USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 565 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 56 SER OG : rot -169:sc= 0.0365 USER MOD Set 1.2: A 63 LYS NZ :NH3+ -158:sc= -0.116 (180deg=-0.657) USER MOD Single : A 7 SER OG : rot 150:sc= -0.473 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 76:sc= 0.54 USER MOD Single : A 14 MET CE :methyl -160:sc= -6.68! (180deg=-7.29!) USER MOD Single : A 18 GLN : amide:sc= -0.902 K(o=-0.9,f=-4.9!) USER MOD Single : A 19 SER OG : rot -51:sc= 0.707 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 12:sc= 1.03 USER MOD Single : A 27 SER OG : rot -160:sc= -1.13 USER MOD Single : A 30 CYS SG : rot -38:sc= 1.04 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -14! C(o=-14!,f=-21!) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 49 ASN : amide:sc= -0.0111 X(o=-0.011,f=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -0.0228 X(o=-0.023,f=-0.15) USER MOD Single : A 54 ASN :FLIP amide:sc= -2.66! C(o=-4.6!,f=-2.7!) USER MOD Single : A 58 ASN :FLIP amide:sc= -3.77! C(o=-4.6!,f=-3.8!) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -1.52 K(o=-1.5,f=-11!) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 26:sc= 0.187 USER MOD ----------------------------------------------------------------- ATOM 105 N SER A 7 -6.635 -6.208 -10.952 1.00 1.00 N ATOM 106 CA SER A 7 -7.617 -6.167 -12.022 1.00 1.00 C ATOM 107 C SER A 7 -8.508 -4.936 -11.843 1.00 1.00 C ATOM 108 O SER A 7 -9.163 -4.829 -10.795 1.00 1.00 O ATOM 109 CB SER A 7 -8.467 -7.438 -12.052 1.00 1.00 C ATOM 110 OG SER A 7 -9.398 -7.432 -13.131 1.00 1.00 O ATOM 0 HA SER A 7 -7.089 -6.104 -12.974 1.00 1.00 H new ATOM 0 HB2 SER A 7 -7.816 -8.308 -12.140 1.00 1.00 H new ATOM 0 HB3 SER A 7 -9.005 -7.537 -11.109 1.00 1.00 H new ATOM 0 HG SER A 7 -9.565 -8.352 -13.424 1.00 1.00 H new ATOM 116 N TYR A 8 -8.516 -4.046 -12.851 1.00 1.00 N ATOM 117 CA TYR A 8 -9.338 -2.853 -12.741 1.00 1.00 C ATOM 118 C TYR A 8 -10.804 -3.226 -12.970 1.00 1.00 C ATOM 119 O TYR A 8 -11.641 -2.830 -12.146 1.00 1.00 O ATOM 120 CB TYR A 8 -8.856 -1.783 -13.738 1.00 1.00 C ATOM 121 CG TYR A 8 -7.812 -0.826 -13.181 1.00 1.00 C ATOM 122 CD1 TYR A 8 -8.208 0.248 -12.351 1.00 1.00 C ATOM 123 CD2 TYR A 8 -6.442 -1.006 -13.484 1.00 1.00 C ATOM 124 CE1 TYR A 8 -7.243 1.136 -11.830 1.00 1.00 C ATOM 125 CE2 TYR A 8 -5.477 -0.118 -12.963 1.00 1.00 C ATOM 126 CZ TYR A 8 -5.877 0.955 -12.136 1.00 1.00 C ATOM 127 OH TYR A 8 -4.946 1.817 -11.631 1.00 1.00 O ATOM 0 H TYR A 8 -7.981 -4.133 -13.715 1.00 1.00 H new ATOM 0 HA TYR A 8 -9.247 -2.429 -11.741 1.00 1.00 H new ATOM 0 HB2 TYR A 8 -8.443 -2.281 -14.615 1.00 1.00 H new ATOM 0 HB3 TYR A 8 -9.716 -1.205 -14.076 1.00 1.00 H new ATOM 0 HD1 TYR A 8 -9.252 0.389 -12.115 1.00 1.00 H new ATOM 0 HD2 TYR A 8 -6.134 -1.826 -14.116 1.00 1.00 H new ATOM 0 HE1 TYR A 8 -7.550 1.955 -11.196 1.00 1.00 H new ATOM 0 HE2 TYR A 8 -4.432 -0.259 -13.197 1.00 1.00 H new ATOM 0 HH TYR A 8 -4.054 1.551 -11.937 1.00 1.00 H new ATOM 137 N ILE A 9 -11.084 -3.957 -14.064 1.00 1.00 N ATOM 138 CA ILE A 9 -12.439 -4.364 -14.392 1.00 1.00 C ATOM 139 C ILE A 9 -13.026 -5.159 -13.223 1.00 1.00 C ATOM 140 O ILE A 9 -14.212 -4.968 -12.917 1.00 1.00 O ATOM 141 CB ILE A 9 -12.465 -5.119 -15.723 1.00 1.00 C ATOM 142 CG1 ILE A 9 -11.767 -6.475 -15.597 1.00 1.00 C ATOM 143 CG2 ILE A 9 -11.870 -4.269 -16.847 1.00 1.00 C ATOM 144 CD1 ILE A 9 -12.061 -7.357 -16.812 1.00 1.00 C ATOM 0 H ILE A 9 -10.379 -4.273 -14.730 1.00 1.00 H new ATOM 0 HA ILE A 9 -13.074 -3.490 -14.535 1.00 1.00 H new ATOM 0 HB ILE A 9 -13.505 -5.315 -15.985 1.00 1.00 H new ATOM 0 HG12 ILE A 9 -10.691 -6.327 -15.502 1.00 1.00 H new ATOM 0 HG13 ILE A 9 -12.101 -6.977 -14.689 1.00 1.00 H new ATOM 0 HG21 ILE A 9 -11.901 -4.829 -17.782 1.00 1.00 H new ATOM 0 HG22 ILE A 9 -12.448 -3.351 -16.955 1.00 1.00 H new ATOM 0 HG23 ILE A 9 -10.836 -4.020 -16.607 1.00 1.00 H new ATOM 0 HD11 ILE A 9 -11.553 -8.315 -16.698 1.00 1.00 H new ATOM 0 HD12 ILE A 9 -13.136 -7.523 -16.890 1.00 1.00 H new ATOM 0 HD13 ILE A 9 -11.704 -6.863 -17.715 1.00 1.00 H new ATOM 156 N ALA A 10 -12.198 -6.019 -12.604 1.00 1.00 N ATOM 157 CA ALA A 10 -12.632 -6.832 -11.481 1.00 1.00 C ATOM 158 C ALA A 10 -13.227 -5.926 -10.401 1.00 1.00 C ATOM 159 O ALA A 10 -14.244 -6.310 -9.804 1.00 1.00 O ATOM 160 CB ALA A 10 -11.422 -7.520 -10.845 1.00 1.00 C ATOM 0 H ALA A 10 -11.224 -6.161 -12.872 1.00 1.00 H new ATOM 0 HA ALA A 10 -13.358 -7.560 -11.842 1.00 1.00 H new ATOM 0 HB1 ALA A 10 -11.751 -8.129 -10.003 1.00 1.00 H new ATOM 0 HB2 ALA A 10 -10.935 -8.156 -11.584 1.00 1.00 H new ATOM 0 HB3 ALA A 10 -10.717 -6.766 -10.494 1.00 1.00 H new ATOM 166 N LEU A 11 -12.594 -4.762 -10.175 1.00 1.00 N ATOM 167 CA LEU A 11 -13.057 -3.813 -9.177 1.00 1.00 C ATOM 168 C LEU A 11 -14.348 -3.153 -9.668 1.00 1.00 C ATOM 169 O LEU A 11 -15.305 -3.075 -8.884 1.00 1.00 O ATOM 170 CB LEU A 11 -11.950 -2.816 -8.830 1.00 1.00 C ATOM 171 CG LEU A 11 -10.625 -3.421 -8.360 1.00 1.00 C ATOM 172 CD1 LEU A 11 -9.526 -2.359 -8.307 1.00 1.00 C ATOM 173 CD2 LEU A 11 -10.795 -4.138 -7.020 1.00 1.00 C ATOM 0 H LEU A 11 -11.758 -4.465 -10.678 1.00 1.00 H new ATOM 0 HA LEU A 11 -13.295 -4.326 -8.245 1.00 1.00 H new ATOM 0 HB2 LEU A 11 -11.754 -2.201 -9.708 1.00 1.00 H new ATOM 0 HB3 LEU A 11 -12.319 -2.150 -8.050 1.00 1.00 H new ATOM 0 HG LEU A 11 -10.314 -4.170 -9.088 1.00 1.00 H new ATOM 0 HD11 LEU A 11 -8.595 -2.815 -7.970 1.00 1.00 H new ATOM 0 HD12 LEU A 11 -9.383 -1.934 -9.300 1.00 1.00 H new ATOM 0 HD13 LEU A 11 -9.816 -1.570 -7.613 1.00 1.00 H new ATOM 0 HD21 LEU A 11 -9.839 -4.559 -6.709 1.00 1.00 H new ATOM 0 HD22 LEU A 11 -11.141 -3.428 -6.269 1.00 1.00 H new ATOM 0 HD23 LEU A 11 -11.527 -4.939 -7.126 1.00 1.00 H new ATOM 185 N ILE A 12 -14.348 -2.699 -10.934 1.00 1.00 N ATOM 186 CA ILE A 12 -15.510 -2.053 -11.520 1.00 1.00 C ATOM 187 C ILE A 12 -16.685 -3.034 -11.525 1.00 1.00 C ATOM 188 O ILE A 12 -17.812 -2.605 -11.239 1.00 1.00 O ATOM 189 CB ILE A 12 -15.171 -1.492 -12.902 1.00 1.00 C ATOM 190 CG1 ILE A 12 -14.011 -0.498 -12.821 1.00 1.00 C ATOM 191 CG2 ILE A 12 -16.407 -0.879 -13.563 1.00 1.00 C ATOM 192 CD1 ILE A 12 -14.084 0.325 -11.533 1.00 1.00 C ATOM 0 H ILE A 12 -13.548 -2.773 -11.563 1.00 1.00 H new ATOM 0 HA ILE A 12 -15.813 -1.195 -10.919 1.00 1.00 H new ATOM 0 HB ILE A 12 -14.844 -2.317 -13.535 1.00 1.00 H new ATOM 0 HG12 ILE A 12 -13.063 -1.035 -12.860 1.00 1.00 H new ATOM 0 HG13 ILE A 12 -14.036 0.167 -13.684 1.00 1.00 H new ATOM 0 HG21 ILE A 12 -16.138 -0.488 -14.544 1.00 1.00 H new ATOM 0 HG22 ILE A 12 -17.176 -1.643 -13.675 1.00 1.00 H new ATOM 0 HG23 ILE A 12 -16.788 -0.069 -12.941 1.00 1.00 H new ATOM 0 HD11 ILE A 12 -13.248 1.024 -11.500 1.00 1.00 H new ATOM 0 HD12 ILE A 12 -15.022 0.880 -11.508 1.00 1.00 H new ATOM 0 HD13 ILE A 12 -14.034 -0.342 -10.672 1.00 1.00 H new ATOM 204 N THR A 13 -16.403 -4.310 -11.845 1.00 1.00 N ATOM 205 CA THR A 13 -17.429 -5.338 -11.886 1.00 1.00 C ATOM 206 C THR A 13 -18.318 -5.215 -10.646 1.00 1.00 C ATOM 207 O THR A 13 -19.543 -5.342 -10.785 1.00 1.00 O ATOM 208 CB THR A 13 -16.749 -6.702 -12.013 1.00 1.00 C ATOM 209 OG1 THR A 13 -16.402 -6.790 -13.392 1.00 1.00 O ATOM 210 CG2 THR A 13 -17.721 -7.864 -11.798 1.00 1.00 C ATOM 0 H THR A 13 -15.467 -4.643 -12.078 1.00 1.00 H new ATOM 0 HA THR A 13 -18.082 -5.219 -12.751 1.00 1.00 H new ATOM 0 HB THR A 13 -15.936 -6.771 -11.290 1.00 1.00 H new ATOM 0 HG1 THR A 13 -15.620 -6.227 -13.569 1.00 1.00 H new ATOM 0 HG21 THR A 13 -17.187 -8.809 -11.899 1.00 1.00 H new ATOM 0 HG22 THR A 13 -18.153 -7.797 -10.800 1.00 1.00 H new ATOM 0 HG23 THR A 13 -18.516 -7.815 -12.542 1.00 1.00 H new ATOM 218 N MET A 14 -17.694 -4.974 -9.479 1.00 1.00 N ATOM 219 CA MET A 14 -18.423 -4.836 -8.231 1.00 1.00 C ATOM 220 C MET A 14 -19.020 -3.430 -8.146 1.00 1.00 C ATOM 221 O MET A 14 -20.090 -3.279 -7.537 1.00 1.00 O ATOM 222 CB MET A 14 -17.490 -5.067 -7.040 1.00 1.00 C ATOM 223 CG MET A 14 -18.277 -5.506 -5.804 1.00 1.00 C ATOM 224 SD MET A 14 -17.132 -5.992 -4.479 1.00 1.00 S ATOM 225 CE MET A 14 -16.191 -4.449 -4.294 1.00 1.00 C ATOM 0 H MET A 14 -16.683 -4.873 -9.387 1.00 1.00 H new