USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 558 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 1 GLY N :NH3+ 173:sc= 0 (180deg=-0.068) USER MOD Single : A 2 SER OG : rot 180:sc= -0.29 USER MOD Single : A 4 THR OG1 : rot 72:sc= 1.17 USER MOD Single : A 6 LYS NZ :NH3+ -157:sc= -0.213 (180deg=-0.889) USER MOD Single : A 7 CYS SG : rot 180:sc= -1.4! USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot -17:sc= -3.12! USER MOD Single : A 16 LYS NZ :NH3+ 165:sc= -0.0178 (180deg=-0.274) USER MOD Single : A 18 GLN :FLIP amide:sc= -0.0279 F(o=-0.53,f=-0.028) USER MOD Single : A 24 THR OG1 : rot -67:sc= 0.618 USER MOD Single : A 27 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.473) USER MOD Single : A 28 SER OG : rot -52:sc= 0.626 USER MOD Single : A 32 GLN : amide:sc= -0.0018 X(o=-0.0018,f=0) USER MOD Single : A 33 ASN : amide:sc= -0.254 K(o=-0.25,f=-1.5!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN :FLIP amide:sc= 0.0928 F(o=-1.2,f=0.093) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -149:sc= -0.29 (180deg=-1.44!) USER MOD Single : A 51 GLN : amide:sc= -0.311 X(o=-0.31,f=-0.11) USER MOD Single : A 56 SER OG : rot -20:sc= -1.48! USER MOD Single : A 57 ASN : amide:sc= -0.0296 X(o=-0.03,f=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -2.29 K(o=-2.3,f=-6!) USER MOD Single : A 69 HIS :FLIP no HD1:sc= -1.34 F(o=-2.9!,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.726 -17.246 -17.341 1.00 32.07 N ATOM 2 CA GLY A 1 -20.196 -17.278 -18.733 1.00 31.84 C ATOM 3 C GLY A 1 -19.855 -15.861 -19.204 1.00 30.90 C ATOM 4 O GLY A 1 -20.136 -15.496 -20.329 1.00 32.46 O ATOM 0 H1 GLY A 1 -21.063 -18.193 -17.076 1.00 32.07 H new ATOM 0 H2 GLY A 1 -19.971 -16.953 -16.689 1.00 32.07 H new ATOM 0 H3 GLY A 1 -21.514 -16.570 -17.285 1.00 32.07 H new ATOM 0 HA2 GLY A 1 -19.307 -17.907 -18.777 1.00 31.84 H new ATOM 0 HA3 GLY A 1 -20.934 -17.723 -19.400 1.00 31.84 H new ATOM 10 N SER A 2 -19.262 -15.088 -18.333 1.00 28.41 N ATOM 11 CA SER A 2 -18.898 -13.698 -18.715 1.00 27.41 C ATOM 12 C SER A 2 -17.573 -13.276 -18.063 1.00 24.57 C ATOM 13 O SER A 2 -17.532 -12.342 -17.288 1.00 22.81 O ATOM 14 CB SER A 2 -20.011 -12.763 -18.223 1.00 27.68 C ATOM 15 OG SER A 2 -21.210 -13.424 -18.603 1.00 30.21 O ATOM 0 H SER A 2 -19.017 -15.359 -17.381 1.00 28.41 H new ATOM 0 HA SER A 2 -18.782 -13.643 -19.797 1.00 27.41 H new ATOM 0 HB2 SER A 2 -19.961 -12.617 -17.144 1.00 27.68 H new ATOM 0 HB3 SER A 2 -19.936 -11.777 -18.682 1.00 27.68 H new ATOM 0 HG SER A 2 -21.982 -12.889 -18.322 1.00 30.21 H new ATOM 21 N PRO A 3 -16.507 -13.980 -18.396 1.00 24.40 N ATOM 22 CA PRO A 3 -15.168 -13.685 -17.844 1.00 21.98 C ATOM 23 C PRO A 3 -14.609 -12.363 -18.364 1.00 20.67 C ATOM 24 O PRO A 3 -13.416 -12.140 -18.345 1.00 20.57 O ATOM 25 CB PRO A 3 -14.279 -14.833 -18.353 1.00 23.20 C ATOM 26 CG PRO A 3 -15.107 -15.652 -19.374 1.00 26.17 C ATOM 27 CD PRO A 3 -16.549 -15.130 -19.326 1.00 26.85 C ATOM 0 HA PRO A 3 -15.208 -13.602 -16.758 1.00 21.98 H new ATOM 0 HB2 PRO A 3 -13.376 -14.439 -18.820 1.00 23.20 H new ATOM 0 HB3 PRO A 3 -13.959 -15.465 -17.525 1.00 23.20 H new ATOM 0 HG2 PRO A 3 -14.694 -15.544 -20.377 1.00 26.17 H new ATOM 0 HG3 PRO A 3 -15.076 -16.714 -19.129 1.00 26.17 H new ATOM 0 HD2 PRO A 3 -16.892 -14.826 -20.315 1.00 26.85 H new ATOM 0 HD3 PRO A 3 -17.236 -15.899 -18.973 1.00 26.85 H new ATOM 