USER MOD reduce.3.24.130724 H: found=0, std=0, add=455, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 382 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 Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc=-0.00428 X(o=-0.0043,f=-0.37) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 160:sc= -0.763 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 160:sc= -0.0751 (180deg=-0.457) USER MOD Single : A 43 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.579) USER MOD Single : A 54 GLN : amide:sc= -0.0391 X(o=-0.039,f=0) USER MOD Single : A 57 HIS : no HD1:sc= -0.363 K(o=-0.36,f=-1.4) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl 175:sc= 0 (180deg=-0.0092) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.00329) USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 100 N PHE A 9 13.090 3.630 -29.157 1.00 0.00 N ATOM 101 CA PHE A 9 13.263 4.098 -27.786 1.00 0.00 C ATOM 102 C PHE A 9 12.044 3.752 -26.936 1.00 0.00 C ATOM 103 O PHE A 9 12.136 3.654 -25.712 1.00 0.00 O ATOM 104 CB PHE A 9 13.499 5.610 -27.768 1.00 0.00 C ATOM 105 CG PHE A 9 14.759 6.010 -27.054 1.00 0.00 C ATOM 106 CD1 PHE A 9 15.989 5.521 -27.464 1.00 0.00 C ATOM 107 CD2 PHE A 9 14.713 6.877 -25.974 1.00 0.00 C ATOM 108 CE1 PHE A 9 17.149 5.888 -26.810 1.00 0.00 C ATOM 109 CE2 PHE A 9 15.871 7.248 -25.317 1.00 0.00 C ATOM 110 CZ PHE A 9 17.089 6.752 -25.734 1.00 0.00 C ATOM 0 HA PHE A 9 14.133 3.596 -27.363 1.00 0.00 H new ATOM 0 HB2 PHE A 9 13.540 5.976 -28.794 1.00 0.00 H new ATOM 0 HB3 PHE A 9 12.649 6.097 -27.290 1.00 0.00 H new ATOM 0 HD1 PHE A 9 16.041 4.845 -28.305 1.00 0.00 H new ATOM 0 HD2 PHE A 9 13.762 7.267 -25.642 1.00 0.00 H new ATOM 0 HE1 PHE A 9 18.101 5.500 -27.139 1.00 0.00 H new ATOM 0 HE2 PHE A 9 15.822 7.926 -24.478 1.00 0.00 H new ATOM 0 HZ PHE A 9 17.994 7.039 -25.220 1.00 0.00 H new ATOM 119 N GLY A 10 10.905 3.567 -27.594 1.00 0.00 N ATOM 120 CA GLY A 10 9.683 3.235 -26.883 1.00 0.00 C ATOM 121 C GLY A 10 9.788 1.922 -26.132 1.00 0.00 C ATOM 122 O GLY A 10 9.565 1.872 -24.922 1.00 0.00 O ATOM 0 H GLY A 10 10.805 3.641 -28.606 1.00 0.00 H new ATOM 0 HA2 GLY A 10 9.446 4.034 -26.180 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.857 3.179 -27.592 1.00 0.00 H new ATOM 126 N GLU A 11 10.130 0.857 -26.849 1.00 0.00 N ATOM 127 CA GLU A 11 10.262 -0.462 -26.242 1.00 0.00 C ATOM 128 C GLU A 11 11.199 -0.416 -25.039 1.00 0.00 C ATOM 129 O GLU A 11 10.934 -1.033 -24.007 1.00 0.00 O ATOM 130 CB GLU A 11 10.783 -1.470 -27.268 1.00 0.00 C ATOM 131 CG GLU A 11 11.899 -0.927 -28.144 1.00 0.00 C ATOM 132 CD GLU A 11 12.592 -2.010 -28.947 1.00 0.00 C ATOM 133 OE1 GLU A 11 11.911 -2.976 -29.354 1.00 0.00 O ATOM 134 OE2 GLU A 11 13.815 -1.893 -29.169 1.00 0.00 O ATOM 0 H GLU A 11 10.321 0.882 -27.851 1.00 0.00 H new ATOM 0 HA GLU A 11 9.276 -0.777 -25.901 1.00 0.00 H new ATOM 0 HB2 GLU A 11 11.142 -2.356 -26.744 1.00 0.00 H new ATOM 0 HB3 GLU A 11 9.957 -1.789 -27.903 1.00 0.00 H new ATOM 0 HG2 GLU A 11 11.490 -0.181 -28.825 1.00 0.00 H new ATOM 0 HG3 GLU A 11 12.632 -0.419 -27.518 1.00 0.00 H new ATOM 139 N LYS A 12 12.296 0.320 -25.177 1.00 0.00 N ATOM 140 CA LYS A 12 13.274 0.449 -24.104 1.00 0.00 C ATOM 141 C LYS A 12 12.714 1.286 -22.957 1.00 0.00 C ATOM 142 O LYS A 12 12.864 0.932 -21.788 1.00 0.00 O ATOM 143 CB LYS A 12 14.562 1.084 -24.631 1.00 0.00 C ATOM 144 CG LYS A 12 15.079 0.440 -25.906 1.00 0.00 C ATOM 145 CD LYS A 12 16.586 0.261 -25.869 1.00 0.00 C ATOM 146 CE LYS A 12 17.206 0.442 -27.246 1.00 0.00 C ATOM 147 NZ LYS A 12 18.490 -0.298 -27.378 1.00 0.00 N ATOM 0 H LYS A 12 12.530 0.838 -26.024 1.00 0.00 H new ATOM 0 HA LYS A 12 13.498 -0.549 -23.728 1.00 0.00 H new ATOM 0 HB2 LYS A 12 14.386 2.144 -24.815 1.00 0.00 H new ATOM 0 HB3 LYS A 12 15.332 1.017 -23.862 1.00 0.00 H new ATOM 0 HG2 LYS A 12 14.600 -0.529 -26.045 1.00 0.00 H new ATOM 0 HG3 LYS A 12 14.806 1.056 -26.763 1.00 0.00 H new ATOM 0 HD2 LYS A 12 17.021 0.981 -25.176 1.00 0.00 H new ATOM 0 HD3 LYS A 12 16.826 -0.732 -25.489 1.00 0.00 H new ATOM 0 HE2 LYS A 12 16.507 0.095 -28.007 1.00 0.00 H new ATOM 0 HE3 LYS A 12 17.378 1.503 -27.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 18.880 -0.149 -28.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 19.166 0.050 -26.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 18.323 -1.313 -27.228 1.00 0.00 H new ATOM 157 N ALA A 13 12.068 2.396 -23.301 1.00 0.00 N ATOM 158 CA ALA A 13 11.484 3.280 -22.300 1.00 0.00 C ATOM 159 C ALA A 13 10.577 2.509 -21.348 1.00 0.00 C ATOM 160 O ALA A 13 10.722 2.597 -20.129 1.00 0.00 O ATOM 161 CB ALA A 13 10.710 4.403 -22.976 1.00 0.00 C ATOM 0 H ALA A 13 11.936 2.704 -24.264 1.00 0.00 H new ATOM 0 HA ALA A 13 12.296 3.713 -21.715 1.00 0.00 H new ATOM 0 HB1 ALA A 13 10.279 5.056 -22.217 1.00 0.00 H new ATOM 0 HB2 ALA A 13 11.384 4.979 -23.610 1.00 0.00 H new ATOM 0 HB3 ALA A 13 9.912 3.979 -23.586 1.00 0.00 H new ATOM 167 N SER A 14 9.640 1.752 -21.912 1.00 0.00 N ATOM 168 CA SER A 14 8.706 0.968 -21.113 1.00 0.00 C ATOM 169 C SER A 14 9.447 -0.069 -20.275 1.00 0.00 C ATOM 170 O SER A 14 8.980 -0.466 -19.208 1.00 0.00 O ATOM 171 CB SER A 14 7.685 0.275 -22.017 1.00 0.00 C ATOM 172 OG SER A 14 6.427 0.922 -21.953 1.00 0.00 O ATOM 0 H SER A 14 9.508 1.666 -22.920 1.00 0.00 H new ATOM 0 HA SER A 14 8.182 1.647 -20.440 1.00 0.00 H new ATOM 0 HB2 SER A 14 8.046 0.275 -23.046 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.577 -0.767 -21.717 1.00 0.00 H new ATOM 0 HG SER A 14 5.792 0.462 -22.541 1.00 0.00 H new ATOM 177 N GLU A 15 10.604 -0.502 -20.766 1.00 0.00 N ATOM 178 CA GLU A 15 11.409 -1.493 -20.061 1.00 0.00 C ATOM 179 C GLU A 15 12.190 -0.849 -18.921 1.00 0.00 C ATOM 180 O GLU A 15 12.402 -1.463 -17.876 1.00 0.00 O ATOM 181 CB GLU A 15 12.373 -2.181 -21.031 1.00 0.00 C ATOM 182 CG GLU A 15 11.705 -3.213 -21.924 1.00 0.00 C ATOM 183 CD GLU A 15 12.341 -4.585 -21.805 1.00 0.00 C ATOM 184 OE1 GLU A 15 12.530 -5.054 -20.664 1.00 0.00 O ATOM 185 OE2 GLU A 15 12.648 -5.188 -22.855 1.00 0.00 O ATOM 0 H GLU A 15 11.005 -0.183 -21.648 1.00 0.00 H new ATOM 0 HA GLU A 15 10.735 -2.238 -19.639 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.847 -1.425 -21.656 1.00 0.00 H new ATOM 0 HB3 GLU A 15 13.165 -2.665 -20.460 1.00 0.00 H new ATOM 0 HG2 GLU A 15 10.648 -3.283 -21.665 1.00 0.00 H new ATOM 0 HG3 GLU A 15 11.758 -2.880 -22.961 1.00 0.00 H new ATOM 190 N ALA A 16 12.617 0.392 -19.130 1.00 0.00 N ATOM 191 CA ALA A 16 13.372 1.121 -18.118 1.00 0.00 C ATOM 192 C ALA A 16 12.530 1.362 -16.871 1.00 0.00 C ATOM 193 O ALA A 16 12.928 1.004 -15.760 1.00 0.00 O ATOM 194 CB ALA A 16 13.871 2.442 -18.683 1.00 0.00 C ATOM 0 H ALA A 16 12.453 0.914 -19.991 