ATOM 0 HA MET A 14 -19.220 -5.579 -8.202 1.00 1.00 H new ATOM 0 HB2 MET A 14 -16.751 -5.827 -7.294 1.00 1.00 H new ATOM 0 HB3 MET A 14 -16.942 -4.151 -6.820 1.00 1.00 H new ATOM 0 HG2 MET A 14 -18.917 -4.693 -5.463 1.00 1.00 H new ATOM 0 HG3 MET A 14 -18.930 -6.341 -6.056 1.00 1.00 H new ATOM 0 HE1 MET A 14 -15.242 -4.658 -3.800 1.00 1.00 H new ATOM 0 HE2 MET A 14 -16.001 -4.019 -5.277 1.00 1.00 H new ATOM 0 HE3 MET A 14 -16.765 -3.743 -3.694 1.00 1.00 H new ATOM 235 N ALA A 15 -18.330 -2.446 -8.748 1.00 1.00 N ATOM 236 CA ALA A 15 -18.789 -1.067 -8.741 1.00 1.00 C ATOM 237 C ALA A 15 -20.111 -0.970 -9.505 1.00 1.00 C ATOM 238 O ALA A 15 -21.033 -0.308 -9.006 1.00 1.00 O ATOM 239 CB ALA A 15 -17.792 -0.188 -9.498 1.00 1.00 C ATOM 0 H ALA A 15 -17.451 -2.592 -9.244 1.00 1.00 H new ATOM 0 HA ALA A 15 -18.896 -0.745 -7.705 1.00 1.00 H new ATOM 0 HB1 ALA A 15 -18.139 0.845 -9.491 1.00 1.00 H new ATOM 0 HB2 ALA A 15 -16.816 -0.246 -9.016 1.00 1.00 H new ATOM 0 HB3 ALA A 15 -17.709 -0.536 -10.528 1.00 1.00 H new ATOM 245 N ILE A 16 -20.177 -1.622 -10.679 1.00 1.00 N ATOM 246 CA ILE A 16 -21.376 -1.609 -11.501 1.00 1.00 C ATOM 247 C ILE A 16 -22.426 -2.530 -10.878 1.00 1.00 C ATOM 248 O ILE A 16 -23.621 -2.212 -10.972 1.00 1.00 O ATOM 249 CB ILE A 16 -21.035 -1.957 -12.951 1.00 1.00 C ATOM 250 CG1 ILE A 16 -21.942 -1.201 -13.924 1.00 1.00 C ATOM 251 CG2 ILE A 16 -21.085 -3.470 -13.178 1.00 1.00 C ATOM 252 CD1 ILE A 16 -23.273 -1.933 -14.114 1.00 1.00 C ATOM 0 H ILE A 16 -19.406 -2.163 -11.071 1.00 1.00 H new ATOM 0 HA ILE A 16 -21.807 -0.608 -11.531 1.00 1.00 H new ATOM 0 HB ILE A 16 -20.012 -1.635 -13.148 1.00 1.00 H new ATOM 0 HG12 ILE A 16 -22.127 -0.195 -13.548 1.00 1.00 H new ATOM 0 HG13 ILE A 16 -21.441 -1.094 -14.886 1.00 1.00 H new ATOM 0 HG21 ILE A 16 -20.839 -3.690 -14.217 1.00 1.00 H new ATOM 0 HG22 ILE A 16 -20.365 -3.960 -12.522 1.00 1.00 H new ATOM 0 HG23 ILE A 16 -22.087 -3.838 -12.957 1.00 1.00 H new ATOM 0 HD11 ILE A 16 -23.899 -1.375 -14.810 1.00 1.00 H new ATOM 0 HD12 ILE A 16 -23.086 -2.930 -14.513 1.00 1.00 H new ATOM 0 HD13 ILE A 16 -23.783 -2.016 -13.154 1.00 1.00 H new ATOM 264 N LEU A 17 -21.969 -3.636 -10.263 1.00 1.00 N ATOM 265 CA LEU A 17 -22.863 -4.592 -9.632 1.00 1.00 C ATOM 266 C LEU A 17 -23.646 -3.893 -8.518 1.00 1.00 C ATOM 267 O LEU A 17 -24.864 -4.106 -8.431 1.00 1.00 O ATOM 268 CB LEU A 17 -22.084 -5.821 -9.158 1.00 1.00 C ATOM 269 CG LEU A 17 -21.787 -6.878 -10.223 1.00 1.00 C ATOM 270 CD1 LEU A 17 -20.627 -7.778 -9.792 1.00 1.00 C ATOM 271 CD2 LEU A 17 -23.043 -7.684 -10.561 1.00 1.00 C ATOM 0 H LEU A 17 -20.981 -3.880 -10.196 1.00 1.00 H new ATOM 0 HA LEU A 17 -23.593 -4.963 -10.351 1.00 1.00 H new ATOM 0 HB2 LEU A 17 -21.138 -5.485 -8.734 1.00 1.00 H new ATOM 0 HB3 LEU A 17 -22.645 -6.294 -8.352 1.00 1.00 H new ATOM 0 HG LEU A 17 -21.478 -6.367 -11.135 1.00 1.00 H new ATOM 0 HD11 LEU A 17 -20.436 -8.521 -10.566 1.00 1.00 H new ATOM 0 HD12 LEU A 17 -19.733 -7.173 -9.641 1.00 1.00 H new ATOM 0 HD13 LEU A 17 -20.885 -8.283 -8.861 1.00 1.00 H new ATOM 0 HD21 LEU A 17 -22.804 -8.428 -11.321 1.00 1.00 H new ATOM 0 HD22 LEU A 17 -23.406 -8.185 -9.664 1.00 1.00 H new ATOM 0 HD23 LEU A 17 -23.814 -7.014 -10.940 1.00 1.00 H new ATOM 283 N GLN A 18 -22.943 -3.086 -7.703 1.00 1.00 N ATOM 284 CA GLN A 18 -23.568 -2.364 -6.608 1.00 1.00 C ATOM 285 C GLN A 18 -24.840 -1.679 -7.114 1.00 1.00 C ATOM 286 O GLN A 18 -25.735 -1.419 -6.296 1.00 1.00 O ATOM 287 CB GLN A 18 -22.610 -1.348 -5.984 1.00 1.00 C ATOM 288 CG GLN A 18 -22.540 -0.072 -6.825 1.00 1.00 C ATOM 289 CD GLN A 18 -23.483 1.000 -6.273 1.00 1.00 C ATOM 290 OE1 GLN A 18 -24.604 1.168 -6.723 1.00 1.00 O ATOM 291 NE2 GLN A 18 -22.966 1.713 -5.277 1.00 1.00 N ATOM 0 H GLN A 18 -21.940 -2.925 -7.792 1.00 1.00 H new ATOM 0 HA GLN A 18 -23.829 -3.076 -5.825 1.00 1.00 H new ATOM 0 HB2 GLN A 18 -22.940 -1.104 -4.974 1.00 1.00 H new ATOM 0 HB3 GLN A 18 -21.616 -1.786 -5.898 1.00 1.00 H new ATOM 0 HG2 GLN A 18 -21.518 0.307 -6.834 1.00 1.00 H new ATOM 0 HG3 GLN A 18 -22.805 -0.298 -7.858 1.00 1.00 H new ATOM 0 HE21 GLN A 18 -22.020 1.519 -4.949 1.00 1.00 H new ATOM 0 HE22 GLN A 18 -23.516 2.454 -4.841 1.00 1.00 H new ATOM 300 N SER A 19 -24.894 -1.406 -8.430 1.00 1.00 N ATOM 301 CA SER A 19 -26.045 -0.758 -9.035 1.00 1.00 C ATOM 302 C SER A 19 -27.217 -1.742 -9.073 1.00 1.00 C ATOM 303 O SER A 19 -27.117 -2.750 -9.787 1.00 1.00 O ATOM 304 CB SER A 19 -25.728 -0.256 -10.445 1.00 1.00 C ATOM 305 OG SER A 19 -25.801 -1.299 -11.412 1.00 1.00 O ATOM 0 H SER A 19 -24.146 -1.629 -9.087 1.00 1.00 H new ATOM 0 HA SER A 19 -26.312 0.109 -8.431 1.00 1.00 H new ATOM 0 HB2 SER A 19 -26.427 0.536 -10.713 1.00 1.00 H new ATOM 0 HB3 SER A 19 -24.730 0.181 -10.458 1.00 1.00 H new ATOM 0 HG SER A 19 -25.265 -2.062 -11.111 1.00 1.00 H new ATOM 311 N PRO A 20 -28.286 -1.435 -8.317 1.00 1.00 N ATOM 312 CA PRO A 20 -29.479 -2.261 -8.241 1.00 1.00 C ATOM 313 C PRO A 20 -30.326 -2.118 -9.507 1.00 1.00 C ATOM 314 O PRO A 20 -31.368 -2.783 -9.597 1.00 1.00 O ATOM 315 CB PRO A 20 -30.201 -1.795 -6.987 1.00 1.00 C ATOM 316 CG PRO A 20 -29.633 -0.422 -6.665 1.00 1.00 C ATOM 317 CD PRO A 20 -28.368 -0.236 -7.487 1.00 1.00 C ATOM 0 HA PRO A 20 -29.251 -3.325 -8.181 1.00 1.00 H new ATOM 0 HB2 PRO A 20 -31.277 -1.744 -7.152 1.00 1.00 H new ATOM 0 HB3 PRO A 20 -30.038 -2.488 -6.162 1.00 1.00 H new ATOM 0 HG2 PRO A 20 -30.359 0.356 -6.900 1.00 1.00 H new ATOM 0 HG3 PRO A 20 -29.412 -0.340 -5.601 1.00 1.00 H new ATOM 0 HD2 PRO A 20 -28.421 0.665 -8.097 1.00 1.00 H new ATOM 0 HD3 PRO A 20 -27.491 -0.136 -6.847 1.00 1.00 H new ATOM 325 N GLN A 21 -29.870 -1.268 -10.444 1.00 1.00 N ATOM 326 CA GLN A 21 -30.581 -1.043 -11.691 1.00 1.00 C ATOM 327 C GLN A 21 -29.571 -0.920 -12.834 1.00 1.00 C ATOM 328 O GLN A 21 -29.337 -1.923 -13.524 1.00 1.00 O ATOM 329 CB GLN A 21 -31.474 0.197 -11.613 1.00 1.00 C ATOM 330 CG GLN A 21 -32.951 -0.183 -11.739 1.00 1.00 C ATOM 331 CD GLN A 21 -33.853 0.991 -11.354 1.00 1.00 C ATOM 332 OE1 GLN A 21 -34.445 1.654 -12.191 1.00 1.00 O ATOM 333 NE2 GLN A 21 -33.926 1.211 -10.045 1.00 1.00 N ATOM 0 H GLN A 21 -29.009 -0.730 -10.350 1.00 1.00 H new ATOM 0 HA GLN A 21 -31.235 -1.894 -11.879 1.00 1.00 H new ATOM 0 HB2 GLN A 21 -31.306 0.711 -10.667 1.00 1.00 H new ATOM 0 HB3 GLN A 21 -31.205 0.894 -12.407 1.00 1.00 H new ATOM 0 HG2 GLN A 21 -33.165 -0.491 -12.763 1.00 1.00 H new ATOM 0 HG3 GLN A 21 -33.166 -1.038 -11.098 1.00 1.00 H new ATOM 0 HE21 GLN A 21 -33.405 0.619 -9.398 1.00 1.00 H new ATOM 0 HE22 GLN A 21 -34.503 1.972 -9.687 1.00 1.00 H new ATOM 342 N LYS A 22 -29.003 0.286 -13.008 1.00 1.00 N ATOM 343 CA LYS A 22 -28.029 0.534 -14.058 1.00 1.00 C ATOM 344 C LYS A 22 -27.578 1.995 -13.995 1.00 1.00 C ATOM 345 O LYS A 22 -27.392 2.601 -15.060 1.00 1.00 O ATOM 346 CB LYS A 22 -28.592 0.122 -15.420 1.00 1.00 C ATOM 347 CG LYS A 22 -29.841 0.936 -15.765 1.00 1.00 C ATOM 348 CD LYS A 22 -30.581 0.325 -16.957 1.00 1.00 C ATOM 349 CE LYS A 22 -31.608 -0.709 -16.493 1.00 1.00 C ATOM 350 NZ LYS A 22 -31.449 -1.966 -17.243 1.00 1.00 N ATOM 0 H LYS A 22 -29.210 1.099 -12.428 1.00 1.00 H new ATOM 0 HA LYS A 22 -27.142 -0.081 -13.907 1.00 1.00 H new ATOM 0 HB2 LYS A 22 -27.834 0.268 -16.190 1.00 1.00 H new ATOM 0 HB3 LYS A 22 -28.837 -0.940 -15.410 1.00 1.00 H new ATOM 0 HG2 LYS A 22 -30.505 0.974 -14.901 1.00 1.00 H new ATOM 0 HG3 LYS A 22 -29.558 1.963 -15.996 1.00 1.00 H new ATOM 0 HD2 LYS A 22 -31.081 1.112 -17.521 1.00 1.00 H new ATOM 0 HD3 LYS A 22 -29.866 -0.145 -17.632 1.00 1.00 H new ATOM 0 HE2 LYS A 22 -31.487 -0.897 -15.426 1.00 1.00 H new ATOM 0 HE3 LYS A 22 -32.616 -0.319 -16.635 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 -32.154 -2.657 -16.916 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 -31.587 -1.785 -18.258 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 -30.493 -2.345 -17.086 1.00 1.00 H new ATOM 364 N LYS A 23 -27.415 2.522 -12.768 1.00 1.00 N ATOM 365 CA LYS A 23 -26.991 3.898 -12.572 1.00 1.00 C ATOM 366 C LYS A 23 -25.844 3.934 -11.561 1.00 1.00 C ATOM 367 O LYS A 23 -26.108 3.755 -10.363 1.00 1.00 O ATOM 368 CB LYS A 23 -28.182 4.775 -12.182 1.00 1.00 