USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=16 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 : amide:sc= -1.21! C(o=-6.9!,f=-15!) USER MOD Set 1.2: A 58 ASN : amide:sc= -5.71! C(o=-6.9!,f=-13!) USER MOD Set 2.1: A 8 TYR OH : rot 130:sc= 1.04 USER MOD Set 2.2: A 50 SER OG : rot -114:sc= 1.27 USER MOD Single : A 7 SER OG : rot -14:sc= -1.4! USER MOD Single : A 13 THR OG1 : rot 130:sc= -1.07 USER MOD Single : A 14 MET CE :methyl 144:sc= -1.9 (180deg=-6.84!) USER MOD Single : A 18 GLN : amide:sc= -1.98! C(o=-2!,f=-1.7!) USER MOD Single : A 19 SER OG : rot -110:sc= -2.26! USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) 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 44:sc= 0.698 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 180:sc= -1.56 USER MOD Single : A 34 SER OG : rot -99:sc= -1.44 USER MOD Single : A 35 ASN : amide:sc= -0.37 K(o=-0.37,f=-3.1!) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -6.31! C(o=-6.3!,f=-13!) USER MOD Single : A 49 ASN : amide:sc= -0.195 K(o=-0.19,f=-5.2!) USER MOD Single : A 53 HIS : no HD1:sc= -0.0087 X(o=-0.0087,f=-0.11) USER MOD Single : A 56 SER OG : rot -36:sc= 0.383 USER MOD Single : A 60 CYS SG : rot 82:sc= -2.23! USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -6.02! C(o=-6!,f=-8.3!) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 105 N SER A 7 2.862 10.969 -9.487 1.00 1.00 N ATOM 106 CA SER A 7 3.424 11.822 -10.521 1.00 1.00 C ATOM 107 C SER A 7 4.685 12.502 -9.986 1.00 1.00 C ATOM 108 O SER A 7 4.758 12.737 -8.771 1.00 1.00 O ATOM 109 CB SER A 7 2.414 12.871 -10.991 1.00 1.00 C ATOM 110 OG SER A 7 1.473 13.200 -9.974 1.00 1.00 O ATOM 0 HA SER A 7 3.677 11.202 -11.381 1.00 1.00 H new ATOM 0 HB2 SER A 7 2.944 13.772 -11.299 1.00 1.00 H new ATOM 0 HB3 SER A 7 1.885 12.497 -11.867 1.00 1.00 H new ATOM 0 HG SER A 7 1.521 12.535 -9.256 1.00 1.00 H new ATOM 116 N TYR A 8 5.639 12.798 -10.887 1.00 1.00 N ATOM 117 CA TYR A 8 6.863 13.441 -10.441 1.00 1.00 C ATOM 118 C TYR A 8 6.650 14.955 -10.390 1.00 1.00 C ATOM 119 O TYR A 8 6.622 15.501 -9.277 1.00 1.00 O ATOM 120 CB TYR A 8 8.030 13.057 -11.370 1.00 1.00 C ATOM 121 CG TYR A 8 9.272 12.552 -10.648 1.00 1.00 C ATOM 122 CD1 TYR A 8 9.942 13.376 -9.715 1.00 1.00 C ATOM 123 CD2 TYR A 8 9.765 11.254 -10.914 1.00 1.00 C ATOM 124 CE1 TYR A 8 11.094 12.904 -9.051 1.00 1.00 C ATOM 125 CE2 TYR A 8 10.917 10.782 -10.250 1.00 1.00 C ATOM 126 CZ TYR A 8 11.583 11.606 -9.317 1.00 1.00 C ATOM 127 OH TYR A 8 12.697 11.145 -8.676 1.00 1.00 O ATOM 0 H TYR A 8 5.582 12.607 -11.887 1.00 1.00 H new ATOM 0 HA TYR A 8 7.119 13.100 -9.438 1.00 1.00 H new ATOM 0 HB2 TYR A 8 7.689 12.287 -12.062 1.00 1.00 H new ATOM 0 HB3 TYR A 8 8.302 13.926 -11.969 1.00 1.00 H new ATOM 0 HD1 TYR A 8 9.571 14.369 -9.510 1.00 1.00 H new ATOM 0 HD2 TYR A 8 9.258 10.622 -11.628 1.00 1.00 H new ATOM 0 HE1 TYR A 8 11.603 13.536 -8.338 1.00 1.00 H new ATOM 0 HE2 TYR A 8 11.290 9.789 -10.456 1.00 1.00 H new ATOM 0 HH TYR A 8 12.513 10.261 -8.296 1.00 1.00 H new ATOM 137 N ILE A 9 6.516 15.593 -11.566 1.00 1.00 N ATOM 138 CA ILE A 9 6.318 17.030 -11.644 1.00 1.00 C ATOM 139 C ILE A 9 5.128 17.426 -10.769 1.00 1.00 C ATOM 140 O ILE A 9 5.310 18.252 -9.863 1.00 1.00 O ATOM 141 CB ILE A 9 6.184 17.474 -13.102 1.00 1.00 C ATOM 142 CG1 ILE A 9 5.168 16.606 -13.848 1.00 1.00 C ATOM 143 CG2 ILE A 9 7.546 17.490 -13.799 1.00 1.00 C ATOM 144 CD1 ILE A 9 3.859 17.364 -14.073 1.00 1.00 C ATOM 0 H ILE A 9 6.543 15.124 -12.472 1.00 1.00 H new ATOM 0 HA ILE A 9 7.189 17.556 -11.253 1.00 1.00 H new ATOM 0 HB ILE A 9 5.805 18.496 -13.114 1.00 1.00 H new ATOM 0 HG12 ILE A 9 5.583 16.298 -14.807 1.00 1.00 H new ATOM 0 HG13 ILE A 9 4.973 15.697 -13.278 1.00 1.00 H new ATOM 0 HG21 ILE A 9 7.421 17.809 -14.834 1.00 1.00 H new ATOM 0 HG22 ILE A 9 8.211 18.183 -13.283 1.00 1.00 H new ATOM 0 HG23 ILE A 9 7.978 16.489 -13.777 1.00 1.00 H new ATOM 0 HD11 ILE A 9 3.155 16.724 -14.605 1.00 1.00 H new ATOM 0 HD12 ILE A 9 3.434 17.650 -13.111 1.00 1.00 H new ATOM 0 HD13 ILE A 9 4.054 18.259 -14.664 1.00 1.00 H new ATOM 156 N ALA A 10 3.951 16.838 -11.051 1.00 1.00 N ATOM 157 CA ALA A 10 2.745 17.127 -10.294 1.00 1.00 C ATOM 158 C ALA A 10 3.041 16.993 -8.799 1.00 1.00 C ATOM 159 O ALA A 10 2.409 17.705 -8.006 1.00 1.00 O ATOM 160 CB ALA A 10 1.673 16.083 -10.615 1.00 1.00 C ATOM 0 H ALA A 10 3.822 16.160 -11.802 1.00 1.00 H new ATOM 0 HA ALA A 10 2.410 18.132 -10.550 1.00 1.00 H new ATOM 0 HB1 ALA A 10 0.770 16.302 -10.046 1.00 1.00 H new ATOM 0 HB2 ALA A 10 1.446 16.110 -11.681 1.00 1.00 H new ATOM 0 HB3 ALA A 10 2.039 15.092 -10.347 1.00 1.00 H new ATOM 166 N LEU A 11 3.981 16.096 -8.450 1.00 1.00 N ATOM 167 CA LEU A 11 4.355 15.873 -7.064 1.00 1.00 C ATOM 168 C LEU A 11 5.179 17.062 -6.564 1.00 1.00 C ATOM 169 O LEU A 11 5.050 17.414 -5.383 1.00 1.00 O ATOM 170 CB LEU A 11 5.065 14.526 -6.910 1.00 1.00 C ATOM 171 CG LEU A 11 5.887 14.343 -5.633 1.00 1.00 C ATOM 172 CD1 LEU A 11 5.937 12.871 -5.220 1.00 1.00 C ATOM 173 CD2 LEU A 11 7.286 14.941 -5.791 1.00 1.00 C ATOM 0 H LEU A 11 4.490 15.518 -9.119 1.00 1.00 H new ATOM 0 HA LEU A 11 3.466 15.813 -6.436 1.00 1.00 H new ATOM 0 HB2 LEU A 11 4.315 13.736 -6.952 1.00 1.00 H new ATOM 0 HB3 LEU A 11 5.725 14.386 -7.766 1.00 1.00 H new ATOM 0 HG LEU A 11 5.393 14.887 -4.828 1.00 1.00 H new ATOM 0 HD11 LEU A 11 6.527 12.768 -4.309 1.00 1.00 H new ATOM 0 HD12 LEU A 11 4.925 12.509 -5.039 1.00 1.00 H new ATOM 0 HD13 LEU A 11 6.394 12.285 -6.017 1.00 1.00 H new ATOM 0 HD21 LEU A 11 7.849 14.797 -4.869 1.00 1.00 H new ATOM 0 HD22 LEU A 11 7.803 14.446 -6.613 1.00 1.00 H new ATOM 0 HD23 LEU A 11 7.204 16.007 -6.004 1.00 1.00 H new ATOM 185 N ILE A 12 5.995 17.647 -7.459 1.00 1.00 N ATOM 186 CA ILE A 12 6.829 18.785 -7.111 1.00 1.00 C ATOM 187 C ILE A 12 5.991 20.063 -7.168 1.00 1.00 C ATOM 188 O ILE A 12 6.002 20.820 -6.186 1.00 1.00 O ATOM 189 CB ILE A 12 8.075 18.827 -7.998 1.00 1.00 C ATOM 190 CG1 ILE A 12 9.175 17.920 -7.442 1.00 1.00 C ATOM 191 CG2 ILE A 12 8.562 20.264 -8.193 1.00 1.00 C ATOM 192 CD1 ILE A 12 9.082 16.515 -8.042 1.00 1.00 C ATOM 0 H ILE A 12 6.086 17.341 -8.428 1.00 1.00 H new ATOM 0 HA ILE A 12 7.196 18.690 -6.089 1.00 1.00 H new ATOM 0 HB ILE A 12 7.806 18.442 -8.982 1.00 1.00 H new ATOM 0 HG12 ILE A 12 10.152 18.350 -7.663 1.00 1.00 H new ATOM 0 HG13 ILE A 12 9.090 17.862 -6.357 1.00 1.00 H new ATOM 0 HG21 ILE A 12 9.449 20.265 -8.827 1.00 1.00 H new ATOM 0 HG22 ILE A 12 7.777 20.853 -8.666 1.00 1.00 H new ATOM 0 HG23 ILE A 12 8.808 20.699 -7.225 1.00 1.00 H new ATOM 0 HD11 ILE A 12 9.875 15.890 -7.630 1.00 1.00 H new ATOM 0 HD12 ILE A 12 8.113 16.079 -7.799 1.00 1.00 H new ATOM 0 HD13 ILE A 12 9.192 16.574 -9.125 1.00 1.00 H new ATOM 204 N THR A 13 5.292 20.275 -8.297 1.00 1.00 N ATOM 205 CA THR A 13 4.457 21.451 -8.476 1.00 1.00 C ATOM 206 C THR A 13 3.565 21.630 -7.247 1.00 1.00 C ATOM 207 O THR A 13 3.320 22.781 -6.858 1.00 1.00 O ATOM 208 CB THR A 13 3.671 21.298 -9.780 1.00 1.00 C ATOM 209 OG1 THR A 13 2.971 20.067 -9.621 1.00 1.00 O ATOM 210 CG2 THR A 13 4.580 21.056 -10.987 1.00 1.00 C ATOM 0 H THR A 13 5.296 19.639 -9.094 1.00 1.00 H new ATOM 0 HA THR A 13 5.055 22.358 -8.562 1.00 1.00 H new ATOM 0 HB THR A 13 3.073 22.193 -9.950 1.00 1.00 H new ATOM 0 HG1 THR A 13 2.024 20.200 -9.834 1.00 1.00 H new ATOM 0 HG21 THR A 13 3.972 20.955 -11.886 1.00 1.00 H new ATOM 0 HG22 THR A 13 5.262 21.898 -11.103 1.00 1.00 H new ATOM 0 HG23 THR A 13 5.154 20.143 -10.833 1.00 1.00 H new ATOM 218 N MET A 14 3.104 20.506 -6.668 1.00 1.00 N ATOM 219 CA MET A 14 2.247 20.540 -5.495 1.00 1.00 C ATOM 220 C MET A 14 3.096 20.839 -4.258 1.00 1.00 C ATOM 221 O MET A 14 2.539 21.326 -3.263 1.00 1.00 O ATOM 222 CB MET A 14 1.538 19.196 -5.315 1.00 1.00 C ATOM 223 CG MET A 14 2.531 18.101 -4.919 1.00 1.00 C ATOM 224 SD MET A 14 1.688 16.822 -3.941 1.00 1.00 S ATOM 225 CE MET A 14 3.078 15.692 -3.637 1.00 1.00 C ATOM 0 H MET A 14 3.318 19.567 -7.003 