 14.796 4.729 1.00 1.00 H new ATOM 855 N ARG A 52 -4.514 19.486 3.191 1.00 1.00 N ATOM 856 CA ARG A 52 -4.929 20.791 3.676 1.00 1.00 C ATOM 857 C ARG A 52 -4.967 21.777 2.507 1.00 1.00 C ATOM 858 O ARG A 52 -5.891 22.602 2.460 1.00 1.00 O ATOM 859 CB ARG A 52 -3.979 21.322 4.751 1.00 1.00 C ATOM 860 CG ARG A 52 -4.324 22.765 5.124 1.00 1.00 C ATOM 861 CD ARG A 52 -3.175 23.712 4.773 1.00 1.00 C ATOM 862 NE ARG A 52 -2.747 24.457 5.978 1.00 1.00 N ATOM 863 CZ ARG A 52 -1.583 25.136 6.075 1.00 1.00 C ATOM 864 NH1 ARG A 52 -0.750 25.149 5.026 1.00 1.00 N ATOM 865 NH2 ARG A 52 -1.268 25.787 7.203 1.00 1.00 N ATOM 0 H ARG A 52 -3.818 19.024 3.776 1.00 1.00 H new ATOM 0 HA ARG A 52 -5.919 20.686 4.120 1.00 1.00 H new ATOM 0 HB2 ARG A 52 -4.037 20.690 5.637 1.00 1.00 H new ATOM 0 HB3 ARG A 52 -2.952 21.272 4.390 1.00 1.00 H new ATOM 0 HG2 ARG A 52 -5.228 23.074 4.599 1.00 1.00 H new ATOM 0 HG3 ARG A 52 -4.538 22.827 6.191 1.00 1.00 H new ATOM 0 HD2 ARG A 52 -2.336 23.145 4.369 1.00 1.00 H new ATOM 0 HD3 ARG A 52 -3.492 24.409 3.998 1.00 1.00 H new ATOM 0 HE ARG A 52 -3.370 24.458 6.786 1.00 1.00 H new ATOM 0 HH11 ARG A 52 -0.999 24.651 4.171 1.00 1.00 H new ATOM 0 HH12 ARG A 52 0.133 25.657 5.082 1.00 1.00 H new ATOM 0 HH21 ARG A 52 -1.909 25.772 7.996 1.00 1.00 H new ATOM 0 HH22 ARG A 52 -0.387 26.297 7.268 1.00 1.00 H new ATOM 879 N HIS A 53 -3.979 21.674 1.600 1.00 1.00 N ATOM 880 CA HIS A 53 -3.900 22.550 0.444 1.00 1.00 C ATOM 881 C HIS A 53 -5.002 22.176 -0.549 1.00 1.00 C ATOM 882 O HIS A 53 -5.787 23.062 -0.920 1.00 1.00 O ATOM 883 CB HIS A 53 -2.503 22.512 -0.178 1.00 1.00 C ATOM 884 CG HIS A 53 -2.460 22.960 -1.620 1.00 1.00 C ATOM 885 ND1 HIS A 53 -1.923 24.174 -2.012 1.00 1.00 N ATOM 886 CD2 HIS A 53 -2.892 22.345 -2.757 1.00 1.00 C ATOM 887 CE1 HIS A 53 -2.033 24.274 -3.328 1.00 1.00 C ATOM 888 NE2 HIS A 53 -2.634 23.139 -3.789 1.00 1.00 N ATOM 0 H HIS A 53 -3.227 20.987 1.656 1.00 1.00 H new ATOM 0 HA HIS A 53 -4.064 23.583 0.752 1.00 1.00 H new ATOM 0 HB2 HIS A 53 -1.838 23.146 0.409 1.00 1.00 H new ATOM 0 HB3 HIS A 53 -2.115 21.496 -0.112 1.00 1.00 H new ATOM 0 HD1 HIS A 53 -1.512 24.873 -1.393 1.00 1.00 H new ATOM 0 HD2 HIS A 53 -3.365 21.375 -2.809 1.00 1.00 H new ATOM 0 HE1 HIS A 53 -1.705 25.108 -3.931 1.00 1.00 H new ATOM 896 N ASN A 54 -5.038 20.894 -0.954 1.00 1.00 N ATOM 897 CA ASN A 54 -6.035 20.412 -1.895 1.00 1.00 C ATOM 898 C ASN A 54 -7.418 20.477 -1.245 1.00 1.00 C ATOM 899 O ASN A 54 -8.406 20.644 -1.975 1.00 1.00 O ATOM 900 CB ASN A 54 -5.764 18.957 -2.286 1.00 1.00 C ATOM 901 CG ASN A 54 -6.431 18.615 -3.620 1.00 1.00 C ATOM 902 OD1 ASN A 54 -7.391 17.699 -3.526 1.00 1.00 O flip ATOM 