1.00 0.00 H new ATOM 0 HA ALA A 16 14.230 0.512 -17.832 1.00 0.00 H new ATOM 0 HB1 ALA A 16 14.433 2.976 -17.917 1.00 0.00 H new ATOM 0 HB2 ALA A 16 14.517 2.250 -19.540 1.00 0.00 H new ATOM 0 HB3 ALA A 16 13.021 3.047 -18.998 1.00 0.00 H new ATOM 200 N LEU A 17 11.364 1.971 -17.058 1.00 0.00 N ATOM 201 CA LEU A 17 10.465 2.261 -15.946 1.00 0.00 C ATOM 202 C LEU A 17 10.092 0.984 -15.200 1.00 0.00 C ATOM 203 O LEU A 17 10.024 0.967 -13.971 1.00 0.00 O ATOM 204 CB LEU A 17 9.201 2.956 -16.454 1.00 0.00 C ATOM 205 CG LEU A 17 8.320 2.139 -17.402 1.00 0.00 C ATOM 206 CD1 LEU A 17 7.299 1.330 -16.615 1.00 0.00 C ATOM 207 CD2 LEU A 17 7.627 3.050 -18.404 1.00 0.00 C ATOM 0 H LEU A 17 11.019 2.274 -17.969 1.00 0.00 H new ATOM 0 HA LEU A 17 10.984 2.925 -15.255 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.600 3.248 -15.593 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.495 3.874 -16.964 1.00 0.00 H new ATOM 0 HG LEU A 17 8.955 1.446 -17.953 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.681 0.755 -17.304 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.817 0.650 -15.939 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.667 2.005 -16.038 1.00 0.00 H new ATOM 0 HD21 LEU A 17 7.005 2.452 -19.070 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.003 3.768 -17.872 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.376 3.584 -18.989 1.00 0.00 H new ATOM 218 N LYS A 18 9.853 -0.086 -15.952 1.00 0.00 N ATOM 219 CA LYS A 18 9.491 -1.370 -15.363 1.00 0.00 C ATOM 220 C LYS A 18 10.703 -2.035 -14.718 1.00 0.00 C ATOM 221 O LYS A 18 11.852 -1.712 -15.023 1.00 0.00 O ATOM 222 CB LYS A 18 8.896 -2.292 -16.428 1.00 0.00 C ATOM 223 CG LYS A 18 7.394 -2.481 -16.300 1.00 0.00 C ATOM 224 CD LYS A 18 7.009 -3.950 -16.364 1.00 0.00 C ATOM 225 CE LYS A 18 6.797 -4.409 -17.798 1.00 0.00 C ATOM 226 NZ LYS A 18 7.012 -5.876 -17.949 1.00 0.00 N ATOM 0 H LYS A 18 9.904 -0.089 -16.971 1.00 0.00 H new ATOM 0 HA LYS A 18 8.745 -1.189 -14.589 1.00 0.00 H new ATOM 0 HB2 LYS A 18 9.120 -1.885 -17.414 1.00 0.00 H new ATOM 0 HB3 LYS A 18 9.383 -3.265 -16.367 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.052 -2.055 -15.357 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.889 -1.936 -17.098 1.00 0.00 H new ATOM 0 HD2 LYS A 18 7.790 -4.552 -15.900 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.097 -4.113 -15.790 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.785 -4.156 -18.114 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.480 -3.872 -18.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 6.858 -6.149 -18.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.985 -6.115 -17.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.343 -6.389 -17.341 1.00 0.00 H new ATOM 311 N TYR A 25 24.841 -6.824 -15.662 1.00 0.00 N ATOM 312 CA TYR A 25 25.598 -5.988 -16.586 1.00 0.00 C ATOM 313 C TYR A 25 24.784 -4.770 -17.011 1.00 0.00 C ATOM 314 O TYR A 25 25.333 -3.690 -17.234 1.00 0.00 O ATOM 315 CB TYR A 25 26.009 -6.797 -17.817 1.00 0.00 C ATOM 316 CG TYR A 25 27.480 -7.143 -17.852 1.00 0.00 C ATOM 317 CD1 TYR A 25 28.044 -7.962 -16.882 1.00 0.00 C ATOM 318 CD2 TYR A 25 28.306 -6.649 -18.854 1.00 0.00 C ATOM 319 CE1 TYR A 25 29.388 -8.280 -16.909 1.00 0.00 C ATOM 320 CE2 TYR A 25 29.651 -6.963 -18.891 1.00 0.00 C ATOM 321 CZ TYR A 25 30.187 -7.779 -17.915 1.00 0.00 C ATOM 322 OH TYR A 25 31.527 -8.093 -17.946 1.00 0.00 O ATOM 0 HA TYR A 25 26.494 -5.641 -16.072 1.00 0.00 H new ATOM 0 HB2 TYR A 25 25.427 -7.718 -17.847 1.00 0.00 H new ATOM 0 HB3 TYR A 25 25.756 -6.231 -18.714 1.00 0.00 H new ATOM 0 HD1 TYR A 25 27.421 -8.357 -16.093 1.00 0.00 H new ATOM 0 HD2 TYR A 25 27.889 -6.008 -19.617 1.00 0.00 H new ATOM 0 HE1 TYR A 25 29.811 -8.917 -16.146 1.00 0.00 H new ATOM 0 HE2 TYR A 25 30.279 -6.573 -19.678 1.00 0.00 H new ATOM 0 HH TYR A 25 31.946 -7.661 -18.719 1.00 0.00 H new ATOM 331 N ALA A 26 23.472 -4.952 -17.122 1.00 0.00 N ATOM 332 CA ALA A 26 22.582 -3.867 -17.517 1.00 0.00 C ATOM 333 C ALA A 26 22.811 -2.627 -16.660 1.00 0.00 C ATOM 334 O ALA A 26 22.896 -1.514 -17.175 1.00 0.00 O ATOM 335 CB ALA A 26 21.130 -4.316 -17.422 1.00 0.00 C ATOM 0 H ALA A 26 23.002 -5.840 -16.944 1.00 0.00 H new ATOM 0 HA ALA A 26 22.805 -3.606 -18.552 1.00 0.00 H new ATOM 0 HB1 ALA A 26 20.476 -3.497 -17.720 1.00 0.00 H new ATOM 0 HB2 ALA A 26 20.969 -5.168 -18.083 1.00 0.00 H new ATOM 0 HB3 ALA A 26 20.905 -4.605 -16.395 1.00 0.00 H new ATOM 341 N GLU A 27 22.911 -2.829 -15.350 1.00 0.00 N ATOM 342 CA GLU A 27 23.129 -1.726 -14.422 1.00 0.00 C ATOM 343 C GLU A 27 24.588 -1.282 -14.439 1.00 0.00 C ATOM 344 O GLU A 27 24.887 -0.092 -14.331 1.00 0.00 O ATOM 345 CB GLU A 27 22.726 -2.135 -13.004 1.00 0.00 C ATOM 346 CG GLU A 27 21.482 -1.425 -12.495 1.00 0.00 C ATOM 347 CD GLU A 27 21.797 -0.092 -11.844 1.00 0.00 C ATOM 348 OE1 GLU A 27 22.535 0.708 -12.457 1.00 0.00 O ATOM 349 OE2 GLU A 27 21.306 0.151 -10.722 1.00 0.00 O ATOM 0 H GLU A 27 22.845 -3.746 -14.908 1.00 0.00 H new ATOM 0 HA GLU A 27 22.508 -0.889 -14.741 1.00 0.00 H new ATOM 0 HB2 GLU A 27 22.555 -3.211 -12.980 1.00 0.00 H new ATOM 0 HB3 GLU A 27 23.554 -1.929 -12.326 1.00 0.00 H new ATOM 0 HG2 GLU A 27 20.793 -1.266 -13.325 1.00 0.00 H new ATOM 0 HG3 GLU A 27 20.972 -2.065 -11.775 1.00 0.00 H new ATOM 354 N GLN A 28 25.493 -2.244 -14.578 1.00 0.00 N ATOM 355 CA GLN A 28 26.921 -1.953 -14.609 1.00 0.00 C ATOM 356 C GLN A 28 27.247 -0.940 -15.700 1.00 0.00 C ATOM 357 O GLN A 28 27.900 0.072 -15.448 1.00 0.00 O ATOM 358 CB GLN A 28 27.721 -3.238 -14.834 1.00 0.00 C ATOM 359 CG GLN A 28 27.448 -4.314 -13.795 1.00 0.00 C ATOM 360 CD GLN A 28 28.511 -5.394 -13.782 1.00 0.00 C ATOM 361 OE1 GLN A 28 29.707 -5.104 -13.789 1.00 0.00 O ATOM 362 NE2 GLN A 28 28.079 -6.650 -13.762 1.00 0.00 N ATOM 0 H GLN A 28 25.263 -3.233 -14.671 1.00 0.00 H new ATOM 0 HA GLN A 28 27.199 -1.524 -13.646 1.00 0.00 H new ATOM 0 HB2 GLN A 28 27.489 -3.632 -15.823 1.00 0.00 H new ATOM 0 HB3 GLN A 28 28.785 -3.000 -14.828 1.00 0.00 H new ATOM 0 HG2 GLN A 28 27.390 -3.855 -12.808 1.00 0.00 H new ATOM 0 HG3 GLN A 28 26.477 -4.767 -13.993 1.00 0.00 H new ATOM 0 HE21 GLN A 28 27.078 -6.845 -13.757 1.00 0.00 H new ATOM 0 HE22 GLN A 28 28.748 -7.419 -13.752 1.00 0.00 H new ATOM 369 N GLY A 29 26.788 -1.220 -16.917 1.00 0.00 N ATOM 370 CA GLY A 29 27.041 -0.323 -18.030 1.00 0.00 C ATOM 371 C GLY A 29 26.458 1.058 -17.806 1.00 0.00 C ATOM 372 O GLY A 29 27.154 2.064 -17.939 1.00 0.00 O ATOM 0 H GLY A 29 26.246 -2.052 -17.151 1.00 0.00 H new ATOM 0 HA2 GLY A 29 28.116 -0.239 -18.188 1.00 0.00 H new ATOM 0 HA3 GLY A 29 26.618 -0.749 -18.940 1.00 0.00 H new ATOM 376 N LYS A 30 25.174 1.108 -17.466 1.00 0.00 N ATOM 377 CA LYS A 30 24.495 2.376 -17.223 1.00 0.00 C ATOM 378 C LYS A 30 25.285 3.236 -16.239 1.00 0.00 C ATOM 379 O LYS A 30 25.644 4.371 -16.547 1.00 0.00 O ATOM 380 CB LYS A 30 23.086 2.127 -16.682 1.00 0.00 C ATOM 381 CG LYS A 30 22.202 1.336 -17.629 1.00 0.00 C ATOM 382 CD LYS A 30 21.038 0.689 -16.897 1.00 0.00 C ATOM 383 CE LYS A 30 19.748 1.469 -17.100 1.00 0.00 C ATOM 384 NZ LYS A 30 18.804 0.754 -18.002 1.00 0.00 N ATOM 0 H LYS A 30 24.583 0.285 -17.352 1.00 0.00 H new ATOM 0 HA LYS A 30 24.425 2.910 -18.170 1.00 0.00 H new ATOM 0 HB2 LYS A 30 23.159 1.593 -15.735 1.00 0.00 H new ATOM 0 HB3 LYS A 30 22.612 3.086 -16.471 1.00 0.00 H new ATOM 0 HG2 LYS A 30 21.821 1.996 -18.409 1.00 0.00 H new ATOM 0 HG3 LYS A 30 22.795 0.567 -18.124 1.00 0.00 H new ATOM 0 HD2 LYS A 30 20.906 -0.333 -17.253 1.00 0.00 H new ATOM 0 HD3 LYS A 30 21.264 0.629 -15.832 1.00 0.00 H new ATOM 0 HE2 LYS A 30 19.270 1.638 -16.135 1.00 0.00 H new ATOM 0 HE3 LYS A 30 19.978 2.449 -17.