35 N THR A 4 -15.481 -11.509 -18.806 1.00 19.78 N ATOM 36 CA THR A 4 -15.016 -10.200 -19.332 1.00 18.58 C ATOM 37 C THR A 4 -14.770 -9.185 -18.219 1.00 15.93 C ATOM 38 O THR A 4 -15.638 -8.402 -17.900 1.00 15.46 O ATOM 39 CB THR A 4 -16.101 -9.637 -20.248 1.00 19.84 C ATOM 40 OG1 THR A 4 -17.244 -9.482 -19.422 1.00 20.64 O ATOM 41 CG2 THR A 4 -16.519 -10.672 -21.296 1.00 22.37 C ATOM 0 H THR A 4 -16.490 -11.657 -18.827 1.00 19.78 H new ATOM 0 HA THR A 4 -14.076 -10.366 -19.859 1.00 18.58 H new ATOM 0 HB THR A 4 -15.743 -8.728 -20.731 1.00 19.84 H new ATOM 0 HG1 THR A 4 -17.104 -8.732 -18.808 1.00 20.64 H new ATOM 0 HG21 THR A 4 -17.293 -10.249 -21.937 1.00 22.37 H new ATOM 0 HG22 THR A 4 -15.655 -10.946 -21.902 1.00 22.37 H new ATOM 0 HG23 THR A 4 -16.907 -11.559 -20.796 1.00 22.37 H new ATOM 49 N PHE A 5 -13.588 -9.221 -17.655 1.00 14.32 N ATOM 50 CA PHE A 5 -13.245 -8.267 -16.552 1.00 11.83 C ATOM 51 C PHE A 5 -11.843 -8.563 -16.006 1.00 9.61 C ATOM 52 O PHE A 5 -11.241 -9.563 -16.343 1.00 10.08 O ATOM 53 CB PHE A 5 -14.260 -8.407 -15.393 1.00 12.78 C ATOM 54 CG PHE A 5 -14.736 -7.016 -14.931 1.00 12.10 C ATOM 55 CD1 PHE A 5 -15.286 -6.111 -15.830 1.00 11.17 C ATOM 56 CD2 PHE A 5 -14.642 -6.651 -13.597 1.00 12.63 C ATOM 57 CE1 PHE A 5 -15.730 -4.877 -15.404 1.00 10.73 C ATOM 58 CE2 PHE A 5 -15.089 -5.413 -13.175 1.00 12.26 C ATOM 59 CZ PHE A 5 -15.631 -4.528 -14.078 1.00 11.29 C ATOM 0 H PHE A 5 -12.844 -9.870 -17.910 1.00 14.32 H new ATOM 0 HA PHE A 5 -13.277 -7.256 -16.957 1.00 11.83 H new ATOM 0 HB2 PHE A 5 -15.114 -9.002 -15.717 1.00 12.78 H new ATOM 0 HB3 PHE A 5 -13.800 -8.937 -14.559 1.00 12.78 H new ATOM 0 HD1 PHE A 5 -15.367 -6.377 -16.874 1.00 11.17 H new ATOM 0 HD2 PHE A 5 -14.216 -7.339 -12.882 1.00 12.63 H new ATOM 0 HE1 PHE A 5 -16.156 -4.183 -16.113 1.00 10.73 H new ATOM 0 HE2 PHE A 5 -15.013 -5.140 -12.133 1.00 12.26 H new ATOM 0 HZ PHE A 5 -15.978 -3.561 -13.746 1.00 11.29 H new ATOM 69 N LYS A 6 -11.350 -7.675 -15.186 1.00 7.43 N ATOM 70 CA LYS A 6 -9.995 -7.877 -14.600 1.00 5.13 C ATOM 71 C LYS A 6 -9.877 -7.097 -13.292 1.00 3.94 C ATOM 72 O LYS A 6 -10.464 -6.043 -13.144 1.00 4.68 O ATOM 73 CB LYS A 6 -8.936 -7.373 -15.599 1.00 5.02 C ATOM 74 CG LYS A 6 -9.080 -5.857 -15.781 1.00 5.20 C ATOM 75 CD LYS A 6 -8.967 -5.502 -17.273 1.00 5.71 C ATOM 76 CE LYS A 6 -7.558 -5.833 -17.786 1.00 4.71 C ATOM 77 NZ LYS A 6 -6.525 -5.414 -16.798 1.00 5.10 N ATOM 0 H LYS A 6 -11.826 -6.820 -14.897 1.00 7.43 H new ATOM 0 HA LYS A 6 -9.837 -8.937 -14.398 1.00 5.13 H new ATOM 0 HB2 LYS A 6 -7.936 -7.612 -15.236 1.00 5.02 H new ATOM 0 HB3 LYS A 6 -9.057 -7.878 -16.558 1.00 5.02 H new ATOM 0 HG2 LYS A 6 -10.041 -5.524 -15.390 1.00 5.20 H new ATOM 0 HG3 LYS A 6 -8.307 -5.338 -15.214 1.00 5.20 H new ATOM 0 HD2 LYS A 6 -9.711 -6.057 -17.845 1.00 5.71 H new ATOM 0 HD3 LYS A 6 -9.177 -4.443 -17.420 1.00 5.71 H new ATOM 0 HE2 LYS A 6 -7.476 -6.904 -17.973 1.00 4.71 H new ATOM 0 HE3 LYS A 6 -7.384 -5.329 -18.737 1.00 4.71 H new ATOM 0 HZ1 LYS A 6 -5.616 -5.276 -17.284 1.00 5.10 H new ATOM 0 HZ2 LYS A 6 -6.816 -4.522 -16.348 1.00 5.10 H new ATOM 0 HZ3 LYS A 6 -6.421 -6.150 -16.071 1.00 5.10 H new ATOM 91 N CYS A 7 -9.124 -7.619 -12.357 1.00 2.23 N ATOM 92 CA CYS A 7 -8.986 -6.893 -11.065 1.00 1.07 C ATOM 93 C CYS A 7 -7.852 -7.449 -10.202 1.00 0.80 C ATOM 94 O CYS A 7 -7.147 -8.358 -10.592 1.00 0.74 O ATOM 95 CB CYS