C ATOM 369 CG LYS A 23 -29.056 5.086 -13.399 1.00 1.00 C ATOM 370 CD LYS A 23 -30.208 6.021 -13.023 1.00 1.00 C ATOM 371 CE LYS A 23 -31.557 5.407 -13.401 1.00 1.00 C ATOM 372 NZ LYS A 23 -31.940 5.804 -14.766 1.00 1.00 N ATOM 0 H LYS A 23 -27.574 2.005 -11.903 1.00 1.00 H new ATOM 0 HA LYS A 23 -26.609 4.315 -13.504 1.00 1.00 H new ATOM 0 HB2 LYS A 23 -28.777 4.269 -11.422 1.00 1.00 H new ATOM 0 HB3 LYS A 23 -27.824 5.705 -11.740 1.00 1.00 H new ATOM 0 HG2 LYS A 23 -28.449 5.546 -14.179 1.00 1.00 H new ATOM 0 HG3 LYS A 23 -29.455 4.159 -13.811 1.00 1.00 H new ATOM 0 HD2 LYS A 23 -30.183 6.222 -11.952 1.00 1.00 H new ATOM 0 HD3 LYS A 23 -30.085 6.978 -13.530 1.00 1.00 H new ATOM 0 HE2 LYS A 23 -31.500 4.321 -13.334 1.00 1.00 H new ATOM 0 HE3 LYS A 23 -32.321 5.730 -12.694 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 -32.858 5.379 -15.007 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 -32.014 6.840 -14.818 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 -31.219 5.474 -15.439 1.00 1.00 H new ATOM 386 N LEU A 24 -24.613 4.160 -12.054 1.00 1.00 N ATOM 387 CA LEU A 24 -23.440 4.219 -11.199 1.00 1.00 C ATOM 388 C LEU A 24 -23.009 5.677 -11.030 1.00 1.00 C ATOM 389 O LEU A 24 -22.539 6.271 -12.012 1.00 1.00 O ATOM 390 CB LEU A 24 -22.335 3.310 -11.742 1.00 1.00 C ATOM 391 CG LEU A 24 -22.567 1.806 -11.587 1.00 1.00 C ATOM 392 CD1 LEU A 24 -22.655 1.414 -10.111 1.00 1.00 C ATOM 393 CD2 LEU A 24 -23.800 1.357 -12.374 1.00 1.00 C ATOM 0 H LEU A 24 -24.417 4.304 -13.045 1.00 1.00 H new ATOM 0 HA LEU A 24 -23.674 3.839 -10.205 1.00 1.00 H new ATOM 0 HB2 LEU A 24 -22.199 3.529 -12.801 1.00 1.00 H new ATOM 0 HB3 LEU A 24 -21.402 3.567 -11.241 1.00 1.00 H new ATOM 0 HG LEU A 24 -21.708 1.283 -12.008 1.00 1.00 H new ATOM 0 HD11 LEU A 24 -22.820 0.340 -10.029 1.00 1.00 H new ATOM 0 HD12 LEU A 24 -21.724 1.677 -9.608 1.00 1.00 H new ATOM 0 HD13 LEU A 24 -23.483 1.945 -9.642 1.00 1.00 H new ATOM 0 HD21 LEU A 24 -23.942 0.284 -12.247 1.00 1.00 H new ATOM 0 HD22 LEU A 24 -24.679 1.886 -12.006 1.00 1.00 H new ATOM 0 HD23 LEU A 24 -23.658 1.581 -13.431 1.00 1.00 H new ATOM 405 N THR A 25 -23.174 6.216 -9.809 1.00 1.00 N ATOM 406 CA THR A 25 -22.805 7.591 -9.518 1.00 1.00 C ATOM 407 C THR A 25 -21.321 7.649 -9.150 1.00 1.00 C ATOM 408 O THR A 25 -20.976 7.253 -8.027 1.00 1.00 O ATOM 409 CB THR A 25 -23.725 8.122 -8.417 1.00 1.00 C ATOM 410 OG1 THR A 25 -23.392 7.336 -7.277 1.00 1.00 O ATOM 411 CG2 THR A 25 -25.197 7.795 -8.677 1.00 1.00 C ATOM 0 H THR A 25 -23.562 5.709 -9.014 1.00 1.00 H new ATOM 0 HA THR A 25 -22.936 8.234 -10.388 1.00 1.00 H new ATOM 0 HB THR A 25 -23.602 9.202 -8.331 1.00 1.00 H new ATOM 0 HG1 THR A 25 -22.565 6.840 -7.452 1.00 1.00 H new ATOM 0 HG21 THR A 25 -25.807 8.194 -7.867 1.00 1.00 H new ATOM 0 HG22 THR A 25 -25.508 8.244 -9.620 1.00 1.00 H new ATOM 0 HG23 THR A 25 -25.326 6.714 -8.730 1.00 1.00 H new ATOM 419 N LEU A 26 -20.486 8.133 -10.086 1.00 1.00 N ATOM 420 CA LEU A 26 -19.055 8.241 -9.861 1.00 1.00 C ATOM 421 C LEU A 26 -18.804 8.790 -8.455 1.00 1.00 C ATOM 422 O LEU A 26 -17.762 8.459 -7.870 1.00 1.00 O ATOM 423 CB LEU A 26 -18.398 9.066 -10.970 1.00 1.00 C ATOM 424 CG LEU A 26 -16.868 9.072 -10.985 1.00 1.00 C ATOM 425 CD1 LEU A 26 -16.316 10.176 -10.081 1.00 1.00 C ATOM 426 CD2 LEU A 26 -16.310 7.696 -10.615 1.00 1.00 C ATOM 0 H LEU A 26 -20.790 8.454 -11.005 1.00 1.00 H new ATOM 0 HA LEU A 26 -18.587 7.258 -9.908 1.00 1.00 H new ATOM 0 HB2 LEU A 26 -18.749 8.691 -11.931 1.00 1.00 H new ATOM 0 HB3 LEU A 26 -18.745 10.096 -10.883 1.00 1.00 H new ATOM 0 HG LEU A 26 -16.537 9.291 -12.000 1.00 1.00 H new ATOM 0 HD11 LEU A 26 -15.227 10.159 -10.109 1.00 1.00 H new ATOM 0 HD12 LEU A 26 -16.673 11.145 -10.431 1.00 1.00 H new ATOM 0 HD13 LEU A 26 -16.655 10.012 -9.058 1.00 1.00 H new ATOM 0 HD21 LEU A 26 -15.221 7.728 -10.633 1.00 1.00 H new ATOM 0 HD22 LEU A 26 -16.648 7.423 -9.615 1.00 1.00 H new ATOM 0 HD23 LEU A 26 -16.663 6.955 -11.332 1.00 1.00 H new ATOM 438 N SER A 27 -19.747 9.604 -7.950 1.00 1.00 N ATOM 439 CA SER A 27 -19.629 10.191 -6.626 1.00 1.00 C ATOM 440 C SER A 27 -19.949 9.130 -5.571 1.00 1.00 C ATOM 441 O SER A 27 -19.233 9.068 -4.561 1.00 1.00 O ATOM 442 CB SER A 27 -20.555 11.398 -6.464 1.00 1.00 C ATOM 443 OG SER A 27 -20.181 12.477 -7.316 1.00 1.00 O ATOM 0 H SER A 27 -20.598 9.864 -8.449 1.00 1.00 H new ATOM 0 HA SER A 27 -18.606 10.543 -6.494 1.00 1.00 H new ATOM 0 HB2 SER A 27 -21.580 11.100 -6.685 1.00 1.00 H new ATOM 0 HB3 SER A 27 -20.537 11.732 -5.427 1.00 1.00 H new ATOM 0 HG SER A 27 -20.568 13.311 -6.976 1.00 1.00 H new ATOM 449 N GLY A 28 -21.000 8.330 -5.823 1.00 1.00 N ATOM 450 CA GLY A 28 -21.408 7.283 -4.901 1.00 1.00 C ATOM 451 C GLY A 28 -20.501 6.064 -5.087 1.00 1.00 C ATOM 452 O GLY A 28 -20.410 5.250 -4.157 1.00 1.00 O ATOM 0 H GLY A 28 -21.576 8.398 -6.662 1.00 1.00 H new ATOM 0 HA2 GLY A 28 -21.347 7.643 -3.874 1.00 1.00 H new ATOM 0 HA3 GLY A 28 -22.447 7.008 -5.081 1.00 1.00 H new ATOM 456 N ILE A 29 -19.859 5.965 -6.265 1.00 1.00 N ATOM 457 CA ILE A 29 -18.969 4.857 -6.565 1.00 1.00 C ATOM 458 C ILE A 29 -17.659 5.037 -5.797 1.00 1.00 C ATOM 459 O ILE A 29 -17.195 4.063 -5.185 1.00 1.00 O ATOM 460 CB ILE A 29 -18.781 4.716 -8.077 1.00 1.00 C ATOM 461 CG1 ILE A 29 -19.785 3.721 -8.665 1.00 1.00 C ATOM 462 CG2 ILE A 29 -17.337 4.342 -8.418 1.00 1.00 C ATOM 463 CD1 ILE A 29 -21.187 4.329 -8.726 1.00 1.00 C ATOM 0 H ILE A 29 -19.948 6.647 -7.019 1.00 1.00 H new ATOM 0 HA ILE A 29 -19.407 3.916 -6.232 1.00 1.00 H new ATOM 0 HB ILE A 29 -18.980 5.684 -8.537 1.00 1.00 H new ATOM 0 HG12 ILE A 29 -19.468 3.428 -9.666 1.00 1.00 H new ATOM 0 HG13 ILE A 29 -19.803 2.816 -8.058 1.00 1.00 H new ATOM 0 HG21 ILE A 29 -17.231 4.248 -9.499 1.00 1.00 H new ATOM 0 HG22 ILE A 29 -16.664 5.118 -8.053 1.00 1.00 H new ATOM 0 HG23 ILE A 29 -17.086 3.393 -7.945 1.00 1.00 H new ATOM 0 HD11 ILE A 29 -21.881 3.602 -9.147 1.00 1.00 H new ATOM 0 HD12 ILE A 29 -21.511 4.599 -7.721 1.00 1.00 H new ATOM 0 HD13 ILE A 29 -21.170 5.220 -9.353 1.00 1.00 H new ATOM 475 N CYS A 30 -17.097 6.258 -5.842 1.00 1.00 N ATOM 476 CA CYS A 30 -15.853 6.559 -5.155 1.00 1.00 C ATOM 477 C CYS A 30 -16.009 6.244 -3.665 1.00 1.00 C ATOM 478 O CYS A 30 -15.033 5.784 -3.055 1.00 1.00 O ATOM 479 CB CYS A 30 -15.431 8.011 -5.389 1.00 1.00 C ATOM 480 SG CYS A 30 -16.371 9.241 -4.439 1.00 1.00 S ATOM 0 H CYS A 30 -17.495 7.047 -6.352 1.00 1.00 H new ATOM 0 HA CYS A 30 -15.057 5.934 -5.560 1.00 1.00 H new ATOM 0 HB2 CYS A 30 -14.374 8.112 -5.141 1.00 1.00 H new ATOM 0 HB3 CYS A 30 -15.533 8.237 -6.450 1.00 1.00 H new ATOM 0 HG CYS A 30 -17.621 8.887 -4.387 1.00 1.00 H new ATOM 486 N GLU A 31 -17.213 6.492 -3.120 1.00 1.00 N ATOM 487 CA GLU A 31 -17.490 6.236 -1.717 1.00 1.00 C ATOM 488 C GLU A 31 -17.620 4.728 -1.494 1.00 1.00 C ATOM 489 O GLU A 31 -17.046 4.225 -0.517 1.00 1.00 O ATOM 490 CB GLU A 31 -18.749 6.970 -1.250 1.00 1.00 C ATOM 491 CG GLU A 31 -19.346 6.300 -0.010 1.00 1.00 C ATOM 492 CD GLU A 31 -20.300 7.248 0.719 1.00 1.00 C ATOM 493 OE1 GLU A 31 -19.875 8.312 1.194 1.00 1.00 O ATOM 494 OE2 GLU A 31 -21.524 6.847 0.784 1.00 1.00 O ATOM 0 H GLU A 31 -18.004 6.870 -3.641 1.00 1.00 H new ATOM 0 HA GLU A 31 -16.661 6.618 -1.122 1.00 1.00 H new ATOM 0 HB2 GLU A 31 -18.507 8.009 -1.025 1.00 1.00 H new ATOM 0 HB3 GLU A 31 -19.487 6.981 -2.052 1.00 1.00 H new ATOM 0 HG2 GLU A 31 -19.879 5.395 -0.302 1.00 1.00 H new ATOM 0 HG3 GLU A 31 -18.546 5.995 0.664 1.00 1.00 H new ATOM 501 N PHE A 32 -18.359 4.049 -2.389 1.00 1.00 N ATOM 502 CA PHE A 32 -18.560 2.613 -2.290 1.00 1.00 C ATOM 503 C PHE A 32 -17.203 1.922 -2.140 1.00 1.00 C ATOM 504 O PHE A 32 -17.086 1.032 -1.285 1.00 1.00 O ATOM 505 CB PHE A 32 -19.291 2.115 -3.552 1.00 1.00 C ATOM 506 CG PHE A 32 -18.718 0.839 -4.155 1.00 1.00 C ATOM 507 CD1 PHE A 32 -18.826 -0.386 -3.457 1.00 1.00 C ATOM 508 CD2 PHE A 32 -18.081 0.869 -5.418 1.00 1.00 C ATOM 509 CE1 PHE A 32 -18.300 -1.570 -4.015 1.00 1.00 C ATOM 510 CE2 PHE A 32 -17.556 -0.316 -5.976 1.00 1.00 C ATOM 511 CZ PHE A 32 -17.665 -1.536 -5.274 1.00 1.00 C ATOM 0 H PHE A 32 -18.823 4.483 -3.187 1.00 1.00 H new ATOM 0 HA PHE A 