903 ND2 ASN A 54 -6.096 19.147 -4.665 1.00 1.00 N flip ATOM 0 H ASN A 54 -4.382 20.181 -0.637 1.00 1.00 H new ATOM 0 HA ASN A 54 -5.990 21.040 -2.785 1.00 1.00 H new ATOM 0 HB2 ASN A 54 -4.689 18.790 -2.359 1.00 1.00 H new ATOM 0 HB3 ASN A 54 -6.137 18.292 -1.507 1.00 1.00 H new ATOM 0 HD21 ASN A 54 -5.351 19.843 -4.667 1.00 1.00 H new ATOM 0 HD22 ASN A 54 -6.561 18.896 -5.537 1.00 1.00 H new ATOM 910 N LEU A 55 -7.461 20.346 0.093 1.00 1.00 N ATOM 911 CA LEU A 55 -8.712 20.390 0.832 1.00 1.00 C ATOM 912 C LEU A 55 -9.453 21.685 0.493 1.00 1.00 C ATOM 913 O LEU A 55 -10.621 21.606 0.086 1.00 1.00 O ATOM 914 CB LEU A 55 -8.457 20.200 2.328 1.00 1.00 C ATOM 915 CG LEU A 55 -8.892 18.857 2.918 1.00 1.00 C ATOM 916 CD1 LEU A 55 -8.425 18.718 4.368 1.00 1.00 C ATOM 917 CD2 LEU A 55 -10.403 18.662 2.781 1.00 1.00 C ATOM 0 H LEU A 55 -6.635 20.209 0.676 1.00 1.00 H new ATOM 0 HA LEU A 55 -9.360 19.565 0.536 1.00 1.00 H new ATOM 0 HB2 LEU A 55 -7.390 20.327 2.513 1.00 1.00 H new ATOM 0 HB3 LEU A 55 -8.971 20.995 2.868 1.00 1.00 H new ATOM 0 HG LEU A 55 -8.412 18.062 2.348 1.00 1.00 H new ATOM 0 HD11 LEU A 55 -8.747 17.755 4.763 1.00 1.00 H new ATOM 0 HD12 LEU A 55 -7.338 18.781 4.408 1.00 1.00 H new ATOM 0 HD13 LEU A 55 -8.857 19.519 4.968 1.00 1.00 H new ATOM 0 HD21 LEU A 55 -10.686 17.700 3.208 1.00 1.00 H new ATOM 0 HD22 LEU A 55 -10.922 19.461 3.310 1.00 1.00 H new ATOM 0 HD23 LEU A 55 -10.679 18.686 1.727 1.00 1.00 H new ATOM 929 N SER A 56 -8.772 22.832 0.665 1.00 1.00 N ATOM 930 CA SER A 56 -9.362 24.129 0.380 1.00 1.00 C ATOM 931 C SER A 56 -9.423 24.334 -1.135 1.00 1.00 C ATOM 932 O SER A 56 -10.294 25.088 -1.593 1.00 1.00 O ATOM 933 CB SER A 56 -8.571 25.261 1.038 1.00 1.00 C ATOM 934 OG SER A 56 -8.650 26.472 0.291 1.00 1.00 O ATOM 0 H SER A 56 -7.810 22.875 1.002 1.00 1.00 H new ATOM 0 HA SER A 56 -10.370 24.150 0.795 1.00 1.00 H new ATOM 0 HB2 SER A 56 -8.951 25.431 2.045 1.00 1.00 H new ATOM 0 HB3 SER A 56 -7.527 24.964 1.137 1.00 1.00 H new ATOM 0 HG SER A 56 -8.133 27.170 0.745 1.00 1.00 H new ATOM 940 N LEU A 57 -8.512 23.671 -1.870 1.00 1.00 N ATOM 941 CA LEU A 57 -8.464 23.781 -3.318 1.00 1.00 C ATOM 942 C LEU A 57 -9.465 22.801 -3.933 1.00 1.00 C ATOM 943 O LEU A 57 -9.352 22.520 -5.135 1.00 1.00 O ATOM 944 CB LEU A 57 -7.031 23.594 -3.821 1.00 1.00 C ATOM 945 CG LEU A 57 -6.325 24.857 -4.318 1.00 1.00 C ATOM 946 CD1 LEU A 57 -5.639 25.591 -3.163 1.00 1.00 C ATOM 947 CD2 LEU A 57 -5.349 24.531 -5.449 1.00 1.00 C ATOM 0 H LEU A 57 -7.803 23.055 -1.473 1.00 1.00 H new ATOM 0 HA LEU A 57 -8.761 24.781 -3.635 1.00 1.00 H new ATOM 0 HB2 LEU A 57 -6.437 23.163 -3.015 1.00 1.00 H new ATOM 0 HB3 LEU A 57 -7.044 