A 7 -10.292 -7.080 -10.288 1.00 1.68 C ATOM 96 SG CYS A 7 -11.517 -8.231 -10.966 1.00 1.36 S ATOM 0 H CYS A 7 -8.610 -8.497 -12.431 1.00 2.23 H new ATOM 0 HA CYS A 7 -8.767 -5.848 -11.284 1.00 1.07 H new ATOM 0 HB2 CYS A 7 -10.039 -7.414 -9.282 1.00 1.68 H new ATOM 0 HB3 CYS A 7 -10.767 -6.104 -10.190 1.00 1.68 H new ATOM 0 HG CYS A 7 -12.555 -8.269 -10.185 1.00 1.36 H new ATOM 102 N ALA A 8 -7.714 -6.871 -9.033 1.00 1.04 N ATOM 103 CA ALA A 8 -6.652 -7.312 -8.087 1.00 0.83 C ATOM 104 C ALA A 8 -7.256 -7.529 -6.700 1.00 0.66 C ATOM 105 O ALA A 8 -8.428 -7.281 -6.493 1.00 0.79 O ATOM 106 CB ALA A 8 -5.586 -6.212 -7.994 1.00 1.09 C ATOM 0 H ALA A 8 -8.299 -6.107 -8.695 1.00 1.04 H new ATOM 0 HA ALA A 8 -6.210 -8.243 -8.443 1.00 0.83 H new ATOM 0 HB1 ALA A 8 -4.802 -6.523 -7.304 1.00 1.09 H new ATOM 0 HB2 ALA A 8 -5.154 -6.039 -8.980 1.00 1.09 H new ATOM 0 HB3 ALA A 8 -6.044 -5.291 -7.632 1.00 1.09 H new ATOM 112 N VAL A 9 -6.455 -7.981 -5.773 1.00 0.49 N ATOM 113 CA VAL A 9 -6.983 -8.215 -4.407 1.00 0.37 C ATOM 114 C VAL A 9 -5.917 -7.970 -3.359 1.00 0.38 C ATOM 115 O VAL A 9 -4.823 -7.535 -3.649 1.00 0.48 O ATOM 116 CB VAL A 9 -7.364 -9.694 -4.257 1.00 0.21 C ATOM 117 CG1 VAL A 9 -8.770 -9.782 -3.680 1.00 2.04 C ATOM 118 CG2 VAL A 9 -7.298 -10.417 -5.607 1.00 2.28 C ATOM 0 H VAL A 9 -5.467 -8.196 -5.905 1.00 0.49 H new ATOM 0 HA VAL A 9 -7.830 -7.543 -4.270 1.00 0.37 H new ATOM 0 HB VAL A 9 -6.656 -10.180 -3.586 1.00 0.21 H new ATOM 0 HG11 VAL A 9 -9.053 -10.829 -3.569 1.00 2.04 H new ATOM 0 HG12 VAL A 9 -8.795 -9.294 -2.706 1.00 2.04 H new ATOM 0 HG13 VAL A 9 -9.471 -9.287 -4.352 1.00 2.04 H new ATOM 0 HG21 VAL A 9 -7.572 -11.463 -5.473 1.00 2.28 H new ATOM 0 HG22 VAL A 9 -7.990 -9.947 -6.306 1.00 2.28 H new ATOM 0 HG23 VAL A 9 -6.285 -10.356 -6.003 1.00 2.28 H new ATOM 128 N LYS A 10 -6.286 -8.269 -2.155 1.00 0.33 N ATOM 129 CA LYS A 10 -5.354 -8.094 -1.019 1.00 0.35 C ATOM 130 C LYS A 10 -5.671 -9.152 0.056 1.00 0.28 C ATOM 131 O LYS A 10 -6.393 -8.890 0.993 1.00 0.23 O ATOM 132 CB LYS A 10 -5.544 -6.691 -0.430 1.00 0.42 C ATOM 133 CG LYS A 10 -4.306 -6.324 0.393 1.00 0.48 C ATOM 134 CD LYS A 10 -4.742 -5.654 1.696 1.00 0.66 C ATOM 135 CE LYS A 10 -3.504 -5.337 2.533 1.00 1.49 C ATOM 136 NZ LYS A 10 -3.633 -3.994 3.161 1.00 1.17 N ATOM 0 H LYS A 10 -7.206 -8.632 -1.905 1.00 0.33 H new ATOM 0 HA LYS A 10 -4.324 -8.212 -1.356 1.00 0.35 H new ATOM 0 HB2 LYS A 10 -5.694 -5.965 -1.229 1.00 0.42 H new ATOM 0 HB3 LYS A 10 -6.435 -6.664 0.197 1.00 0.42 H new ATOM 0 HG2 LYS A 10 -3.721 -7.218 0.609 1.00 0.48 H new ATOM 0 HG3 LYS A 10 -3.663 -5.653 -0.176 1.00 0.48 H new ATOM 0 HD2 LYS A 10 -5.295 -4.740 1.482 1.00 0.66 H new ATOM 0 HD3 LYS A 10 -5.413 -6.310 2.250 1.00 0.66 H new ATOM 0 HE2 LYS A 10 -3.375 -6.096 3.305 1.00 1.49 H new ATOM 0 HE3 LYS A 10 -2.614 -5.368 1.904 1.00 1.49 H new ATOM 0 HZ1 LYS A 10 -2.784 -3.792 3.727 1.00 1.17 H new ATOM 0 HZ2 LYS A 10 -3.734 -3.272 2.419 1.00 1.17 H new ATOM 0 HZ3 LYS A 10 -4.471 -3.978 3.777 1.00 1.17 H new ATOM 150 N ALA A 11 -5.131 -10.332 -0.123 1.00 0.27 N ATOM 151 CA ALA A 11 -5.366 -11.450 0.850 1.00 0.21 C ATOM 152 C ALA A 11 -5.464 -10.990 2.299 1.00 0.14 C ATOM 153 O ALA A 11 -4.574 -10.352 2.825 1.00 0.27 O ATOM 154 CB ALA A 11 -4.182 -12.406 0.742 1.00 0.27 C ATOM 0 H ALA A 11 -4.530 -10.573 -0.911 1.00 0.27 H new ATOM 0 HA ALA A 11 -6.320 -11.912 0.595 