32 -19.169 2.377 -1.417 1.00 1.00 H new ATOM 0 HB2 PHE A 32 -20.339 1.946 -3.306 1.00 1.00 H new ATOM 0 HB3 PHE A 32 -19.264 2.902 -4.306 1.00 1.00 H new ATOM 0 HD1 PHE A 32 -19.313 -0.415 -2.493 1.00 1.00 H new ATOM 0 HD2 PHE A 32 -17.996 1.801 -5.956 1.00 1.00 H new ATOM 0 HE1 PHE A 32 -18.384 -2.503 -3.478 1.00 1.00 H new ATOM 0 HE2 PHE A 32 -17.071 -0.290 -6.940 1.00 1.00 H new ATOM 0 HZ PHE A 32 -17.262 -2.443 -5.701 1.00 1.00 H new ATOM 521 N ILE A 33 -16.221 2.338 -2.960 1.00 1.00 N ATOM 522 CA ILE A 33 -14.887 1.763 -2.918 1.00 1.00 C ATOM 523 C ILE A 33 -14.109 2.374 -1.751 1.00 1.00 C ATOM 524 O ILE A 33 -13.203 1.707 -1.232 1.00 1.00 O ATOM 525 CB ILE A 33 -14.192 1.922 -4.271 1.00 1.00 C ATOM 526 CG1 ILE A 33 -14.825 1.009 -5.323 1.00 1.00 C ATOM 527 CG2 ILE A 33 -12.685 1.692 -4.144 1.00 1.00 C ATOM 528 CD1 ILE A 33 -15.084 1.771 -6.625 1.00 1.00 C ATOM 0 H ILE A 33 -16.338 3.073 -3.658 1.00 1.00 H new ATOM 0 HA ILE A 33 -14.941 0.689 -2.738 1.00 1.00 H new ATOM 0 HB ILE A 33 -14.333 2.949 -4.609 1.00 1.00 H new ATOM 0 HG12 ILE A 33 -14.167 0.162 -5.518 1.00 1.00 H new ATOM 0 HG13 ILE A 33 -15.762 0.604 -4.942 1.00 1.00 H new ATOM 0 HG21 ILE A 33 -12.215 1.811 -5.120 1.00 1.00 H new ATOM 0 HG22 ILE A 33 -12.264 2.417 -3.448 1.00 1.00 H new ATOM 0 HG23 ILE A 33 -12.501 0.684 -3.773 1.00 1.00 H new ATOM 0 HD11 ILE A 33 -15.534 1.100 -7.356 1.00 1.00 H new ATOM 0 HD12 ILE A 33 -15.761 2.603 -6.431 1.00 1.00 H new ATOM 0 HD13 ILE A 33 -14.141 2.154 -7.016 1.00 1.00 H new ATOM 540 N SER A 34 -14.472 3.612 -1.368 1.00 1.00 N ATOM 541 CA SER A 34 -13.813 4.303 -0.273 1.00 1.00 C ATOM 542 C SER A 34 -14.087 3.557 1.035 1.00 1.00 C ATOM 543 O SER A 34 -13.241 3.622 1.939 1.00 1.00 O ATOM 544 CB SER A 34 -14.282 5.755 -0.164 1.00 1.00 C ATOM 545 OG SER A 34 -13.575 6.471 0.844 1.00 1.00 O ATOM 0 H SER A 34 -15.221 4.145 -1.809 1.00 1.00 H new ATOM 0 HA SER A 34 -12.741 4.319 -0.470 1.00 1.00 H new ATOM 0 HB2 SER A 34 -14.147 6.253 -1.124 1.00 1.00 H new ATOM 0 HB3 SER A 34 -15.349 5.775 0.058 1.00 1.00 H new ATOM 0 HG SER A 34 -13.903 7.394 0.881 1.00 1.00 H new ATOM 551 N ASN A 35 -15.244 2.876 1.108 1.00 1.00 N ATOM 552 CA ASN A 35 -15.623 2.127 2.294 1.00 1.00 C ATOM 553 C ASN A 35 -15.003 0.730 2.229 1.00 1.00 C ATOM 554 O ASN A 35 -15.189 -0.043 3.180 1.00 1.00 O ATOM 555 CB ASN A 35 -17.142 1.967 2.383 1.00 1.00 C ATOM 556 CG ASN A 35 -17.724 1.508 1.045 1.00 1.00 C ATOM 557 OD1 ASN A 35 -18.173 2.298 0.230 1.00 1.00 O ATOM 558 ND2 ASN A 35 -17.692 0.191 0.864 1.00 1.00 N ATOM 0 H ASN A 35 -15.927 2.836 0.351 1.00 1.00 H new ATOM 0 HA ASN A 35 -15.267 2.675 3.167 1.00 1.00 H new ATOM 0 HB2 ASN A 35 -17.390 1.243 3.159 1.00 1.00 H new ATOM 0 HB3 ASN A 35 -17.595 2.915 2.675 1.00 1.00 H new ATOM 0 HD21 ASN A 35 -18.057 -0.214 0.002 1.00 1.00 H new ATOM 0 HD22 ASN A 35 -17.302 -0.414 1.587 1.00 1.00 H new ATOM 565 N ARG A 36 -14.291 0.438 1.126 1.00 1.00 N ATOM 566 CA ARG A 36 -13.652 -0.854 0.941 1.00 1.00 C ATOM 567 C ARG A 36 -12.233 -0.645 0.409 1.00 1.00 C ATOM 568 O ARG A 36 -11.574 -1.642 0.080 1.00 1.00 O ATOM 569 CB ARG A 36 -14.432 -1.734 -0.038 1.00 1.00 C ATOM 570 CG ARG A 36 -14.412 -1.138 -1.447 1.00 1.00 C ATOM 571 CD ARG A 36 -14.008 -2.190 -2.482 1.00 1.00 C ATOM 572 NE ARG A 36 -14.536 -1.819 -3.813 1.00 1.00 N ATOM 573 CZ ARG A 36 -14.172 -2.419 -4.966 1.00 1.00 C ATOM 574 NH1 ARG A 36 -13.277 -3.416 -4.925 1.00 1.00 N ATOM 575 NH2 ARG A 36 -14.697 -2.024 -6.134 1.00 1.00 N ATOM 0 H ARG A 36 -14.150 1.089 0.354 1.00 1.00 H new ATOM 0 HA ARG A 36 -13.627 -1.360 1.906 1.00 1.00 H new ATOM 0 HB2 ARG A 36 -14.000 -2.735 -0.056 1.00 1.00 H new ATOM 0 HB3 ARG A 36 -15.462 -1.838 0.302 1.00 1.00 H new ATOM 0 HG2 ARG A 36 -15.397 -0.741 -1.692 1.00 1.00 H new ATOM 0 HG3 ARG A 36 -13.714 -0.302 -1.482 1.00 1.00 H new ATOM 0 HD2 ARG A 36 -12.922 -2.274 -2.523 1.00 1.00 H new ATOM 0 HD3 ARG A 36 -14.392 -3.167 -2.189 1.00 1.00 H new ATOM 0 HE ARG A 36 -15.218 -1.062 -3.863 1.00 1.00 H new ATOM 0 HH11 ARG A 36 -12.882 -3.710 -4.032 1.00 1.00 H new ATOM 0 HH12 ARG A 36 -12.991 -3.880 -5.787 1.00 1.00 H new ATOM 0 HH21 ARG A 36 -15.377 -1.264 -6.156 1.00 1.00 H new ATOM 0 HH22 ARG A 36 -14.416 -2.483 -7.001 1.00 1.00 H new ATOM 589 N PHE A 37 -11.799 0.626 0.336 1.00 1.00 N ATOM 590 CA PHE A 37 -10.471 0.959 -0.152 1.00 1.00 C ATOM 591 C PHE A 37 -9.799 1.922 0.828 1.00 1.00 C ATOM 592 O PHE A 37 -9.675 3.110 0.496 1.00 1.00 O ATOM 593 CB PHE A 37 -10.589 1.595 -1.550 1.00 1.00 C ATOM 594 CG PHE A 37 -10.426 0.619 -2.708 1.00 1.00 C ATOM 595 CD1 PHE A 37 -10.982 -0.678 -2.625 1.00 1.00 C ATOM 596 CD2 PHE A 37 -9.724 1.005 -3.874 1.00 1.00 C ATOM 597 CE1 PHE A 37 -10.836 -1.583 -3.697 1.00 1.00 C ATOM 598 CE2 PHE A 37 -9.579 0.099 -4.947 1.00 1.00 C ATOM 599 CZ PHE A 37 -10.135 -1.195 -4.858 1.00 1.00 C ATOM 0 H PHE A 37 -12.358 1.433 0.612 1.00 1.00 H new ATOM 0 HA PHE A 37 -9.861 0.059 -0.228 1.00 1.00 H new ATOM 0 HB2 PHE A 37 -11.563 2.078 -1.634 1.00 1.00 H new ATOM 0 HB3 PHE A 37 -9.836 2.378 -1.643 1.00 1.00 H new ATOM 0 HD1 PHE A 37 -11.520 -0.977 -1.738 1.00 1.00 H new ATOM 0 HD2 PHE A 37 -9.298 1.995 -3.943 1.00 1.00 H new ATOM 0 HE1 PHE A 37 -11.261 -2.573 -3.629 1.00 1.00 H new ATOM 0 HE2 PHE A 37 -9.043 0.396 -5.836 1.00 1.00 H new ATOM 0 HZ PHE A 37 -10.024 -1.888 -5.679 1.00 1.00 H new ATOM 609 N PRO A 38 -9.386 1.401 1.997 1.00 1.00 N ATOM 610 CA PRO A 38 -8.731 2.179 3.035 1.00 1.00 C ATOM 611 C PRO A 38 -7.282 2.489 2.655 1.00 1.00 C ATOM 612 O PRO A 38 -6.968 3.670 2.441 1.00 1.00 O ATOM 613 CB PRO A 38 -8.847 1.333 4.293 1.00 1.00 C ATOM 614 CG PRO A 38 -9.146 -0.080 3.819 1.00 1.00 C ATOM 615 CD PRO A 38 -9.549 -0.005 2.355 1.00 1.00 C ATOM 0 HA PRO A 38 -9.192 3.155 3.184 1.00 1.00 H new ATOM 0 HB2 PRO A 38 -7.923 1.364 4.871 1.00 1.00 H new ATOM 0 HB3 PRO A 38 -9.641 1.704 4.941 1.00 1.00 H new ATOM 0 HG2 PRO A 38 -8.270 -0.717 3.942 1.00 1.00 H new ATOM 0 HG3 PRO A 38 -9.947 -0.521 4.413 1.00 1.00 H new ATOM 0 HD2 PRO A 38 -8.920 -0.646 1.738 1.00 1.00 H new ATOM 0 HD3 PRO A 38 -10.578 -0.334 2.210 1.00 1.00 H new ATOM 623 N TYR A 39 -6.441 1.442 2.580 1.00 1.00 N ATOM 624 CA TYR A 39 -5.050 1.671 2.228 1.00 1.00 C ATOM 625 C TYR A 39 -4.929 1.812 0.710 1.00 1.00 C ATOM 626 O TYR A 39 -3.800 1.986 0.229 1.00 1.00 O ATOM 627 CB TYR A 39 -4.172 0.528 2.770 1.00 1.00 C ATOM 628 CG TYR A 39 -3.842 -0.552 1.749 1.00 1.00 C ATOM 629 CD1 TYR A 39 -4.863 -1.379 1.226 1.00 1.00 C ATOM 630 CD2 TYR A 39 -2.507 -0.738 1.322 1.00 1.00 C ATOM 631 CE1 TYR A 39 -4.551 -2.381 0.282 1.00 1.00 C ATOM 632 CE2 TYR A 39 -2.195 -1.739 0.379 1.00 1.00 C ATOM 633 CZ TYR A 39 -3.217 -2.562 -0.143 1.00 1.00 C ATOM 634 OH TYR A 39 -2.911 -3.529 -1.057 1.00 1.00 O ATOM 0 H TYR A 39 -6.696 0.470 2.753 1.00 1.00 H new ATOM 0 HA TYR A 39 -4.697 2.596 2.684 1.00 1.00 H new ATOM 0 HB2 TYR A 39 -3.241 0.950 3.148 1.00 1.00 H new ATOM 0 HB3 TYR A 39 -4.680 0.067 3.617 1.00 1.00 H new ATOM 0 HD1 TYR A 39 -5.884 -1.244 1.550 1.00 1.00 H new ATOM 0 HD2 TYR A 39 -1.723 -0.111 1.720 1.00 1.00 H new ATOM 0 HE1 TYR A 39 -5.334 -3.010 -0.116 1.00 1.00 H new ATOM 0 HE2 TYR A 39 -1.174 -1.876 0.056 1.00 1.00 H new ATOM 0 HH TYR A 39 -1.948 -3.515 -1.238 1.00 1.00 H new ATOM 644 N TYR A 40 -6.066 1.728 -0.004 1.00 1.00 N ATOM 645 CA TYR A 40 -6.008 1.840 -1.451 1.00 1.00 C ATOM 646 C TYR A 40 -6.067 3.317 -1.846 1.00 1.00 C ATOM 647 O TYR A 40 -5.214 3.743 -2.639 1.00 1.00 O ATOM 648 CB TYR A 40 -7.149 1.029 -2.092 1.00 1.00 C ATOM 649 CG TYR A 40 -6.689 -0.059 -3.052 1.00 1.00 C ATOM 650 CD1 TYR A 40 -5.722 0.235 -4.041 1.00 1.00 C ATOM 651 CD2 TYR A 40 -7.218 -1.367 -2.959 1.00 1.00 C ATOM 652 CE1 TYR A 40 -5.290 -0.771 -4.932 1.00 1.00 C ATOM 653 CE2 TYR A 40 -6.785 -2.372 -3.849 1.00 1.00 C ATOM 654 CZ TYR A 40 -5.821 -2.075 -4.838 1.00 1.00 C ATOM 655 OH TYR A 40 -5.401 -3.045 -5.702 1.00 1.00 O ATOM 0 H TYR A 40 -6.997 1.588 0.389 1.00 1.00 H new ATOM 0 HA TYR A 40 -5.069 1.426 -1.819 1.00 1.00 H new ATOM 0 HB2 TYR A 40 -7.741 0.570 -1.300 1.00 1.00 H new ATOM 0 HB3 TYR A 40 -7.808 1.713 -2.627 1.00 1.00 H new ATOM 0 HD1 TYR A 40 -5.313 1.232 -4.115 1.00 