22.866 -4.632 1.00 1.00 H new ATOM 0 HG LEU A 57 -7.078 25.531 -4.727 1.00 1.00 H new ATOM 0 HD11 LEU A 57 -5.144 26.485 -3.543 1.00 1.00 H new ATOM 0 HD12 LEU A 57 -6.384 25.876 -2.420 1.00 1.00 H new ATOM 0 HD13 LEU A 57 -4.900 24.935 -2.703 1.00 1.00 H new ATOM 0 HD21 LEU A 57 -4.861 25.446 -5.784 1.00 1.00 H new ATOM 0 HD22 LEU A 57 -4.597 23.829 -5.089 1.00 1.00 H new ATOM 0 HD23 LEU A 57 -5.893 24.085 -6.282 1.00 1.00 H new ATOM 959 N ASN A 58 -10.408 22.308 -3.111 1.00 1.00 N ATOM 960 CA ASN A 58 -11.417 21.369 -3.572 1.00 1.00 C ATOM 961 C ASN A 58 -12.793 22.036 -3.512 1.00 1.00 C ATOM 962 O ASN A 58 -13.248 22.543 -4.547 1.00 1.00 O ATOM 963 CB ASN A 58 -11.456 20.123 -2.684 1.00 1.00 C ATOM 964 CG ASN A 58 -10.860 18.915 -3.409 1.00 1.00 C ATOM 965 OD1 ASN A 58 -9.660 18.699 -3.428 1.00 1.00 O ATOM 966 ND2 ASN A 58 -11.764 18.141 -4.003 1.00 1.00 N ATOM 0 H ASN A 58 -10.483 22.552 -2.123 1.00 1.00 H new ATOM 0 HA ASN A 58 -11.166 21.077 -4.592 1.00 1.00 H new ATOM 0 HB2 ASN A 58 -10.901 20.310 -1.764 1.00 1.00 H new ATOM 0 HB3 ASN A 58 -12.485 19.908 -2.397 1.00 1.00 H new ATOM 0 HD21 ASN A 58 -11.467 17.309 -4.513 1.00 1.00 H new ATOM 0 HD22 ASN A 58 -12.754 18.379 -3.948 1.00 1.00 H new ATOM 973 N ASP A 59 -13.418 22.021 -2.321 1.00 1.00 N ATOM 974 CA ASP A 59 -14.728 22.620 -2.131 1.00 1.00 C ATOM 975 C ASP A 59 -14.569 24.127 -1.919 1.00 1.00 C ATOM 976 O ASP A 59 -15.399 24.886 -2.442 1.00 1.00 O ATOM 977 CB ASP A 59 -15.425 22.040 -0.898 1.00 1.00 C ATOM 978 CG ASP A 59 -15.700 20.537 -0.959 1.00 1.00 C ATOM 979 OD1 ASP A 59 -14.771 19.721 -1.061 1.00 1.00 O ATOM 980 OD2 ASP A 59 -16.946 20.207 -0.895 1.00 1.00 O ATOM 0 H ASP A 59 -13.026 21.596 -1.481 1.00 1.00 H new ATOM 0 HA ASP A 59 -15.327 22.409 -3.017 1.00 1.00 H new ATOM 0 HB2 ASP A 59 -14.811 22.247 -0.021 1.00 1.00 H new ATOM 0 HB3 ASP A 59 -16.371 22.562 -0.755 1.00 1.00 H new ATOM 985 N CYS A 60 -13.526 24.523 -1.170 1.00 1.00 N ATOM 986 CA CYS A 60 -13.264 25.926 -0.894 1.00 1.00 C ATOM 987 C CYS A 60 -13.948 26.319 0.417 1.00 1.00 C ATOM 988 O CYS A 60 -14.690 27.312 0.419 1.00 1.00 O ATOM 989 CB CYS A 60 -13.712 26.810 -2.060 1.00 1.00 C ATOM 990 SG CYS A 60 -13.293 26.170 -3.707 1.00 1.00 S ATOM 0 H CYS A 60 -12.855 23.881 -0.748 1.00 1.00 H new ATOM 0 HA CYS A 60 -12.190 26.078 -0.783 1.00 1.00 H new ATOM 0 HB2 CYS A 60 -14.792 26.944 -2.002 1.00 1.00 H new ATOM 0 HB3 CYS A 60 -13.262 27.796 -1.944 1.00 1.00 H new ATOM 0 HG CYS A 60 -14.221 25.351 -4.103 1.00 1.00 H new ATOM 996 N PHE A 61 -13.688 25.547 1.487 1.00 1.00 N ATOM 997 CA PHE A 61 -14.274 25.814 2.789 1.00 1.00 C ATOM 998 C PHE A 61 -13.329 26.707 3.596 1.00 1.00 