1.00 0.21 H new ATOM 0 HB1 ALA A 11 -4.318 -13.234 1.437 1.00 0.27 H new ATOM 0 HB2 ALA A 11 -4.118 -12.793 -0.275 1.00 0.27 H new ATOM 0 HB3 ALA A 11 -3.262 -11.875 0.986 1.00 0.27 H new ATOM 160 N LEU A 12 -6.563 -11.336 2.915 1.00 0.17 N ATOM 161 CA LEU A 12 -6.763 -10.947 4.333 1.00 0.27 C ATOM 162 C LEU A 12 -6.362 -12.117 5.209 1.00 0.42 C ATOM 163 O LEU A 12 -5.861 -11.947 6.302 1.00 0.63 O ATOM 164 CB LEU A 12 -8.255 -10.666 4.593 1.00 0.21 C ATOM 165 CG LEU A 12 -8.813 -9.753 3.503 1.00 0.31 C ATOM 166 CD1 LEU A 12 -10.300 -9.521 3.774 1.00 0.58 C ATOM 167 CD2 LEU A 12 -8.088 -8.404 3.561 1.00 0.57 C ATOM 0 H LEU A 12 -7.325 -11.869 2.496 1.00 0.17 H new ATOM 0 HA LEU A 12 -6.169 -10.059 4.551 1.00 0.27 H new ATOM 0 HB2 LEU A 12 -8.812 -11.603 4.614 1.00 0.21 H new ATOM 0 HB3 LEU A 12 -8.381 -10.199 5.570 1.00 0.21 H new ATOM 0 HG LEU A 12 -8.672 -10.211 2.524 1.00 0.31 H new ATOM 0 HD11 LEU A 12 -10.713 -8.870 3.003 1.00 0.58 H new ATOM 0 HD12 LEU A 12 -10.825 -10.476 3.762 1.00 0.58 H new ATOM 0 HD13 LEU A 12 -10.423 -9.051 4.750 1.00 0.58 H new ATOM 0 HD21 LEU A 12 -8.481 -7.746 2.786 1.00 0.57 H new ATOM 0 HD22 LEU A 12 -8.246 -7.948 4.538 1.00 0.57 H new ATOM 0 HD23 LEU A 12 -7.021 -8.557 3.400 1.00 0.57 H new ATOM 179 N PHE A 13 -6.613 -13.297 4.700 1.00 0.49 N ATOM 180 CA PHE A 13 -6.266 -14.528 5.471 1.00 0.77 C ATOM 181 C PHE A 13 -5.001 -15.172 4.911 1.00 0.75 C ATOM 182 O PHE A 13 -4.855 -15.317 3.713 1.00 1.49 O ATOM 183 CB PHE A 13 -7.413 -15.554 5.321 1.00 0.99 C ATOM 184 CG PHE A 13 -8.732 -15.096 5.990 1.00 0.83 C ATOM 185 CD1 PHE A 13 -8.893 -13.836 6.558 1.00 0.86 C ATOM 186 CD2 PHE A 13 -9.812 -15.966 6.007 1.00 0.98 C ATOM 187 CE1 PHE A 13 -10.093 -13.462 7.109 1.00 0.86 C ATOM 188 CE2 PHE A 13 -11.017 -15.585 6.564 1.00 1.24 C ATOM 189 CZ PHE A 13 -11.157 -14.334 7.116 1.00 1.12 C ATOM 0 H PHE A 13 -7.041 -13.460 3.789 1.00 0.49 H new ATOM 0 HA PHE A 13 -6.112 -14.250 6.514 1.00 0.77 H new ATOM 0 HB2 PHE A 13 -7.594 -15.735 4.261 1.00 0.99 H new ATOM 0 HB3 PHE A 13 -7.102 -16.503 5.757 1.00 0.99 H new ATOM 0 HD1 PHE A 13 -8.064 -13.144 6.565 1.00 0.86 H new ATOM 0 HD2 PHE A 13 -9.710 -16.953 5.580 1.00 0.98 H new ATOM 0 HE1 PHE A 13 -10.203 -12.478 7.540 1.00 0.86 H new ATOM 0 HE2 PHE A 13 -11.851 -16.271 6.566 1.00 1.24 H new ATOM 0 HZ PHE A 13 -12.099 -14.037 7.554 1.00 1.12 H new ATOM 199 N ASP A 14 -4.111 -15.554 5.784 1.00 0.30 N ATOM 200 CA ASP A 14 -2.856 -16.189 5.307 1.00 0.39 C ATOM 201 C ASP A 14 -3.140 -17.571 4.715 1.00 0.43 C ATOM 202 O ASP A 14 -4.209 -18.115 4.890 1.00 0.67 O ATOM 203 CB ASP A 14 -1.899 -16.344 6.496 1.00 0.43 C ATOM 204 CG ASP A 14 -2.353 -17.526 7.354 1.00 1.28 C ATOM 205 OD1 ASP A 14 -3.549 -17.773 7.343 1.00 2.59 O ATOM 206 OD2 ASP A 14 -1.481 -18.115 7.971 1.00 1.83 O ATOM 0 H ASP A 14 -4.198 -15.455 6.795 1.00 0.30 H new ATOM 0 HA ASP A 14 -2.413 -15.561 4.534 1.00 0.39 H new ATOM 0 HB2 ASP A 14 -0.881 -16.506 6.141 1.00 0.43 H new ATOM 0 HB3 ASP A 14 -1.887 -15.431 7.091 1.00 0.43 H new ATOM 211 N TYR A 15 -2.173 -18.105 4.024 1.00 0.41 N ATOM 212 CA TYR A 15 -2.348 -19.448 3.406 1.00 0.44 C ATOM 213 C TYR A 15 -1.038 -20.231 3.513 1.00 0.50 C ATOM 214 O TYR A 15 -0.018 -19.683 3.884 1.00 0.51 O ATOM 215 CB TYR A 15 -2.697 -19.250 1.919 1.00 0.39 C ATOM 216 CG TYR A 15 -3.415 -20.488 1.370 1.00 0.41 C ATOM 217 CD1 TYR A 15 -2.702 -21.616 