1.00 H new ATOM 0 HD2 TYR A 40 -7.956 -1.597 -2.204 1.00 1.00 H new ATOM 0 HE1 TYR A 40 -4.552 -0.542 -5.687 1.00 1.00 H new ATOM 0 HE2 TYR A 40 -7.191 -3.370 -3.774 1.00 1.00 H new ATOM 0 HH TYR A 40 -5.864 -3.885 -5.501 1.00 1.00 H new ATOM 665 N ARG A 41 -7.055 4.054 -1.307 1.00 1.00 N ATOM 666 CA ARG A 41 -7.219 5.464 -1.615 1.00 1.00 C ATOM 667 C ARG A 41 -6.307 6.290 -0.705 1.00 1.00 C ATOM 668 O ARG A 41 -5.687 7.243 -1.200 1.00 1.00 O ATOM 669 CB ARG A 41 -8.667 5.919 -1.420 1.00 1.00 C ATOM 670 CG ARG A 41 -8.795 7.434 -1.595 1.00 1.00 C ATOM 671 CD ARG A 41 -10.013 7.786 -2.451 1.00 1.00 C ATOM 672 NE ARG A 41 -9.989 9.225 -2.797 1.00 1.00 N ATOM 673 CZ ARG A 41 -10.259 10.218 -1.924 1.00 1.00 C ATOM 674 NH1 ARG A 41 -10.570 9.904 -0.659 1.00 1.00 N ATOM 675 NH2 ARG A 41 -10.216 11.499 -2.316 1.00 1.00 N ATOM 0 H ARG A 41 -7.747 3.684 -0.656 1.00 1.00 H new ATOM 0 HA ARG A 41 -6.953 5.614 -2.661 1.00 1.00 H new ATOM 0 HB2 ARG A 41 -9.311 5.411 -2.138 1.00 1.00 H new ATOM 0 HB3 ARG A 41 -9.011 5.634 -0.426 1.00 1.00 H new ATOM 0 HG2 ARG A 41 -8.882 7.910 -0.619 1.00 1.00 H new ATOM 0 HG3 ARG A 41 -7.892 7.827 -2.062 1.00 1.00 H new ATOM 0 HD2 ARG A 41 -10.015 7.185 -3.360 1.00 1.00 H new ATOM 0 HD3 ARG A 41 -10.929 7.549 -1.910 1.00 1.00 H new ATOM 0 HE ARG A 41 -9.754 9.482 -3.756 1.00 1.00 H new ATOM 0 HH11 ARG A 41 -10.600 8.927 -0.369 1.00 1.00 H new ATOM 0 HH12 ARG A 41 -10.777 10.642 0.014 1.00 1.00 H new ATOM 0 HH21 ARG A 41 -9.978 11.729 -3.281 1.00 1.00 H new ATOM 0 HH22 ARG A 41 -10.421 12.243 -1.650 1.00 1.00 H new ATOM 689 N GLU A 42 -6.243 5.914 0.585 1.00 1.00 N ATOM 690 CA GLU A 42 -5.413 6.615 1.550 1.00 1.00 C ATOM 691 C GLU A 42 -3.940 6.426 1.183 1.00 1.00 C ATOM 692 O GLU A 42 -3.088 7.064 1.818 1.00 1.00 O ATOM 693 CB GLU A 42 -5.688 6.137 2.978 1.00 1.00 C ATOM 694 CG GLU A 42 -5.652 7.307 3.964 1.00 1.00 C ATOM 695 CD GLU A 42 -4.285 7.994 3.950 1.00 1.00 C ATOM 696 OE1 GLU A 42 -4.143 8.908 3.051 1.00 1.00 O ATOM 697 OE2 GLU A 42 -3.414 7.657 4.766 1.00 1.00 O ATOM 0 H GLU A 42 -6.762 5.126 0.972 1.00 1.00 H new ATOM 0 HA GLU A 42 -5.658 7.677 1.517 1.00 1.00 H new ATOM 0 HB2 GLU A 42 -6.662 5.650 3.021 1.00 1.00 H new ATOM 0 HB3 GLU A 42 -4.946 5.392 3.265 1.00 1.00 H new ATOM 0 HG2 GLU A 42 -6.428 8.028 3.707 1.00 1.00 H new ATOM 0 HG3 GLU A 42 -5.872 6.947 4.969 1.00 1.00 H new ATOM 704 N LYS A 43 -3.674 5.569 0.182 1.00 1.00 N ATOM 705 CA LYS A 43 -2.317 5.301 -0.263 1.00 1.00 C ATOM 706 C LYS A 43 -2.093 5.956 -1.628 1.00 1.00 C ATOM 707 O LYS A 43 -1.081 6.654 -1.788 1.00 1.00 O ATOM 708 CB LYS A 43 -2.035 3.797 -0.249 1.00 1.00 C ATOM 709 CG LYS A 43 -0.556 3.514 -0.517 1.00 1.00 C ATOM 710 CD LYS A 43 0.255 3.561 0.780 1.00 1.00 C ATOM 711 CE LYS A 43 0.669 4.995 1.115 1.00 1.00 C ATOM 712 NZ LYS A 43 1.930 5.003 1.876 1.00 1.00 N ATOM 0 H LYS A 43 -4.391 5.054 -0.329 1.00 1.00 H new ATOM 0 HA LYS A 43 -1.597 5.743 0.425 1.00 1.00 H new ATOM 0 HB2 LYS A 43 -2.320 3.379 0.717 1.00 1.00 H new ATOM 0 HB3 LYS A 43 -2.646 3.302 -1.003 1.00 1.00 H new ATOM 0 HG2 LYS A 43 -0.448 2.534 -0.982 1.00 1.00 H new ATOM 0 HG3 LYS A 43 -0.164 4.247 -1.222 1.00 1.00 H new ATOM 0 HD2 LYS A 43 -0.336 3.149 1.598 1.00 1.00 H new ATOM 0 HD3 LYS A 43 1.142 2.936 0.681 1.00 1.00 H new ATOM 0 HE2 LYS A 43 0.788 5.570 0.196 1.00 1.00 H new ATOM 0 HE3 LYS A 43 -0.116 5.480 1.695 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 2.197 5.984 2.095 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 1.804 4.472 2.761 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 2.680 4.559 1.309 1.00 1.00 H new ATOM 726 N PHE A 44 -3.027 5.723 -2.568 1.00 1.00 N ATOM 727 CA PHE A 44 -2.931 6.286 -3.904 1.00 1.00 C ATOM 728 C PHE A 44 -4.266 6.936 -4.274 1.00 1.00 C ATOM 729 O PHE A 44 -4.973 6.384 -5.130 1.00 1.00 O ATOM 730 CB PHE A 44 -2.572 5.168 -4.902 1.00 1.00 C ATOM 731 CG PHE A 44 -2.082 5.660 -6.257 1.00 1.00 C ATOM 732 CD1 PHE A 44 -1.485 6.936 -6.381 1.00 1.00 C ATOM 733 CD2 PHE A 44 -2.229 4.844 -7.402 1.00 1.00 C ATOM 734 CE1 PHE A 44 -1.037 7.391 -7.640 1.00 1.00 C ATOM 735 CE2 PHE A 44 -1.780 5.299 -8.661 1.00 1.00 C ATOM 736 CZ PHE A 44 -1.184 6.572 -8.779 1.00 1.00 C ATOM 0 H PHE A 44 -3.854 5.146 -2.415 1.00 1.00 H new ATOM 0 HA PHE A 44 -2.151 7.047 -3.937 1.00 1.00 H new ATOM 0 HB2 PHE A 44 -1.801 4.537 -4.459 1.00 1.00 H new ATOM 0 HB3 PHE A 44 -3.449 4.540 -5.054 1.00 1.00 H new ATOM 0 HD1 PHE A 44 -1.371 7.564 -5.510 1.00 1.00 H new ATOM 0 HD2 PHE A 44 -2.686 3.870 -7.313 1.00 1.00 H new ATOM 0 HE1 PHE A 44 -0.582 8.366 -7.731 1.00 1.00 H new ATOM 0 HE2 PHE A 44 -1.893 4.672 -9.533 1.00 1.00 H new ATOM 0 HZ PHE A 44 -0.840 6.920 -9.742 1.00 1.00 H new ATOM 746 N PRO A 45 -4.578 8.077 -3.635 1.00 1.00 N ATOM 747 CA PRO A 45 -5.805 8.819 -3.870 1.00 1.00 C ATOM 748 C PRO A 45 -5.742 9.575 -5.199 1.00 1.00 C ATOM 749 O PRO A 45 -6.754 10.181 -5.581 1.00 1.00 O ATOM 750 CB PRO A 45 -5.944 9.740 -2.669 1.00 1.00 C ATOM 751 CG PRO A 45 -4.563 9.816 -2.039 1.00 1.00 C ATOM 752 CD PRO A 45 -3.719 8.699 -2.631 1.00 1.00 C ATOM 0 HA PRO A 45 -6.677 8.172 -3.962 1.00 1.00 H new ATOM 0 HB2 PRO A 45 -6.289 10.728 -2.973 1.00 1.00 H new ATOM 0 HB3 PRO A 45 -6.675 9.350 -1.961 1.00 1.00 H new ATOM 0 HG2 PRO A 45 -4.106 10.786 -2.237 1.00 1.00 H new ATOM 0 HG3 PRO A 45 -4.631 9.710 -0.956 1.00 1.00 H new ATOM 0 HD2 PRO A 45 -2.805 9.088 -3.079 1.00 1.00 H new ATOM 0 HD3 PRO A 45 -3.419 7.982 -1.867 1.00 1.00 H new ATOM 760 N ALA A 46 -4.575 9.525 -5.866 1.00 1.00 N ATOM 761 CA ALA A 46 -4.386 10.200 -7.139 1.00 1.00 C ATOM 762 C ALA A 46 -4.977 9.341 -8.259 1.00 1.00 C ATOM 763 O ALA A 46 -5.254 9.887 -9.337 1.00 1.00 O ATOM 764 CB ALA A 46 -2.891 10.325 -7.438 1.00 1.00 C ATOM 0 H ALA A 46 -3.753 9.020 -5.534 1.00 1.00 H new ATOM 0 HA ALA A 46 -4.864 11.178 -7.086 1.00 1.00 H new ATOM 0 HB1 ALA A 46 -2.752 10.831 -8.393 1.00 1.00 H new ATOM 0 HB2 ALA A 46 -2.409 10.901 -6.648 1.00 1.00 H new ATOM 0 HB3 ALA A 46 -2.445 9.331 -7.486 1.00 1.00 H new ATOM 770 N TRP A 47 -5.154 8.036 -7.988 1.00 1.00 N ATOM 771 CA TRP A 47 -5.706 7.114 -8.966 1.00 1.00 C ATOM 772 C TRP A 47 -7.233 7.210 -8.945 1.00 1.00 C ATOM 773 O TRP A 47 -7.886 6.343 -9.543 1.00 1.00 O ATOM 774 CB TRP A 47 -5.193 5.696 -8.707 1.00 1.00 C ATOM 775 CG TRP A 47 -5.964 4.943 -7.622 1.00 1.00 C ATOM 776 CD1 TRP A 47 -6.642 5.455 -6.585 1.00 1.00 C ATOM 777 CD2 TRP A 47 -6.112 3.512 -7.509 1.00 1.00 C ATOM 778 NE1 TRP A 47 -7.212 4.462 -5.814 1.00 1.00 N ATOM 779 CE2 TRP A 47 -6.880 3.243 -6.394 1.00 1.00 C ATOM 780 CE3 TRP A 47 -5.613 2.478 -8.321 1.00 1.00 C ATOM 781 CZ2 TRP A 47 -7.218 1.946 -5.990 1.00 1.00 C ATOM 782 CZ3 TRP A 47 -5.959 1.188 -7.904 1.00 1.00 C ATOM 783 CH2 TRP A 47 -6.732 0.900 -6.784 1.00 1.00 C ATOM 0 H TRP A 47 -4.918 7.606 -7.094 1.00 1.00 H new ATOM 0 HA TRP A 47 -5.375 7.383 -9.969 1.00 1.00 H new ATOM 0 HB2 TRP A 47 -5.244 5.127 -9.635 1.00 1.00 H new ATOM 0 HB3 TRP A 47 -4.142 5.747 -8.422 1.00 1.00 H new ATOM 0 HD1 TRP A 47 -6.731 6.511 -6.379 1.00 1.00 H new ATOM 0 HE1 TRP A 47 -7.774 4.598 -4.973 1.00 1.00 H new ATOM 0 HE3 TRP A 47 -5.010 2.665 -9.197 1.00 1.00 H new ATOM 0 HZ2 TRP A 47 -7.821 1.762 -5.113 1.00 1.00 H new ATOM 0 HZ3 TRP A 47 -5.601 0.357 -8.493 1.00 1.00 H new ATOM 0 HH2 TRP A 47 -6.956 -0.125 -6.528 1.00 1.00 H new ATOM 794 N GLN A 48 -7.763 8.244 -8.268 1.00 1.00 N ATOM 795 CA GLN A 48 -9.198 8.448 -8.172 1.00 1.00 C ATOM 796 C GLN A 48 -9.783 8.593 -9.579 1.00 1.00 C ATOM 797 O GLN A 48 -10.827 7.982 -9.849 1.00 1.00 O ATOM 798 CB GLN A 48 -9.537 9.665 -7.310 1.00 1.00 C ATOM 799 CG GLN A 48 -11.047 9.907 -7.271 1.00 1.00 C ATOM 800 CD GLN A 48 -11.396 11.285 -7.837 1.00 1.00 C ATOM 801 OE1 GLN A 48 -10.952 11.677 -8.903 1.00 1.00 O ATOM 802 NE2 GLN A 48 -12.216 11.994 -7.066 1.00 1.00 N ATOM 0 H GLN A 48 -7.207 8.947 -7.782 1.00 1.00 H new ATOM 0 HA GLN A 48 -9.642 7.580 -7.684 1.00 1.00 H new ATOM 0 HB2 GLN A 48 -9.163 9.513 -6.297 1.00 1.00 H new ATOM 0 HB3 GLN A 48 -9.034 10.547 -7.706 1.00 1.00 H new ATOM 0 HG2 GLN A 48 -11.558 9.134 -7.845 1.00 1.00 H new ATOM 0 HG3 GLN A 48 -11.405 9.830 -6.244 1.00 1.00 H new