C ATOM 999 O PHE A 61 -12.353 27.207 3.017 1.00 1.00 O ATOM 1000 CB PHE A 61 -14.520 24.479 3.519 1.00 1.00 C ATOM 1001 CG PHE A 61 -13.759 23.292 2.943 1.00 1.00 C ATOM 1002 CD1 PHE A 61 -12.348 23.240 3.025 1.00 1.00 C ATOM 1003 CD2 PHE A 61 -14.462 22.236 2.318 1.00 1.00 C ATOM 1004 CE1 PHE A 61 -11.647 22.140 2.487 1.00 1.00 C ATOM 1005 CE2 PHE A 61 -13.759 21.137 1.780 1.00 1.00 C ATOM 1006 CZ PHE A 61 -12.352 21.088 1.865 1.00 1.00 C ATOM 0 H PHE A 61 -13.073 24.734 1.463 1.00 1.00 H new ATOM 0 HA PHE A 61 -15.227 26.330 2.673 1.00 1.00 H new ATOM 0 HB2 PHE A 61 -14.244 24.597 4.567 1.00 1.00 H new ATOM 0 HB3 PHE A 61 -15.587 24.257 3.493 1.00 1.00 H new ATOM 0 HD1 PHE A 61 -11.806 24.044 3.500 1.00 1.00 H new ATOM 0 HD2 PHE A 61 -15.539 22.271 2.252 1.00 1.00 H new ATOM 0 HE1 PHE A 61 -10.570 22.103 2.551 1.00 1.00 H new ATOM 0 HE2 PHE A 61 -14.299 20.333 1.303 1.00 1.00 H new ATOM 0 HZ PHE A 61 -11.815 20.246 1.454 1.00 1.00 H new ATOM 1016 N VAL A 62 -13.632 26.887 4.894 1.00 1.00 N ATOM 1017 CA VAL A 62 -12.815 27.712 5.768 1.00 1.00 C ATOM 1018 C VAL A 62 -12.247 26.846 6.895 1.00 1.00 C ATOM 1019 O VAL A 62 -13.004 26.043 7.460 1.00 1.00 O ATOM 1020 CB VAL A 62 -13.631 28.900 6.280 1.00 1.00 C ATOM 1021 CG1 VAL A 62 -12.718 29.995 6.834 1.00 1.00 C ATOM 1022 CG2 VAL A 62 -14.545 29.451 5.184 1.00 1.00 C ATOM 0 H VAL A 62 -14.441 26.466 5.351 1.00 1.00 H new ATOM 0 HA VAL A 62 -11.970 28.128 5.220 1.00 1.00 H new ATOM 0 HB VAL A 62 -14.262 28.546 7.095 1.00 1.00 H new ATOM 0 HG11 VAL A 62 -13.324 30.828 7.191 1.00 1.00 H new ATOM 0 HG12 VAL A 62 -12.129 29.595 7.659 1.00 1.00 H new ATOM 0 HG13 VAL A 62 -12.050 30.344 6.047 1.00 1.00 H new ATOM 0 HG21 VAL A 62 -15.114 30.295 5.575 1.00 1.00 H new ATOM 0 HG22 VAL A 62 -13.941 29.781 4.338 1.00 1.00 H new ATOM 0 HG23 VAL A 62 -15.232 28.671 4.857 1.00 1.00 H new ATOM 1032 N LYS A 63 -10.948 27.023 7.194 1.00 1.00 N ATOM 1033 CA LYS A 63 -10.288 26.263 8.242 1.00 1.00 C ATOM 1034 C LYS A 63 -10.123 27.147 9.480 1.00 1.00 C ATOM 1035 O LYS A 63 -9.858 28.347 9.316 1.00 1.00 O ATOM 1036 CB LYS A 63 -8.974 25.672 7.729 1.00 1.00 C ATOM 1037 CG LYS A 63 -8.929 25.679 6.200 1.00 1.00 C ATOM 1038 CD LYS A 63 -7.485 25.703 5.694 1.00 1.00 C ATOM 1039 CE LYS A 63 -7.431 25.483 4.181 1.00 1.00 C ATOM 1040 NZ LYS A 63 -7.891 24.126 3.841 1.00 1.00 N ATOM 0 H LYS A 63 -10.342 27.691 6.716 1.00 1.00 H new ATOM 0 HA LYS A 63 -10.900 25.411 8.537 1.00 1.00 H new ATOM 0 HB2 LYS A 63 -8.135 26.245 8.124 1.00 1.00 H new ATOM 0 HB3 LYS A 63 -8.863 24.651 8.095 1.00 1.00 H new ATOM 0 HG2 LYS A 63 -9.439 24.797 5.814 1.00 1.00 H new ATOM 0 HG3 LYS A 63 -9.466 26.549 5.821 