1.00 1.00 H new ATOM 0 HA MET A 14 1.496 21.319 -5.626 1.00 1.00 H new ATOM 0 HB2 MET A 14 0.767 19.287 -4.550 1.00 1.00 H new ATOM 0 HB3 MET A 14 1.036 18.919 -6.242 1.00 1.00 H new ATOM 0 HG2 MET A 14 2.971 17.657 -5.812 1.00 1.00 H new ATOM 0 HG3 MET A 14 3.349 18.532 -4.342 1.00 1.00 H new ATOM 0 HE1 MET A 14 2.986 15.263 -2.639 1.00 1.00 H new ATOM 0 HE2 MET A 14 3.066 14.893 -4.378 1.00 1.00 H new ATOM 0 HE3 MET A 14 4.016 16.242 -3.711 1.00 1.00 H new ATOM 235 N ALA A 15 4.407 20.547 -4.341 1.00 1.00 N ATOM 236 CA ALA A 15 5.320 20.784 -3.237 1.00 1.00 C ATOM 237 C ALA A 15 5.701 22.265 -3.203 1.00 1.00 C ATOM 238 O ALA A 15 6.028 22.766 -2.117 1.00 1.00 O ATOM 239 CB ALA A 15 6.621 20.012 -3.470 1.00 1.00 C ATOM 0 H ALA A 15 4.847 20.146 -5.169 1.00 1.00 H new ATOM 0 HA ALA A 15 4.832 20.472 -2.314 1.00 1.00 H new ATOM 0 HB1 ALA A 15 7.304 20.192 -2.640 1.00 1.00 H new ATOM 0 HB2 ALA A 15 6.404 18.946 -3.537 1.00 1.00 H new ATOM 0 HB3 ALA A 15 7.082 20.348 -4.399 1.00 1.00 H new ATOM 245 N ILE A 16 5.651 22.926 -4.373 1.00 1.00 N ATOM 246 CA ILE A 16 5.988 24.336 -4.477 1.00 1.00 C ATOM 247 C ILE A 16 4.800 25.176 -4.005 1.00 1.00 C ATOM 248 O ILE A 16 4.978 25.985 -3.083 1.00 1.00 O ATOM 249 CB ILE A 16 6.455 24.673 -5.894 1.00 1.00 C ATOM 250 CG1 ILE A 16 7.928 24.307 -6.088 1.00 1.00 C ATOM 251 CG2 ILE A 16 6.180 26.140 -6.228 1.00 1.00 C ATOM 252 CD1 ILE A 16 8.204 22.878 -5.617 1.00 1.00 C ATOM 0 H ILE A 16 5.378 22.495 -5.256 1.00 1.00 H new ATOM 0 HA ILE A 16 6.828 24.576 -3.825 1.00 1.00 H new ATOM 0 HB ILE A 16 5.879 24.070 -6.596 1.00 1.00 H new ATOM 0 HG12 ILE A 16 8.195 24.405 -7.140 1.00 1.00 H new ATOM 0 HG13 ILE A 16 8.556 25.004 -5.533 1.00 1.00 H new ATOM 0 HG21 ILE A 16 6.522 26.353 -7.241 1.00 1.00 H new ATOM 0 HG22 ILE A 16 5.110 26.335 -6.158 1.00 1.00 H new ATOM 0 HG23 ILE A 16 6.712 26.779 -5.524 1.00 1.00 H new ATOM 0 HD11 ILE A 16 9.258 22.643 -5.766 1.00 1.00 H new ATOM 0 HD12 ILE A 16 7.959 22.790 -4.559 1.00 1.00 H new ATOM 0 HD13 ILE A 16 7.592 22.181 -6.190 1.00 1.00 H new ATOM 264 N LEU A 17 3.629 24.971 -4.635 1.00 1.00 N ATOM 265 CA LEU A 17 2.425 25.704 -4.281 1.00 1.00 C ATOM 266 C LEU A 17 2.220 25.639 -2.766 1.00 1.00 C ATOM 267 O LEU A 17 1.631 26.577 -2.211 1.00 1.00 O ATOM 268 CB LEU A 17 1.230 25.191 -5.086 1.00 1.00 C ATOM 269 CG LEU A 17 0.701 23.809 -4.695 1.00 1.00 C ATOM 270 CD1 LEU A 17 -0.239 23.902 -3.492 1.00 1.00 C ATOM 271 CD2 LEU A 17 0.039 23.118 -5.888 1.00 1.00 C ATOM 0 H LEU A 17 3.503 24.299 -5.392 1.00 1.00 H new ATOM 0 HA LEU A 17 2.529 26.757 -4.544 1.00 1.00 H new ATOM 0 HB2 LEU A 17 0.417 25.910 -4.989 1.00 1.00 H new ATOM 0 HB3 LEU A 17 1.510 25.166 -6.139 1.00 1.00 H new ATOM 0 HG LEU A 17 1.548 23.192 -4.395 1.00 1.00 H new ATOM 0 HD11 LEU A 17 -0.601 22.906 -3.235 1.00 1.00 H new ATOM 0 HD12 LEU A 17 0.298 24.324 -2.642 1.00 1.00 H new ATOM 0 HD13 LEU A 17 -1.085 24.542 -3.740 1.00 1.00 H new ATOM 0 HD21 LEU A 17 -0.328 22.138 -5.583 1.00 1.00 H new ATOM 0 HD22 LEU A 17 -0.795 23.724 -6.243 1.00 1.00 H new ATOM 0 HD23 LEU A 17 0.768 22.999 -6.690 1.00 1.00 H new ATOM 283 N GLN A 18 2.703 24.551 -2.140 1.00 1.00 N ATOM 284 CA GLN A 18 2.573 24.369 -0.704 1.00 1.00 C ATOM 285 C GLN A 18 3.344 25.476 0.018 1.00 1.00 C ATOM 286 O GLN A 18 3.146 25.638 1.231 1.00 1.00 O ATOM 287 CB GLN A 18 3.061 22.986 -0.266 1.00 1.00 C ATOM 288 CG GLN A 18 4.559 23.006 0.043 1.00 1.00 C ATOM 289 CD GLN A 18 4.807 23.146 1.546 1.00 1.00 C ATOM 290 OE1 GLN A 18 3.993 23.670 2.289 1.00 1.00 O ATOM 291 NE2 GLN A 18 5.973 22.650 1.950 1.00 1.00 N ATOM 0 H GLN A 18 3.186 23.790 -2.617 1.00 1.00 H new ATOM 0 HA GLN A 18 1.518 24.432 -0.438 1.00 1.00 H new ATOM 0 HB2 GLN A 18 2.508 22.664 0.617 1.00 1.00 H new ATOM 0 HB3 GLN A 18 2.858 22.259 -1.052 1.00 1.00 H new ATOM 0 HG2 GLN A 18 5.021 22.089 -0.322 1.00 1.00 H new ATOM 0 HG3 GLN A 18 5.032 23.833 -0.486 1.00 1.00 H new ATOM 0 HE21 GLN A 18 6.608 22.225 1.274 1.00 1.00 H new ATOM 0 HE22 GLN A 18 6.232 22.695 2.935 1.00 1.00 H new ATOM 300 N SER A 19 4.194 26.204 -0.729 1.00 1.00 N ATOM 301 CA SER A 19 4.985 27.284 -0.164 1.00 1.00 C ATOM 302 C SER A 19 4.556 28.609 -0.796 1.00 1.00 C ATOM 303 O SER A 19 5.233 29.063 -1.730 1.00 1.00 O ATOM 304 CB SER A 19 6.482 27.053 -0.378 1.00 1.00 C ATOM 305 OG SER A 19 6.897 25.772 0.088 1.00 1.00 O ATOM 0 H SER A 19 4.343 26.054 -1.727 1.00 1.00 H new ATOM 0 HA SER A 19 4.810 27.316 0.911 1.00 1.00 H new ATOM 0 HB2 SER A 19 6.715 27.146 -1.439 1.00 1.00 H new ATOM 0 HB3 SER A 19 7.046 27.828 0.141 1.00 1.00 H new ATOM 0 HG SER A 19 7.454 25.879 0.887 1.00 1.00 H new ATOM 311 N PRO A 20 3.459 29.194 -0.283 1.00 1.00 N ATOM 312 CA PRO A 20 2.920 30.453 -0.768 1.00 1.00 C ATOM 313 C PRO A 20 3.774 31.632 -0.299 1.00 1.00 C ATOM 314 O PRO A 20 3.239 32.746 -0.202 1.00 1.00 O ATOM 315 CB PRO A 20 1.497 30.503 -0.237 1.00 1.00 C ATOM 316 CG PRO A 20 1.443 29.500 0.905 1.00 1.00 C ATOM 317 CD PRO A 20 2.686 28.630 0.819 1.00 1.00 C ATOM 0 HA PRO A 20 2.928 30.522 -1.856 1.00 1.00 H new ATOM 0 HB2 PRO A 20 1.245 31.505 0.111 1.00 1.00 H new ATOM 0 HB3 PRO A 20 0.780 30.246 -1.017 1.00 1.00 H new ATOM 0 HG2 PRO A 20 1.403 30.016 1.865 1.00 1.00 H new ATOM 0 HG3 PRO A 20 0.543 28.889 0.834 1.00 1.00 H new ATOM 0 HD2 PRO A 20 3.251 28.653 1.751 1.00 1.00 H new ATOM 0 HD3 PRO A 20 2.428 27.588 0.629 1.00 1.00 H new ATOM 325 N GLN A 21 5.064 31.369 -0.023 1.00 1.00 N ATOM 326 CA GLN A 21 5.981 32.402 0.430 1.00 1.00 C ATOM 327 C GLN A 21 7.090 32.584 -0.607 1.00 1.00 C ATOM 328 O GLN A 21 7.616 33.701 -0.718 1.00 1.00 O ATOM 329 CB GLN A 21 6.565 32.070 1.805 1.00 1.00 C ATOM 330 CG GLN A 21 7.544 33.154 2.261 1.00 1.00 C ATOM 331 CD GLN A 21 7.842 33.030 3.756 1.00 1.00 C ATOM 332 OE1 GLN A 21 7.489 33.879 4.558 1.00 1.00 O ATOM 333 NE2 GLN A 21 8.509 31.928 4.085 1.00 1.00 N ATOM 0 H GLN A 21 5.485 30.444 -0.110 1.00 1.00 H new ATOM 0 HA GLN A 21 5.431 33.337 0.536 1.00 1.00 H new ATOM 0 HB2 GLN A 21 5.759 31.973 2.533 1.00 1.00 H new ATOM 0 HB3 GLN A 21 7.075 31.108 1.765 1.00 1.00 H new ATOM 0 HG2 GLN A 21 8.471 33.073 1.694 1.00 1.00 H new ATOM 0 HG3 GLN A 21 7.126 34.138 2.050 1.00 1.00 H new ATOM 0 HE21 GLN A 21 8.774 31.258 3.363 1.00 1.00 H new ATOM 0 HE22 GLN A 21 8.756 31.753 5.059 1.00 1.00 H new ATOM 342 N LYS A 22 7.419 31.501 -1.334 1.00 1.00 N ATOM 343 CA LYS A 22 8.456 31.542 -2.351 1.00 1.00 C ATOM 344 C LYS A 22 9.779 31.069 -1.744 1.00 1.00 C ATOM 345 O LYS A 22 10.835 31.543 -2.189 1.00 1.00 O ATOM 346 CB LYS A 22 8.533 32.934 -2.983 1.00 1.00 C ATOM 347 CG LYS A 22 7.153 33.400 -3.450 1.00 1.00 C ATOM 348 CD LYS A 22 6.991 34.910 -3.261 1.00 1.00 C ATOM 349 CE LYS A 22 7.850 35.683 -4.264 1.00 1.00 C ATOM 350 NZ LYS A 22 7.748 37.131 -4.021 1.00 1.00 N ATOM 0 H LYS A 22 6.974 30.590 -1.227 1.00 1.00 H new ATOM 0 HA LYS A 22 8.216 30.860 -3.166 1.00 1.00 H new ATOM 0 HB2 LYS A 22 8.935 33.644 -2.260 1.00 1.00 H new ATOM 0 HB3 LYS A 22 9.220 32.916 -3.829 1.00 1.00 H new ATOM 0 HG2 LYS A 22 7.015 33.145 -4.501 1.00 1.00 H new ATOM 0 HG3 LYS A 22 6.379 32.875 -2.890 1.00 1.00 H new ATOM 0 HD2 LYS A 22 5.944 35.185 -3.385 1.00 1.00 H new ATOM 0 HD3 LYS A 22 7.275 35.186 -2.245 1.00 1.00 H new ATOM 0 HE2 LYS A 22 8.890 35.367 -4.181 1.00 1.00 H new ATOM 0 HE3 LYS A 22 7.527 35.455 -5.280 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 8.337 37.641 -4.710 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 6.757 37.431 -4.123 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 8.078 37.346 -3.058 1.00 1.00 H new ATOM 364 N LYS A 23 9.697 30.159 -0.757 1.00 1.00 N ATOM 365 CA LYS A 23 10.878 29.630 -0.098 1.00 1.00 C ATOM 366 C LYS A 23 10.688 28.133 0.157 1.00 1.00 C ATOM 367 O LYS A 23 10.014 27.783 1.137 1.00 1.00 O ATOM 368 CB LYS A 23 11.193 30.433 1.165 1.00 1.00 C ATOM 369 CG LYS A 23 12.067 31.646 0.841 1.00 1.00 C ATOM 370 CD LYS A 23 12.775 32.163 2.095 1.00 1.00 C ATOM 371 CE LYS A 23 11.952 