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 17.937 1.318 -18.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 19.250 0.615 -18.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 18.564 -0.171 -17.591 1.00 0.00 H new ATOM 394 N GLU A 31 25.551 2.685 -15.060 1.00 0.00 N ATOM 395 CA GLU A 31 26.298 3.403 -14.034 1.00 0.00 C ATOM 396 C GLU A 31 27.700 3.752 -14.525 1.00 0.00 C ATOM 397 O GLU A 31 28.301 4.728 -14.079 1.00 0.00 O ATOM 398 CB GLU A 31 26.388 2.565 -12.757 1.00 0.00 C ATOM 399 CG GLU A 31 25.032 2.189 -12.179 1.00 0.00 C ATOM 400 CD GLU A 31 24.477 3.255 -11.253 1.00 0.00 C ATOM 401 OE1 GLU A 31 24.165 4.361 -11.742 1.00 0.00 O ATOM 402 OE2 GLU A 31 24.355 2.982 -10.040 1.00 0.00 O ATOM 0 H GLU A 31 25.261 1.745 -14.791 1.00 0.00 H new ATOM 0 HA GLU A 31 25.767 4.329 -13.816 1.00 0.00 H new ATOM 0 HB2 GLU A 31 26.949 1.654 -12.969 1.00 0.00 H new ATOM 0 HB3 GLU A 31 26.952 3.120 -12.007 1.00 0.00 H new ATOM 0 HG2 GLU A 31 24.328 2.019 -12.994 1.00 0.00 H new ATOM 0 HG3 GLU A 31 25.121 1.250 -11.633 1.00 0.00 H new ATOM 407 N TYR A 32 28.215 2.945 -15.446 1.00 0.00 N ATOM 408 CA TYR A 32 29.547 3.165 -15.997 1.00 0.00 C ATOM 409 C TYR A 32 29.599 4.465 -16.794 1.00 0.00 C ATOM 410 O TYR A 32 30.522 5.264 -16.642 1.00 0.00 O ATOM 411 CB TYR A 32 29.954 1.989 -16.887 1.00 0.00 C ATOM 412 CG TYR A 32 31.393 2.050 -17.347 1.00 0.00 C ATOM 413 CD1 TYR A 32 31.739 2.700 -18.525 1.00 0.00 C ATOM 414 CD2 TYR A 32 32.406 1.454 -16.606 1.00 0.00 C ATOM 415 CE1 TYR A 32 33.054 2.757 -18.950 1.00 0.00 C ATOM 416 CE2 TYR A 32 33.722 1.507 -17.022 1.00 0.00 C ATOM 417 CZ TYR A 32 34.040 2.159 -18.196 1.00 0.00 C ATOM 418 OH TYR A 32 35.350 2.213 -18.615 1.00 0.00 O ATOM 0 H TYR A 32 27.730 2.132 -15.827 1.00 0.00 H new ATOM 0 HA TYR A 32 30.249 3.242 -15.166 1.00 0.00 H new ATOM 0 HB2 TYR A 32 29.794 1.059 -16.342 1.00 0.00 H new ATOM 0 HB3 TYR A 32 29.303 1.962 -17.760 1.00 0.00 H new ATOM 0 HD1 TYR A 32 30.968 3.169 -19.119 1.00 0.00 H new ATOM 0 HD2 TYR A 32 32.160 0.940 -15.688 1.00 0.00 H new ATOM 0 HE1 TYR A 32 33.306 3.267 -19.868 1.00 0.00 H new ATOM 0 HE2 TYR A 32 34.497 1.041 -16.432 1.00 0.00 H new ATOM 0 HH TYR A 32 35.919 1.744 -17.970 1.00 0.00 H new ATOM 427 N ILE A 33 28.600 4.667 -17.647 1.00 0.00 N ATOM 428 CA ILE A 33 28.529 5.869 -18.469 1.00 0.00 C ATOM 429 C ILE A 33 28.241 7.100 -17.618 1.00 0.00 C ATOM 430 O ILE A 33 28.918 8.123 -17.732 1.00 0.00 O ATOM 431 CB ILE A 33 27.447 5.746 -19.556 1.00 0.00 C ATOM 432 CG1 ILE A 33 27.444 4.334 -20.147 1.00 0.00 C ATOM 433 CG2 ILE A 33 27.671 6.782 -20.648 1.00 0.00 C ATOM 434 CD1 ILE A 33 26.835 4.257 -21.531 1.00 0.00 C ATOM 0 H ILE A 33 27.829 4.014 -17.787 1.00 0.00 H new ATOM 0 HA ILE A 33 29.502 5.980 -18.948 1.00 0.00 H new ATOM 0 HB ILE A 33 26.474 5.931 -19.101 1.00 0.00 H new ATOM 0 HG12 ILE A 33 28.469 3.965 -20.189 1.00 0.00 H new ATOM 0 HG13 ILE A 33 26.893 3.671 -19.480 1.00 0.00 H new ATOM 0 HG21 ILE A 33 26.897 6.682 -21.409 1.00 0.00 H new ATOM 0 HG22 ILE A 33 27.627 7.782 -20.216 1.00 0.00 H new ATOM 0 HG23 ILE A 33 28.649 6.626 -21.102 1.00 0.00 H new ATOM 0 HD11 ILE A 33 26.867 3.227 -21.886 1.00 0.00 H new ATOM 0 HD12 ILE A 33 25.800 4.595 -21.492 1.00 0.00 H new ATOM 0 HD13 ILE A 33 27.399 4.893 -22.213 1.00 0.00 H new ATOM 445 N THR A 34 27.230 6.996 -16.760 1.00 0.00 N ATOM 446 CA THR A 34 26.851 8.100 -15.887 1.00 0.00 C ATOM 447 C THR A 34 28.061 8.660 -15.150 1.00 0.00 C ATOM 448 O THR A 34 28.295 9.868 -15.146 1.00 0.00 O ATOM 449 CB THR A 34 25.793 7.666 -14.857 1.00 0.00 C ATOM 450 OG1 THR A 34 26.282 6.559 -14.090 1.00 0.00 O ATOM 451 CG2 THR A 34 24.493 7.275 -15.546 1.00 0.00 C ATOM 0 H THR A 34 26.659 6.158 -16.651 1.00 0.00 H new ATOM 0 HA THR A 34 26.428 8.875 -16.526 1.00 0.00 H new ATOM 0 HB THR A 34 25.596 8.509 -14.195 1.00 0.00 H new ATOM 0 HG1 THR A 34 25.775 6.491 -13.254 1.00 0.00 H new ATOM 0 HG21 THR A 34 23.761 6.972 -14.797 1.00 0.00 H new ATOM 0 HG22 THR A 34 24.108 8.127 -16.106 1.00 0.00 H new ATOM 0 HG23 THR A 34 24.678 6.446 -16.229 1.00 0.00 H new ATOM 459 N ASP A 35 28.830 7.772 -14.527 1.00 0.00 N ATOM 460 CA ASP A 35 30.020 8.178 -13.787 1.00 0.00 C ATOM 461 C ASP A 35 30.976 8.961 -14.681 1.00 0.00 C ATOM 462 O ASP A 35 31.651 9.884 -14.227 1.00 0.00 O ATOM 463 CB ASP A 35 30.729 6.951 -13.211 1.00 0.00 C ATOM 464 CG ASP A 35 31.281 7.202 -11.821 1.00 0.00 C ATOM 465 OD1 ASP A 35 30.488 7.551 -10.921 1.00 0.00 O ATOM 466 OD2 ASP A 35 32.507 7.048 -11.633 1.00 0.00 O ATOM 0 H ASP A 35 28.651 6.768 -14.520 1.00 0.00 H new ATOM 0 HA ASP A 35 29.706 8.826 -12.968 1.00 0.00 H new ATOM 0 HB2 ASP A 35 30.031 6.114 -13.176 1.00 0.00 H new ATOM 0 HB3 ASP A 35 31.543 6.660 -13.875 1.00 0.00 H new ATOM 470 N LYS A 36 31.027 8.586 -15.954 1.00 0.00 N ATOM 471 CA LYS A 36 31.900 9.253 -16.914 1.00 0.00 C ATOM 472 C LYS A 36 31.381 10.648 -17.243 1.00 0.00 C ATOM 473 O LYS A 36 32.149 11.608 -17.305 1.00 0.00 O ATOM 474 CB LYS A 36 32.012 8.423 -18.196 1.00 0.00 C ATOM 475 CG LYS A 36 32.593 7.037 -17.973 1.00 0.00 C ATOM 476 CD LYS A 36 34.056 6.974 -18.379 1.00 0.00 C ATOM 477 CE LYS A 36 34.368 5.696 -19.143 1.00 0.00 C ATOM 478 NZ LYS A 36 35.537 5.864 -20.049 1.00 0.00 N ATOM 0 H LYS A 36 30.474 7.824 -16.346 1.00 0.00 H new ATOM 0 HA LYS A 36 32.888 9.349 -16.463 1.00 0.00 H new ATOM 0 HB2 LYS A 36 31.023 8.326 -18.644 1.00 0.00 H new ATOM 0 HB3 LYS A 36 32.635 8.958 -18.912 1.00 0.00 H new ATOM 0 HG2 LYS A 36 32.494 6.765 -16.922 1.00 0.00 H new ATOM 0 HG3 LYS A 36 32.023 6.306 -18.547 1.00 0.00 H new ATOM 0 HD2 LYS A 36 34.301 7.838 -18.997 1.00 0.00 H new ATOM 0 HD3 LYS A 36 34.684 7.030 -17.490 1.00 0.00 H new ATOM 0 HE2 LYS A 36 34.569 4.890 -18.437 1.00 0.00 H new ATOM 0 HE3 LYS A 36 33.496 5.399 -19.