1.00 1.00 H new ATOM 0 HD2 LYS A 63 -7.024 26.659 5.943 1.00 1.00 H new ATOM 0 HD3 LYS A 63 -6.906 24.929 6.199 1.00 1.00 H new ATOM 0 HE2 LYS A 63 -8.055 26.222 3.678 1.00 1.00 H new ATOM 0 HE3 LYS A 63 -6.412 25.629 3.822 1.00 1.00 H new ATOM 0 HZ1 LYS A 63 -7.262 23.716 3.121 1.00 1.00 H new ATOM 0 HZ2 LYS A 63 -7.876 23.530 4.693 1.00 1.00 H new ATOM 0 HZ3 LYS A 63 -8.861 24.171 3.468 1.00 1.00 H new ATOM 1054 N ILE A 64 -10.281 26.548 10.673 1.00 1.00 N ATOM 1055 CA ILE A 64 -10.151 27.276 11.924 1.00 1.00 C ATOM 1056 C ILE A 64 -9.220 26.506 12.863 1.00 1.00 C ATOM 1057 O ILE A 64 -9.658 26.150 13.967 1.00 1.00 O ATOM 1058 CB ILE A 64 -11.529 27.563 12.524 1.00 1.00 C ATOM 1059 CG1 ILE A 64 -12.324 26.269 12.714 1.00 1.00 C ATOM 1060 CG2 ILE A 64 -12.292 28.586 11.680 1.00 1.00 C ATOM 1061 CD1 ILE A 64 -12.673 26.052 14.188 1.00 1.00 C ATOM 0 H ILE A 64 -10.499 25.558 10.786 1.00 1.00 H new ATOM 0 HA ILE A 64 -9.695 28.251 11.751 1.00 1.00 H new ATOM 0 HB ILE A 64 -11.387 28.002 13.512 1.00 1.00 H new ATOM 0 HG12 ILE A 64 -13.238 26.309 12.122 1.00 1.00 H new ATOM 0 HG13 ILE A 64 -11.743 25.423 12.346 1.00 1.00 H new ATOM 0 HG21 ILE A 64 -13.268 28.772 12.128 1.00 1.00 H new ATOM 0 HG22 ILE A 64 -11.728 29.518 11.639 1.00 1.00 H new ATOM 0 HG23 ILE A 64 -12.425 28.198 10.670 1.00 1.00 H new ATOM 0 HD11 ILE A 64 -13.238 25.126 14.296 1.00 1.00 H new ATOM 0 HD12 ILE A 64 -11.756 25.988 14.773 1.00 1.00 H new ATOM 0 HD13 ILE A 64 -13.274 26.887 14.546 1.00 1.00 H new ATOM 1073 N PRO A 65 -7.974 26.267 12.414 1.00 1.00 N ATOM 1074 CA PRO A 65 -6.969 25.551 13.180 1.00 1.00 C ATOM 1075 C PRO A 65 -6.404 26.428 14.299 1.00 1.00 C ATOM 1076 O PRO A 65 -5.213 26.289 14.613 1.00 1.00 O ATOM 1077 CB PRO A 65 -5.919 25.138 12.162 1.00 1.00 C ATOM 1078 CG PRO A 65 -6.137 26.031 10.952 1.00 1.00 C ATOM 1079 CD PRO A 65 -7.492 26.702 11.106 1.00 1.00 C ATOM 0 HA PRO A 65 -7.374 24.678 13.692 1.00 1.00 H new ATOM 0 HB2 PRO A 65 -4.914 25.264 12.565 1.00 1.00 H new ATOM 0 HB3 PRO A 65 -6.026 24.086 11.896 1.00 1.00 H new ATOM 0 HG2 PRO A 65 -5.347 26.778 10.882 1.00 1.00 H new ATOM 0 HG3 PRO A 65 -6.104 25.445 10.034 1.00 1.00 H new ATOM 0 HD2 PRO A 65 -7.404 27.787 11.057 1.00 1.00 H new ATOM 0 HD3 PRO A 65 -8.175 26.401 10.312 1.00 1.00 H new ATOM 1087 N ARG A 66 -7.255 27.301 14.868 1.00 1.00 N ATOM 1088 CA ARG A 66 -6.843 28.190 15.941 1.00 1.00 C ATOM 1089 C ARG A 66 -8.065 28.944 16.470 1.00 1.00 C ATOM 1090 O ARG A 66 -8.100 30.176 16.339 1.00 1.00 O ATOM 1091 CB ARG A 66 -5.796 29.200 15.465 1.00 1.00 C ATOM 1092 CG ARG A 66 -4.983 29.742 16.642 1.00 1.00 C ATOM 1093 CD ARG A 66 -4.401 31.119 16.318 1.00 1.00 C ATOM 