33.256 2.778 1.00 1.00 C ATOM 372 NZ LYS A 23 12.243 33.296 4.220 1.00 1.00 N ATOM 0 H LYS A 23 8.817 29.781 -0.406 1.00 1.00 H new ATOM 0 HA LYS A 23 11.752 29.736 -0.741 1.00 1.00 H new ATOM 0 HB2 LYS A 23 10.265 30.764 1.631 1.00 1.00 H new ATOM 0 HB3 LYS A 23 11.703 29.796 1.887 1.00 1.00 H new ATOM 0 HG2 LYS A 23 12.806 31.375 0.087 1.00 1.00 H new ATOM 0 HG3 LYS A 23 11.452 32.438 0.414 1.00 1.00 H new ATOM 0 HD2 LYS A 23 12.940 31.339 2.790 1.00 1.00 H new ATOM 0 HD3 LYS A 23 13.756 32.555 1.827 1.00 1.00 H new ATOM 0 HE2 LYS A 23 12.177 34.223 2.329 1.00 1.00 H new ATOM 0 HE3 LYS A 23 10.889 33.071 2.621 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 11.676 34.044 4.668 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 12.006 32.378 4.648 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 13.254 33.495 4.365 1.00 1.00 H new ATOM 386 N LEU A 24 11.274 27.294 -0.716 1.00 1.00 N ATOM 387 CA LEU A 24 11.170 25.851 -0.586 1.00 1.00 C ATOM 388 C LEU A 24 12.411 25.316 0.131 1.00 1.00 C ATOM 389 O LEU A 24 13.524 25.556 -0.360 1.00 1.00 O ATOM 390 CB LEU A 24 10.922 25.206 -1.951 1.00 1.00 C ATOM 391 CG LEU A 24 9.462 25.137 -2.405 1.00 1.00 C ATOM 392 CD1 LEU A 24 8.632 24.276 -1.452 1.00 1.00 C ATOM 393 CD2 LEU A 24 8.873 26.539 -2.573 1.00 1.00 C ATOM 0 H LEU A 24 11.824 27.603 -1.518 1.00 1.00 H new ATOM 0 HA LEU A 24 10.309 25.586 0.027 1.00 1.00 H new ATOM 0 HB2 LEU A 24 11.489 25.759 -2.700 1.00 1.00 H new ATOM 0 HB3 LEU A 24 11.324 24.193 -1.930 1.00 1.00 H new ATOM 0 HG LEU A 24 9.430 24.656 -3.383 1.00 1.00 H new ATOM 0 HD11 LEU A 24 7.599 24.244 -1.797 1.00 1.00 H new ATOM 0 HD12 LEU A 24 9.038 23.265 -1.428 1.00 1.00 H new ATOM 0 HD13 LEU A 24 8.666 24.705 -0.451 1.00 1.00 H new ATOM 0 HD21 LEU A 24 7.835 26.461 -2.896 1.00 1.00 H new ATOM 0 HD22 LEU A 24 8.918 27.069 -1.622 1.00 1.00 H new ATOM 0 HD23 LEU A 24 9.446 27.087 -3.321 1.00 1.00 H new ATOM 405 N THR A 25 12.200 24.613 1.258 1.00 1.00 N ATOM 406 CA THR A 25 13.294 24.051 2.031 1.00 1.00 C ATOM 407 C THR A 25 13.452 22.570 1.683 1.00 1.00 C ATOM 408 O THR A 25 12.563 21.783 2.040 1.00 1.00 O ATOM 409 CB THR A 25 13.022 24.300 3.516 1.00 1.00 C ATOM 410 OG1 THR A 25 11.702 23.801 3.715 1.00 1.00 O ATOM 411 CG2 THR A 25 12.910 25.790 3.849 1.00 1.00 C ATOM 0 H THR A 25 11.275 24.427 1.645 1.00 1.00 H new ATOM 0 HA THR A 25 14.242 24.531 1.789 1.00 1.00 H new ATOM 0 HB THR A 25 13.819 23.853 4.111 1.00 1.00 H new ATOM 0 HG1 THR A 25 11.607 22.937 3.262 1.00 1.00 H new ATOM 0 HG21 THR A 25 12.717 25.911 4.915 1.00 1.00 H new ATOM 0 HG22 THR A 25 13.842 26.292 3.590 1.00 1.00 H new ATOM 0 HG23 THR A 25 12.091 26.230 3.280 1.00 1.00 H new ATOM 419 N LEU A 26 14.560 22.226 1.003 1.00 1.00 N ATOM 420 CA LEU A 26 14.828 20.852 0.612 1.00 1.00 C ATOM 421 C LEU A 26 14.524 19.923 1.788 1.00 1.00 C ATOM 422 O LEU A 26 13.956 18.845 1.557 1.00 1.00 O ATOM 423 CB LEU A 26 16.254 20.717 0.074 1.00 1.00 C ATOM 424 CG LEU A 26 16.975 19.409 0.405 1.00 1.00 C ATOM 425 CD1 LEU A 26 16.332 18.229 -0.326 1.00 1.00 C ATOM 426 CD2 LEU A 26 18.472 19.518 0.111 1.00 1.00 C ATOM 0 H LEU A 26 15.279 22.891 0.717 1.00 1.00 H new ATOM 0 HA LEU A 26 14.173 20.554 -0.207 1.00 1.00 H new ATOM 0 HB2 LEU A 26 16.224 20.828 -1.010 1.00 1.00 H new ATOM 0 HB3 LEU A 26 16.848 21.544 0.463 1.00 1.00 H new ATOM 0 HG LEU A 26 16.870 19.222 1.474 1.00 1.00 H new ATOM 0 HD11 LEU A 26 16.863 17.311 -0.074 1.00 1.00 H new ATOM 0 HD12 LEU A 26 15.289 18.139 -0.024 1.00 1.00 H new ATOM 0 HD13 LEU A 26 16.385 18.395 -1.402 1.00 1.00 H new ATOM 0 HD21 LEU A 26 18.960 18.575 0.355 1.00 1.00 H new ATOM 0 HD22 LEU A 26 18.620 19.740 -0.946 1.00 1.00 H new ATOM 0 HD23 LEU A 26 18.904 20.317 0.714 1.00 1.00 H new ATOM 438 N SER A 27 14.902 20.350 3.007 1.00 1.00 N ATOM 439 CA SER A 27 14.672 19.561 4.205 1.00 1.00 C ATOM 440 C SER A 27 13.172 19.299 4.356 1.00 1.00 C ATOM 441 O SER A 27 12.806 18.183 4.754 1.00 1.00 O ATOM 442 CB SER A 27 15.216 20.263 5.451 1.00 1.00 C ATOM 443 OG SER A 27 14.654 21.561 5.621 1.00 1.00 O ATOM 0 H SER A 27 15.368 21.241 3.176 1.00 1.00 H new ATOM 0 HA SER A 27 15.203 18.615 4.104 1.00 1.00 H new ATOM 0 HB2 SER A 27 15.001 19.657 6.331 1.00 1.00 H new ATOM 0 HB3 SER A 27 16.300 20.344 5.377 1.00 1.00 H new ATOM 0 HG SER A 27 15.025 21.975 6.428 1.00 1.00 H new ATOM 449 N GLY A 28 12.348 20.314 4.043 1.00 1.00 N ATOM 450 CA GLY A 28 10.903 20.193 4.143 1.00 1.00 C ATOM 451 C GLY A 28 10.369 19.467 2.907 1.00 1.00 C ATOM 452 O GLY A 28 9.358 18.760 3.029 1.00 1.00 O ATOM 0 H GLY A 28 12.670 21.226 3.719 1.00 1.00 H new ATOM 0 HA2 GLY A 28 10.634 19.644 5.046 1.00 1.00 H new ATOM 0 HA3 GLY A 28 10.449 21.181 4.223 1.00 1.00 H new ATOM 456 N ILE A 29 11.047 19.652 1.760 1.00 1.00 N ATOM 457 CA ILE A 29 10.644 19.018 0.516 1.00 1.00 C ATOM 458 C ILE A 29 10.671 17.498 0.690 1.00 1.00 C ATOM 459 O ILE A 29 9.626 16.863 0.489 1.00 1.00 O ATOM 460 CB ILE A 29 11.505 19.520 -0.645 1.00 1.00 C ATOM 461 CG1 ILE A 29 10.944 20.821 -1.222 1.00 1.00 C ATOM 462 CG2 ILE A 29 11.665 18.439 -1.716 1.00 1.00 C ATOM 463 CD1 ILE A 29 9.630 20.569 -1.964 1.00 1.00 C ATOM 0 H ILE A 29 11.877 20.239 1.681 1.00 1.00 H new ATOM 0 HA ILE A 29 9.619 19.292 0.264 1.00 1.00 H new ATOM 0 HB ILE A 29 12.501 19.742 -0.261 1.00 1.00 H new ATOM 0 HG12 ILE A 29 10.780 21.539 -0.418 1.00 1.00 H new ATOM 0 HG13 ILE A 29 11.671 21.265 -1.902 1.00 1.00 H new ATOM 0 HG21 ILE A 29 12.281 18.821 -2.530 1.00 1.00 H new ATOM 0 HG22 ILE A 29 12.144 17.562 -1.280 1.00 1.00 H new ATOM 0 HG23 ILE A 29 10.684 18.162 -2.103 1.00 1.00 H new ATOM 0 HD11 ILE A 29 9.252 21.510 -2.365 1.00 1.00 H new ATOM 0 HD12 ILE A 29 9.802 19.870 -2.782 1.00 1.00 H new ATOM 0 HD13 ILE A 29 8.898 20.148 -1.275 1.00 1.00 H new ATOM 475 N CYS A 30 11.846 16.955 1.055 1.00 1.00 N ATOM 476 CA CYS A 30 12.004 15.524 1.253 1.00 1.00 C ATOM 477 C CYS A 30 11.001 15.046 2.305 1.00 1.00 C ATOM 478 O CYS A 30 10.391 13.987 2.099 1.00 1.00 O ATOM 479 CB CYS A 30 13.444 15.176 1.637 1.00 1.00 C ATOM 480 SG CYS A 30 13.786 13.397 1.777 1.00 1.00 S ATOM 0 H CYS A 30 12.695 17.497 1.216 1.00 1.00 H new ATOM 0 HA CYS A 30 11.798 15.005 0.317 1.00 1.00 H new ATOM 0 HB2 CYS A 30 14.117 15.604 0.894 1.00 1.00 H new ATOM 0 HB3 CYS A 30 13.677 15.653 2.589 1.00 1.00 H new ATOM 0 HG CYS A 30 15.032 13.219 2.104 1.00 1.00 H new ATOM 486 N GLU A 31 10.853 15.822 3.394 1.00 1.00 N ATOM 487 CA GLU A 31 9.933 15.479 4.464 1.00 1.00 C ATOM 488 C GLU A 31 8.496 15.588 3.951 1.00 1.00 C ATOM 489 O GLU A 31 7.650 14.798 4.394 1.00 1.00 O ATOM 490 CB GLU A 31 10.145 16.367 5.693 1.00 1.00 C ATOM 491 CG GLU A 31 9.157 16.009 6.805 1.00 1.00 C ATOM 492 CD GLU A 31 8.628 17.268 7.495 1.00 1.00 C ATOM 493 OE1 GLU A 31 9.530 18.005 8.049 1.00 1.00 O ATOM 494 OE2 GLU A 31 7.413 17.512 7.493 1.00 1.00 O ATOM 0 H GLU A 31 11.366 16.691 3.545 1.00 1.00 H new ATOM 0 HA GLU A 31 10.127 14.453 4.776 1.00 1.00 H new ATOM 0 HB2 GLU A 31 11.166 16.252 6.058 1.00 1.00 H new ATOM 0 HB3 GLU A 31 10.022 17.414 5.415 1.00 1.00 H new ATOM 0 HG2 GLU A 31 8.325 15.442 6.388 1.00 1.00 H new ATOM 0 HG3 GLU A 31 9.646 15.367 7.538 1.00 1.00 H new ATOM 501 N PHE A 32 8.253 16.549 3.041 1.00 1.00 N ATOM 502 CA PHE A 32 6.931 16.755 2.475 1.00 1.00 C ATOM 503 C PHE A 32 6.535 15.528 1.652 1.00 1.00 C ATOM 504 O PHE A 32 5.400 15.054 1.808 1.00 1.00 O ATOM 505 CB PHE A 32 6.947 18.021 1.595 1.00 1.00 C ATOM 506 CG PHE A 32 5.878 18.056 0.512 1.00 1.00 C ATOM 507 CD1 PHE A 32 4.560 18.467 0.821 1.00 1.00 C ATOM 508 CD2 PHE A 32 6.196 17.669 -0.810 1.00 1.00 C ATOM 509 CE1 PHE A 32 3.571 18.494 -0.185 1.00 1.00 C ATOM 510 CE2 PHE A 32 5.206 17.696 -1.816 1.00 1.00 C ATOM 511 CZ PHE A 32 3.894 18.109 -1.503 1.00 1.00 C ATOM 0 H PHE A 32 8.964 17.190 2.689 1.00 1.00 H new ATOM 0 HA PHE A 32 6.199 16.891 3.271 1.00 1.00 H new ATOM 0 HB2 PHE A 32 6.824 18.894 2.236 1.00 1.00 H new ATOM 0 HB3 PHE A 32 7.926 18.107 1.123 1.00 