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 35.718 4.972 -20.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 35.336 6.616 -20.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 36.375 6.122 -19.490 1.00 0.00 H new ATOM 488 N ALA A 37 30.073 10.753 -17.453 1.00 0.00 N ATOM 489 CA ALA A 37 29.450 12.032 -17.772 1.00 0.00 C ATOM 490 C ALA A 37 29.572 13.009 -16.606 1.00 0.00 C ATOM 491 O ALA A 37 29.588 14.224 -16.801 1.00 0.00 O ATOM 492 CB ALA A 37 27.989 11.830 -18.145 1.00 0.00 C ATOM 0 H ALA A 37 29.424 9.967 -17.408 1.00 0.00 H new ATOM 0 HA ALA A 37 29.975 12.460 -18.626 1.00 0.00 H new ATOM 0 HB1 ALA A 37 27.537 12.794 -18.381 1.00 0.00 H new ATOM 0 HB2 ALA A 37 27.923 11.176 -19.014 1.00 0.00 H new ATOM 0 HB3 ALA A 37 27.459 11.376 -17.308 1.00 0.00 H new ATOM 498 N ASP A 38 29.657 12.468 -15.396 1.00 0.00 N ATOM 499 CA ASP A 38 29.778 13.293 -14.199 1.00 0.00 C ATOM 500 C ASP A 38 31.191 13.849 -14.061 1.00 0.00 C ATOM 501 O ASP A 38 31.380 15.016 -13.715 1.00 0.00 O ATOM 502 CB ASP A 38 29.414 12.479 -12.956 1.00 0.00 C ATOM 503 CG ASP A 38 28.503 13.238 -12.011 1.00 0.00 C ATOM 504 OD1 ASP A 38 28.923 14.301 -11.507 1.00 0.00 O ATOM 505 OD2 ASP A 38 27.368 12.771 -11.779 1.00 0.00 O ATOM 0 H ASP A 38 29.644 11.464 -15.218 1.00 0.00 H new ATOM 0 HA ASP A 38 29.086 14.130 -14.293 1.00 0.00 H new ATOM 0 HB2 ASP A 38 28.925 11.554 -13.262 1.00 0.00 H new ATOM 0 HB3 ASP A 38 30.326 12.199 -12.429 1.00 0.00 H new ATOM 509 N LYS A 39 32.182 13.008 -14.336 1.00 0.00 N ATOM 510 CA LYS A 39 33.580 13.415 -14.245 1.00 0.00 C ATOM 511 C LYS A 39 33.918 14.443 -15.318 1.00 0.00 C ATOM 512 O LYS A 39 34.410 15.531 -15.017 1.00 0.00 O ATOM 513 CB LYS A 39 34.497 12.198 -14.383 1.00 0.00 C ATOM 514 CG LYS A 39 35.005 11.668 -13.053 1.00 0.00 C ATOM 515 CD LYS A 39 36.521 11.754 -12.963 1.00 0.00 C ATOM 516 CE LYS A 39 36.988 13.195 -12.818 1.00 0.00 C ATOM 517 NZ LYS A 39 36.487 13.817 -11.561 1.00 0.00 N ATOM 0 H LYS A 39 32.043 12.039 -14.624 1.00 0.00 H new ATOM 0 HA LYS A 39 33.736 13.871 -13.268 1.00 0.00 H new ATOM 0 HB2 LYS A 39 33.958 11.404 -14.900 1.00 0.00 H new ATOM 0 HB3 LYS A 39 35.349 12.464 -15.008 1.00 0.00 H new ATOM 0 HG2 LYS A 39 34.558 12.237 -12.238 1.00 0.00 H new ATOM 0 HG3 LYS A 39 34.690 10.632 -12.928 1.00 0.00 H new ATOM 0 HD2 LYS A 39 36.870 11.169 -12.112 1.00 0.00 H new ATOM 0 HD3 LYS A 39 36.966 11.314 -13.856 1.00 0.00 H new ATOM 0 HE2 LYS A 39 38.077 13.226 -12.830 1.00 0.00 H new ATOM 0 HE3 LYS A 39 36.643 13.776 -13.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 37.074 14.642 -11.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 35.501 14.120 -11.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 36.536 13.124 -10.787 1.00 0.00 H new ATOM 527 N VAL A 40 33.648 14.095 -16.573 1.00 0.00 N ATOM 528 CA VAL A 40 33.922 14.989 -17.691 1.00 0.00 C ATOM 529 C VAL A 40 33.274 16.352 -17.475 1.00 0.00 C ATOM 530 O VAL A 40 33.843 17.384 -17.833 1.00 0.00 O ATOM 531 CB VAL A 40 33.415 14.397 -19.020 1.00 0.00 C ATOM 532 CG1 VAL A 40 31.922 14.119 -18.946 1.00 0.00 C ATOM 533 CG2 VAL A 40 33.735 15.332 -20.177 1.00 0.00 C ATOM 0 H VAL A 40 33.239 13.199 -16.840 1.00 0.00 H new ATOM 0 HA VAL A 40 35.004 15.108 -17.744 1.00 0.00 H new ATOM 0 HB VAL A 40 33.928 13.451 -19.195 1.00 0.00 H new ATOM 0 HG11 VAL A 40 31.582 13.701 -19.894 1.00 0.00 H new ATOM 0 HG12 VAL A 40 31.724 13.408 -18.144 1.00 0.00 H new ATOM 0 HG13 VAL A 40 31.388 15.048 -18.747 1.00 0.00 H new ATOM 0 HG21 VAL A 40 33.370 14.898 -21.108 1.00 0.00 H new ATOM 0 HG22 VAL A 40 33.251 16.295 -20.011 1.00 0.00 H new ATOM 0 HG23 VAL A 40 34.814 15.474 -20.242 1.00 0.00 H new ATOM 543 N ALA A 41 32.083 16.350 -16.889 1.00 0.00 N ATOM 544 CA ALA A 41 31.358 17.587 -16.623 1.00 0.00 C ATOM 545 C ALA A 41 31.944 18.316 -15.419 1.00 0.00 C ATOM 546 O ALA A 41 32.322 19.484 -15.513 1.00 0.00 O ATOM 547 CB ALA A 41 29.882 17.296 -16.399 1.00 0.00 C ATOM 0 H ALA A 41 31.598 15.505 -16.588 1.00 0.00 H new ATOM 0 HA ALA A 41 31.461 18.235 -17.494 1.00 0.00 H new ATOM 0 HB1 ALA A 41 29.353 18.228 -16.202 1.00 0.00 H new ATOM 0 HB2 ALA A 41 29.465 16.824 -17.289 1.00 0.00 H new ATOM 0 HB3 ALA A 41 29.768 16.627 -15.546 1.00 0.00 H new ATOM 553 N GLY A 42 32.015 17.623 -14.287 1.00 0.00 N ATOM 554 CA GLY A 42 32.555 18.223 -13.081 1.00 0.00 C ATOM 555 C GLY A 42 33.961 18.754 -13.277 1.00 0.00 C ATOM 556 O GLY A 42 34.339 19.765 -12.686 1.00 0.00 O ATOM 0 H GLY A 42 31.708 16.656 -14.183 1.00 0.00 H new ATOM 0 HA2 GLY A 42 31.904 19.037 -12.761 1.00 0.00 H new ATOM 0 HA3 GLY A 42 32.558 17.483 -12.281 1.00 0.00 H new ATOM 560 N LYS A 43 34.740 18.070 -14.108 1.00 0.00 N ATOM 561 CA LYS A 43 36.113 18.479 -14.382 1.00 0.00 C ATOM 562 C LYS A 43 36.154 19.875 -14.994 1.00 0.00 C ATOM 563 O LYS A 43 37.175 20.559 -14.935 1.00 0.00 O ATOM 564 CB LYS A 43 36.787 17.477 -15.323 1.00 0.00 C ATOM 565 CG LYS A 43 37.684 16.481 -14.609 1.00 0.00 C ATOM 566 CD LYS A 43 38.840 17.176 -13.905 1.00 0.00 C ATOM 567 CE LYS A 43 40.121 16.363 -14.002 1.00 0.00 C ATOM 568 NZ LYS A 43 40.046 15.112 -13.198 1.00 0.00 N ATOM 0 H LYS A 43 34.444 17.229 -14.604 1.00 0.00 H new ATOM 0 HA LYS A 43 36.654 18.501 -13.436 1.00 0.00 H new ATOM 0 HB2 LYS A 43 36.018 16.933 -15.872 1.00 0.00 H new ATOM 0 HB3 LYS A 43 37.378 18.023 -16.059 1.00 0.00 H new ATOM 0 HG2 LYS A 43 37.098 15.919 -13.881 1.00 0.00 H new ATOM 0 HG3 LYS A 43 38.075 15.761 -15.328 1.00 0.00 H new ATOM 0 HD2 LYS A 43 38.998 18.160 -14.347 1.00 0.00 H new ATOM 0 HD3 LYS A 43 38.587 17.334 -12.857 1.00 0.00 H new ATOM 0 HE2 LYS A 43 40.314 16.113 -15.045 1.00 0.00 H new ATOM 0 HE3 LYS A 43 40.961 16.966 -13.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 40.997 14.856 -12.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 39.421 15.262 -12.