1094 NE ARG A 66 -3.064 30.971 15.700 1.00 1.00 N ATOM 1095 CZ ARG A 66 -2.157 31.967 15.612 1.00 1.00 C ATOM 1096 NH1 ARG A 66 -2.465 33.173 16.108 1.00 1.00 N ATOM 1097 NH2 ARG A 66 -0.965 31.753 15.036 1.00 1.00 N ATOM 0 H ARG A 66 -8.232 27.401 14.593 1.00 1.00 H new ATOM 0 HA ARG A 66 -6.397 27.584 16.730 1.00 1.00 H new ATOM 0 HB2 ARG A 66 -5.129 28.726 14.745 1.00 1.00 H new ATOM 0 HB3 ARG A 66 -6.289 30.024 14.948 1.00 1.00 H new ATOM 0 HG2 ARG A 66 -5.617 29.810 17.526 1.00 1.00 H new ATOM 0 HG3 ARG A 66 -4.176 29.049 16.881 1.00 1.00 H new ATOM 0 HD2 ARG A 66 -5.067 31.654 15.641 1.00 1.00 H new ATOM 0 HD3 ARG A 66 -4.326 31.715 17.228 1.00 1.00 H new ATOM 0 HE ARG A 66 -2.812 30.060 15.317 1.00 1.00 H new ATOM 0 HH11 ARG A 66 -3.374 33.328 16.544 1.00 1.00 H new ATOM 0 HH12 ARG A 66 -1.791 33.936 16.049 1.00 1.00 H new ATOM 0 HH21 ARG A 66 -0.738 30.832 14.660 1.00 1.00 H new ATOM 0 HH22 ARG A 66 -0.285 32.511 14.974 1.00 1.00 H new ATOM 1111 N GLU A 67 -9.026 28.201 17.049 1.00 1.00 N ATOM 1112 CA GLU A 67 -10.236 28.796 17.591 1.00 1.00 C ATOM 1113 C GLU A 67 -10.000 29.176 19.055 1.00 1.00 C ATOM 1114 O GLU A 67 -9.447 28.350 19.796 1.00 1.00 O ATOM 1115 CB GLU A 67 -11.434 27.855 17.455 1.00 1.00 C ATOM 1116 CG GLU A 67 -12.690 28.472 18.074 1.00 1.00 C ATOM 1117 CD GLU A 67 -13.552 29.148 17.006 1.00 1.00 C ATOM 1118 OE1 GLU A 67 -13.852 28.404 15.996 1.00 1.00 O ATOM 1119 OE2 GLU A 67 -13.907 30.327 17.151 1.00 1.00 O ATOM 0 H GLU A 67 -8.977 27.187 17.148 1.00 1.00 H new ATOM 0 HA GLU A 67 -10.471 29.694 17.019 1.00 1.00 H new ATOM 0 HB2 GLU A 67 -11.613 27.638 16.402 1.00 1.00 H new ATOM 0 HB3 GLU A 67 -11.213 26.906 17.943 1.00 1.00 H new ATOM 0 HG2 GLU A 67 -13.269 27.698 18.578 1.00 1.00 H new ATOM 0 HG3 GLU A 67 -12.405 29.202 18.832 1.00 1.00 H new ATOM 1204 N GLY A 74 -10.292 19.064 17.828 1.00 1.00 N ATOM 1205 CA GLY A 74 -9.314 19.810 17.054 1.00 1.00 C ATOM 1206 C GLY A 74 -9.972 21.070 16.488 1.00 1.00 C ATOM 1207 O GLY A 74 -10.263 21.985 17.271 1.00 1.00 O ATOM 0 HA2 GLY A 74 -8.465 20.080 17.682 1.00 1.00 H new ATOM 0 HA3 GLY A 74 -8.927 19.192 16.243 1.00 1.00 H new ATOM 1211 N ASN A 75 -10.188 21.092 15.161 1.00 1.00 N ATOM 1212 CA ASN A 75 -10.804 22.230 14.500 1.00 1.00 C ATOM 1213 C ASN A 75 -12.004 21.749 13.681 1.00 1.00 C ATOM 1214 O ASN A 75 -12.364 20.569 13.798 1.00 1.00 O ATOM 1215 CB ASN A 75 -9.822 22.911 13.545 1.00 1.00 C ATOM 1216 CG ASN A 75 -8.730 21.938 13.096 1.00 1.00 C ATOM 1217 OD1 ASN A 75 -9.064 21.199 12.042 1.00 1.00 O flip ATOM 1218 ND2 ASN A 75 -7.656 21.863 13.668 1.00 1.00 N flip ATOM 0 H ASN A 75 -9.940 20.327 14.534 1.00 1.00 H new ATOM 0 HA ASN