1.00 H new ATOM 0 HD1 PHE A 32 4.310 18.761 1.830 1.00 1.00 H new ATOM 0 HD2 PHE A 32 7.200 17.352 -1.051 1.00 1.00 H new ATOM 0 HE1 PHE A 32 2.566 18.810 0.054 1.00 1.00 H new ATOM 0 HE2 PHE A 32 5.453 17.401 -2.825 1.00 1.00 H new ATOM 0 HZ PHE A 32 3.137 18.130 -2.273 1.00 1.00 H new ATOM 521 N ILE A 33 7.463 15.045 0.806 1.00 1.00 N ATOM 522 CA ILE A 33 7.213 13.884 -0.031 1.00 1.00 C ATOM 523 C ILE A 33 6.979 12.661 0.857 1.00 1.00 C ATOM 524 O ILE A 33 5.996 11.943 0.626 1.00 1.00 O ATOM 525 CB ILE A 33 8.344 13.701 -1.045 1.00 1.00 C ATOM 526 CG1 ILE A 33 8.518 14.955 -1.904 1.00 1.00 C ATOM 527 CG2 ILE A 33 8.120 12.450 -1.896 1.00 1.00 C ATOM 528 CD1 ILE A 33 7.196 15.357 -2.562 1.00 1.00 C ATOM 0 H ILE A 33 8.392 15.451 0.692 1.00 1.00 H new ATOM 0 HA ILE A 33 6.308 14.028 -0.621 1.00 1.00 H new ATOM 0 HB ILE A 33 9.274 13.555 -0.496 1.00 1.00 H new ATOM 0 HG12 ILE A 33 8.885 15.775 -1.287 1.00 1.00 H new ATOM 0 HG13 ILE A 33 9.270 14.773 -2.672 1.00 1.00 H new ATOM 0 HG21 ILE A 33 8.938 12.343 -2.608 1.00 1.00 H new ATOM 0 HG22 ILE A 33 8.084 11.572 -1.250 1.00 1.00 H new ATOM 0 HG23 ILE A 33 7.178 12.541 -2.436 1.00 1.00 H new ATOM 0 HD11 ILE A 33 7.348 16.251 -3.167 1.00 1.00 H new ATOM 0 HD12 ILE A 33 6.844 14.544 -3.198 1.00 1.00 H new ATOM 0 HD13 ILE A 33 6.453 15.562 -1.791 1.00 1.00 H new ATOM 540 N SER A 34 7.873 12.451 1.840 1.00 1.00 N ATOM 541 CA SER A 34 7.765 11.325 2.752 1.00 1.00 C ATOM 542 C SER A 34 6.485 11.465 3.579 1.00 1.00 C ATOM 543 O SER A 34 5.978 10.441 4.059 1.00 1.00 O ATOM 544 CB SER A 34 8.983 11.230 3.672 1.00 1.00 C ATOM 545 OG SER A 34 9.836 10.144 3.319 1.00 1.00 O ATOM 0 H SER A 34 8.676 13.055 2.014 1.00 1.00 H new ATOM 0 HA SER A 34 7.726 10.407 2.165 1.00 1.00 H new ATOM 0 HB2 SER A 34 9.546 12.162 3.626 1.00 1.00 H new ATOM 0 HB3 SER A 34 8.650 11.109 4.703 1.00 1.00 H new ATOM 0 HG SER A 34 9.656 9.382 3.908 1.00 1.00 H new ATOM 551 N ASN A 35 5.997 12.710 3.726 1.00 1.00 N ATOM 552 CA ASN A 35 4.788 12.978 4.487 1.00 1.00 C ATOM 553 C ASN A 35 3.586 12.377 3.756 1.00 1.00 C ATOM 554 O ASN A 35 2.703 11.823 4.427 1.00 1.00 O ATOM 555 CB ASN A 35 4.550 14.482 4.631 1.00 1.00 C ATOM 556 CG ASN A 35 4.657 14.916 6.095 1.00 1.00 C ATOM 557 OD1 ASN A 35 4.917 14.125 6.986 1.00 1.00 O ATOM 558 ND2 ASN A 35 4.441 16.214 6.291 1.00 1.00 N ATOM 0 H ASN A 35 6.431 13.540 3.322 1.00 1.00 H new ATOM 0 HA ASN A 35 4.907 12.535 5.476 1.00 1.00 H new ATOM 0 HB2 ASN A 35 5.278 15.028 4.032 1.00 1.00 H new ATOM 0 HB3 ASN A 35 3.563 14.737 4.244 1.00 1.00 H new ATOM 0 HD21 ASN A 35 4.489 16.602 7.233 1.00 1.00 H new ATOM 0 HD22 ASN A 35 4.228 16.821 5.499 1.00 1.00 H new ATOM 565 N ARG A 36 3.576 12.496 2.416 1.00 1.00 N ATOM 566 CA ARG A 36 2.492 11.969 1.605 1.00 1.00 C ATOM 567 C ARG A 36 2.831 10.540 1.174 1.00 1.00 C ATOM 568 O ARG A 36 1.958 9.668 1.285 1.00 1.00 O ATOM 569 CB ARG A 36 2.250 12.825 0.360 1.00 1.00 C ATOM 570 CG ARG A 36 1.827 14.244 0.745 1.00 1.00 C ATOM 571 CD ARG A 36 0.357 14.282 1.167 1.00 1.00 C ATOM 572 NE ARG A 36 0.161 15.294 2.229 1.00 1.00 N ATOM 573 CZ ARG A 36 -0.915 15.338 3.043 1.00 1.00 C ATOM 574 NH1 ARG A 36 -1.878 14.418 2.898 1.00 1.00 N ATOM 575 NH2 ARG A 36 -1.019 16.288 3.983 1.00 1.00 N ATOM 0 H ARG A 36 4.314 12.956 1.882 1.00 1.00 H new ATOM 0 HA ARG A 36 1.584 11.982 2.208 1.00 1.00 H new ATOM 0 HB2 ARG A 36 3.158 12.863 -0.242 1.00 1.00 H new ATOM 0 HB3 ARG A 36 1.477 12.366 -0.257 1.00 1.00 H new ATOM 0 HG2 ARG A 36 2.453 14.605 1.561 1.00 1.00 H new ATOM 0 HG3 ARG A 36 1.984 14.916 -0.099 1.00 1.00 H new ATOM 0 HD2 ARG A 36 -0.271 14.518 0.308 1.00 1.00 H new ATOM 0 HD3 ARG A 36 0.048 13.301 1.527 1.00 1.00 H new ATOM 0 HE ARG A 36 0.884 16.002 2.354 1.00 1.00 H new ATOM 0 HH11 ARG A 36 -1.792 13.698 2.181 1.00 1.00 H new ATOM 0 HH12 ARG A 36 -2.697 14.437 3.505 1.00 1.00 H new ATOM 0 HH21 ARG A 36 -0.282 16.985 4.087 1.00 1.00 H new ATOM 0 HH22 ARG A 36 -1.835 16.314 4.594 1.00 1.00 H new ATOM 589 N PHE A 37 4.072 10.333 0.699 1.00 1.00 N ATOM 590 CA PHE A 37 4.519 9.023 0.257 1.00 1.00 C ATOM 591 C PHE A 37 5.763 8.619 1.051 1.00 1.00 C ATOM 592 O PHE A 37 6.873 8.746 0.512 1.00 1.00 O ATOM 593 CB PHE A 37 4.826 9.074 -1.253 1.00 1.00 C ATOM 594 CG PHE A 37 3.897 9.971 -2.060 1.00 1.00 C ATOM 595 CD1 PHE A 37 2.618 9.504 -2.444 1.00 1.00 C ATOM 596 CD2 PHE A 37 4.302 11.276 -2.424 1.00 1.00 C ATOM 597 CE1 PHE A 37 1.754 10.335 -3.188 1.00 1.00 C ATOM 598 CE2 PHE A 37 3.436 12.106 -3.168 1.00 1.00 C ATOM 599 CZ PHE A 37 2.162 11.635 -3.551 1.00 1.00 C ATOM 0 H PHE A 37 4.777 11.066 0.616 1.00 1.00 H new ATOM 0 HA PHE A 37 3.739 8.281 0.430 1.00 1.00 H new ATOM 0 HB2 PHE A 37 5.851 9.418 -1.390 1.00 1.00 H new ATOM 0 HB3 PHE A 37 4.773 8.062 -1.655 1.00 1.00 H new ATOM 0 HD1 PHE A 37 2.302 8.509 -2.167 1.00 1.00 H new ATOM 0 HD2 PHE A 37 5.276 11.639 -2.132 1.00 1.00 H new ATOM 0 HE1 PHE A 37 0.779 9.975 -3.480 1.00 1.00 H new ATOM 0 HE2 PHE A 37 3.749 13.102 -3.444 1.00 1.00 H new ATOM 0 HZ PHE A 37 1.500 12.270 -4.122 1.00 1.00 H new ATOM 609 N PRO A 38 5.558 8.149 2.294 1.00 1.00 N ATOM 610 CA PRO A 38 6.629 7.722 3.177 1.00 1.00 C ATOM 611 C PRO A 38 7.185 6.363 2.749 1.00 1.00 C ATOM 612 O PRO A 38 8.395 6.144 2.906 1.00 1.00 O ATOM 613 CB PRO A 38 6.010 7.700 4.565 1.00 1.00 C ATOM 614 CG PRO A 38 4.505 7.663 4.350 1.00 1.00 C ATOM 615 CD PRO A 38 4.234 8.014 2.896 1.00 1.00 C ATOM 0 HA PRO A 38 7.488 8.392 3.149 1.00 1.00 H new ATOM 0 HB2 PRO A 38 6.346 6.829 5.128 1.00 1.00 H new ATOM 0 HB3 PRO A 38 6.301 8.581 5.137 1.00 1.00 H new ATOM 0 HG2 PRO A 38 4.110 6.674 4.584 1.00 1.00 H new ATOM 0 HG3 PRO A 38 4.007 8.371 5.013 1.00 1.00 H new ATOM 0 HD2 PRO A 38 3.652 7.235 2.403 1.00 1.00 H new ATOM 0 HD3 PRO A 38 3.664 8.939 2.812 1.00 1.00 H new ATOM 623 N TYR A 39 6.305 5.491 2.224 1.00 1.00 N ATOM 624 CA TYR A 39 6.769 4.180 1.802 1.00 1.00 C ATOM 625 C TYR A 39 7.671 4.334 0.576 1.00 1.00 C ATOM 626 O TYR A 39 8.576 3.503 0.411 1.00 1.00 O ATOM 627 CB TYR A 39 5.568 3.260 1.517 1.00 1.00 C ATOM 628 CG TYR A 39 5.786 1.802 1.894 1.00 1.00 C ATOM 629 CD1 TYR A 39 6.961 1.126 1.490 1.00 1.00 C ATOM 630 CD2 TYR A 39 4.809 1.112 2.648 1.00 1.00 C ATOM 631 CE1 TYR A 39 7.157 -0.227 1.839 1.00 1.00 C ATOM 632 CE2 TYR A 39 5.005 -0.241 2.997 1.00 1.00 C ATOM 633 CZ TYR A 39 6.180 -0.912 2.594 1.00 1.00 C ATOM 634 OH TYR A 39 6.367 -2.221 2.936 1.00 1.00 O ATOM 0 H TYR A 39 5.310 5.669 2.090 1.00 1.00 H new ATOM 0 HA TYR A 39 7.352 3.717 2.598 1.00 1.00 H new ATOM 0 HB2 TYR A 39 4.701 3.637 2.060 1.00 1.00 H new ATOM 0 HB3 TYR A 39 5.328 3.316 0.455 1.00 1.00 H new ATOM 0 HD1 TYR A 39 7.710 1.647 0.913 1.00 1.00 H new ATOM 0 HD2 TYR A 39 3.909 1.623 2.958 1.00 1.00 H new ATOM 0 HE1 TYR A 39 8.055 -0.739 1.528 1.00 1.00 H new ATOM 0 HE2 TYR A 39 4.256 -0.764 3.573 1.00 1.00 H new ATOM 0 HH TYR A 39 5.598 -2.536 3.456 1.00 1.00 H new ATOM 644 N TYR A 40 7.412 5.366 -0.248 1.00 1.00 N ATOM 645 CA TYR A 40 8.229 5.551 -1.435 1.00 1.00 C ATOM 646 C TYR A 40 9.666 5.866 -1.015 1.00 1.00 C ATOM 647 O TYR A 40 10.584 5.250 -1.575 1.00 1.00 O ATOM 648 CB TYR A 40 7.633 6.661 -2.319 1.00 1.00 C ATOM 649 CG TYR A 40 7.823 6.448 -3.815 1.00 1.00 C ATOM 650 CD1 TYR A 40 9.125 6.403 -4.363 1.00 1.00 C ATOM 651 CD2 TYR A 40 6.703 6.287 -4.663 1.00 1.00 C ATOM 652 CE1 TYR A 40 9.307 6.201 -5.747 1.00 1.00 C ATOM 653 CE2 TYR A 40 6.884 6.086 -6.047 1.00 1.00 C ATOM 654 CZ TYR A 40 8.187 6.043 -6.591 1.00 1.00 C ATOM 655 OH TYR A 40 8.366 5.850 -7.932 1.00 1.00 O ATOM 0 H TYR A 40 6.671 6.054 -0.113 1.00 1.00 H new ATOM 0 HA TYR A 40 8.241 4.636 -2.027 1.00 1.00 H new ATOM 0 HB2 TYR A 40 6.566 6.742 -2.109 1.00 1.00 H new ATOM 0 HB3 TYR A 40 8.086 7.612 -2.040 1.00 1.00 H new ATOM 0 HD1 TYR A 40 9.984 6.524 -3.719 1.00 1.00 H new ATOM 0 HD2 TYR A 40 5.706 6.318 -4.249 1.00 1.00 H new ATOM 0 HE1 TYR A 40 10.304 6.167 -6.161 1.00 1.00 H new ATOM 0 HE2 TYR A 40 6.026 5.965 -6.691 1.00 1.00 