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 39.667 14.343 -13.787 1.00 0.00 H new ATOM 675 N GLY A 51 25.972 27.328 -4.610 1.00 0.00 N ATOM 676 CA GLY A 51 24.642 27.559 -4.077 1.00 0.00 C ATOM 677 C GLY A 51 23.558 26.939 -4.937 1.00 0.00 C ATOM 678 O GLY A 51 22.396 26.875 -4.533 1.00 0.00 O ATOM 0 HA2 GLY A 51 24.581 27.149 -3.069 1.00 0.00 H new ATOM 0 HA3 GLY A 51 24.468 28.632 -3.995 1.00 0.00 H new ATOM 682 N VAL A 52 23.937 26.483 -6.127 1.00 0.00 N ATOM 683 CA VAL A 52 22.988 25.866 -7.046 1.00 0.00 C ATOM 684 C VAL A 52 22.853 24.372 -6.776 1.00 0.00 C ATOM 685 O VAL A 52 21.838 23.759 -7.106 1.00 0.00 O ATOM 686 CB VAL A 52 23.409 26.076 -8.512 1.00 0.00 C ATOM 687 CG1 VAL A 52 22.315 25.601 -9.456 1.00 0.00 C ATOM 688 CG2 VAL A 52 23.744 27.539 -8.765 1.00 0.00 C ATOM 0 H VAL A 52 24.894 26.529 -6.477 1.00 0.00 H new ATOM 0 HA VAL A 52 22.026 26.350 -6.879 1.00 0.00 H new ATOM 0 HB VAL A 52 24.303 25.483 -8.703 1.00 0.00 H new ATOM 0 HG11 VAL A 52 22.631 25.758 -10.487 1.00 0.00 H new ATOM 0 HG12 VAL A 52 22.128 24.540 -9.291 1.00 0.00 H new ATOM 0 HG13 VAL A 52 21.401 26.165 -9.267 1.00 0.00 H new ATOM 0 HG21 VAL A 52 24.040 27.670 -9.806 1.00 0.00 H new ATOM 0 HG22 VAL A 52 22.869 28.154 -8.556 1.00 0.00 H new ATOM 0 HG23 VAL A 52 24.564 27.842 -8.114 1.00 0.00 H new ATOM 698 N PHE A 53 23.886 23.790 -6.175 1.00 0.00 N ATOM 699 CA PHE A 53 23.885 22.366 -5.861 1.00 0.00 C ATOM 700 C PHE A 53 23.935 22.141 -4.353 1.00 0.00 C ATOM 701 O PHE A 53 23.473 21.116 -3.852 1.00 0.00 O ATOM 702 CB PHE A 53 25.073 21.673 -6.531 1.00 0.00 C ATOM 703 CG PHE A 53 24.678 20.517 -7.405 1.00 0.00 C ATOM 704 CD1 PHE A 53 24.143 20.734 -8.664 1.00 0.00 C ATOM 705 CD2 PHE A 53 24.840 19.212 -6.966 1.00 0.00 C ATOM 706 CE1 PHE A 53 23.780 19.673 -9.470 1.00 0.00 C ATOM 707 CE2 PHE A 53 24.478 18.147 -7.769 1.00 0.00 C ATOM 708 CZ PHE A 53 23.947 18.378 -9.022 1.00 0.00 C ATOM 0 H PHE A 53 24.734 24.283 -5.896 1.00 0.00 H new ATOM 0 HA PHE A 53 22.959 21.936 -6.244 1.00 0.00 H new ATOM 0 HB2 PHE A 53 25.618 22.402 -7.131 1.00 0.00 H new ATOM 0 HB3 PHE A 53 25.758 21.318 -5.761 1.00 0.00 H new ATOM 0 HD1 PHE A 53 24.008 21.745 -9.020 1.00 0.00 H new ATOM 0 HD2 PHE A 53 25.254 19.026 -5.986 1.00 0.00 H new ATOM 0 HE1 PHE A 53 23.366 19.856 -10.450 1.00 0.00 H new ATOM 0 HE2 PHE A 53 24.610 17.135 -7.416 1.00 0.00 H new ATOM 0 HZ PHE A 53 23.663 17.547 -9.651 1.00 0.00 H new ATOM 717 N GLN A 54 24.499 23.107 -3.635 1.00 0.00 N ATOM 718 CA GLN A 54 24.612 23.015 -2.184 1.00 0.00 C ATOM 719 C GLN A 54 23.241 22.832 -1.542 1.00 0.00 C ATOM 720 O GLN A 54 23.123 22.278 -0.450 1.00 0.00 O ATOM 721 CB GLN A 54 25.289 24.266 -1.623 1.00 0.00 C ATOM 722 CG GLN A 54 26.712 24.025 -1.146 1.00 0.00 C ATOM 723 CD GLN A 54 26.902 24.364 0.319 1.00 0.00 C ATOM 724 OE1 GLN A 54 27.310 23.519 1.116 1.00 0.00 O ATOM 725 NE2 GLN A 54 26.608 25.607 0.683 1.00 0.00 N ATOM 0 H GLN A 54 24.885 23.963 -4.035 1.00 0.00 H new ATOM 0 HA GLN A 54 25.223 22.144 -1.947 1.00 0.00 H new ATOM 0 HB2 GLN A 54 25.298 25.040 -2.391 1.00 0.00 H new ATOM 0 HB3 GLN A 54 24.696 24.648 -0.792 1.00 0.00 H new ATOM 0 HG2 GLN A 54 26.974 22.980 -1.310 1.00 0.00 H new ATOM 0 HG3 GLN A 54 27.398 24.623 -1.745 1.00 0.00 H new ATOM 0 HE21 GLN A 54 26.273 26.276 -0.010 1.00 0.00 H new ATOM 0 HE22 GLN A 54 26.718 25.893 1.656 1.00 0.00 H new ATOM 732 N GLY A 55 22.204 23.304 -2.228 1.00 0.00 N ATOM 733 CA GLY A 55 20.854 23.186 -1.709 1.00 0.00 C ATOM 734 C GLY A 55 20.471 21.749 -1.415 1.00 0.00 C ATOM 735 O GLY A 55 19.609 21.487 -0.576 1.00 0.00 O ATOM 0 H GLY A 55 22.275 23.766 -3.134 1.00 0.00 H new ATOM 0 HA2 GLY A 55 20.765 23.777 -0.797 1.00 0.00 H new ATOM 0 HA3 GLY A 55 20.153 23.606 -2.430 1.00 0.00 H new ATOM 739 N VAL A 56 21.113 20.814 -2.108 1.00 0.00 N ATOM 740 CA VAL A 56 20.835 19.395 -1.918 1.00 0.00 C ATOM 741 C VAL A 56 21.056 18.981 -0.467 1.00 0.00 C ATOM 742 O VAL A 56 20.486 17.997 0.004 1.00 0.00 O ATOM 743 CB VAL A 56 21.716 18.521 -2.829 1.00 0.00 C ATOM 744 CG1 VAL A 56 23.176 18.616 -2.410 1.00 0.00 C ATOM 745 CG2 VAL A 56 21.240 17.077 -2.806 1.00 0.00 C ATOM 0 H VAL A 56 21.829 21.013 -2.806 1.00 0.00 H new ATOM 0 HA VAL A 56 19.789 19.241 -2.182 1.00 0.00 H new ATOM 0 HB VAL A 56 21.630 18.891 -3.851 1.00 0.00 H new ATOM 0 HG11 VAL A 56 23.784 17.992 -3.065 1.00 0.00 H new ATOM 0 HG12 VAL A 56 23.509 19.651 -2.484 1.00 0.00 H new ATOM 0 HG13 VAL A 56 23.282 18.273 -1.381 1.00 0.00 H new ATOM 0 HG21 VAL A 56 21.875 16.474 -3.456 1.00 0.00 H new ATOM 0 HG22 VAL A 56 21.294 16.692 -1.788 1.00 0.00 H new ATOM 0 HG23 VAL A 56 20.210 17.028 -3.158 1.00 0.00 H new ATOM 755 N HIS A 57 21.889 19.740 0.237 1.00 0.00 N ATOM 756 CA HIS A 57 22.186 19.454 1.637 1.00 0.00 C ATOM 757 C HIS A 57 20.956 19.677 2.511 1.00 0.00 C ATOM 758 O HIS A 57 20.818 19.068 3.572 1.00 0.00 O ATOM 759 CB HIS A 57 23.338 20.332 2.125 1.00 0.00 C ATOM 760 CG HIS A 57 23.586 20.231 3.599 1.00 0.00 C ATOM 761 ND1 HIS A 57 22.837 20.910 4.537 1.00 0.00 N ATOM 762 CD2 HIS A 57 24.505 19.523 4.297 1.00 0.00 C ATOM 763 CE1 HIS A 57 23.285 20.627 5.746 1.00 0.00 C ATOM 764 NE2 HIS A 57 24.297 19.786 5.629 1.00 0.00 N ATOM 0 H HIS A 57 22.370 20.557 -0.138 1.00 0.00 H new ATOM 0 HA HIS A 57 22.479 18.407 1.714 1.00 0.00 H new ATOM 0 HB2 HIS A 57 24.247 20.053 1.592 1.00 0.00 H new ATOM 0 HB3 HIS A 57 23.125 21.370 1.871 1.00 0.00 H new ATOM 0 HD2 HIS A 57 25.261 18.872 3.883 1.00 0.00 H new ATOM 0 HE1 HIS A 57 22.891 21.017 6.673 1.00 0.00 H new ATOM 0 HE2 HIS A 57 24.836 19.396 6.402 1.00 0.00 H new ATOM 771 N ASP A 58 20.065 20.551 2.058 1.00 0.00 N ATOM 772 CA ASP A 58 18.845 20.853 2.798 1.00 0.00 C ATOM 773 C ASP A 58 18.041 19.584 3.063 1.00 0.00 C ATOM 774 O ASP A 58 17.265 19.516 4.016 1.00 0.00 O ATOM 775 CB ASP A 58 17.991 21.862 2.026 1.00 0.00 C ATOM 776 CG ASP A 58 16.680 22.164 2.725 1.00 0.00 C ATOM 777 OD1 ASP A 58 15.779 21.300 2.697 1.00 0.00 O ATOM 778 OD2 ASP A 58 16.556 23.265 3.301 1.00 0.00 O ATOM 0 H ASP A 58 20.164 21.063 1.182 1.00 0.00 H new ATOM 0 HA ASP A 58 19.129 21.287 3.756 1.00 0.00 H new ATOM 0 HB2 ASP A 58 18.553 22.787 1.898 1.00 0.00 H new ATOM 0 HB3 ASP A 58 17.787 21.473 1.029 1.00 0.00 H new ATOM 782 N SER A 59 18.233 18.580 2.213 1.00 0.00 N ATOM 783 CA SER A 59 17.522 17.315 2.352 1.00 0.00 C ATOM 784 C SER A 59 18.239 16.395 3.335 1.00 0.00 C ATOM 785 O SER A 59 17.618 15.542 3.969 1.00 0.00 O ATOM 786 CB SER A 59 17.393 16.626 0.992 1.00 0.00 C ATOM 787 OG SER A 59 16.325 17.174 0.241 1.00 0.00 O ATOM 0 H SER A 59 18.875 18.618 1.421 1.00 0.00 H new ATOM 0 HA SER A 59 16.526 17.527 2.740 1.00 0.00 H new ATOM 0 HB2 SER A 59 18.325 16.734 0.437 1.00 0.00 H new ATOM 0 HB3 SER A 59 17.230 15.558 1.136 1.00 0.00 H new ATOM 0 HG SER A 59 16.265 16.717 -0.624 1.00 0.00 H new ATOM 792 N ALA A 60 19.550 16.575 3.458 1.00 0.00 N ATOM 793 CA ALA A 60 20.352 15.764 4.364 1.00 0.00 C ATOM 794 C ALA A 60 19.815 15.840 5.789 1.00 0.00 C ATOM 795 O ALA A 60 20.018 14.926 6.588 1.00 0.00 O ATOM 796 CB ALA A 60 21.807 16.206 4.323 1.00 0.00 C ATOM 0 H ALA A 60 20.079 17.277 2.940 1.00 0.00 H new ATOM 0 HA ALA A 60 20.290 14.727 4.034 1.00 0.00 H new ATOM 0 HB1 ALA A 60 22.394 15.591 5.005 1.00 0.00 H new ATOM 0 HB2 ALA A 60 22.193 16.094 3.310 1.00 0.00 H new ATOM 0 HB3 ALA A 60 21.878 17.251 4.625 1.00 0.00 H new ATOM 802 N GLU A 61 19.128 16.934 6.101 1.00 0.00 N ATOM 803 CA GLU A 61 18.563 17.129 7.430 1.00 0.00 C ATOM 804 