A 75 -11.111 22.941 15.267 1.00 1.00 H new ATOM 0 HB2 ASN A 75 -10.358 23.288 12.674 1.00 1.00 H new ATOM 0 HB3 ASN A 75 -9.368 23.771 14.037 1.00 1.00 H new ATOM 0 HD21 ASN A 75 -7.464 22.460 14.472 1.00 1.00 H new ATOM 0 HD22 ASN A 75 -6.950 21.203 13.342 1.00 1.00 H new ATOM 1225 N TYR A 76 -12.590 22.658 12.881 1.00 1.00 N ATOM 1226 CA TYR A 76 -13.738 22.267 12.081 1.00 1.00 C ATOM 1227 C TYR A 76 -13.892 23.238 10.908 1.00 1.00 C ATOM 1228 O TYR A 76 -14.083 24.435 11.166 1.00 1.00 O ATOM 1229 CB TYR A 76 -15.003 22.220 12.956 1.00 1.00 C ATOM 1230 CG TYR A 76 -15.088 23.323 14.002 1.00 1.00 C ATOM 1231 CD1 TYR A 76 -15.460 24.632 13.620 1.00 1.00 C ATOM 1232 CD2 TYR A 76 -14.803 23.046 15.359 1.00 1.00 C ATOM 1233 CE1 TYR A 76 -15.543 25.657 14.586 1.00 1.00 C ATOM 1234 CE2 TYR A 76 -14.887 24.071 16.325 1.00 1.00 C ATOM 1235 CZ TYR A 76 -15.256 25.378 15.940 1.00 1.00 C ATOM 1236 OH TYR A 76 -15.337 26.374 16.872 1.00 1.00 O ATOM 0 H TYR A 76 -12.294 23.629 12.780 1.00 1.00 H new ATOM 0 HA TYR A 76 -13.586 21.266 11.677 1.00 1.00 H new ATOM 0 HB2 TYR A 76 -15.879 22.281 12.310 1.00 1.00 H new ATOM 0 HB3 TYR A 76 -15.045 21.254 13.460 1.00 1.00 H new ATOM 0 HD1 TYR A 76 -15.681 24.848 12.585 1.00 1.00 H new ATOM 0 HD2 TYR A 76 -14.520 22.047 15.657 1.00 1.00 H new ATOM 0 HE1 TYR A 76 -15.826 26.656 14.289 1.00 1.00 H new ATOM 0 HE2 TYR A 76 -14.669 23.855 17.360 1.00 1.00 H new ATOM 0 HH TYR A 76 -15.023 27.215 16.480 1.00 1.00 H new ATOM 1246 N TRP A 77 -13.799 22.720 9.671 1.00 1.00 N ATOM 1247 CA TRP A 77 -13.918 23.544 8.480 1.00 1.00 C ATOM 1248 C TRP A 77 -15.368 23.520 7.992 1.00 1.00 C ATOM 1249 O TRP A 77 -16.065 22.531 8.263 1.00 1.00 O ATOM 1250 CB TRP A 77 -12.921 23.085 7.415 1.00 1.00 C ATOM 1251 CG TRP A 77 -11.508 22.843 7.948 1.00 1.00 C ATOM 1252 CD1 TRP A 77 -11.092 22.861 9.222 1.00 1.00 C ATOM 1253 CD2 TRP A 77 -10.333 22.543 7.166 1.00 1.00 C ATOM 1254 NE1 TRP A 77 -9.741 22.597 9.318 1.00 1.00 N ATOM 1255 CE2 TRP A 77 -9.265 22.396 8.027 1.00 1.00 C ATOM 1256 CE3 TRP A 77 -10.178 22.399 5.775 1.00 1.00 C ATOM 1257 CZ2 TRP A 77 -7.967 22.100 7.595 1.00 1.00 C ATOM 1258 CZ3 TRP A 77 -8.875 22.103 5.360 1.00 1.00 C ATOM 1259 CH2 TRP A 77 -7.789 21.952 6.214 1.00 1.00 C ATOM 0 H TRP A 77 -13.641 21.730 9.481 1.00 1.00 H new ATOM 0 HA TRP A 77 -13.667 24.580 8.710 1.00 1.00 H new ATOM 0 HB2 TRP A 77 -13.289 22.165 6.960 1.00 1.00 H new ATOM 0 HB3 TRP A 77 -12.877 23.836 6.626 1.00 1.00 H new ATOM 0 HD1 TRP A 77 -11.734 23.058 10.068 1.00 1.00 H new ATOM 0 HE1 TRP A 77 -9.193 22.557 10.177 1.00 1.00 H new ATOM 0 HE3 TRP A 77 -11.000 22.508 5.083 1.00 1.00 H new ATOM 0 HZ2 TRP A 77 -7.147 