H new ATOM 0 HH TYR A 40 7.493 5.758 -8.369 1.00 1.00 H new ATOM 665 N ARG A 41 9.833 6.805 -0.066 1.00 1.00 N ATOM 666 CA ARG A 41 11.150 7.196 0.407 1.00 1.00 C ATOM 667 C ARG A 41 11.670 6.140 1.384 1.00 1.00 C ATOM 668 O ARG A 41 12.860 5.801 1.307 1.00 1.00 O ATOM 669 CB ARG A 41 11.116 8.556 1.106 1.00 1.00 C ATOM 670 CG ARG A 41 12.529 9.023 1.465 1.00 1.00 C ATOM 671 CD ARG A 41 12.908 8.584 2.881 1.00 1.00 C ATOM 672 NE ARG A 41 12.442 9.586 3.864 1.00 1.00 N ATOM 673 CZ ARG A 41 13.091 10.738 4.137 1.00 1.00 C ATOM 674 NH1 ARG A 41 14.232 11.010 3.488 1.00 1.00 N ATOM 675 NH2 ARG A 41 12.603 11.596 5.043 1.00 1.00 N ATOM 0 H ARG A 41 9.063 7.301 0.382 1.00 1.00 H new ATOM 0 HA ARG A 41 11.810 7.275 -0.457 1.00 1.00 H new ATOM 0 HB2 ARG A 41 10.640 9.291 0.457 1.00 1.00 H new ATOM 0 HB3 ARG A 41 10.510 8.489 2.010 1.00 1.00 H new ATOM 0 HG2 ARG A 41 13.243 8.615 0.750 1.00 1.00 H new ATOM 0 HG3 ARG A 41 12.587 10.109 1.389 1.00 1.00 H new ATOM 0 HD2 ARG A 41 12.464 7.613 3.101 1.00 1.00 H new ATOM 0 HD3 ARG A 41 13.989 8.464 2.956 1.00 1.00 H new ATOM 0 HE ARG A 41 11.576 9.395 4.367 1.00 1.00 H new ATOM 0 HH11 ARG A 41 14.597 10.351 2.800 1.00 1.00 H new ATOM 0 HH12 ARG A 41 14.735 11.876 3.682 1.00 1.00 H new ATOM 0 HH21 ARG A 41 11.734 11.381 5.533 1.00 1.00 H new ATOM 0 HH22 ARG A 41 13.100 12.464 5.243 1.00 1.00 H new ATOM 689 N GLU A 42 10.784 5.650 2.269 1.00 1.00 N ATOM 690 CA GLU A 42 11.153 4.643 3.250 1.00 1.00 C ATOM 691 C GLU A 42 11.693 3.407 2.528 1.00 1.00 C ATOM 692 O GLU A 42 12.425 2.629 3.158 1.00 1.00 O ATOM 693 CB GLU A 42 9.971 4.279 4.152 1.00 1.00 C ATOM 694 CG GLU A 42 10.422 3.394 5.315 1.00 1.00 C ATOM 695 CD GLU A 42 10.995 4.238 6.456 1.00 1.00 C ATOM 696 OE1 GLU A 42 10.204 5.151 6.908 1.00 1.00 O ATOM 697 OE2 GLU A 42 12.141 4.017 6.876 1.00 1.00 O ATOM 0 H GLU A 42 9.808 5.943 2.316 1.00 1.00 H new ATOM 0 HA GLU A 42 11.931 5.051 3.895 1.00 1.00 H new ATOM 0 HB2 GLU A 42 9.511 5.188 4.539 1.00 1.00 H new ATOM 0 HB3 GLU A 42 9.210 3.760 3.569 1.00 1.00 H new ATOM 0 HG2 GLU A 42 9.578 2.808 5.679 1.00 1.00 H new ATOM 0 HG3 GLU A 42 11.175 2.686 4.968 1.00 1.00 H new ATOM 704 N LYS A 43 11.328 3.253 1.242 1.00 1.00 N ATOM 705 CA LYS A 43 11.774 2.123 0.446 1.00 1.00 C ATOM 706 C LYS A 43 12.688 2.622 -0.675 1.00 1.00 C ATOM 707 O LYS A 43 13.455 1.812 -1.215 1.00 1.00 O ATOM 708 CB LYS A 43 10.575 1.314 -0.053 1.00 1.00 C ATOM 709 CG LYS A 43 10.834 -0.188 0.077 1.00 1.00 C ATOM 710 CD LYS A 43 11.807 -0.672 -1.000 1.00 1.00 C ATOM 711 CE LYS A 43 11.290 -1.945 -1.674 1.00 1.00 C ATOM 712 NZ LYS A 43 11.487 -3.110 -0.796 1.00 1.00 N ATOM 0 H LYS A 43 10.724 3.905 0.742 1.00 1.00 H new ATOM 0 HA LYS A 43 12.362 1.437 1.055 1.00 1.00 H new ATOM 0 HB2 LYS A 43 9.687 1.584 0.518 1.00 1.00 H new ATOM 0 HB3 LYS A 43 10.372 1.563 -1.095 1.00 1.00 H new ATOM 0 HG2 LYS A 43 11.241 -0.406 1.064 1.00 1.00 H new ATOM 0 HG3 LYS A 43 9.893 -0.732 -0.007 1.00 1.00 H new ATOM 0 HD2 LYS A 43 11.945 0.109 -1.748 1.00 1.00 H new ATOM 0 HD3 LYS A 43 12.783 -0.863 -0.554 1.00 1.00 H new ATOM 0 HE2 LYS A 43 10.231 -1.835 -1.909 1.00 1.00 H new ATOM 0 HE3 LYS A 43 11.812 -2.101 -2.618 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 11.131 -3.965 -1.269 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 12.500 -3.224 -0.592 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 10.969 -2.965 0.094 1.00 1.00 H new ATOM 726 N PHE A 44 12.591 3.924 -0.996 1.00 1.00 N ATOM 727 CA PHE A 44 13.403 4.522 -2.042 1.00 1.00 C ATOM 728 C PHE A 44 14.058 5.798 -1.507 1.00 1.00 C ATOM 729 O PHE A 44 13.710 6.885 -1.989 1.00 1.00 O ATOM 730 CB PHE A 44 12.513 4.834 -3.260 1.00 1.00 C ATOM 731 CG PHE A 44 13.240 4.819 -4.598 1.00 1.00 C ATOM 732 CD1 PHE A 44 14.635 5.048 -4.657 1.00 1.00 C ATOM 733 CD2 PHE A 44 12.521 4.580 -5.792 1.00 1.00 C ATOM 734 CE1 PHE A 44 15.304 5.037 -5.899 1.00 1.00 C ATOM 735 CE2 PHE A 44 13.192 4.569 -7.034 1.00 1.00 C ATOM 736 CZ PHE A 44 14.583 4.798 -7.088 1.00 1.00 C ATOM 0 H PHE A 44 11.953 4.575 -0.538 1.00 1.00 H new ATOM 0 HA PHE A 44 14.187 3.831 -2.350 1.00 1.00 H new ATOM 0 HB2 PHE A 44 11.700 4.108 -3.295 1.00 1.00 H new ATOM 0 HB3 PHE A 44 12.059 5.815 -3.119 1.00 1.00 H new ATOM 0 HD1 PHE A 44 15.189 5.232 -3.749 1.00 1.00 H new ATOM 0 HD2 PHE A 44 11.456 4.405 -5.754 1.00 1.00 H new ATOM 0 HE1 PHE A 44 16.369 5.212 -5.940 1.00 1.00 H new ATOM 0 HE2 PHE A 44 12.640 4.385 -7.944 1.00 1.00 H new ATOM 0 HZ PHE A 44 15.096 4.790 -8.039 1.00 1.00 H new ATOM 746 N PRO A 45 14.976 5.642 -0.536 1.00 1.00 N ATOM 747 CA PRO A 45 15.689 6.749 0.078 1.00 1.00 C ATOM 748 C PRO A 45 16.766 7.296 -0.861 1.00 1.00 C ATOM 749 O PRO A 45 17.340 8.350 -0.549 1.00 1.00 O ATOM 750 CB PRO A 45 16.258 6.182 1.368 1.00 1.00 C ATOM 751 CG PRO A 45 16.240 4.671 1.204 1.00 1.00 C ATOM 752 CD PRO A 45 15.360 4.343 0.009 1.00 1.00 C ATOM 0 HA PRO A 45 15.044 7.603 0.284 1.00 1.00 H new ATOM 0 HB2 PRO A 45 17.272 6.544 1.540 1.00 1.00 H new ATOM 0 HB3 PRO A 45 15.660 6.489 2.226 1.00 1.00 H new ATOM 0 HG2 PRO A 45 17.250 4.292 1.050 1.00 1.00 H new ATOM 0 HG3 PRO A 45 15.854 4.194 2.105 1.00 1.00 H new ATOM 0 HD2 PRO A 45 15.899 3.748 -0.728 1.00 1.00 H new ATOM 0 HD3 PRO A 45 14.486 3.765 0.308 1.00 1.00 H new ATOM 760 N ALA A 46 17.014 6.582 -1.973 1.00 1.00 N ATOM 761 CA ALA A 46 18.012 6.994 -2.945 1.00 1.00 C ATOM 762 C ALA A 46 17.406 8.045 -3.879 1.00 1.00 C ATOM 763 O ALA A 46 18.173 8.747 -4.554 1.00 1.00 O ATOM 764 CB ALA A 46 18.393 5.804 -3.829 1.00 1.00 C ATOM 0 H ALA A 46 16.530 5.716 -2.211 1.00 1.00 H new ATOM 0 HA ALA A 46 18.877 7.383 -2.407 1.00 1.00 H new ATOM 0 HB1 ALA A 46 19.142 6.116 -4.557 1.00 1.00 H new ATOM 0 HB2 ALA A 46 18.801 5.006 -3.209 1.00 1.00 H new ATOM 0 HB3 ALA A 46 17.508 5.441 -4.352 1.00 1.00 H new ATOM 770 N TRP A 47 16.064 8.130 -3.898 1.00 1.00 N ATOM 771 CA TRP A 47 15.365 9.085 -4.740 1.00 1.00 C ATOM 772 C TRP A 47 15.362 10.454 -4.057 1.00 1.00 C ATOM 773 O TRP A 47 14.655 11.351 -4.538 1.00 1.00 O ATOM 774 CB TRP A 47 13.959 8.576 -5.066 1.00 1.00 C ATOM 775 CG TRP A 47 12.908 8.938 -4.015 1.00 1.00 C ATOM 776 CD1 TRP A 47 13.079 9.090 -2.695 1.00 1.00 C ATOM 777 CD2 TRP A 47 11.507 9.189 -4.252 1.00 1.00 C ATOM 778 NE1 TRP A 47 11.895 9.419 -2.066 1.00 1.00 N ATOM 779 CE2 TRP A 47 10.909 9.481 -3.043 1.00 1.00 C ATOM 780 CE3 TRP A 47 10.769 9.170 -5.449 1.00 1.00 C ATOM 781 CZ2 TRP A 47 9.546 9.776 -2.913 1.00 1.00 C ATOM 782 CZ3 TRP A 47 9.408 9.467 -5.302 1.00 1.00 C ATOM 783 CH2 TRP A 47 8.791 9.763 -4.092 1.00 1.00 C ATOM 0 H TRP A 47 15.451 7.542 -3.334 1.00 1.00 H new ATOM 0 HA TRP A 47 15.880 9.197 -5.694 1.00 1.00 H new ATOM 0 HB2 TRP A 47 13.650 8.983 -6.029 1.00 1.00 H new ATOM 0 HB3 TRP A 47 13.992 7.492 -5.174 1.00 1.00 H new ATOM 0 HD1 TRP A 47 14.024 8.970 -2.187 1.00 1.00 H new ATOM 0 HE1 TRP A 47 11.767 9.586 -1.068 1.00 1.00 H new ATOM 0 HE3 TRP A 47 11.216 8.944 -6.406 1.00 1.00 H new ATOM 0 HZ2 TRP A 47 9.101 10.001 -1.955 1.00 1.00 H new ATOM 0 HZ3 TRP A 47 8.795 9.466 -6.191 1.00 1.00 H new ATOM 0 HH2 TRP A 47 7.734 9.982 -4.062 1.00 1.00 H new ATOM 794 N GLN A 48 16.139 10.585 -2.968 1.00 1.00 N ATOM 795 CA GLN A 48 16.225 11.833 -2.228 1.00 1.00 C ATOM 796 C GLN A 48 16.757 12.932 -3.151 1.00 1.00 C ATOM 797 O GLN A 48 16.162 14.019 -3.176 1.00 1.00 O ATOM 798 CB GLN A 48 17.104 11.690 -0.984 1.00 1.00 C ATOM 799 CG GLN A 48 17.513 13.061 -0.441 1.00 1.00 C ATOM 800 CD GLN A 48 18.964 13.383 -0.805 1.00 1.00 C ATOM 801 OE1 GLN A 48 19.280 13.777 -1.916 1.00 1.00 O ATOM 802 NE2 GLN A 48 19.826 13.194 0.190 1.00 1.00 N ATOM 0 H GLN A 48 16.714 9.833 -2.588 1.00 1.00 H new ATOM 0 HA GLN A 48 15.227 12.104 -1.882 1.00 1.00 H new ATOM 0 HB2 GLN A 48 16.565 11.136 -0.215 1.00 1.00 H new ATOM 0 HB3 GLN A 48 17.995 11.111 -1.228 1.00 1.00 H new ATOM 0 HG2 GLN A 48 16.854 13.828 -0.846 1.00 1.00 H new ATOM 0 HG3 GLN A 48 17.394 13.078 0.642 1.00 1.00 H new ATOM 0 HE21 