C GLU A 61 17.725 15.925 7.847 1.00 0.00 C ATOM 805 O GLU A 61 17.628 15.600 9.031 1.00 0.00 O ATOM 806 CB GLU A 61 17.706 18.397 7.465 1.00 0.00 C ATOM 807 CG GLU A 61 18.509 19.670 7.675 1.00 0.00 C ATOM 808 CD GLU A 61 17.700 20.922 7.403 1.00 0.00 C ATOM 809 OE1 GLU A 61 16.506 20.949 7.769 1.00 0.00 O ATOM 810 OE2 GLU A 61 18.262 21.876 6.823 1.00 0.00 O ATOM 0 H GLU A 61 18.949 17.699 5.451 1.00 0.00 H new ATOM 0 HA GLU A 61 19.388 17.238 8.134 1.00 0.00 H new ATOM 0 HB2 GLU A 61 17.153 18.477 6.529 1.00 0.00 H new ATOM 0 HB3 GLU A 61 16.970 18.306 8.264 1.00 0.00 H new ATOM 0 HG2 GLU A 61 18.879 19.697 8.700 1.00 0.00 H new ATOM 0 HG3 GLU A 61 19.381 19.657 7.022 1.00 0.00 H new ATOM 1021 N ARG A 79 20.627 7.381 19.381 1.00 0.00 N ATOM 1022 CA ARG A 79 19.962 6.586 18.356 1.00 0.00 C ATOM 1023 C ARG A 79 19.078 5.514 18.989 1.00 0.00 C ATOM 1024 O ARG A 79 18.094 5.076 18.393 1.00 0.00 O ATOM 1025 CB ARG A 79 20.995 5.932 17.436 1.00 0.00 C ATOM 1026 CG ARG A 79 21.220 6.689 16.139 1.00 0.00 C ATOM 1027 CD ARG A 79 21.625 8.132 16.399 1.00 0.00 C ATOM 1028 NE ARG A 79 20.560 9.069 16.051 1.00 0.00 N ATOM 1029 CZ ARG A 79 20.532 10.335 16.455 1.00 0.00 C ATOM 1030 NH1 ARG A 79 21.507 10.811 17.218 1.00 0.00 N ATOM 1031 NH2 ARG A 79 19.531 11.126 16.096 1.00 0.00 N ATOM 0 HA ARG A 79 19.332 7.252 17.767 1.00 0.00 H new ATOM 0 HB2 ARG A 79 21.943 5.850 17.968 1.00 0.00 H new ATOM 0 HB3 ARG A 79 20.671 4.918 17.203 1.00 0.00 H new ATOM 0 HG2 ARG A 79 21.995 6.192 15.556 1.00 0.00 H new ATOM 0 HG3 ARG A 79 20.309 6.668 15.541 1.00 0.00 H new ATOM 0 HD2 ARG A 79 21.884 8.252 17.451 1.00 0.00 H new ATOM 0 HD3 ARG A 79 22.519 8.368 15.821 1.00 0.00 H new ATOM 0 HE ARG A 79 19.795 8.733 15.465 1.00 0.00 H new ATOM 0 HH11 ARG A 79 22.279 10.205 17.495 1.00 0.00 H new ATOM 0 HH12 ARG A 79 21.484 11.783 17.527 1.00 0.00 H new ATOM 0 HH21 ARG A 79 18.780 10.764 15.509 1.00 0.00 H new ATOM 0 HH22 ARG A 79 19.512 12.097 16.407 1.00 0.00 H new ATOM 1042 N ASP A 80 19.436 5.096 20.197 1.00 0.00 N ATOM 1043 CA ASP A 80 18.675 4.077 20.912 1.00 0.00 C ATOM 1044 C ASP A 80 17.391 4.663 21.489 1.00 0.00 C ATOM 1045 O ASP A 80 16.324 4.056 21.397 1.00 0.00 O ATOM 1046 CB ASP A 80 19.523 3.469 22.030 1.00 0.00 C ATOM 1047 CG ASP A 80 19.357 1.965 22.130 1.00 0.00 C ATOM 1048 OD1 ASP A 80 19.874 1.251 21.245 1.00 0.00 O ATOM 1049 OD2 ASP A 80 18.710 1.503 23.091 1.00 0.00 O ATOM 0 H ASP A 80 20.249 5.447 20.703 1.00 0.00 H new ATOM 0 HA ASP A 80 18.407 3.293 20.203 1.00 0.00 H new ATOM 0 HB2 ASP A 80 20.573 3.705 21.855 1.00 0.00 H new ATOM 0 HB3 ASP A 80 19.248 3.926 22.980 1.00 0.00 H new ATOM 1053 N TYR A 81 17.502 5.845 22.086 1.00 0.00 N ATOM 1054 CA TYR A 81 16.350 6.510 22.682 1.00 0.00 C ATOM 1055 C TYR A 81 15.408 7.040 21.604 1.00 0.00 C ATOM 1056 O TYR A 81 14.187 6.931 21.724 1.00 0.00 O ATOM 1057 CB TYR A 81 16.809 7.659 23.583 1.00 0.00 C ATOM 1058 CG TYR A 81 15.674 8.354 24.303 1.00 0.00 C ATOM 1059 CD1 TYR A 81 14.644 7.624 24.883 1.00 0.00 C ATOM 1060 CD2 TYR A 81 15.632 9.739 24.403 1.00 0.00 C ATOM 1061 CE1 TYR A 81 13.605 8.254 25.542 1.00 0.00 C ATOM 1062 CE2 TYR A 81 14.600 10.377 25.062 1.00 0.00 C ATOM 1063 CZ TYR A 81 13.589 9.630 25.629 1.00 0.00 C ATOM 1064 OH TYR A 81 12.556 10.261 26.284 1.00 0.00 O ATOM 0 H TYR A 81 18.378 6.362 22.170 1.00 0.00 H new ATOM 0 HA TYR A 81 15.810 5.778 23.283 1.00 0.00 H new ATOM 0 HB2 TYR A 81 17.513 7.273 24.320 1.00 0.00 H new ATOM 0 HB3 TYR A 81 17.347 8.390 22.980 1.00 0.00 H new ATOM 0 HD1 TYR A 81 14.655 6.546 24.818 1.00 0.00 H new ATOM 0 HD2 TYR A 81 16.421 10.327 23.957 1.00 0.00 H new ATOM 0 HE1 TYR A 81 12.811 7.672 25.986 1.00 0.00 H new ATOM 0 HE2 TYR A 81 14.585 11.455 25.133 1.00 0.00 H new ATOM 0 HH TYR A 81 12.695 11.231 26.256 1.00 0.00 H new ATOM 1073 N MET A 82 15.984 7.611 20.552 1.00 0.00 N ATOM 1074 CA MET A 82 15.197 8.155 19.453 1.00 0.00 C ATOM 1075 C MET A 82 14.395 7.057 18.762 1.00 0.00 C ATOM 1076 O MET A 82 13.175 7.147 18.641 1.00 0.00 O ATOM 1077 CB MET A 82 16.109 8.850 18.440 1.00 0.00 C ATOM 1078 CG MET A 82 16.290 10.336 18.703 1.00 0.00 C ATOM 1079 SD MET A 82 14.918 11.326 18.079 1.00 0.00 S ATOM 1080 CE MET A 82 14.214 11.930 19.610 1.00 0.00 C ATOM 0 H MET A 82 16.993 7.709 20.438 1.00 0.00 H new ATOM 0 HA MET A 82 14.500 8.885 19.865 1.00 0.00 H new ATOM 0 HB2 MET A 82 17.086 8.366 18.451 1.00 0.00 H new ATOM 0 HB3 MET A 82 15.697 8.714 17.440 1.00 0.00 H new ATOM 0 HG2 MET A 82 16.393 10.501 19.775 1.00 0.00 H new ATOM 0 HG3 MET A 82 17.217 10.673 18.238 1.00 0.00 H new ATOM 0 HE1 MET A 82 13.409 12.630 19.389 1.00 0.00 H new ATOM 0 HE2 MET A 82 13.819 11.092 20.184 1.00 0.00 H new ATOM 0 HE3 MET A 82 14.985 12.436 20.191 1.00 0.00 H new ATOM 1088 N GLY A 83 15.091 6.017 18.310 1.00 0.00 N ATOM 1089 CA GLY A 83 14.427 4.916 17.637 1.00 0.00 C ATOM 1090 C GLY A 83 13.332 4.297 18.482 1.00 0.00 C ATOM 1091 O GLY A 83 12.344 3.787 17.953 1.00 0.00 O ATOM 0 H GLY A 83 16.102 5.918 18.398 1.00 0.00 H new ATOM 0 HA2 GLY A 83 14.001 5.271 16.699 1.00 0.00 H new ATOM 0 HA3 GLY A 83 15.162 4.152 17.384 1.00 0.00 H new ATOM 1095 N ALA A 84 13.505 4.339 19.799 1.00 0.00 N ATOM 1096 CA ALA A 84 12.523 3.778 20.718 1.00 0.00 C ATOM 1097 C ALA A 84 11.251 4.616 20.740 1.00 0.00 C ATOM 1098 O ALA A 84 10.144 4.081 20.825 1.00 0.00 O ATOM 1099 CB ALA A 84 13.111 3.671 22.117 1.00 0.00 C ATOM 0 H ALA A 84 14.317 4.756 20.254 1.00 0.00 H new ATOM 0 HA ALA A 84 12.263 2.779 20.368 1.00 0.00 H new ATOM 0 HB1 ALA A 84 12.367 3.250 22.793 1.00 0.00 H new ATOM 0 HB2 ALA A 84 13.988 3.024 22.095 1.00 0.00 H new ATOM 0 HB3 ALA A 84 13.400 4.662 22.467 1.00 0.00 H new ATOM 1105 N ALA A 85 11.413 5.933 20.663 1.00 0.00 N ATOM 1106 CA ALA A 85 10.276 6.845 20.673 1.00 0.00 C ATOM 1107 C ALA A 85 9.432 6.684 19.411 1.00 0.00 C ATOM 1108 O ALA A 85 8.216 6.869 19.438 1.00 0.00 O ATOM 1109 CB ALA A 85 10.753 8.283 20.811 1.00 0.00 C ATOM 0 H ALA A 85 12.321 6.392 20.593 1.00 0.00 H new ATOM 0 HA ALA A 85 9.651 6.598 21.531 1.00 0.00 H new ATOM 0 HB1 ALA A 85 9.893 8.953 20.817 1.00 0.00 H new ATOM 0 HB2 ALA A 85 11.306 8.395 21.743 1.00 0.00 H new ATOM 0 HB3 ALA A 85 11.402 8.533 19.972 1.00 0.00 H new ATOM 1115 N LYS A 86 10.088 6.341 18.307 1.00 0.00 N ATOM 1116 CA LYS A 86 9.399 6.156 17.035 1.00 0.00 C ATOM 1117 C LYS A 86 8.418 4.991 17.113 1.00 0.00 C ATOM 1118 O LYS A 86 7.230 5.148 16.830 1.00 0.00 O ATOM 1119 CB LYS A 86 10.413 5.908 15.915 1.00 0.00 C ATOM 1120 CG LYS A 86 11.610 6.842 15.960 1.00 0.00 C ATOM 1121 CD LYS A 86 12.217 7.036 14.581 1.00 0.00 C ATOM 1122 CE LYS A 86 12.434 8.509 14.270 1.00 0.00 C ATOM 1123 NZ LYS A 86 13.748 8.751 13.613 1.00 0.00 N ATOM 0 H LYS A 86 11.095 6.186 18.268 1.00 0.00 H new ATOM 0 HA LYS A 86 8.840 7.066 16.817 1.00 0.00 H new ATOM 0 HB2 LYS A 86 10.764 4.878 15.976 1.00 0.00 H new ATOM 0 HB3 LYS A 86 9.913 6.018 14.953 1.00 0.00 H new ATOM 0 HG2 LYS A 86 11.304 7.807 16.363 1.00 0.00 H new ATOM 0 HG3 LYS A 86 12.363 6.438 16.637 1.00 0.00 H new ATOM 0 HD2 LYS A 86 13.168 6.507 14.523 1.00 0.00 H new ATOM 0 HD3 LYS A 86 11.562 6.597 13.829 1.00 0.00 H new ATOM 0 HE2 LYS A 86 11.633 8.865 13.622 1.00 0.00 H new ATOM 0 HE3 LYS A 86 12.378 9.087 15.