1.057 1.00 0.44 C ATOM 218 CD2 TYR A 15 -4.789 -20.507 1.233 1.00 0.40 C ATOM 219 CE1 TYR A 15 -3.322 -22.750 0.639 1.00 0.46 C ATOM 220 CE2 TYR A 15 -5.435 -21.660 0.797 1.00 0.43 C ATOM 221 CZ TYR A 15 -4.694 -22.798 0.504 1.00 0.46 C ATOM 222 OH TYR A 15 -5.315 -23.979 0.157 1.00 0.49 O ATOM 0 H TYR A 15 -1.266 -17.668 3.860 1.00 0.41 H new ATOM 0 HA TYR A 15 -3.140 -19.998 3.915 1.00 0.44 H new ATOM 0 HB2 TYR A 15 -3.332 -18.372 1.802 1.00 0.39 H new ATOM 0 HB3 TYR A 15 -1.788 -19.065 1.347 1.00 0.39 H new ATOM 0 HD1 TYR A 15 -1.626 -21.603 1.144 1.00 0.44 H new ATOM 0 HD2 TYR A 15 -5.365 -19.623 1.465 1.00 0.40 H new ATOM 0 HE1 TYR A 15 -2.733 -23.626 0.409 1.00 0.46 H new ATOM 0 HE2 TYR A 15 -6.509 -21.670 0.687 1.00 0.43 H new ATOM 0 HH TYR A 15 -4.654 -24.599 -0.216 1.00 0.49 H new ATOM 232 N LYS A 16 -1.087 -21.491 3.190 1.00 0.53 N ATOM 233 CA LYS A 16 0.156 -22.309 3.272 1.00 0.56 C ATOM 234 C LYS A 16 0.196 -23.457 2.256 1.00 0.53 C ATOM 235 O LYS A 16 0.252 -24.610 2.632 1.00 0.53 O ATOM 236 CB LYS A 16 0.255 -22.900 4.685 1.00 0.64 C ATOM 237 CG LYS A 16 1.642 -23.531 4.879 1.00 0.48 C ATOM 238 CD LYS A 16 1.480 -24.968 5.385 1.00 1.03 C ATOM 239 CE LYS A 16 2.856 -25.629 5.467 1.00 2.38 C ATOM 240 NZ LYS A 16 3.695 -24.960 6.497 1.00 2.11 N ATOM 0 H LYS A 16 -1.922 -21.987 2.876 1.00 0.53 H new ATOM 0 HA LYS A 16 0.994 -21.650 3.043 1.00 0.56 H new ATOM 0 HB2 LYS A 16 0.091 -22.121 5.429 1.00 0.64 H new ATOM 0 HB3 LYS A 16 -0.522 -23.650 4.832 1.00 0.64 H new ATOM 0 HG2 LYS A 16 2.192 -23.525 3.938 1.00 0.48 H new ATOM 0 HG3 LYS A 16 2.224 -22.946 5.592 1.00 0.48 H new ATOM 0 HD2 LYS A 16 1.003 -24.970 6.365 1.00 1.03 H new ATOM 0 HD3 LYS A 16 0.832 -25.532 4.714 1.00 1.03 H new ATOM 0 HE2 LYS A 16 2.744 -26.686 5.711 1.00 2.38 H new ATOM 0 HE3 LYS A 16 3.350 -25.576 4.497 1.00 2.38 H new ATOM 0 HZ1 LYS A 16 4.513 -25.561 6.722 1.00 2.11 H new ATOM 0 HZ2 LYS A 16 4.028 -24.044 6.133 1.00 2.11 H new ATOM 0 HZ3 LYS A 16 3.131 -24.806 7.357 1.00 2.11 H new ATOM 254 N ALA A 17 0.163 -23.125 0.988 1.00 0.50 N ATOM 255 CA ALA A 17 0.209 -24.192 -0.053 1.00 0.47 C ATOM 256 C ALA A 17 1.588 -24.202 -0.639 1.00 0.48 C ATOM 257 O ALA A 17 2.231 -25.223 -0.754 1.00 0.55 O ATOM 258 CB ALA A 17 -0.720 -23.873 -1.219 1.00 0.52 C ATOM 0 H ALA A 17 0.107 -22.170 0.634 1.00 0.50 H new ATOM 0 HA ALA A 17 -0.078 -25.133 0.416 1.00 0.47 H new ATOM 0 HB1 ALA A 17 -0.662 -24.671 -1.959 1.00 0.52 H new ATOM 0 HB2 ALA A 17 -1.744 -23.789 -0.856 1.00 0.52 H new ATOM 0 HB3 ALA A 17 -0.419 -22.931 -1.677 1.00 0.52 H new ATOM 264 N GLN A 18 1.977 -23.019 -1.006 1.00 0.47 N ATOM 265 CA GLN A 18 3.320 -22.799 -1.615 1.00 0.53 C ATOM 266 C GLN A 18 3.271 -23.148 -3.094 1.00 0.42 C ATOM 267 O GLN A 18 3.876 -22.487 -3.914 1.00 0.48 O ATOM 268 CB GLN A 18 4.336 -23.717 -0.916 1.00 0.53 C ATOM 269 CG GLN A 18 5.757 -23.127 -0.959 1.00 0.69 C ATOM 270 CD GLN A 18 6.465 -23.459 0.358 1.00 0.74 C ATOM 271 OE1 GLN A 18 6.204 -24.595 0.947 1.00 0.71 O flip ATOM 272 NE2 GLN A 18 7.259 -22.689 0.860 1.00 1.13 N flip ATOM 0 H GLN A 18 1.412 -22.175 -0.909 1.00 0.47 H new ATOM 0 HA GLN A 18 3.612 -21.755 -1.498 1.00 0.53 H new ATOM 0 HB2 GLN A 18 4.036 -23.870 0.121 1.00 0.53 H new ATOM 0 HB3 GLN A 18 4.333 -24.696 -1.396 1.00 0.53 H new ATOM 0 HG2 GLN A 18 6.312 -23.540 -1.801 1.00 0.69 H new ATOM 0 HG3 GLN A 18 5.714 -22.047 -1.104 