GLN A 48 19.495 12.862 1.096 1.00 1.00 H new ATOM 0 HE22 GLN A 48 20.819 13.381 0.047 1.00 1.00 H new ATOM 811 N ASN A 49 17.847 12.632 -3.878 1.00 1.00 N ATOM 812 CA ASN A 49 18.450 13.588 -4.792 1.00 1.00 C ATOM 813 C ASN A 49 17.671 13.589 -6.109 1.00 1.00 C ATOM 814 O ASN A 49 17.659 14.628 -6.786 1.00 1.00 O ATOM 815 CB ASN A 49 19.901 13.214 -5.102 1.00 1.00 C ATOM 816 CG ASN A 49 20.651 14.395 -5.721 1.00 1.00 C ATOM 817 OD1 ASN A 49 20.299 15.550 -5.544 1.00 1.00 O ATOM 818 ND2 ASN A 49 21.703 14.043 -6.455 1.00 1.00 N ATOM 0 H ASN A 49 18.322 11.730 -3.842 1.00 1.00 H new ATOM 0 HA ASN A 49 18.424 14.570 -4.319 1.00 1.00 H new ATOM 0 HB2 ASN A 49 20.403 12.899 -4.187 1.00 1.00 H new ATOM 0 HB3 ASN A 49 19.924 12.366 -5.786 1.00 1.00 H new ATOM 0 HD21 ASN A 49 22.270 14.759 -6.910 1.00 1.00 H new ATOM 0 HD22 ASN A 49 21.943 13.058 -6.563 1.00 1.00 H new ATOM 825 N SER A 50 17.046 12.445 -6.440 1.00 1.00 N ATOM 826 CA SER A 50 16.273 12.316 -7.664 1.00 1.00 C ATOM 827 C SER A 50 15.237 13.440 -7.728 1.00 1.00 C ATOM 828 O SER A 50 15.086 14.042 -8.802 1.00 1.00 O ATOM 829 CB SER A 50 15.583 10.953 -7.749 1.00 1.00 C ATOM 830 OG SER A 50 15.229 10.617 -9.088 1.00 1.00 O ATOM 0 H SER A 50 17.068 11.601 -5.868 1.00 1.00 H new ATOM 0 HA SER A 50 16.953 12.393 -8.513 1.00 1.00 H new ATOM 0 HB2 SER A 50 16.244 10.186 -7.345 1.00 1.00 H new ATOM 0 HB3 SER A 50 14.687 10.961 -7.128 1.00 1.00 H new ATOM 0 HG SER A 50 14.253 10.580 -9.169 1.00 1.00 H new ATOM 836 N ILE A 51 14.556 13.697 -6.597 1.00 1.00 N ATOM 837 CA ILE A 51 13.546 14.739 -6.527 1.00 1.00 C ATOM 838 C ILE A 51 14.229 16.108 -6.535 1.00 1.00 C ATOM 839 O ILE A 51 13.658 17.049 -7.106 1.00 1.00 O ATOM 840 CB ILE A 51 12.630 14.517 -5.322 1.00 1.00 C ATOM 841 CG1 ILE A 51 13.440 14.421 -4.027 1.00 1.00 C ATOM 842 CG2 ILE A 51 11.736 13.292 -5.530 1.00 1.00 C ATOM 843 CD1 ILE A 51 12.668 15.023 -2.852 1.00 1.00 C ATOM 0 H ILE A 51 14.696 13.190 -5.723 1.00 1.00 H new ATOM 0 HA ILE A 51 12.898 14.700 -7.403 1.00 1.00 H new ATOM 0 HB ILE A 51 11.974 15.383 -5.229 1.00 1.00 H new ATOM 0 HG12 ILE A 51 13.674 13.377 -3.817 1.00 1.00 H new ATOM 0 HG13 ILE A 51 14.390 14.942 -4.148 1.00 1.00 H new ATOM 0 HG21 ILE A 51 11.095 13.157 -4.659 1.00 1.00 H new ATOM 0 HG22 ILE A 51 11.118 13.439 -6.416 1.00 1.00 H new ATOM 0 HG23 ILE A 51 12.357 12.407 -5.664 1.00 1.00 H new ATOM 0 HD11 ILE A 51 13.266 14.942 -1.944 1.00 1.00 H new ATOM 0 HD12 ILE A 51 12.457 16.073 -3.055 1.00 1.00 H new ATOM 0 HD13 ILE A 51 11.730 14.484 -2.718 1.00 1.00 H new ATOM 855 N ARG A 52 15.419 16.191 -5.913 1.00 1.00 N ATOM 856 CA ARG A 52 16.170 17.433 -5.850 1.00 1.00 C ATOM 857 C ARG A 52 16.453 17.926 -7.271 1.00 1.00 C ATOM 858 O ARG A 52 16.193 19.105 -7.549 1.00 1.00 O ATOM 859 CB ARG A 52 17.495 17.254 -5.106 1.00 1.00 C ATOM 860 CG ARG A 52 17.278 17.257 -3.592 1.00 1.00 C ATOM 861 CD ARG A 52 18.593 17.013 -2.849 1.00 1.00 C ATOM 862 NE ARG A 52 18.325 16.374 -1.541 1.00 1.00 N ATOM 863 CZ ARG A 52 19.210 16.334 -0.523 1.00 1.00 C ATOM 864 NH1 ARG A 52 20.413 16.903 -0.684 1.00 1.00 N ATOM 865 NH2 ARG A 52 18.891 15.736 0.633 1.00 1.00 N ATOM 0 H ARG A 52 15.872 15.404 -5.449 1.00 1.00 H new ATOM 0 HA ARG A 52 15.571 18.162 -5.305 1.00 1.00 H new ATOM 0 HB2 ARG A 52 17.962 16.317 -5.408 1.00 1.00 H new ATOM 0 HB3 ARG A 52 18.181 18.055 -5.380 1.00 1.00 H new ATOM 0 HG2 ARG A 52 16.854 18.213 -3.284 1.00 1.00 H new ATOM 0 HG3 ARG A 52 16.556 16.486 -3.323 1.00 1.00 H new ATOM 0 HD2 ARG A 52 19.245 16.377 -3.447 1.00 1.00 H new ATOM 0 HD3 ARG A 52 19.117 17.957 -2.701 1.00 1.00 H new ATOM 0 HE ARG A 52 17.414 15.937 -1.400 1.00 1.00 H new ATOM 0 HH11 ARG A 52 20.648 17.358 -1.566 1.00 1.00 H new ATOM 0 HH12 ARG A 52 21.093 16.881 0.076 1.00 1.00 H new ATOM 0 HH21 ARG A 52 17.973 15.306 0.749 1.00 1.00 H new ATOM 0 HH22 ARG A 52 19.566 15.710 1.397 1.00 1.00 H new ATOM 879 N HIS A 53 16.972 17.027 -8.127 1.00 1.00 N ATOM 880 CA HIS A 53 17.286 17.369 -9.504 1.00 1.00 C ATOM 881 C HIS A 53 16.004 17.786 -10.227 1.00 1.00 C ATOM 882 O HIS A 53 15.940 18.930 -10.701 1.00 1.00 O ATOM 883 CB HIS A 53 18.012 16.217 -10.202 1.00 1.00 C ATOM 884 CG HIS A 53 18.878 16.649 -11.361 1.00 1.00 C ATOM 885 ND1 HIS A 53 19.953 17.509 -11.214 1.00 1.00 N ATOM 886 CD2 HIS A 53 18.819 16.331 -12.686 1.00 1.00 C ATOM 887 CE1 HIS A 53 20.506 17.694 -12.403 1.00 1.00 C ATOM 888 NE2 HIS A 53 19.802 16.963 -13.314 1.00 1.00 N ATOM 0 H HIS A 53 17.179 16.060 -7.878 1.00 1.00 H new ATOM 0 HA HIS A 53 17.972 18.216 -9.526 1.00 1.00 H new ATOM 0 HB2 HIS A 53 18.633 15.697 -9.472 1.00 1.00 H new ATOM 0 HB3 HIS A 53 17.274 15.500 -10.561 1.00 1.00 H new ATOM 0 HD2 HIS A 53 18.094 15.675 -13.146 1.00 1.00 H new ATOM 0 HE1 HIS A 53 21.364 18.315 -12.614 1.00 1.00 H new ATOM 0 HE2 HIS A 53 19.999 16.911 -14.313 1.00 1.00 H new ATOM 896 N ASN A 54 15.025 16.866 -10.296 1.00 1.00 N ATOM 897 CA ASN A 54 13.759 17.137 -10.955 1.00 1.00 C ATOM 898 C ASN A 54 13.119 18.378 -10.330 1.00 1.00 C ATOM 899 O ASN A 54 12.388 19.086 -11.039 1.00 1.00 O ATOM 900 CB ASN A 54 12.788 15.968 -10.785 1.00 1.00 C ATOM 901 CG ASN A 54 11.544 16.156 -11.657 1.00 1.00 C ATOM 902 OD1 ASN A 54 10.419 16.153 -11.186 1.00 1.00 O ATOM 903 ND2 ASN A 54 11.810 16.318 -12.949 1.00 1.00 N ATOM 0 H ASN A 54 15.098 15.929 -9.899 1.00 1.00 H new ATOM 0 HA ASN A 54 13.957 17.289 -12.016 1.00 1.00 H new ATOM 0 HB2 ASN A 54 13.286 15.036 -11.052 1.00 1.00 H new ATOM 0 HB3 ASN A 54 12.494 15.884 -9.739 1.00 1.00 H new ATOM 0 HD21 ASN A 54 11.048 16.450 -13.614 1.00 1.00 H new ATOM 0 HD22 ASN A 54 12.776 16.310 -13.276 1.00 1.00 H new ATOM 910 N LEU A 55 13.400 18.614 -9.036 1.00 1.00 N ATOM 911 CA LEU A 55 12.856 19.758 -8.325 1.00 1.00 C ATOM 912 C LEU A 55 13.460 21.043 -8.897 1.00 1.00 C ATOM 913 O LEU A 55 12.707 22.004 -9.111 1.00 1.00 O ATOM 914 CB LEU A 55 13.062 19.600 -6.817 1.00 1.00 C ATOM 915 CG LEU A 55 12.753 20.833 -5.965 1.00 1.00 C ATOM 916 CD1 LEU A 55 11.251 20.956 -5.704 1.00 1.00 C ATOM 917 CD2 LEU A 55 13.561 20.818 -4.666 1.00 1.00 C ATOM 0 H LEU A 55 14.004 18.018 -8.470 1.00 1.00 H new ATOM 0 HA LEU A 55 11.778 19.819 -8.471 1.00 1.00 H new ATOM 0 HB2 LEU A 55 12.438 18.777 -6.469 1.00 1.00 H new ATOM 0 HB3 LEU A 55 14.098 19.311 -6.640 1.00 1.00 H new ATOM 0 HG LEU A 55 13.057 21.719 -6.523 1.00 1.00 H new ATOM 0 HD11 LEU A 55 11.058 21.840 -5.096 1.00 1.00 H new ATOM 0 HD12 LEU A 55 10.723 21.046 -6.653 1.00 1.00 H new ATOM 0 HD13 LEU A 55 10.900 20.070 -5.176 1.00 1.00 H new ATOM 0 HD21 LEU A 55 13.323 21.705 -4.079 1.00 1.00 H new ATOM 0 HD22 LEU A 55 13.311 19.925 -4.092 1.00 1.00 H new ATOM 0 HD23 LEU A 55 14.626 20.813 -4.900 1.00 1.00 H new ATOM 929 N SER A 56 14.785 21.034 -9.129 1.00 1.00 N ATOM 930 CA SER A 56 15.479 22.189 -9.670 1.00 1.00 C ATOM 931 C SER A 56 15.344 22.192 -11.194 1.00 1.00 C ATOM 932 O SER A 56 15.384 23.280 -11.788 1.00 1.00 O ATOM 933 CB SER A 56 16.956 22.195 -9.268 1.00 1.00 C ATOM 934 OG SER A 56 17.730 21.306 -10.069 1.00 1.00 O ATOM 0 H SER A 56 15.387 20.231 -8.946 1.00 1.00 H new ATOM 0 HA SER A 56 15.024 23.090 -9.258 1.00 1.00 H new ATOM 0 HB2 SER A 56 17.353 23.206 -9.361 1.00 1.00 H new ATOM 0 HB3 SER A 56 17.048 21.912 -8.219 1.00 1.00 H new ATOM 0 HG SER A 56 17.197 20.512 -10.284 1.00 1.00 H new ATOM 940 N LEU A 57 15.190 20.995 -11.788 1.00 1.00 N ATOM 941 CA LEU A 57 15.051 20.862 -13.228 1.00 1.00 C ATOM 942 C LEU A 57 13.598 21.136 -13.623 1.00 1.00 C ATOM 943 O LEU A 57 13.346 21.375 -14.813 1.00 1.00 O ATOM 944 CB LEU A 57 15.567 19.498 -13.692 1.00 1.00 C ATOM 945 CG LEU A 57 16.665 19.523 -14.757 1.00 1.00 C ATOM 946 CD1 LEU A 57 17.985 20.028 -14.171 1.00 1.00 C ATOM 947 CD2 LEU A 57 16.819 18.153 -15.418 1.00 1.00 C ATOM 0 H LEU A 57 15.160 20.110 -11.281 1.00 1.00 H new ATOM 0 HA LEU A 57 15.666 21.602 -13.740 1.00 1.00 H new ATOM 0 HB2 LEU A 57 15.944 18.959 -12.823 1.00 1.00 H new ATOM 0 HB3 LEU A 57 14.724 