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 13.857 9.767 13.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 14.514 8.435 14.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 13.792 8.220 12.720 1.00 0.00 H new ATOM 1133 N SER A 87 8.920 3.823 17.500 1.00 0.00 N ATOM 1134 CA SER A 87 8.086 2.632 17.614 1.00 0.00 C ATOM 1135 C SER A 87 6.970 2.845 18.631 1.00 0.00 C ATOM 1136 O SER A 87 5.813 2.511 18.379 1.00 0.00 O ATOM 1137 CB SER A 87 8.937 1.426 18.018 1.00 0.00 C ATOM 1138 OG SER A 87 8.389 0.223 17.508 1.00 0.00 O ATOM 0 H SER A 87 9.900 3.676 17.740 1.00 0.00 H new ATOM 0 HA SER A 87 7.634 2.440 16.641 1.00 0.00 H new ATOM 0 HB2 SER A 87 9.954 1.553 17.646 1.00 0.00 H new ATOM 0 HB3 SER A 87 9.000 1.369 19.105 1.00 0.00 H new ATOM 0 HG SER A 87 8.951 -0.533 17.778 1.00 0.00 H new ATOM 1143 N LYS A 88 7.327 3.403 19.783 1.00 0.00 N ATOM 1144 CA LYS A 88 6.357 3.663 20.840 1.00 0.00 C ATOM 1145 C LYS A 88 5.299 4.658 20.375 1.00 0.00 C ATOM 1146 O LYS A 88 4.098 4.407 20.495 1.00 0.00 O ATOM 1147 CB LYS A 88 7.061 4.198 22.088 1.00 0.00 C ATOM 1148 CG LYS A 88 7.822 3.133 22.861 1.00 0.00 C ATOM 1149 CD LYS A 88 6.880 2.107 23.468 1.00 0.00 C ATOM 1150 CE LYS A 88 6.746 2.294 24.971 1.00 0.00 C ATOM 1151 NZ LYS A 88 7.964 1.840 25.698 1.00 0.00 N ATOM 0 H LYS A 88 8.281 3.684 20.008 1.00 0.00 H new ATOM 0 HA LYS A 88 5.864 2.722 21.084 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.754 4.987 21.794 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.320 4.653 22.746 1.00 0.00 H new ATOM 0 HG2 LYS A 88 8.527 2.633 22.197 1.00 0.00 H new ATOM 0 HG3 LYS A 88 8.407 3.604 23.651 1.00 0.00 H new ATOM 0 HD2 LYS A 88 5.899 2.191 23.001 1.00 0.00 H new ATOM 0 HD3 LYS A 88 7.249 1.103 23.257 1.00 0.00 H new ATOM 0 HE2 LYS A 88 6.563 3.346 25.191 1.00 0.00 H new ATOM 0 HE3 LYS A 88 5.880 1.738 25.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 7.801 1.905 26.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 8.173 0.854 25.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 8.769 2.444 25.437 1.00 0.00 H new ATOM 1161 N LEU A 89 5.751 5.790 19.843 1.00 0.00 N ATOM 1162 CA LEU A 89 4.842 6.823 19.359 1.00 0.00 C ATOM 1163 C LEU A 89 3.819 6.239 18.390 1.00 0.00 C ATOM 1164 O LEU A 89 2.614 6.395 18.577 1.00 0.00 O ATOM 1165 CB LEU A 89 5.630 7.941 18.673 1.00 0.00 C ATOM 1166 CG LEU A 89 4.806 9.112 18.137 1.00 0.00 C ATOM 1167 CD1 LEU A 89 3.804 9.583 19.181 1.00 0.00 C ATOM 1168 CD2 LEU A 89 5.715 10.256 17.716 1.00 0.00 C ATOM 0 H LEU A 89 6.740 6.015 19.736 1.00 0.00 H new ATOM 0 HA LEU A 89 4.309 7.234 20.216 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.360 8.331 19.382 1.00 0.00 H new ATOM 0 HB3 LEU A 89 6.190 7.508 17.844 1.00 0.00 H new ATOM 0 HG LEU A 89 4.254 8.771 17.261 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.227 10.417 18.781 1.00 0.00 H new ATOM 0 HD12 LEU A 89 3.131 8.764 19.435 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.336 9.906 20.076 1.00 0.00 H new ATOM 0 HD21 LEU A 89 5.111 11.080 17.337 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.294 10.595 18.575 1.00 0.00 H new ATOM 0 HD23 LEU A 89 6.392 9.913 16.934 1.00 0.00 H new ATOM 1179 N ASN A 90 4.309 5.564 17.356 1.00 0.00 N ATOM 1180 CA ASN A 90 3.439 4.953 16.358 1.00 0.00 C ATOM 1181 C ASN A 90 2.479 3.961 17.007 1.00 0.00 C ATOM 1182 O ASN A 90 1.381 3.722 16.504 1.00 0.00 O ATOM 1183 CB ASN A 90 4.271 4.248 15.285 1.00 0.00 C ATOM 1184 CG ASN A 90 3.765 4.526 13.885 1.00 0.00 C ATOM 1185 OD1 ASN A 90 3.006 3.739 13.318 1.00 0.00 O ATOM 1186 ND2 ASN A 90 4.182 5.653 13.317 1.00 0.00 N ATOM 0 H ASN A 90 5.305 5.426 17.187 1.00 0.00 H new ATOM 0 HA ASN A 90 2.854 5.745 15.890 1.00 0.00 H new ATOM 0 HB2 ASN A 90 5.309 4.571 15.364 1.00 0.00 H new ATOM 0 HB3 ASN A 90 4.257 3.173 15.466 1.00 0.00 H new ATOM 0 HD21 ASN A 90 3.873 5.894 12.375 1.00 0.00 H new ATOM 0 HD22 ASN A 90 4.811 6.277 13.823 1.00 0.00 H new ATOM 1192 N ASP A 91 2.900 3.386 18.128 1.00 0.00 N ATOM 1193 CA ASP A 91 2.079 2.420 18.849 1.00 0.00 C ATOM 1194 C ASP A 91 0.897 3.109 19.523 1.00 0.00 C ATOM 1195 O ASP A 91 -0.197 2.549 19.602 1.00 0.00 O ATOM 1196 CB ASP A 91 2.918 1.683 19.893 1.00 0.00 C ATOM 1197 CG ASP A 91 2.680 0.186 19.875 1.00 0.00 C ATOM 1198 OD1 ASP A 91 1.622 -0.241 19.364 1.00 0.00 O ATOM 1199 OD2 ASP A 91 3.550 -0.560 20.371 1.00 0.00 O ATOM 0 H ASP A 91 3.806 3.572 18.558 1.00 0.00 H new ATOM 0 HA ASP A 91 1.694 1.698 18.129 1.00 0.00 H new ATOM 0 HB2 ASP A 91 3.974 1.882 19.713 1.00 0.00 H new ATOM 0 HB3 ASP A 91 2.685 2.073 20.884 1.00 0.00 H new ATOM 1203 N ALA A 92 1.126 4.324 20.009 1.00 0.00 N ATOM 1204 CA ALA A 92 0.079 5.089 20.676 1.00 0.00 C ATOM 1205 C ALA A 92 -0.830 5.777 19.661 1.00 0.00 C ATOM 1206 O ALA A 92 -2.054 5.732 19.780 1.00 0.00 O ATOM 1207 CB ALA A 92 0.693 6.115 21.617 1.00 0.00 C ATOM 0 H ALA A 92 2.026 4.800 19.954 1.00 0.00 H new ATOM 0 HA ALA A 92 -0.528 4.396 21.258 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -0.100 6.679 22.108 1.00 0.00 H new ATOM 0 HB2 ALA A 92 1.295 5.605 22.369 1.00 0.00 H new ATOM 0 HB3 ALA A 92 1.325 6.798 21.049 1.00 0.00 H new ATOM 1213 N VAL A 93 -0.223 6.414 18.665 1.00 0.00 N ATOM 1214 CA VAL A 93 -0.976 7.110 17.630 1.00 0.00 C ATOM 1215 C VAL A 93 -2.017 6.193 16.998 1.00 0.00 C ATOM 1216 O VAL A 93 -3.205 6.512 16.971 1.00 0.00 O ATOM 1217 CB VAL A 93 -0.048 7.651 16.528 1.00 0.00 C ATOM 1218 CG1 VAL A 93 -0.825 8.529 15.559 1.00 0.00 C ATOM 1219 CG2 VAL A 93 1.115 8.418 17.140 1.00 0.00 C ATOM 0 H VAL A 93 0.790 6.462 18.553 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.479 7.947 18.114 1.00 0.00 H new ATOM 0 HB VAL A 93 0.357 6.806 15.971 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.152 8.902 14.787 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -1.620 7.945 15.096 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.260 9.370 16.099 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.761 8.793 16.346 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.732 9.256 17.723 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.686 7.755 17.790 1.00 0.00 H new ATOM 