1.00 0.69 H new ATOM 0 HE21 GLN A 18 7.466 -21.801 0.404 1.00 1.13 H new ATOM 0 HE22 GLN A 18 7.719 -22.931 1.738 1.00 1.13 H new ATOM 281 N ARG A 19 2.540 -24.184 -3.401 1.00 0.28 N ATOM 282 CA ARG A 19 2.427 -24.607 -4.819 1.00 0.20 C ATOM 283 C ARG A 19 1.556 -25.854 -4.941 1.00 0.30 C ATOM 284 O ARG A 19 2.052 -26.925 -5.226 1.00 0.20 O ATOM 285 CB ARG A 19 3.827 -24.926 -5.369 1.00 0.12 C ATOM 286 CG ARG A 19 4.627 -25.696 -4.319 1.00 2.63 C ATOM 287 CD ARG A 19 5.556 -26.686 -5.031 1.00 2.81 C ATOM 288 NE ARG A 19 4.732 -27.746 -5.679 1.00 2.58 N ATOM 289 CZ ARG A 19 5.300 -28.860 -6.055 1.00 2.41 C ATOM 290 NH1 ARG A 19 6.590 -28.990 -5.920 1.00 2.04 N ATOM 291 NH2 ARG A 19 4.556 -29.801 -6.567 1.00 2.66 N ATOM 0 H ARG A 19 2.019 -24.752 -2.732 1.00 0.28 H new ATOM 0 HA ARG A 19 1.971 -23.796 -5.387 1.00 0.20 H new ATOM 0 HB2 ARG A 19 3.744 -25.515 -6.282 1.00 0.12 H new ATOM 0 HB3 ARG A 19 4.345 -24.003 -5.631 1.00 0.12 H new ATOM 0 HG2 ARG A 19 5.209 -25.006 -3.707 1.00 2.63 H new ATOM 0 HG3 ARG A 19 3.953 -26.228 -3.647 1.00 2.63 H new ATOM 0 HD2 ARG A 19 6.157 -26.167 -5.778 1.00 2.81 H new ATOM 0 HD3 ARG A 19 6.249 -27.132 -4.317 1.00 2.81 H new ATOM 0 HE ARG A 19 3.733 -27.602 -5.827 1.00 2.58 H new ATOM 0 HH11 ARG A 19 7.141 -28.228 -5.525 1.00 2.04 H new ATOM 0 HH12 ARG A 19 7.049 -29.854 -6.209 1.00 2.04 H new ATOM 0 HH21 ARG A 19 3.551 -29.659 -6.667 1.00 2.66 H new ATOM 0 HH22 ARG A 19 4.979 -30.679 -6.867 1.00 2.66 H new ATOM 305 N GLU A 20 0.273 -25.691 -4.717 1.00 0.56 N ATOM 306 CA GLU A 20 -0.647 -26.876 -4.822 1.00 0.68 C ATOM 307 C GLU A 20 -1.830 -26.491 -5.658 1.00 0.55 C ATOM 308 O GLU A 20 -2.888 -27.074 -5.571 1.00 0.49 O ATOM 309 CB GLU A 20 -1.148 -27.281 -3.429 1.00 0.69 C ATOM 310 CG GLU A 20 -2.355 -26.424 -3.003 1.00 0.43 C ATOM 311 CD GLU A 20 -2.614 -26.676 -1.515 1.00 2.08 C ATOM 312 OE1 GLU A 20 -1.889 -27.492 -0.968 1.00 2.46 O ATOM 313 OE2 GLU A 20 -3.524 -26.041 -1.006 1.00 3.08 O ATOM 0 H GLU A 20 -0.173 -24.808 -4.470 1.00 0.56 H new ATOM 0 HA GLU A 20 -0.108 -27.711 -5.271 1.00 0.68 H new ATOM 0 HB2 GLU A 20 -1.429 -28.334 -3.432 1.00 0.69 H new ATOM 0 HB3 GLU A 20 -0.343 -27.168 -2.703 1.00 0.69 H new ATOM 0 HG2 GLU A 20 -2.154 -25.368 -3.181 1.00 0.43 H new ATOM 0 HG3 GLU A 20 -3.234 -26.685 -3.592 1.00 0.43 H new ATOM 320 N ASP A 21 -1.571 -25.550 -6.500 1.00 0.68 N ATOM 321 CA ASP A 21 -2.605 -25.018 -7.402 1.00 0.62 C ATOM 322 C ASP A 21 -3.172 -23.863 -6.592 1.00 0.75 C ATOM 323 O ASP A 21 -3.971 -23.075 -7.030 1.00 1.80 O ATOM 324 CB ASP A 21 -3.671 -26.082 -7.746 1.00 0.54 C ATOM 325 CG ASP A 21 -4.263 -25.791 -9.125 1.00 2.14 C ATOM 326 OD1 ASP A 21 -3.475 -25.465 -9.997 1.00 2.33 O ATOM 327 OD2 ASP A 21 -5.472 -25.919 -9.233 1.00 3.64 O ATOM 0 H ASP A 21 -0.655 -25.113 -6.603 1.00 0.68 H new ATOM 0 HA ASP A 21 -2.225 -24.711 -8.376 1.00 0.62 H new ATOM 0 HB2 ASP A 21 -3.224 -27.076 -7.734 1.00 0.54 H new ATOM 0 HB3 ASP A 21 -4.459 -26.078 -6.993 1.00 0.54 H new ATOM 332 N GLU A 22 -2.651 -23.815 -5.385 1.00 0.57 N ATOM 333 CA GLU A 22 -3.013 -22.784 -4.383 1.00 0.36 C ATOM 334 C GLU A 22 -1.651 -22.289 -3.850 1.00 0.33 C ATOM 335 O GLU A 22 -0.668 -22.954 -4.103 1.00 0.32 O ATOM 336 CB GLU A 22 -3.858 -23.447 -3.268 1.00 0.45 C ATOM 337 CG GLU A 22 -5.106 -22.607 -2.962 1.00 0.33 C ATOM 338 CD GLU A 22 -6.107 -23.428 -2.152 1.00 0.36 C ATOM 339 OE1 GLU A 