ATOM 0 HE21 GLN A 48 -12.551 11.605 -6.184 1.00 1.00 H new ATOM 0 HE22 GLN A 48 -12.510 12.927 -7.356 1.00 1.00 H new ATOM 811 N ASN A 49 -9.110 9.386 -10.432 1.00 1.00 N ATOM 812 CA ASN A 49 -9.560 9.606 -11.796 1.00 1.00 C ATOM 813 C ASN A 49 -9.117 8.432 -12.671 1.00 1.00 C ATOM 814 O ASN A 49 -9.894 8.023 -13.546 1.00 1.00 O ATOM 815 CB ASN A 49 -8.952 10.885 -12.376 1.00 1.00 C ATOM 816 CG ASN A 49 -9.419 11.109 -13.816 1.00 1.00 C ATOM 817 OD1 ASN A 49 -10.531 11.538 -14.076 1.00 1.00 O ATOM 818 ND2 ASN A 49 -8.509 10.795 -14.734 1.00 1.00 N ATOM 0 H ASN A 49 -8.252 9.881 -10.189 1.00 1.00 H new ATOM 0 HA ASN A 49 -10.646 9.697 -11.783 1.00 1.00 H new ATOM 0 HB2 ASN A 49 -9.236 11.739 -11.761 1.00 1.00 H new ATOM 0 HB3 ASN A 49 -7.864 10.820 -12.348 1.00 1.00 H new ATOM 0 HD21 ASN A 49 -8.724 10.909 -15.725 1.00 1.00 H new ATOM 0 HD22 ASN A 49 -7.597 10.441 -14.447 1.00 1.00 H new ATOM 825 N SER A 50 -7.898 7.923 -12.422 1.00 1.00 N ATOM 826 CA SER A 50 -7.360 6.807 -13.182 1.00 1.00 C ATOM 827 C SER A 50 -8.410 5.697 -13.264 1.00 1.00 C ATOM 828 O SER A 50 -8.546 5.092 -14.337 1.00 1.00 O ATOM 829 CB SER A 50 -6.070 6.272 -12.555 1.00 1.00 C ATOM 830 OG SER A 50 -5.055 6.051 -13.530 1.00 1.00 O ATOM 0 H SER A 50 -7.274 8.275 -11.696 1.00 1.00 H new ATOM 0 HA SER A 50 -7.116 7.157 -14.185 1.00 1.00 H new ATOM 0 HB2 SER A 50 -5.708 6.980 -11.809 1.00 1.00 H new ATOM 0 HB3 SER A 50 -6.281 5.339 -12.033 1.00 1.00 H new ATOM 0 HG SER A 50 -4.248 5.712 -13.090 1.00 1.00 H new ATOM 836 N ILE A 51 -9.119 5.456 -12.147 1.00 1.00 N ATOM 837 CA ILE A 51 -10.146 4.429 -12.093 1.00 1.00 C ATOM 838 C ILE A 51 -11.308 4.828 -13.005 1.00 1.00 C ATOM 839 O ILE A 51 -11.838 3.951 -13.703 1.00 1.00 O ATOM 840 CB ILE A 51 -10.564 4.164 -10.646 1.00 1.00 C ATOM 841 CG1 ILE A 51 -9.382 3.652 -9.819 1.00 1.00 C ATOM 842 CG2 ILE A 51 -11.760 3.213 -10.585 1.00 1.00 C ATOM 843 CD1 ILE A 51 -9.702 3.690 -8.323 1.00 1.00 C ATOM 0 H ILE A 51 -8.991 5.966 -11.273 1.00 1.00 H new ATOM 0 HA ILE A 51 -9.757 3.482 -12.466 1.00 1.00 H new ATOM 0 HB ILE A 51 -10.882 5.109 -10.204 1.00 1.00 H new ATOM 0 HG12 ILE A 51 -9.140 2.632 -10.117 1.00 1.00 H new ATOM 0 HG13 ILE A 51 -8.501 4.261 -10.022 1.00 1.00 H new ATOM 0 HG21 ILE A 51 -12.036 3.042 -9.545 1.00 1.00 H new ATOM 0 HG22 ILE A 51 -12.603 3.654 -11.116 1.00 1.00 H new ATOM 0 HG23 ILE A 51 -11.494 2.264 -11.051 1.00 1.00 H new ATOM 0 HD11 ILE A 51 -8.846 3.321 -7.758 1.00 1.00 H new ATOM 0 HD12 ILE A 51 -9.920 4.715 -8.023 1.00 1.00 H new ATOM 0 HD13 ILE A 51 -10.569 3.061 -8.120 1.00 1.00 H new ATOM 855 N ARG A 52 -11.675 6.122 -12.982 1.00 1.00 N ATOM 856 CA ARG A 52 -12.763 6.628 -13.801 1.00 1.00 C ATOM 857 C ARG A 52 -12.486 6.302 -15.270 1.00 1.00 C ATOM 858 O ARG A 52 -13.423 5.891 -15.970 1.00 1.00 O ATOM 859 CB ARG A 52 -12.929 8.141 -13.645 1.00 1.00 C ATOM 860 CG ARG A 52 -14.267 8.481 -12.983 1.00 1.00 C ATOM 861 CD ARG A 52 -14.938 9.666 -13.681 1.00 1.00 C ATOM 862 NE ARG A 52 -14.937 10.846 -12.788 1.00 1.00 N ATOM 863 CZ ARG A 52 -15.711 11.936 -12.973 1.00 1.00 C ATOM 864 NH1 ARG A 52 -16.540 11.973 -14.025 1.00 1.00 N ATOM 865 NH2 ARG A 52 -15.651 12.966 -12.117 1.00 1.00 N ATOM 0 H ARG A 52 -11.225 6.829 -12.400 1.00 1.00 H new ATOM 0 HA ARG A 52 -13.684 6.148 -13.471 1.00 1.00 H new ATOM 0 HB2 ARG A 52 -12.111 8.540 -13.046 1.00 1.00 H new ATOM 0 HB3 ARG A 52 -12.871 8.620 -14.623 1.00 1.00 H new ATOM 0 HG2 ARG A 52 -14.925 7.613 -13.018 1.00 1.00 H new ATOM 0 HG3 ARG A 52 -14.107 8.717 -11.931 1.00 1.00 H new ATOM 0 HD2 ARG A 52 -14.411 9.899 -14.606 1.00 1.00 H new ATOM 0 HD3 ARG A 52 -15.961 9.407 -13.953 1.00 1.00 H new ATOM 0 HE ARG A 52 -14.312 10.835 -11.982 1.00 1.00 H new ATOM 0 HH11 ARG A 52 -16.579 11.185 -14.671 1.00 1.00 H new ATOM 0 HH12 ARG A 52 -17.132 12.789 -14.179 1.00 1.00 H new ATOM 0 HH21 ARG A 52 -15.017 12.930 -11.319 1.00 1.00 H new ATOM 0 HH22 ARG A 52 -16.239 13.786 -12.264 1.00 1.00 H new ATOM 879 N HIS A 53 -11.225 6.488 -15.700 1.00 1.00 N ATOM 880 CA HIS A 53 -10.832 6.215 -17.072 1.00 1.00 C ATOM 881 C HIS A 53 -11.151 4.758 -17.409 1.00 1.00 C ATOM 882 O HIS A 53 -11.907 4.526 -18.365 1.00 1.00 O ATOM 883 CB HIS A 53 -9.360 6.567 -17.300 1.00 1.00 C ATOM 884 CG HIS A 53 -9.143 7.930 -17.914 1.00 1.00 C ATOM 885 ND1 HIS A 53 -9.925 9.027 -17.599 1.00 1.00 N ATOM 886 CD2 HIS A 53 -8.225 8.360 -18.826 1.00 1.00 C ATOM 887 CE1 HIS A 53 -9.489 10.066 -18.297 1.00 1.00 C ATOM 888 NE2 HIS A 53 -8.435 9.650 -19.057 1.00 1.00 N ATOM 0 H HIS A 53 -10.468 6.827 -15.107 1.00 1.00 H new ATOM 0 HA HIS A 53 -11.403 6.848 -17.752 1.00 1.00 H new ATOM 0 HB2 HIS A 53 -8.834 6.521 -16.346 1.00 1.00 H new ATOM 0 HB3 HIS A 53 -8.913 5.813 -17.947 1.00 1.00 H new ATOM 0 HD2 HIS A 53 -7.457 7.754 -19.283 1.00 1.00 H new ATOM 0 HE1 HIS A 53 -9.896 11.066 -18.269 1.00 1.00 H new ATOM 0 HE2 HIS A 53 -7.897 10.234 -19.697 1.00 1.00 H new ATOM 896 N ASN A 54 -10.580 3.820 -16.632 1.00 1.00 N ATOM 897 CA ASN A 54 -10.803 2.401 -16.848 1.00 1.00 C ATOM 898 C ASN A 54 -12.272 2.072 -16.574 1.00 1.00 C ATOM 899 O ASN A 54 -12.764 1.072 -17.118 1.00 1.00 O ATOM 900 CB ASN A 54 -9.946 1.558 -15.900 1.00 1.00 C ATOM 901 CG ASN A 54 -10.215 0.065 -16.100 1.00 1.00 C ATOM 902 OD1 ASN A 54 -11.307 -0.376 -15.482 1.00 1.00 O flip ATOM 903 ND2 ASN A 54 -9.479 -0.640 -16.771 1.00 1.00 N flip ATOM 0 H ASN A 54 -9.961 4.032 -15.850 1.00 1.00 H new ATOM 0 HA ASN A 54 -10.534 2.171 -17.879 1.00 1.00 H new ATOM 0 HB2 ASN A 54 -8.891 1.768 -16.074 1.00 1.00 H new ATOM 0 HB3 ASN A 54 -10.160 1.835 -14.868 1.00 1.00 H new ATOM 0 HD21 ASN A 54 -8.656 -0.237 -17.219 1.00 1.00 H new ATOM 0 HD22 ASN A 54 -9.687 -1.632 -16.884 1.00 1.00 H new ATOM 910 N LEU A 55 -12.933 2.907 -15.752 1.00 1.00 N ATOM 911 CA LEU A 55 -14.331 2.706 -15.412 1.00 1.00 C ATOM 912 C LEU A 55 -15.169 2.718 -16.692 1.00 1.00 C ATOM 913 O LEU A 55 -15.945 1.773 -16.898 1.00 1.00 O ATOM 914 CB LEU A 55 -14.783 3.734 -14.372 1.00 1.00 C ATOM 915 CG LEU A 55 -15.492 3.172 -13.138 1.00 1.00 C ATOM 916 CD1 LEU A 55 -15.969 4.299 -12.220 1.00 1.00 C ATOM 917 CD2 LEU A 55 -16.634 2.237 -13.540 1.00 1.00 C ATOM 0 H LEU A 55 -12.510 3.726 -15.316 1.00 1.00 H new ATOM 0 HA LEU A 55 -14.473 1.731 -14.946 1.00 1.00 H new ATOM 0 HB2 LEU A 55 -13.909 4.295 -14.041 1.00 1.00 H new ATOM 0 HB3 LEU A 55 -15.451 4.444 -14.859 1.00 1.00 H new ATOM 0 HG LEU A 55 -14.774 2.578 -12.572 1.00 1.00 H new ATOM 0 HD11 LEU A 55 -16.470 3.873 -11.351 1.00 1.00 H new ATOM 0 HD12 LEU A 55 -15.113 4.889 -11.893 1.00 1.00 H new ATOM 0 HD13 LEU A 55 -16.665 4.939 -12.762 1.00 1.00 H new ATOM 0 HD21 LEU A 55 -17.121 1.852 -12.644 1.00 1.00 H new ATOM 0 HD22 LEU A 55 -17.360 2.786 -14.140 1.00 1.00 H new ATOM 0 HD23 LEU A 55 -16.236 1.406 -14.123 1.00 1.00 H new ATOM 929 N SER A 56 -15.000 3.770 -17.513 1.00 1.00 N ATOM 930 CA SER A 56 -15.735 3.900 -18.759 1.00 1.00 C ATOM 931 C SER A 56 -15.006 3.127 -19.860 1.00 1.00 C ATOM 932 O SER A 56 -15.632 2.838 -20.891 1.00 1.00 O ATOM 933 CB SER A 56 -15.901 5.367 -19.161 1.00 1.00 C ATOM 934 OG SER A 56 -16.175 5.512 -20.552 1.00 1.00 O ATOM 0 H SER A 56 -14.356 4.538 -17.325 1.00 1.00 H new ATOM 0 HA SER A 56 -16.733 3.484 -18.617 1.00 1.00 H new ATOM 0 HB2 SER A 56 -16.712 5.812 -18.584 1.00 1.00 H new ATOM 0 HB3 SER A 56 -14.993 5.916 -18.911 1.00 1.00 H new ATOM 0 HG SER A 56 -16.102 6.456 -20.803 1.00 1.00 H new ATOM 940 N LEU A 57 -13.719 2.814 -19.625 1.00 1.00 N ATOM 941 CA LEU A 57 -12.916 2.082 -20.590 1.00 1.00 C ATOM 942 C LEU A 57 -13.180 0.583 -20.434 1.00 1.00 C ATOM 943 O LEU A 57 -12.817 -0.177 -21.343 1.00 1.00 O ATOM 944 CB LEU A 57 -11.440 2.464 -20.457 1.00 1.00 C ATOM 945 CG LEU A 57 -10.902 3.435 -21.510 1.00 1.00 C ATOM 946 CD1 LEU A 57 -10.957 2.815 -22.907 1.00 1.00 C ATOM 947 CD2 LEU A 57 -11.638 4.775 -21.447 1.00 1.00 C ATOM 0 H LEU A 57 -13.222 3.062 -18.769 1.00 1.00 H new ATOM 0 HA LEU A 57 -13.201 2.352 -21.607 1.00 1.00 H new ATOM 0 HB2 LEU A 57 -11.287 2.905 -19.472 1.00 1.00 H new ATOM 0 HB3 LEU A 57 -10.844 1.552 -20.494 1.00 1.00 H new ATOM 0 HG LEU A 57 -9.853 3.633 -21.288 1.00 1.00 H new ATOM 0 HD11 