18.926 -14.081 1.00 1.00 H new ATOM 0 HG LEU A 57 16.369 20.225 -15.537 1.00 1.00 H new ATOM 0 HD11 LEU A 57 18.749 20.036 -14.949 1.00 1.00 H new ATOM 0 HD12 LEU A 57 17.849 21.038 -13.785 1.00 1.00 H new ATOM 0 HD13 LEU A 57 18.299 19.370 -13.361 1.00 1.00 H new ATOM 0 HD21 LEU A 57 17.606 18.199 -16.171 1.00 1.00 H new ATOM 0 HD22 LEU A 57 17.082 17.412 -14.663 1.00 1.00 H new ATOM 0 HD23 LEU A 57 15.879 17.870 -15.892 1.00 1.00 H new ATOM 959 N ASN A 58 12.688 21.099 -12.634 1.00 1.00 N ATOM 960 CA ASN A 58 11.276 21.342 -12.877 1.00 1.00 C ATOM 961 C ASN A 58 11.005 22.847 -12.819 1.00 1.00 C ATOM 962 O ASN A 58 10.845 23.459 -13.885 1.00 1.00 O ATOM 963 CB ASN A 58 10.409 20.664 -11.814 1.00 1.00 C ATOM 964 CG ASN A 58 10.105 19.215 -12.198 1.00 1.00 C ATOM 965 OD1 ASN A 58 10.342 18.777 -13.312 1.00 1.00 O ATOM 966 ND2 ASN A 58 9.568 18.496 -11.216 1.00 1.00 N ATOM 0 H ASN A 58 12.917 20.902 -11.660 1.00 1.00 H new ATOM 0 HA ASN A 58 11.028 20.935 -13.857 1.00 1.00 H new ATOM 0 HB2 ASN A 58 10.921 20.689 -10.852 1.00 1.00 H new ATOM 0 HB3 ASN A 58 9.477 21.216 -11.694 1.00 1.00 H new ATOM 0 HD21 ASN A 58 9.329 17.517 -11.373 1.00 1.00 H new ATOM 0 HD22 ASN A 58 9.395 18.924 -10.306 1.00 1.00 H new ATOM 973 N ASP A 59 10.960 23.404 -11.595 1.00 1.00 N ATOM 974 CA ASP A 59 10.710 24.822 -11.403 1.00 1.00 C ATOM 975 C ASP A 59 11.889 25.623 -11.961 1.00 1.00 C ATOM 976 O ASP A 59 11.672 26.433 -12.874 1.00 1.00 O ATOM 977 CB ASP A 59 10.569 25.161 -9.918 1.00 1.00 C ATOM 978 CG ASP A 59 9.372 24.513 -9.219 1.00 1.00 C ATOM 979 OD1 ASP A 59 9.437 23.353 -8.785 1.00 1.00 O ATOM 980 OD2 ASP A 59 8.325 25.261 -9.125 1.00 1.00 O ATOM 0 H ASP A 59 11.095 22.882 -10.729 1.00 1.00 H new ATOM 0 HA ASP A 59 9.784 25.074 -11.919 1.00 1.00 H new ATOM 0 HB2 ASP A 59 11.480 24.857 -9.403 1.00 1.00 H new ATOM 0 HB3 ASP A 59 10.490 26.243 -9.813 1.00 1.00 H new ATOM 985 N CYS A 60 13.093 25.385 -11.410 1.00 1.00 N ATOM 986 CA CYS A 60 14.291 26.079 -11.849 1.00 1.00 C ATOM 987 C CYS A 60 14.573 27.249 -10.905 1.00 1.00 C ATOM 988 O CYS A 60 15.124 28.259 -11.366 1.00 1.00 O ATOM 989 CB CYS A 60 14.162 26.537 -13.303 1.00 1.00 C ATOM 990 SG CYS A 60 13.593 25.255 -14.458 1.00 1.00 S ATOM 0 H CYS A 60 13.250 24.713 -10.659 1.00 1.00 H new ATOM 0 HA CYS A 60 15.138 25.394 -11.813 1.00 1.00 H new ATOM 0 HB2 CYS A 60 13.469 27.377 -13.344 1.00 1.00 H new ATOM 0 HB3 CYS A 60 15.131 26.906 -13.640 1.00 1.00 H new ATOM 0 HG CYS A 60 12.298 25.159 -14.396 1.00 1.00 H new ATOM 996 N PHE A 61 14.196 27.093 -9.623 1.00 1.00 N ATOM 997 CA PHE A 61 14.407 28.129 -8.627 1.00 1.00 C ATOM 998 C PHE A 61 15.878 28.135 -8.206 1.00 1.00 C ATOM 999 O PHE A 61 16.655 27.350 -8.769 1.00 1.00 O ATOM 1000 CB PHE A 61 13.493 27.862 -7.415 1.00 1.00 C ATOM 1001 CG PHE A 61 12.942 26.445 -7.335 1.00 1.00 C ATOM 1002 CD1 PHE A 61 13.794 25.334 -7.539 1.00 1.00 C ATOM 1003 CD2 PHE A 61 11.571 26.232 -7.063 1.00 1.00 C ATOM 1004 CE1 PHE A 61 13.279 24.022 -7.469 1.00 1.00 C ATOM 1005 CE2 PHE A 61 11.057 24.919 -6.992 1.00 1.00 C ATOM 1006 CZ PHE A 61 11.911 23.815 -7.195 1.00 1.00 C ATOM 0 H PHE A 61 13.743 26.253 -9.264 1.00 1.00 H new ATOM 0 HA PHE A 61 14.160 29.106 -9.043 1.00 1.00 H new ATOM 0 HB2 PHE A 61 14.051 28.073 -6.503 1.00 1.00 H new ATOM 0 HB3 PHE A 61 12.657 28.561 -7.446 1.00 1.00 H new ATOM 0 HD1 PHE A 61 14.842 25.491 -7.749 1.00 1.00 H new ATOM 0 HD2 PHE A 61 10.915 27.076 -6.909 1.00 1.00 H new ATOM 0 HE1 PHE A 61 13.932 23.176 -7.625 1.00 1.00 H new ATOM 0 HE2 PHE A 61 10.010 24.760 -6.782 1.00 1.00 H new ATOM 0 HZ PHE A 61 11.517 22.811 -7.141 1.00 1.00 H new ATOM 1016 N VAL A 62 16.225 29.005 -7.241 1.00 1.00 N ATOM 1017 CA VAL A 62 17.589 29.109 -6.753 1.00 1.00 C ATOM 1018 C VAL A 62 17.655 28.579 -5.319 1.00 1.00 C ATOM 1019 O VAL A 62 16.910 29.087 -4.468 1.00 1.00 O ATOM 1020 CB VAL A 62 18.082 30.552 -6.880 1.00 1.00 C ATOM 1021 CG1 VAL A 62 18.305 30.928 -8.346 1.00 1.00 C ATOM 1022 CG2 VAL A 62 17.112 31.524 -6.206 1.00 1.00 C ATOM 0 H VAL A 62 15.569 29.643 -6.790 1.00 1.00 H new ATOM 0 HA VAL A 62 18.258 28.497 -7.357 1.00 1.00 H new ATOM 0 HB VAL A 62 19.040 30.625 -6.366 1.00 1.00 H new ATOM 0 HG11 VAL A 62 18.655 31.958 -8.408 1.00 1.00 H new ATOM 0 HG12 VAL A 62 19.051 30.264 -8.782 1.00 1.00 H new ATOM 0 HG13 VAL A 62 17.368 30.830 -8.893 1.00 1.00 H new ATOM 0 HG21 VAL A 62 17.486 32.542 -6.311 1.00 1.00 H new ATOM 0 HG22 VAL A 62 16.133 31.447 -6.678 1.00 1.00 H new ATOM 0 HG23 VAL A 62 17.025 31.276 -5.148 1.00 1.00 H new ATOM 1032 N LYS A 63 18.530 27.585 -5.084 1.00 1.00 N ATOM 1033 CA LYS A 63 18.688 26.994 -3.766 1.00 1.00 C ATOM 1034 C LYS A 63 19.886 27.637 -3.064 1.00 1.00 C ATOM 1035 O LYS A 63 20.680 28.303 -3.744 1.00 1.00 O ATOM 1036 CB LYS A 63 18.781 25.470 -3.869 1.00 1.00 C ATOM 1037 CG LYS A 63 20.100 25.045 -4.517 1.00 1.00 C ATOM 1038 CD LYS A 63 20.037 23.588 -4.983 1.00 1.00 C ATOM 1039 CE LYS A 63 20.259 23.486 -6.494 1.00 1.00 C ATOM 1040 NZ LYS A 63 20.630 22.112 -6.868 1.00 1.00 N ATOM 0 H LYS A 63 19.135 27.181 -5.799 1.00 1.00 H new ATOM 0 HA LYS A 63 17.811 27.196 -3.151 1.00 1.00 H new ATOM 0 HB2 LYS A 63 18.701 25.029 -2.875 1.00 1.00 H new ATOM 0 HB3 LYS A 63 17.944 25.090 -4.455 1.00 1.00 H new ATOM 0 HG2 LYS A 63 20.318 25.693 -5.366 1.00 1.00 H new ATOM 0 HG3 LYS A 63 20.916 25.168 -3.805 1.00 1.00 H new ATOM 0 HD2 LYS A 63 20.793 23.002 -4.460 1.00 1.00 H new ATOM 0 HD3 LYS A 63 19.068 23.161 -4.724 1.00 1.00 H new ATOM 0 HE2 LYS A 63 19.352 23.781 -7.022 1.00 1.00 H new ATOM 0 HE3 LYS A 63 21.044 24.177 -6.800 1.00 1.00 H new ATOM 0 HZ1 LYS A 63 20.777 22.060 -7.896 1.00 1.00 H new ATOM 0 HZ2 LYS A 63 21.508 21.844 -6.379 1.00 1.00 H new ATOM 0 HZ3 LYS A 63 19.868 21.460 -6.594 1.00 1.00 H new ATOM 1054 N ILE A 64 19.990 27.429 -1.739 1.00 1.00 N ATOM 1055 CA ILE A 64 21.081 27.985 -0.956 1.00 1.00 C ATOM 1056 C ILE A 64 22.006 26.853 -0.504 1.00 1.00 C ATOM 1057 O ILE A 64 21.739 26.259 0.551 1.00 1.00 O ATOM 1058 CB ILE A 64 20.536 28.831 0.196 1.00 1.00 C ATOM 1059 CG1 ILE A 64 19.600 29.925 -0.322 1.00 1.00 C ATOM 1060 CG2 ILE A 64 21.675 29.404 1.042 1.00 1.00 C ATOM 1061 CD1 ILE A 64 18.771 30.522 0.817 1.00 1.00 C ATOM 0 H ILE A 64 19.325 26.877 -1.198 1.00 1.00 H new ATOM 0 HA ILE A 64 21.680 28.663 -1.564 1.00 1.00 H new ATOM 0 HB ILE A 64 19.946 28.184 0.846 1.00 1.00 H new ATOM 0 HG12 ILE A 64 20.184 30.710 -0.802 1.00 1.00 H new ATOM 0 HG13 ILE A 64 18.936 29.511 -1.081 1.00 1.00 H new ATOM 0 HG21 ILE A 64 21.260 30.001 1.854 1.00 1.00 H new ATOM 0 HG22 ILE A 64 22.266 28.588 1.457 1.00 1.00 H new ATOM 0 HG23 ILE A 64 22.311 30.032 0.418 1.00 1.00 H new ATOM 0 HD11 ILE A 64 18.114 31.297 0.422 1.00 1.00 H new ATOM 0 HD12 ILE A 64 18.170 29.739 1.279 1.00 1.00 H new ATOM 0 HD13 ILE A 64 19.437 30.956 1.563 1.00 1.00 H new ATOM 1073 N PRO A 65 23.059 26.583 -1.297 1.00 1.00 N ATOM 1074 CA PRO A 65 24.031 25.542 -1.012 1.00 1.00 C ATOM 1075 C PRO A 65 24.979 25.970 0.110 1.00 1.00 C ATOM 1076 O PRO A 65 26.048 25.356 0.245 1.00 1.00 O ATOM 1077 CB PRO A 65 24.744 25.297 -2.332 1.00 1.00 C ATOM 1078 CG PRO A 65 24.471 26.524 -3.186 1.00 1.00 C ATOM 1079 CD PRO A 65 23.342 27.305 -2.534 1.00 1.00 C ATOM 0 HA PRO A 65 23.570 24.624 -0.648 1.00 1.00 H new ATOM 0 HB2 PRO A 65 25.814 25.158 -2.178 1.00 1.00 H new ATOM 0 HB3 PRO A 65 24.372 24.394 -2.815 1.00 1.00 H new ATOM 0 HG2 PRO A 65 25.366 27.141 -3.265 1.00 1.00 H new ATOM 0 HG3 PRO A 65 24.196 26.230 -4.199 1.00 1.00 H new ATOM 0 HD2 PRO A 65 23.637 28.335 -2.333 1.00 1.00 H new ATOM 0 HD3 PRO A 65 22.464 27.345 -3.179 1.00 1.00 H new ATOM 1087 N ARG A 66 24.577 26.997 0.879 1.00 1.00 N ATOM 1088 CA ARG A 66 25.386 27.500 1.977 1.00 1.00 C ATOM 1089 C ARG A 66 24.697 28.717 2.597 1.00 1.00 C ATOM 1090 O ARG A 66 25.021 29.845 2.197 1.00 1.00 O ATOM 1091 CB ARG A 66 26.787 27.898 1.510 1.00 1.00 C ATOM 1092 CG ARG A 66 27.785 27.855 2.668 1.00 1.00 C ATOM 1093 CD