22 -6.048 -24.641 -2.272 1.00 0.45 O ATOM 340 OE2 GLU A 22 -6.880 -22.793 -1.451 1.00 0.80 O ATOM 0 H GLU A 22 -1.959 -24.485 -5.050 1.00 0.57 H new ATOM 0 HA GLU A 22 -3.607 -21.962 -4.782 1.00 0.36 H new ATOM 0 HB2 GLU A 22 -4.155 -24.449 -3.577 1.00 0.45 H new ATOM 0 HB3 GLU A 22 -3.257 -23.557 -2.365 1.00 0.45 H new ATOM 0 HG2 GLU A 22 -4.824 -21.712 -2.407 1.00 0.33 H new ATOM 0 HG3 GLU A 22 -5.566 -22.273 -3.892 1.00 0.33 H new ATOM 347 N LEU A 23 -1.564 -21.153 -3.175 1.00 0.33 N ATOM 348 CA LEU A 23 -0.196 -20.712 -2.683 1.00 0.31 C ATOM 349 C LEU A 23 -0.195 -20.396 -1.205 1.00 0.36 C ATOM 350 O LEU A 23 -1.230 -20.211 -0.608 1.00 0.38 O ATOM 351 CB LEU A 23 0.282 -19.422 -3.383 1.00 0.25 C ATOM 352 CG LEU A 23 -0.316 -19.303 -4.787 1.00 0.27 C ATOM 353 CD1 LEU A 23 -1.109 -17.997 -4.993 1.00 0.20 C ATOM 354 CD2 LEU A 23 0.843 -19.355 -5.775 1.00 0.35 C ATOM 0 H LEU A 23 -2.342 -20.533 -2.949 1.00 0.33 H new ATOM 0 HA LEU A 23 0.461 -21.552 -2.906 1.00 0.31 H new ATOM 0 HB2 LEU A 23 -0.004 -18.554 -2.788 1.00 0.25 H new ATOM 0 HB3 LEU A 23 1.370 -19.421 -3.447 1.00 0.25 H new ATOM 0 HG LEU A 23 -1.023 -20.119 -4.937 1.00 0.27 H new ATOM 0 HD11 LEU A 23 -1.509 -17.970 -6.007 1.00 0.20 H new ATOM 0 HD12 LEU A 23 -1.931 -17.954 -4.278 1.00 0.20 H new ATOM 0 HD13 LEU A 23 -0.449 -17.143 -4.840 1.00 0.20 H new ATOM 0 HD21 LEU A 23 0.458 -19.273 -6.792 1.00 0.35 H new ATOM 0 HD22 LEU A 23 1.526 -18.529 -5.578 1.00 0.35 H new ATOM 0 HD23 LEU A 23 1.374 -20.300 -5.663 1.00 0.35 H new ATOM 366 N THR A 24 0.988 -20.281 -0.667 1.00 0.37 N ATOM 367 CA THR A 24 1.126 -19.976 0.767 1.00 0.42 C ATOM 368 C THR A 24 1.113 -18.485 0.942 1.00 0.36 C ATOM 369 O THR A 24 1.633 -17.950 1.899 1.00 0.41 O ATOM 370 CB THR A 24 2.469 -20.521 1.262 1.00 0.49 C ATOM 371 OG1 THR A 24 2.603 -20.056 2.593 1.00 0.57 O ATOM 372 CG2 THR A 24 3.622 -19.855 0.509 1.00 0.45 C ATOM 0 H THR A 24 1.868 -20.388 -1.172 1.00 0.37 H new ATOM 0 HA THR A 24 0.310 -20.429 1.330 1.00 0.42 H new ATOM 0 HB THR A 24 2.497 -21.604 1.142 1.00 0.49 H new ATOM 0 HG1 THR A 24 2.705 -19.081 2.590 1.00 0.57 H new ATOM 0 HG21 THR A 24 4.570 -20.252 0.871 1.00 0.45 H new ATOM 0 HG22 THR A 24 3.526 -20.060 -0.557 1.00 0.45 H new ATOM 0 HG23 THR A 24 3.592 -18.778 0.676 1.00 0.45 H new ATOM 380 N PHE A 25 0.511 -17.843 -0.006 1.00 0.27 N ATOM 381 CA PHE A 25 0.440 -16.383 0.068 1.00 0.22 C ATOM 382 C PHE A 25 0.000 -15.965 1.464 1.00 0.25 C ATOM 383 O PHE A 25 -0.823 -16.614 2.078 1.00 0.25 O ATOM 384 CB PHE A 25 -0.519 -15.872 -0.998 1.00 0.16 C ATOM 385 CG PHE A 25 -1.919 -16.447 -0.811 1.00 0.14 C ATOM 386 CD1 PHE A 25 -2.763 -15.978 0.179 1.00 0.11 C ATOM 387 CD2 PHE A 25 -2.378 -17.403 -1.684 1.00 0.17 C ATOM 388 CE1 PHE A 25 -4.053 -16.462 0.277 1.00 0.12 C ATOM 389 CE2 PHE A 25 -3.637 -17.887 -1.601 1.00 0.17 C ATOM 390 CZ PHE A 25 -4.489 -17.421 -0.617 1.00 0.16 C ATOM 0 H PHE A 25 0.070 -18.268 -0.821 1.00 0.27 H new ATOM 0 HA PHE A 25 1.421 -15.947 -0.119 1.00 0.22 H new ATOM 0 HB2 PHE A 25 -0.563 -14.784 -0.958 1.00 0.16 H new ATOM 0 HB3 PHE A 25 -0.143 -16.140 -1.986 1.00 0.16 H new ATOM 0 HD1 PHE A 25 -2.413 -15.232 0.877 1.00 0.11 H new ATOM 0 HD2 PHE A 25 -1.718 -17.776 -2.454 1.00 0.17 H new ATOM 0 HE1 PHE A 25 -4.716 -16.094 1.046 1.00 0.12 H new ATOM 0 HE2 PHE A 25 -3.977 -18.636 -2.301 1.00 0.17 H new ATOM 0 HZ PHE A 25 -5.495 -17.807 -0.547 