LEU A 57 -10.569 3.526 -23.636 1.00 1.00 H new ATOM 0 HD12 LEU A 57 -10.352 1.908 -22.927 1.00 1.00 H new ATOM 0 HD13 LEU A 57 -11.989 2.568 -23.155 1.00 1.00 H new ATOM 0 HD21 LEU A 57 -11.236 5.447 -22.206 1.00 1.00 H new ATOM 0 HD22 LEU A 57 -12.701 4.615 -21.630 1.00 1.00 H new ATOM 0 HD23 LEU A 57 -11.502 5.219 -20.461 1.00 1.00 H new ATOM 959 N ASN A 58 -13.797 0.195 -19.304 1.00 1.00 N ATOM 960 CA ASN A 58 -14.105 -1.199 -19.035 1.00 1.00 C ATOM 961 C ASN A 58 -15.474 -1.538 -19.628 1.00 1.00 C ATOM 962 O ASN A 58 -15.517 -2.047 -20.758 1.00 1.00 O ATOM 963 CB ASN A 58 -14.162 -1.470 -17.530 1.00 1.00 C ATOM 964 CG ASN A 58 -14.812 -2.825 -17.241 1.00 1.00 C ATOM 965 OD1 ASN A 58 -15.431 -2.889 -16.066 1.00 1.00 O flip ATOM 966 ND2 ASN A 58 -14.755 -3.751 -18.033 1.00 1.00 N flip ATOM 0 H ASN A 58 -14.088 0.838 -18.568 1.00 1.00 H new ATOM 0 HA ASN A 58 -13.321 -1.810 -19.482 1.00 1.00 H new ATOM 0 HB2 ASN A 58 -13.154 -1.450 -17.115 1.00 1.00 H new ATOM 0 HB3 ASN A 58 -14.726 -0.679 -17.036 1.00 1.00 H new ATOM 0 HD21 ASN A 58 -14.263 -3.635 -18.919 1.00 1.00 H new ATOM 0 HD22 ASN A 58 -15.199 -4.641 -17.809 1.00 1.00 H new ATOM 973 N ASP A 59 -16.547 -1.255 -18.868 1.00 1.00 N ATOM 974 CA ASP A 59 -17.902 -1.528 -19.316 1.00 1.00 C ATOM 975 C ASP A 59 -18.188 -0.721 -20.584 1.00 1.00 C ATOM 976 O ASP A 59 -18.585 -1.326 -21.591 1.00 1.00 O ATOM 977 CB ASP A 59 -18.926 -1.120 -18.255 1.00 1.00 C ATOM 978 CG ASP A 59 -18.702 -1.732 -16.871 1.00 1.00 C ATOM 979 OD1 ASP A 59 -17.574 -1.435 -16.319 1.00 1.00 O ATOM 980 OD2 ASP A 59 -19.561 -2.455 -16.346 1.00 1.00 O ATOM 0 H ASP A 59 -16.489 -0.836 -17.940 1.00 1.00 H new ATOM 0 HA ASP A 59 -17.985 -2.598 -19.505 1.00 1.00 H new ATOM 0 HB2 ASP A 59 -18.917 -0.034 -18.161 1.00 1.00 H new ATOM 0 HB3 ASP A 59 -19.920 -1.401 -18.604 1.00 1.00 H new ATOM 985 N CYS A 60 -17.984 0.606 -20.512 1.00 1.00 N ATOM 986 CA CYS A 60 -18.218 1.484 -21.646 1.00 1.00 C ATOM 987 C CYS A 60 -19.629 2.067 -21.551 1.00 1.00 C ATOM 988 O CYS A 60 -20.323 2.100 -22.578 1.00 1.00 O ATOM 989 CB CYS A 60 -17.991 0.749 -22.968 1.00 1.00 C ATOM 990 SG CYS A 60 -17.201 1.745 -24.267 1.00 1.00 S ATOM 0 H CYS A 60 -17.657 1.084 -19.673 1.00 1.00 H new ATOM 0 HA CYS A 60 -17.502 2.306 -21.621 1.00 1.00 H new ATOM 0 HB2 CYS A 60 -17.375 -0.130 -22.778 1.00 1.00 H new ATOM 0 HB3 CYS A 60 -18.952 0.391 -23.338 1.00 1.00 H new ATOM 0 HG CYS A 60 -17.056 1.024 -25.339 1.00 1.00 H new ATOM 996 N PHE A 61 -20.019 2.507 -20.341 1.00 1.00 N ATOM 997 CA PHE A 61 -21.335 3.082 -20.119 1.00 1.00 C ATOM 998 C PHE A 61 -21.298 4.574 -20.455 1.00 1.00 C ATOM 999 O PHE A 61 -20.249 5.050 -20.913 1.00 1.00 O ATOM 1000 CB PHE A 61 -21.743 2.862 -18.649 1.00 1.00 C ATOM 1001 CG PHE A 61 -20.611 2.409 -17.737 1.00 1.00 C ATOM 1002 CD1 PHE A 61 -19.431 3.182 -17.634 1.00 1.00 C ATOM 1003 CD2 PHE A 61 -20.734 1.218 -16.984 1.00 1.00 C ATOM 1004 CE1 PHE A 61 -18.382 2.766 -16.786 1.00 1.00 C ATOM 1005 CE2 PHE A 61 -19.684 0.803 -16.136 1.00 1.00 C ATOM 1006 CZ PHE A 61 -18.509 1.577 -16.038 1.00 1.00 C ATOM 0 H PHE A 61 -19.432 2.470 -19.508 1.00 1.00 H new ATOM 0 HA PHE A 61 -22.071 2.599 -20.762 1.00 1.00 H new ATOM 0 HB2 PHE A 61 -22.157 3.791 -18.258 1.00 1.00 H new ATOM 0 HB3 PHE A 61 -22.539 2.119 -18.614 1.00 1.00 H new ATOM 0 HD1 PHE A 61 -19.332 4.093 -18.206 1.00 1.00 H new ATOM 0 HD2 PHE A 61 -21.633 0.625 -17.058 1.00 1.00 H new ATOM 0 HE1 PHE A 61 -17.482 3.358 -16.710 1.00 1.00 H new ATOM 0 HE2 PHE A 61 -19.781 -0.107 -15.562 1.00 1.00 H new ATOM 0 HZ PHE A 61 -17.706 1.259 -15.390 1.00 1.00 H new ATOM 1016 N VAL A 62 -22.425 5.271 -20.226 1.00 1.00 N ATOM 1017 CA VAL A 62 -22.521 6.694 -20.502 1.00 1.00 C ATOM 1018 C VAL A 62 -22.663 7.457 -19.184 1.00 1.00 C ATOM 1019 O VAL A 62 -23.559 7.116 -18.399 1.00 1.00 O ATOM 1020 CB VAL A 62 -23.670 6.963 -21.475 1.00 1.00 C ATOM 1021 CG1 VAL A 62 -23.808 8.459 -21.763 1.00 1.00 C ATOM 1022 CG2 VAL A 62 -23.488 6.170 -22.771 1.00 1.00 C ATOM 0 H VAL A 62 -23.279 4.860 -19.849 1.00 1.00 H new ATOM 0 HA VAL A 62 -21.612 7.050 -20.987 1.00 1.00 H new ATOM 0 HB VAL A 62 -24.593 6.627 -21.003 1.00 1.00 H new ATOM 0 HG11 VAL A 62 -24.632 8.621 -22.457 1.00 1.00 H new ATOM 0 HG12 VAL A 62 -24.007 8.992 -20.833 1.00 1.00 H new ATOM 0 HG13 VAL A 62 -22.883 8.831 -22.204 1.00 1.00 H new ATOM 0 HG21 VAL A 62 -24.318 6.379 -23.445 1.00 1.00 H new ATOM 0 HG22 VAL A 62 -22.552 6.461 -23.247 1.00 1.00 H new ATOM 0 HG23 VAL A 62 -23.464 5.104 -22.545 1.00 1.00 H new ATOM 1032 N LYS A 63 -21.791 8.459 -18.970 1.00 1.00 N ATOM 1033 CA LYS A 63 -21.820 9.260 -17.758 1.00 1.00 C ATOM 1034 C LYS A 63 -22.401 10.639 -18.077 1.00 1.00 C ATOM 1035 O LYS A 63 -22.041 11.204 -19.120 1.00 1.00 O ATOM 1036 CB LYS A 63 -20.432 9.311 -17.117 1.00 1.00 C ATOM 1037 CG LYS A 63 -19.451 10.090 -17.995 1.00 1.00 C ATOM 1038 CD LYS A 63 -18.031 9.534 -17.857 1.00 1.00 C ATOM 1039 CE LYS A 63 -17.583 8.851 -19.151 1.00 1.00 C ATOM 1040 NZ LYS A 63 -18.371 7.631 -19.389 1.00 1.00 N ATOM 0 H LYS A 63 -21.060 8.725 -19.630 1.00 1.00 H new ATOM 0 HA LYS A 63 -22.473 8.803 -17.014 1.00 1.00 H new ATOM 0 HB2 LYS A 63 -20.498 9.780 -16.135 1.00 1.00 H new ATOM 0 HB3 LYS A 63 -20.061 8.298 -16.962 1.00 1.00 H new ATOM 0 HG2 LYS A 63 -19.767 10.035 -19.037 1.00 1.00 H new ATOM 0 HG3 LYS A 63 -19.462 11.143 -17.713 1.00 1.00 H new ATOM 0 HD2 LYS A 63 -17.342 10.342 -17.611 1.00 1.00 H new ATOM 0 HD3 LYS A 63 -17.994 8.821 -17.033 1.00 1.00 H new ATOM 0 HE2 LYS A 63 -17.700 9.536 -19.990 1.00 1.00 H new ATOM 0 HE3 LYS A 63 -16.524 8.601 -19.089 1.00 1.00 H new ATOM 0 HZ1 LYS A 63 -17.844 6.996 -20.022 1.00 1.00 H new ATOM 0 HZ2 LYS A 63 -18.548 7.150 -18.484 1.00 1.00 H new ATOM 0 HZ3 LYS A 63 -19.278 7.884 -19.830 1.00 1.00 H new ATOM 1054 N ILE A 64 -23.275 11.144 -17.188 1.00 1.00 N ATOM 1055 CA ILE A 64 -23.897 12.444 -17.374 1.00 1.00 C ATOM 1056 C ILE A 64 -23.011 13.524 -16.750 1.00 1.00 C ATOM 1057 O ILE A 64 -22.898 13.553 -15.516 1.00 1.00 O ATOM 1058 CB ILE A 64 -25.328 12.434 -16.832 1.00 1.00 C ATOM 1059 CG1 ILE A 64 -26.127 11.265 -17.412 1.00 1.00 C ATOM 1060 CG2 ILE A 64 -26.017 13.778 -17.080 1.00 1.00 C ATOM 1061 CD1 ILE A 64 -26.350 10.178 -16.359 1.00 1.00 C ATOM 0 H ILE A 64 -23.560 10.661 -16.336 1.00 1.00 H new ATOM 0 HA ILE A 64 -23.983 12.677 -18.435 1.00 1.00 H new ATOM 0 HB ILE A 64 -25.283 12.289 -15.753 1.00 1.00 H new ATOM 0 HG12 ILE A 64 -27.089 11.624 -17.779 1.00 1.00 H new ATOM 0 HG13 ILE A 64 -25.596 10.845 -18.266 1.00 1.00 H new ATOM 0 HG21 ILE A 64 -27.033 13.745 -16.685 1.00 1.00 H new ATOM 0 HG22 ILE A 64 -25.460 14.570 -16.580 1.00 1.00 H new ATOM 0 HG23 ILE A 64 -26.050 13.978 -18.151 1.00 1.00 H new ATOM 0 HD11 ILE A 64 -26.920 9.359 -16.797 1.00 1.00 H new ATOM 0 HD12 ILE A 64 -25.387 9.805 -16.012 1.00 1.00 H new ATOM 0 HD13 ILE A 64 -26.902 10.595 -15.517 1.00 1.00 H new ATOM 1073 N PRO A 65 -22.410 14.375 -17.601 1.00 1.00 N ATOM 1074 CA PRO A 65 -21.538 15.455 -17.172 1.00 1.00 C ATOM 1075 C PRO A 65 -22.346 16.610 -16.579 1.00 1.00 C ATOM 1076 O PRO A 65 -21.735 17.529 -16.014 1.00 1.00 O ATOM 1077 CB PRO A 65 -20.761 15.851 -18.417 1.00 1.00 C ATOM 1078 CG PRO A 65 -21.552 15.302 -19.594 1.00 1.00 C ATOM 1079 CD PRO A 65 -22.566 14.309 -19.051 1.00 1.00 C ATOM 0 HA PRO A 65 -20.859 15.156 -16.373 1.00 1.00 H new ATOM 0 HB2 PRO A 65 -20.659 16.934 -18.486 1.00 1.00 H new ATOM 0 HB3 PRO A 65 -19.753 15.437 -18.397 1.00 1.00 H new ATOM 0 HG2 PRO A 65 -22.055 16.110 -20.126 1.00 1.00 H new ATOM 0 HG3 PRO A 65 -20.887 14.816 -20.308 1.00 1.00 H new ATOM 0 HD2 PRO A 65 -23.580 14.573 -19.353 1.00 1.00 H new ATOM 0 HD3 PRO A 65 -22.374 13.303 -19.424 1.00 1.00 H new ATOM 1087 N ARG A 66 -23.683 16.542 -16.716 1.00 1.00 N ATOM 1088 CA ARG A 66 -24.563 17.575 -16.197 1.00 1.00 C ATOM 1089 C ARG A 66 -26.007 17.251 -16.586 1.00 1.00 C ATOM 1090 O ARG A 66 -26.474 17.773 -17.609 1.00 1.00 O ATOM 1091 CB ARG A 66 -24.194 18.957 -16.741 1.00 1.00 C ATOM 1092 CG ARG A 66 -24.674 20.063 -15.800 1.00 1.00 C ATOM 1093 CD ARG A 66 -23.501 20.673 -15.028 1.00 1.00 C ATOM 1094 NE ARG A 66 -23.604 20.324 -13.593 