21.992 8.289 1.00 1.00 H new ATOM 0 HZ3 TRP A 77 -8.701 21.983 4.301 1.00 1.00 H new ATOM 0 HH2 TRP A 77 -6.812 21.722 5.814 1.00 1.00 H new ATOM 1270 N THR A 78 -15.787 24.591 7.294 1.00 1.00 N ATOM 1271 CA THR A 78 -17.140 24.690 6.775 1.00 1.00 C ATOM 1272 C THR A 78 -17.088 25.106 5.303 1.00 1.00 C ATOM 1273 O THR A 78 -16.198 25.890 4.943 1.00 1.00 O ATOM 1274 CB THR A 78 -17.930 25.663 7.653 1.00 1.00 C ATOM 1275 OG1 THR A 78 -17.177 26.871 7.599 1.00 1.00 O ATOM 1276 CG2 THR A 78 -17.900 25.272 9.132 1.00 1.00 C ATOM 0 H THR A 78 -15.197 25.396 7.082 1.00 1.00 H new ATOM 0 HA THR A 78 -17.654 23.729 6.810 1.00 1.00 H new ATOM 0 HB THR A 78 -18.963 25.705 7.308 1.00 1.00 H new ATOM 0 HG1 THR A 78 -17.620 27.557 8.141 1.00 1.00 H new ATOM 0 HG21 THR A 78 -18.475 25.994 9.711 1.00 1.00 H new ATOM 0 HG22 THR A 78 -18.335 24.280 9.255 1.00 1.00 H new ATOM 0 HG23 THR A 78 -16.869 25.263 9.485 1.00 1.00 H new ATOM 1284 N LEU A 79 -18.028 24.583 4.496 1.00 1.00 N ATOM 1285 CA LEU A 79 -18.088 24.898 3.079 1.00 1.00 C ATOM 1286 C LEU A 79 -18.562 26.342 2.901 1.00 1.00 C ATOM 1287 O LEU A 79 -19.285 26.837 3.778 1.00 1.00 O ATOM 1288 CB LEU A 79 -18.949 23.872 2.338 1.00 1.00 C ATOM 1289 CG LEU A 79 -18.190 22.798 1.557 1.00 1.00 C ATOM 1290 CD1 LEU A 79 -18.239 21.453 2.284 1.00 1.00 C ATOM 1291 CD2 LEU A 79 -18.710 22.693 0.122 1.00 1.00 C ATOM 0 H LEU A 79 -18.753 23.940 4.813 1.00 1.00 H new ATOM 0 HA LEU A 79 -17.096 24.830 2.632 1.00 1.00 H new ATOM 0 HB2 LEU A 79 -19.595 23.377 3.064 1.00 1.00 H new ATOM 0 HB3 LEU A 79 -19.599 24.406 1.645 1.00 1.00 H new ATOM 0 HG LEU A 79 -17.143 23.094 1.499 1.00 1.00 H new ATOM 0 HD11 LEU A 79 -17.692 20.707 1.707 1.00 1.00 H new ATOM 0 HD12 LEU A 79 -17.784 21.555 3.269 1.00 1.00 H new ATOM 0 HD13 LEU A 79 -19.276 21.137 2.394 1.00 1.00 H new ATOM 0 HD21 LEU A 79 -18.153 21.922 -0.411 1.00 1.00 H new ATOM 0 HD22 LEU A 79 -19.768 22.432 0.137 1.00 1.00 H new ATOM 0 HD23 LEU A 79 -18.579 23.650 -0.383 1.00 1.00 H new ATOM 1303 N ASP A 80 -18.152 26.977 1.789 1.00 1.00 N ATOM 1304 CA ASP A 80 -18.532 28.350 1.502 1.00 1.00 C ATOM 1305 C ASP A 80 -19.955 28.374 0.940 1.00 1.00 C ATOM 1306 O ASP A 80 -20.784 29.129 1.467 1.00 1.00 O ATOM 1307 CB ASP A 80 -17.601 28.973 0.460 1.00 1.00 C ATOM 1308 CG ASP A 80 -16.949 30.291 0.882 1.00 1.00 C ATOM 1309 OD1 ASP A 80 -17.693 31.063 1.599 1.00 1.00 O ATOM 1310 OD2 ASP A 80 -15.788 30.567 0.542 1.00 1.00 O ATOM 0 H ASP A 80 -17.556 26.550 1.080 1.00 1.00 H new ATOM 0 HA ASP A 80 -18.467 28.919 2.429 1.00 1.00 H new ATOM 0 HB2 ASP A 80 -16.815 28.256 0.222 1.00 1.00 H new ATOM 0 HB3 ASP A 80 -18.167 29.142 -0.456 1.00 1.00 H new