ARG A 66 29.225 27.918 2.154 1.00 1.00 C ATOM 1094 NE ARG A 66 30.167 27.965 3.294 1.00 1.00 N ATOM 1095 CZ ARG A 66 30.434 29.079 4.010 1.00 1.00 C ATOM 1096 NH1 ARG A 66 29.816 30.223 3.686 1.00 1.00 N ATOM 1097 NH2 ARG A 66 31.302 29.040 5.030 1.00 1.00 N ATOM 0 H ARG A 66 23.693 27.489 0.751 1.00 1.00 H new ATOM 0 HA ARG A 66 25.488 26.703 2.713 1.00 1.00 H new ATOM 0 HB2 ARG A 66 27.115 27.225 0.718 1.00 1.00 H new ATOM 0 HB3 ARG A 66 26.761 28.901 1.085 1.00 1.00 H new ATOM 0 HG2 ARG A 66 27.600 28.690 3.344 1.00 1.00 H new ATOM 0 HG3 ARG A 66 27.640 26.941 3.244 1.00 1.00 H new ATOM 0 HD2 ARG A 66 29.436 27.048 1.532 1.00 1.00 H new ATOM 0 HD3 ARG A 66 29.357 28.799 1.525 1.00 1.00 H new ATOM 0 HE ARG A 66 30.645 27.103 3.556 1.00 1.00 H new ATOM 0 HH11 ARG A 66 29.155 30.243 2.909 1.00 1.00 H new ATOM 0 HH12 ARG A 66 30.006 31.073 4.216 1.00 1.00 H new ATOM 0 HH21 ARG A 66 31.767 28.165 5.271 1.00 1.00 H new ATOM 0 HH22 ARG A 66 31.498 29.886 5.566 1.00 1.00 H new ATOM 1111 N GLU A 67 23.775 28.470 3.545 1.00 1.00 N ATOM 1112 CA GLU A 67 23.049 29.539 4.210 1.00 1.00 C ATOM 1113 C GLU A 67 23.972 30.223 5.221 1.00 1.00 C ATOM 1114 O GLU A 67 24.509 29.526 6.095 1.00 1.00 O ATOM 1115 CB GLU A 67 21.781 29.018 4.890 1.00 1.00 C ATOM 1116 CG GLU A 67 21.301 27.722 4.235 1.00 1.00 C ATOM 1117 CD GLU A 67 21.816 26.499 4.997 1.00 1.00 C ATOM 1118 OE1 GLU A 67 23.033 26.263 5.039 1.00 1.00 O ATOM 1119 OE2 GLU A 67 20.903 25.782 5.559 1.00 1.00 O ATOM 0 H GLU A 67 23.523 27.533 3.860 1.00 1.00 H new ATOM 0 HA GLU A 67 22.732 30.266 3.462 1.00 1.00 H new ATOM 0 HB2 GLU A 67 21.977 28.844 5.948 1.00 1.00 H new ATOM 0 HB3 GLU A 67 20.996 29.772 4.831 1.00 1.00 H new ATOM 0 HG2 GLU A 67 20.211 27.706 4.208 1.00 1.00 H new ATOM 0 HG3 GLU A 67 21.646 27.683 3.202 1.00 1.00 H new ATOM 1204 N GLY A 74 18.496 24.266 6.746 1.00 1.00 N ATOM 1205 CA GLY A 74 17.764 23.828 5.570 1.00 1.00 C ATOM 1206 C GLY A 74 18.223 24.639 4.357 1.00 1.00 C ATOM 1207 O GLY A 74 19.435 24.681 4.100 1.00 1.00 O ATOM 0 HA2 GLY A 74 17.934 22.765 5.397 1.00 1.00 H new ATOM 0 HA3 GLY A 74 16.693 23.958 5.725 1.00 1.00 H new ATOM 1211 N ASN A 75 17.262 25.256 3.646 1.00 1.00 N ATOM 1212 CA ASN A 75 17.567 26.057 2.473 1.00 1.00 C ATOM 1213 C ASN A 75 16.343 26.897 2.102 1.00 1.00 C ATOM 1214 O ASN A 75 15.270 26.661 2.676 1.00 1.00 O ATOM 1215 CB ASN A 75 17.911 25.170 1.275 1.00 1.00 C ATOM 1216 CG ASN A 75 19.237 24.439 1.497 1.00 1.00 C ATOM 1217 OD1 ASN A 75 20.229 25.013 1.914 1.00 1.00 O ATOM 1218 ND2 ASN A 75 19.198 23.145 1.195 1.00 1.00 N ATOM 0 H ASN A 75 16.269 25.208 3.874 1.00 1.00 H new ATOM 0 HA ASN A 75 18.421 26.691 2.710 1.00 1.00 H new ATOM 0 HB2 ASN A 75 17.114 24.444 1.115 1.00 1.00 H new ATOM 0 HB3 ASN A 75 17.974 25.779 0.373 1.00 1.00 H new ATOM 0 HD21 ASN A 75 20.033 22.570 1.308 1.00 1.00 H new ATOM 0 HD22 ASN A 75 18.334 22.728 0.850 1.00 1.00 H new ATOM 1225 N TYR A 76 16.525 27.846 1.166 1.00 1.00 N ATOM 1226 CA TYR A 76 15.403 28.681 0.773 1.00 1.00 C ATOM 1227 C TYR A 76 15.392 28.829 -0.750 1.00 1.00 C ATOM 1228 O TYR A 76 16.039 29.761 -1.249 1.00 1.00 O ATOM 1229 CB TYR A 76 15.486 30.046 1.481 1.00 1.00 C ATOM 1230 CG TYR A 76 15.828 29.970 2.962 1.00 1.00 C ATOM 1231 CD1 TYR A 76 15.127 29.077 3.805 1.00 1.00 C ATOM 1232 CD2 TYR A 76 16.851 30.783 3.503 1.00 1.00 C ATOM 1233 CE1 TYR A 76 15.443 29.000 5.178 1.00 1.00 C ATOM 1234 CE2 TYR A 76 17.167 30.706 4.876 1.00 1.00 C ATOM 1235 CZ TYR A 76 16.462 29.815 5.715 1.00 1.00 C ATOM 1236 OH TYR A 76 16.764 29.738 7.045 1.00 1.00 O ATOM 0 H TYR A 76 17.406 28.041 0.690 1.00 1.00 H new ATOM 0 HA TYR A 76 14.466 28.214 1.076 1.00 1.00 H new ATOM 0 HB2 TYR A 76 16.237 30.656 0.979 1.00 1.00 H new ATOM 0 HB3 TYR A 76 14.531 30.558 1.368 1.00 1.00 H new ATOM 0 HD1 TYR A 76 14.347 28.452 3.396 1.00 1.00 H new ATOM 0 HD2 TYR A 76 17.392 31.465 2.863 1.00 1.00 H new ATOM 0 HE1 TYR A 76 14.905 28.317 5.818 1.00 1.00 H new ATOM 0 HE2 TYR A 76 17.948 31.329 5.286 1.00 1.00 H new ATOM 0 HH TYR A 76 17.489 30.364 7.253 1.00 1.00 H new ATOM 1246 N TRP A 77 14.681 27.924 -1.446 1.00 1.00 N ATOM 1247 CA TRP A 77 14.603 27.956 -2.896 1.00 1.00 C ATOM 1248 C TRP A 77 13.531 28.961 -3.323 1.00 1.00 C ATOM 1249 O TRP A 77 12.421 28.909 -2.772 1.00 1.00 O ATOM 1250 CB TRP A 77 14.357 26.550 -3.445 1.00 1.00 C ATOM 1251 CG TRP A 77 15.352 25.502 -2.943 1.00 1.00 C ATOM 1252 CD1 TRP A 77 15.993 25.471 -1.766 1.00 1.00 C ATOM 1253 CD2 TRP A 77 15.798 24.329 -3.654 1.00 1.00 C ATOM 1254 NE1 TRP A 77 16.816 24.367 -1.667 1.00 1.00 N ATOM 1255 CE2 TRP A 77 16.693 23.650 -2.852 1.00 1.00 C ATOM 1256 CE3 TRP A 77 15.456 23.855 -4.933 1.00 1.00 C ATOM 1257 CZ2 TRP A 77 17.320 22.460 -3.240 1.00 1.00 C ATOM 1258 CZ3 TRP A 77 16.092 22.665 -5.306 1.00 1.00 C ATOM 1259 CH2 TRP A 77 16.995 21.970 -4.510 1.00 1.00 C ATOM 0 H TRP A 77 14.155 27.164 -1.015 1.00 1.00 H new ATOM 0 HA TRP A 77 15.551 28.290 -3.319 1.00 1.00 H new ATOM 0 HB2 TRP A 77 13.348 26.237 -3.175 1.00 1.00 H new ATOM 0 HB3 TRP A 77 14.399 26.584 -4.534 1.00 1.00 H new ATOM 0 HD1 TRP A 77 15.880 26.216 -0.992 1.00 1.00 H new ATOM 0 HE1 TRP A 77 17.406 24.122 -0.871 1.00 1.00 H new ATOM 0 HE3 TRP A 77 14.758 24.369 -5.577 1.00 1.00 H new ATOM 0 HZ2 TRP A 77 18.017 21.947 -2.594 1.00 1.00 H new ATOM 0 HZ3 TRP A 77 15.865 22.258 -6.281 1.00 1.00 H new ATOM 0 HH2 TRP A 77 17.444 21.056 -4.870 1.00 1.00 H new ATOM 1270 N THR A 78 13.876 29.840 -4.280 1.00 1.00 N ATOM 1271 CA THR A 78 12.950 30.845 -4.773 1.00 1.00 C ATOM 1272 C THR A 78 12.721 30.630 -6.271 1.00 1.00 C ATOM 1273 O THR A 78 13.697 30.351 -6.982 1.00 1.00 O ATOM 1274 CB THR A 78 13.505 32.230 -4.437 1.00 1.00 C ATOM 1275 OG1 THR A 78 13.988 32.095 -3.102 1.00 1.00 O ATOM 1276 CG2 THR A 78 12.408 33.291 -4.330 1.00 1.00 C ATOM 0 H THR A 78 14.795 29.865 -4.721 1.00 1.00 H new ATOM 0 HA THR A 78 11.975 30.761 -4.292 1.00 1.00 H new ATOM 0 HB THR A 78 14.224 32.528 -5.200 1.00 1.00 H new ATOM 0 HG1 THR A 78 14.367 32.948 -2.804 1.00 1.00 H new ATOM 0 HG21 THR A 78 12.856 34.255 -4.090 1.00 1.00 H new ATOM 0 HG22 THR A 78 11.878 33.364 -5.280 1.00 1.00 H new ATOM 0 HG23 THR A 78 11.707 33.011 -3.544 1.00 1.00 H new ATOM 1284 N LEU A 79 11.457 30.762 -6.712 1.00 1.00 N ATOM 1285 CA LEU A 79 11.107 30.583 -8.111 1.00 1.00 C ATOM 1286 C LEU A 79 11.666 31.751 -8.925 1.00 1.00 C ATOM 1287 O LEU A 79 11.288 32.898 -8.648 1.00 1.00 O ATOM 1288 CB LEU A 79 9.597 30.393 -8.265 1.00 1.00 C ATOM 1289 CG LEU A 79 9.151 29.426 -9.363 1.00 1.00 C ATOM 1290 CD1 LEU A 79 9.178 27.980 -8.864 1.00 1.00 C ATOM 1291 CD2 LEU A 79 7.778 29.816 -9.914 1.00 1.00 C ATOM 0 H LEU A 79 10.667 30.993 -6.109 1.00 1.00 H new ATOM 0 HA LEU A 79 11.561 29.674 -8.504 1.00 1.00 H new ATOM 0 HB2 LEU A 79 9.196 30.042 -7.314 1.00 1.00 H new ATOM 0 HB3 LEU A 79 9.147 31.366 -8.461 1.00 1.00 H new ATOM 0 HG LEU A 79 9.860 29.496 -10.188 1.00 1.00 H new ATOM 0 HD11 LEU A 79 8.857 27.313 -9.664 1.00 1.00 H new ATOM 0 HD12 LEU A 79 10.192 27.719 -8.559 1.00 1.00 H new ATOM 0 HD13 LEU A 79 8.505 27.876 -8.013 1.00 1.00 H new ATOM 0 HD21 LEU A 79 7.485 29.112 -10.693 1.00 1.00 H new ATOM 0 HD22 LEU A 79 7.043 29.793 -9.109 1.00 1.00 H new ATOM 0 HD23 LEU A 79 7.826 30.821 -10.333 1.00 1.00 H new ATOM 1303 N ASP A 80 12.542 31.442 -9.898 1.00 1.00 N ATOM 1304 CA ASP A 80 13.146 32.459 -10.742 1.00 1.00 C ATOM 1305 C ASP A 80 12.087 33.020 -11.693 1.00 1.00 C ATOM 1306 O ASP A 80 11.934 34.250 -11.745 1.00 1.00 O ATOM 1307 CB ASP A 80 14.278 31.871 -11.588 1.00 1.00 C ATOM 1308 CG ASP A 80 15.643 32.531 -11.390 1.00 1.00 C ATOM 1309 OD1 ASP A 80 15.972 33.001 -10.290 1.00 1.00 O ATOM 1310 OD2 ASP A 80 16.396 32.554 -12.437 1.00 1.00 O ATOM 0 H ASP A 80 12.841 30.490 -10.111 1.00 1.00 H new ATOM 0 HA ASP A 80 13.547 33.240 -10.096 1.00 1.00 H new ATOM 0 HB2 ASP A 80 14.368 30.809 -11.359 1.00 1.00 H new ATOM 0 HB3 ASP A 80 14.003 31.948 -12.640 1.00 1.00 H new