1229 N GLU A 94 -1.562 5.052 16.490 1.00 0.00 N ATOM 1230 CA GLU A 94 -2.456 4.088 15.857 1.00 0.00 C ATOM 1231 C GLU A 94 -3.657 3.792 16.749 1.00 0.00 C ATOM 1232 O GLU A 94 -4.773 3.605 16.263 1.00 0.00 O ATOM 1233 CB GLU A 94 -1.705 2.792 15.547 1.00 0.00 C ATOM 1234 CG GLU A 94 -1.693 2.433 14.071 1.00 0.00 C ATOM 1235 CD GLU A 94 -2.403 1.125 13.782 1.00 0.00 C ATOM 1236 OE1 GLU A 94 -2.216 0.163 14.555 1.00 0.00 O ATOM 1237 OE2 GLU A 94 -3.148 1.065 12.780 1.00 0.00 O ATOM 0 H GLU A 94 -0.581 4.772 16.504 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.817 4.523 14.925 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -0.677 2.885 15.898 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -2.160 1.975 16.107 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -2.168 3.233 13.503 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -0.661 2.366 13.726 1.00 0.00 H new ATOM 1242 N TYR A 95 -3.422 3.754 18.055 1.00 0.00 N ATOM 1243 CA TYR A 95 -4.484 3.478 19.016 1.00 0.00 C ATOM 1244 C TYR A 95 -5.372 4.702 19.211 1.00 0.00 C ATOM 1245 O TYR A 95 -6.595 4.589 19.307 1.00 0.00 O ATOM 1246 CB TYR A 95 -3.887 3.048 20.357 1.00 0.00 C ATOM 1247 CG TYR A 95 -4.920 2.574 21.355 1.00 0.00 C ATOM 1248 CD1 TYR A 95 -5.686 3.481 22.077 1.00 0.00 C ATOM 1249 CD2 TYR A 95 -5.130 1.219 21.576 1.00 0.00 C ATOM 1250 CE1 TYR A 95 -6.630 3.051 22.989 1.00 0.00 C ATOM 1251 CE2 TYR A 95 -6.073 0.779 22.484 1.00 0.00 C ATOM 1252 CZ TYR A 95 -6.820 1.700 23.190 1.00 0.00 C ATOM 1253 OH TYR A 95 -7.760 1.268 24.097 1.00 0.00 O ATOM 0 H TYR A 95 -2.505 3.911 18.474 1.00 0.00 H new ATOM 0 HA TYR A 95 -5.096 2.667 18.621 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -3.166 2.248 20.185 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -3.337 3.886 20.786 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.541 4.540 21.922 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -4.545 0.496 21.027 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -7.217 3.770 23.542 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -6.225 -0.279 22.641 1.00 0.00 H new ATOM 0 HH TYR A 95 -7.769 0.288 24.117 1.00 0.00 H new ATOM 1262 N VAL A 96 -4.750 5.875 19.268 1.00 0.00 N ATOM 1263 CA VAL A 96 -5.483 7.123 19.450 1.00 0.00 C ATOM 1264 C VAL A 96 -6.388 7.407 18.255 1.00 0.00 C ATOM 1265 O VAL A 96 -7.580 7.671 18.417 1.00 0.00 O ATOM 1266 CB VAL A 96 -4.526 8.314 19.648 1.00 0.00 C ATOM 1267 CG1 VAL A 96 -5.307 9.584 19.948 1.00 0.00 C ATOM 1268 CG2 VAL A 96 -3.529 8.015 20.759 1.00 0.00 C ATOM 0 H VAL A 96 -3.739 5.988 19.191 1.00 0.00 H new ATOM 0 HA VAL A 96 -6.093 7.004 20.346 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.970 8.470 18.723 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.614 10.414 20.085 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -5.977 9.804 19.117 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -5.891 9.446 20.858 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.860 8.866 20.886 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -4.066 7.833 21.690 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.946 7.132 20.497 1.00 0.00 H new ATOM 1278 N SER A 97 -5.815 7.349 17.058 1.00 0.00 N ATOM 1279 CA SER A 97 -6.571 7.603 15.837 1.00 0.00 C ATOM 1280 C SER A 97 -7.720 6.611 15.693 1.00 0.00 C ATOM 1281 O SER A 97 -8.762 6.930 15.120 1.00 0.00 O ATOM 1282 CB SER A 97 -5.651 7.517 14.617 1.00 0.00 C ATOM 1283 OG SER A 97 -5.714 8.704 13.846 1.00 0.00 O ATOM 0 H SER A 97 -4.831 7.129 16.907 1.00 0.00 H new ATOM 0 HA SER A 97 -6.989 8.608 15.899 1.00 0.00 H new ATOM 0 HB2 SER A 97 -4.625 7.345 14.943 1.00 0.00 H new ATOM 0 HB3 SER A 97 -5.937 6.664 14.001 1.00 0.00 H new ATOM 0 HG SER A 97 -5.116 8.624 13.074 1.00 0.00 H new ATOM 1288 N GLY A 98 -7.523 5.405 16.217 1.00 0.00 N ATOM 1289 CA GLY A 98 -8.552 4.385 16.137 1.00 0.00 C ATOM 1290 C GLY A 98 -9.635 4.570 17.180 1.00 0.00 C ATOM 1291 O GLY A 98 -10.751 4.076 17.020 1.00 0.00 O ATOM 0 H GLY A 98 -6.670 5.116 16.695 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -9.001 4.404 15.144 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -8.096 3.403 16.262 1.00 0.00 H new ATOM 1295 N ARG A 99 -9.305 5.282 18.254 1.00 0.00 N ATOM 1296 CA ARG A 99 -10.259 5.528 19.329 1.00 0.00 C ATOM 1297 C ARG A 99 -11.059 6.801 19.065 1.00 0.00 C ATOM 1298 O ARG A 99 -12.282 6.814 19.196 1.00 0.00 O ATOM 1299 CB ARG A 99 -9.529 5.639 20.669 1.00 0.00 C ATOM 1300 CG ARG A 99 -9.593 4.371 21.505 1.00 0.00 C ATOM 1301 CD ARG A 99 -10.086 4.657 22.914 1.00 0.00 C ATOM 1302 NE ARG A 99 -9.974 3.488 23.780 1.00 0.00 N ATOM 1303 CZ ARG A 99 -9.963 3.554 25.107 1.00 0.00 C ATOM 1304 NH1 ARG A 99 -10.056 4.728 25.716 1.00 0.00 N ATOM 1305 NH2 ARG A 99 -9.857 2.445 25.828 1.00 0.00 N ATOM 0 H ARG A 99 -8.385 5.698 18.402 1.00 0.00 H new ATOM 0 HA ARG A 99 -10.951 4.687 19.368 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -8.484 5.890 20.484 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -9.958 6.462 21.240 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -10.256 3.651 21.026 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -8.605 3.913 21.550 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -9.511 5.480 23.339 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -11.126 4.981 22.875 1.00 0.00 H new ATOM 0 HE ARG A 99 -9.900 2.570 23.343 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -10.136 5.583 25.166 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -10.047 4.776 26.735 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -9.784 1.540 25.364 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -9.849 2.498 26.847 1.00 0.00 H new ATOM 1316 N VAL A 100 -10.359 7.868 18.694 1.00 0.00 N ATOM 1317 CA VAL A 100 -11.003 9.144 18.411 1.00 0.00 C ATOM 1318 C VAL A 100 -12.150 8.973 17.423 1.00 0.00 C ATOM 1319 O VAL A 100 -13.189 9.627 17.540 1.00 0.00 O ATOM 1320 CB VAL A 100 -10.000 10.167 17.845 1.00 0.00 C ATOM 1321 CG1 VAL A 100 -10.705 11.465 17.489 1.00 0.00 C ATOM 1322 CG2 VAL A 100 -8.875 10.415 18.839 1.00 0.00 C ATOM 0 H VAL A 100 -9.345 7.874 18.582 1.00 0.00 H new ATOM 0 HA VAL A 100 -11.395 9.517 19.357 1.00 0.00 H new ATOM 0 HB VAL A 100 -9.564 9.758 16.933 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -9.980 12.175 17.091 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -11.471 11.269 16.739 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -11.170 11.883 18.382 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -8.175 11.140 18.423 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -9.290 10.803 19.769 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -8.352 9.479 19.038 1.00 0.00 H new