1.00 1.00 N ATOM 1095 CZ ARG A 66 -24.427 20.944 -12.721 1.00 1.00 C ATOM 1096 NH1 ARG A 66 -25.208 21.940 -13.160 1.00 1.00 N ATOM 1097 NH2 ARG A 66 -24.462 20.568 -11.435 1.00 1.00 N ATOM 0 H ARG A 66 -24.167 15.776 -17.185 1.00 1.00 H new ATOM 0 HA ARG A 66 -24.454 17.597 -15.113 1.00 1.00 H new ATOM 0 HB2 ARG A 66 -23.113 19.025 -16.867 1.00 1.00 H new ATOM 0 HB3 ARG A 66 -24.639 19.095 -17.726 1.00 1.00 H new ATOM 0 HG2 ARG A 66 -25.180 20.840 -16.374 1.00 1.00 H new ATOM 0 HG3 ARG A 66 -25.404 19.658 -15.099 1.00 1.00 H new ATOM 0 HD2 ARG A 66 -22.558 20.306 -15.433 1.00 1.00 H new ATOM 0 HD3 ARG A 66 -23.500 21.756 -15.148 1.00 1.00 H new ATOM 0 HE ARG A 66 -23.017 19.568 -13.241 1.00 1.00 H new ATOM 0 HH11 ARG A 66 -25.175 22.220 -14.140 1.00 1.00 H new ATOM 0 HH12 ARG A 66 -25.835 22.419 -12.514 1.00 1.00 H new ATOM 0 HH21 ARG A 66 -23.864 19.809 -11.109 1.00 1.00 H new ATOM 0 HH22 ARG A 66 -25.087 21.041 -10.782 1.00 1.00 H new ATOM 1111 N GLU A 67 -26.674 16.410 -15.776 1.00 1.00 N ATOM 1112 CA GLU A 67 -28.051 16.023 -16.034 1.00 1.00 C ATOM 1113 C GLU A 67 -28.964 17.234 -15.831 1.00 1.00 C ATOM 1114 O GLU A 67 -28.643 18.078 -14.982 1.00 1.00 O ATOM 1115 CB GLU A 67 -28.482 14.855 -15.144 1.00 1.00 C ATOM 1116 CG GLU A 67 -29.216 13.787 -15.957 1.00 1.00 C ATOM 1117 CD GLU A 67 -30.662 13.632 -15.480 1.00 1.00 C ATOM 1118 OE1 GLU A 67 -30.993 14.045 -14.359 1.00 1.00 O ATOM 1119 OE2 GLU A 67 -31.455 13.059 -16.321 1.00 1.00 O ATOM 0 H GLU A 67 -26.271 15.990 -14.938 1.00 1.00 H new ATOM 0 HA GLU A 67 -28.131 15.682 -17.066 1.00 1.00 H new ATOM 0 HB2 GLU A 67 -27.607 14.415 -14.666 1.00 1.00 H new ATOM 0 HB3 GLU A 67 -29.130 15.220 -14.348 1.00 1.00 H new ATOM 0 HG2 GLU A 67 -29.205 14.057 -17.013 1.00 1.00 H new ATOM 0 HG3 GLU A 67 -28.695 12.834 -15.866 1.00 1.00 H new ATOM 1204 N GLY A 74 -23.742 13.519 -7.998 1.00 1.00 N ATOM 1205 CA GLY A 74 -23.007 12.475 -8.692 1.00 1.00 C ATOM 1206 C GLY A 74 -23.468 12.415 -10.149 1.00 1.00 C ATOM 1207 O GLY A 74 -23.464 13.463 -10.812 1.00 1.00 O ATOM 0 HA2 GLY A 74 -21.937 12.675 -8.645 1.00 1.00 H new ATOM 0 HA3 GLY A 74 -23.173 11.513 -8.206 1.00 1.00 H new ATOM 1211 N ASN A 75 -23.851 11.212 -10.611 1.00 1.00 N ATOM 1212 CA ASN A 75 -24.310 11.021 -11.976 1.00 1.00 C ATOM 1213 C ASN A 75 -24.940 9.633 -12.109 1.00 1.00 C ATOM 1214 O ASN A 75 -24.926 8.882 -11.122 1.00 1.00 O ATOM 1215 CB ASN A 75 -23.146 11.108 -12.966 1.00 1.00 C ATOM 1216 CG ASN A 75 -21.807 10.893 -12.258 1.00 1.00 C ATOM 1217 OD1 ASN A 75 -21.633 9.979 -11.469 1.00 1.00 O ATOM 1218 ND2 ASN A 75 -20.874 11.783 -12.583 1.00 1.00 N ATOM 0 H ASN A 75 -23.847 10.362 -10.048 1.00 1.00 H new ATOM 0 HA ASN A 75 -25.034 11.804 -12.200 1.00 1.00 H new ATOM 0 HB2 ASN A 75 -23.272 10.359 -13.748 1.00 1.00 H new ATOM 0 HB3 ASN A 75 -23.151 12.083 -13.454 1.00 1.00 H new ATOM 0 HD21 ASN A 75 -19.946 11.725 -12.164 1.00 1.00 H new ATOM 0 HD22 ASN A 75 -21.087 12.524 -13.251 1.00 1.00 H new ATOM 1225 N TYR A 76 -25.470 9.324 -13.306 1.00 1.00 N ATOM 1226 CA TYR A 76 -26.088 8.023 -13.496 1.00 1.00 C ATOM 1227 C TYR A 76 -25.485 7.352 -14.731 1.00 1.00 C ATOM 1228 O TYR A 76 -25.933 7.668 -15.843 1.00 1.00 O ATOM 1229 CB TYR A 76 -27.616 8.174 -13.614 1.00 1.00 C ATOM 1230 CG TYR A 76 -28.179 9.427 -12.957 1.00 1.00 C ATOM 1231 CD1 TYR A 76 -27.878 9.724 -11.607 1.00 1.00 C ATOM 1232 CD2 TYR A 76 -29.014 10.298 -13.694 1.00 1.00 C ATOM 1233 CE1 TYR A 76 -28.406 10.884 -11.002 1.00 1.00 C ATOM 1234 CE2 TYR A 76 -29.541 11.458 -13.088 1.00 1.00 C ATOM 1235 CZ TYR A 76 -29.237 11.753 -11.742 1.00 1.00 C ATOM 1236 OH TYR A 76 -29.749 12.877 -11.159 1.00 1.00 O ATOM 0 H TYR A 76 -25.479 9.938 -14.120 1.00 1.00 H new ATOM 0 HA TYR A 76 -25.890 7.387 -12.633 1.00 1.00 H new ATOM 0 HB2 TYR A 76 -27.887 8.179 -14.670 1.00 1.00 H new ATOM 0 HB3 TYR A 76 -28.090 7.300 -13.167 1.00 1.00 H new ATOM 0 HD1 TYR A 76 -27.243 9.061 -11.038 1.00 1.00 H new ATOM 0 HD2 TYR A 76 -29.249 10.075 -14.724 1.00 1.00 H new ATOM 0 HE1 TYR A 76 -28.174 11.108 -9.971 1.00 1.00 H new ATOM 0 HE2 TYR A 76 -30.178 12.121 -13.655 1.00 1.00 H new ATOM 0 HH TYR A 76 -30.298 13.362 -11.810 1.00 1.00 H new ATOM 1246 N TRP A 77 -24.496 6.465 -14.522 1.00 1.00 N ATOM 1247 CA TRP A 77 -23.839 5.772 -15.617 1.00 1.00 C ATOM 1248 C TRP A 77 -24.707 4.593 -16.062 1.00 1.00 C ATOM 1249 O TRP A 77 -25.177 3.846 -15.192 1.00 1.00 O ATOM 1250 CB TRP A 77 -22.426 5.353 -15.208 1.00 1.00 C ATOM 1251 CG TRP A 77 -21.500 6.525 -14.876 1.00 1.00 C ATOM 1252 CD1 TRP A 77 -21.839 7.746 -14.439 1.00 1.00 C ATOM 1253 CD2 TRP A 77 -20.060 6.538 -14.974 1.00 1.00 C ATOM 1254 NE1 TRP A 77 -20.728 8.541 -14.248 1.00 1.00 N ATOM 1255 CE2 TRP A 77 -19.612 7.784 -14.583 1.00 1.00 C ATOM 1256 CE3 TRP A 77 -19.167 5.531 -15.378 1.00 1.00 C ATOM 1257 CZ2 TRP A 77 -18.258 8.138 -14.559 1.00 1.00 C ATOM 1258 CZ3 TRP A 77 -17.817 5.901 -15.348 1.00 1.00 C ATOM 1259 CH2 TRP A 77 -17.349 7.150 -14.958 1.00 1.00 C ATOM 0 H TRP A 77 -24.142 6.219 -13.598 1.00 1.00 H new ATOM 0 HA TRP A 77 -23.727 6.437 -16.473 1.00 1.00 H new ATOM 0 HB2 TRP A 77 -22.490 4.697 -14.340 1.00 1.00 H new ATOM 0 HB3 TRP A 77 -21.983 4.771 -16.016 1.00 1.00 H new ATOM 0 HD1 TRP A 77 -22.854 8.067 -14.259 1.00 1.00 H new ATOM 0 HE1 TRP A 77 -20.726 9.507 -13.921 1.00 1.00 H new ATOM 0 HE3 TRP A 77 -19.496 4.550 -15.687 1.00 1.00 H new ATOM 0 HZ2 TRP A 77 -17.932 9.120 -14.250 1.00 1.00 H new ATOM 0 HZ3 TRP A 77 -17.088 5.164 -15.649 1.00 1.00 H new ATOM 0 HH2 TRP A 77 -16.289 7.358 -14.963 1.00 1.00 H new ATOM 1270 N THR A 78 -24.898 4.451 -17.386 1.00 1.00 N ATOM 1271 CA THR A 78 -25.701 3.373 -17.937 1.00 1.00 C ATOM 1272 C THR A 78 -24.838 2.529 -18.876 1.00 1.00 C ATOM 1273 O THR A 78 -24.122 3.112 -19.703 1.00 1.00 O ATOM 1274 CB THR A 78 -26.929 3.979 -18.621 1.00 1.00 C ATOM 1275 OG1 THR A 78 -26.389 4.973 -19.488 1.00 1.00 O ATOM 1276 CG2 THR A 78 -27.809 4.770 -17.650 1.00 1.00 C ATOM 0 H THR A 78 -24.501 5.077 -18.086 1.00 1.00 H new ATOM 0 HA THR A 78 -26.061 2.702 -17.157 1.00 1.00 H new ATOM 0 HB THR A 78 -27.517 3.185 -19.080 1.00 1.00 H new ATOM 0 HG1 THR A 78 -25.468 4.736 -19.724 1.00 1.00 H new ATOM 0 HG21 THR A 78 -28.666 5.179 -18.186 1.00 1.00 H new ATOM 0 HG22 THR A 78 -28.159 4.110 -16.856 1.00 1.00 H new ATOM 0 HG23 THR A 78 -27.230 5.585 -17.216 1.00 1.00 H new ATOM 1284 N LEU A 79 -24.921 1.194 -18.733 1.00 1.00 N ATOM 1285 CA LEU A 79 -24.153 0.281 -19.562 1.00 1.00 C ATOM 1286 C LEU A 79 -24.711 0.301 -20.987 1.00 1.00 C ATOM 1287 O LEU A 79 -25.939 0.226 -21.140 1.00 1.00 O ATOM 1288 CB LEU A 79 -24.119 -1.114 -18.935 1.00 1.00 C ATOM 1289 CG LEU A 79 -22.750 -1.603 -18.460 1.00 1.00 C ATOM 1290 CD1 LEU A 79 -22.714 -1.738 -16.936 1.00 1.00 C ATOM 1291 CD2 LEU A 79 -22.359 -2.906 -19.160 1.00 1.00 C ATOM 0 H LEU A 79 -25.518 0.734 -18.045 1.00 1.00 H new ATOM 0 HA LEU A 79 -23.114 0.604 -19.621 1.00 1.00 H new ATOM 0 HB2 LEU A 79 -24.802 -1.125 -18.085 1.00 1.00 H new ATOM 0 HB3 LEU A 79 -24.505 -1.827 -19.663 1.00 1.00 H new ATOM 0 HG LEU A 79 -22.007 -0.855 -18.735 1.00 1.00 H new ATOM 0 HD11 LEU A 79 -21.729 -2.087 -16.625 1.00 1.00 H new ATOM 0 HD12 LEU A 79 -22.916 -0.769 -16.480 1.00 1.00 H new ATOM 0 HD13 LEU A 79 -23.471 -2.454 -16.616 1.00 1.00 H new ATOM 0 HD21 LEU A 79 -21.382 -3.231 -18.804 1.00 1.00 H new ATOM 0 HD22 LEU A 79 -23.100 -3.674 -18.939 1.00 1.00 H new ATOM 0 HD23 LEU A 79 -22.317 -2.742 -20.237 1.00 1.00 H new ATOM 1303 N ASP A 80 -23.813 0.400 -21.984 1.00 1.00 N ATOM 1304 CA ASP A 80 -24.213 0.429 -23.380 1.00 1.00 C ATOM 1305 C ASP A 80 -24.733 -0.952 -23.786 1.00 1.00 C ATOM 1306 O ASP A 80 -23.956 -1.915 -23.729 1.00 1.00 O ATOM 1307 CB ASP A 80 -23.029 0.773 -24.285 1.00 1.00 C ATOM 1308 CG ASP A 80 -22.115 -0.405 -24.631 1.00 1.00 C ATOM 1309 OD1 ASP A 80 -21.461 -0.985 -23.751 1.00 1.00 O ATOM 1310 OD2 ASP A 80 -22.090 -0.728 -25.879 1.00 1.00 O ATOM 0 H ASP A 80 -22.806 0.461 -21.836 1.00 1.00 H new ATOM 0 HA ASP A 80 -24.986 1.189 -23.493 1.00 1.00 H new ATOM 0 HB2 ASP A 80 -23.412 1.201 -25.212 1.00 1.00 H new ATOM 0 HB3 ASP A 80 -22.433 1.546 -23.800 1.00 1.00 H new