1.00 0.16 H new ATOM 400 N ILE A 26 0.557 -14.890 1.932 1.00 0.30 N ATOM 401 CA ILE A 26 0.202 -14.404 3.291 1.00 0.33 C ATOM 402 C ILE A 26 -0.711 -13.195 3.253 1.00 0.28 C ATOM 403 O ILE A 26 -1.103 -12.730 2.204 1.00 0.26 O ATOM 404 CB ILE A 26 1.496 -13.973 3.976 1.00 0.45 C ATOM 405 CG1 ILE A 26 2.326 -13.126 3.004 1.00 0.46 C ATOM 406 CG2 ILE A 26 2.284 -15.234 4.344 1.00 0.48 C ATOM 407 CD1 ILE A 26 3.556 -12.559 3.719 1.00 0.63 C ATOM 0 H ILE A 26 1.244 -14.325 1.433 1.00 0.30 H new ATOM 0 HA ILE A 26 -0.315 -15.208 3.815 1.00 0.33 H new ATOM 0 HB ILE A 26 1.276 -13.387 4.868 1.00 0.45 H new ATOM 0 HG12 ILE A 26 2.637 -13.734 2.154 1.00 0.46 H new ATOM 0 HG13 ILE A 26 1.718 -12.312 2.608 1.00 0.46 H new ATOM 0 HG21 ILE A 26 3.215 -14.951 4.836 1.00 0.48 H new ATOM 0 HG22 ILE A 26 1.690 -15.850 5.019 1.00 0.48 H new ATOM 0 HG23 ILE A 26 2.509 -15.799 3.440 1.00 0.48 H new ATOM 0 HD11 ILE A 26 4.139 -11.959 3.020 1.00 0.63 H new ATOM 0 HD12 ILE A 26 3.236 -11.935 4.554 1.00 0.63 H new ATOM 0 HD13 ILE A 26 4.170 -13.379 4.093 1.00 0.63 H new ATOM 419 N LYS A 27 -1.036 -12.712 4.417 1.00 0.36 N ATOM 420 CA LYS A 27 -1.908 -11.542 4.489 1.00 0.30 C ATOM 421 C LYS A 27 -1.174 -10.375 3.891 1.00 0.36 C ATOM 422 O LYS A 27 -0.047 -10.106 4.251 1.00 0.45 O ATOM 423 CB LYS A 27 -2.209 -11.223 5.959 1.00 0.37 C ATOM 424 CG LYS A 27 -3.205 -10.048 6.028 1.00 0.22 C ATOM 425 CD LYS A 27 -3.205 -9.428 7.432 1.00 1.29 C ATOM 426 CE LYS A 27 -3.334 -7.912 7.293 1.00 2.03 C ATOM 427 NZ LYS A 27 -4.519 -7.563 6.461 1.00 2.90 N ATOM 0 H LYS A 27 -0.729 -13.086 5.315 1.00 0.36 H new ATOM 0 HA LYS A 27 -2.838 -11.734 3.954 1.00 0.30 H new ATOM 0 HB2 LYS A 27 -2.626 -12.099 6.456 1.00 0.37 H new ATOM 0 HB3 LYS A 27 -1.289 -10.967 6.484 1.00 0.37 H new ATOM 0 HG2 LYS A 27 -2.937 -9.292 5.290 1.00 0.22 H new ATOM 0 HG3 LYS A 27 -4.207 -10.397 5.778 1.00 0.22 H new ATOM 0 HD2 LYS A 27 -4.031 -9.826 8.022 1.00 1.29 H new ATOM 0 HD3 LYS A 27 -2.285 -9.683 7.959 1.00 1.29 H new ATOM 0 HE2 LYS A 27 -3.428 -7.457 8.279 1.00 2.03 H new ATOM 0 HE3 LYS A 27 -2.431 -7.504 6.839 1.00 2.03 H new ATOM 0 HZ1 LYS A 27 -4.857 -6.614 6.719 1.00 2.90 H new ATOM 0 HZ2 LYS A 27 -4.253 -7.575 5.456 1.00 2.90 H new ATOM 0 HZ3 LYS A 27 -5.276 -8.257 6.627 1.00 2.90 H new ATOM 441 N SER A 28 -1.846 -9.756 2.979 1.00 0.33 N ATOM 442 CA SER A 28 -1.314 -8.571 2.256 1.00 0.41 C ATOM 443 C SER A 28 -0.883 -8.946 0.843 1.00 0.40 C ATOM 444 O SER A 28 -0.446 -8.103 0.091 1.00 0.33 O ATOM 445 CB SER A 28 -0.121 -7.939 2.991 1.00 0.52 C ATOM 446 OG SER A 28 -0.006 -6.654 2.398 1.00 0.60 O ATOM 0 H SER A 28 -2.784 -10.031 2.688 1.00 0.33 H new ATOM 0 HA SER A 28 -2.123 -7.842 2.213 1.00 0.41 H new ATOM 0 HB2 SER A 28 -0.302 -7.871 4.064 1.00 0.52 H new ATOM 0 HB3 SER A 28 0.788 -8.525 2.857 1.00 0.52 H new ATOM 0 HG SER A 28 0.028 -6.746 1.423 1.00 0.60 H new ATOM 452 N ALA A 29 -0.983 -10.210 0.508 1.00 0.49 N ATOM 453 CA ALA A 29 -0.580 -10.620 -0.865 1.00 0.51 C ATOM 454 C ALA A 29 -1.431 -9.847 -1.852 1.00 0.49 C ATOM 455 O ALA A 29 -2.616 -9.718 -1.638 1.00 0.48 O ATOM 456 CB ALA A 29 -0.865 -12.116 -1.048 1.00 0.63 C ATOM 0 H ALA A 29 -1.319 -10.958 1.114 1.00 0.49 H new ATOM 0 HA ALA A 29 0.480 -10.422 -1.023 1.00 0.51 H new ATOM 0 HB1 ALA A 29 -0.572 -12.422 -2.052 1.00 0.63 H new ATOM 0 HB2 ALA A 29 -0.297 -12.687 -0.314 1.00 0.63 H new ATOM 0 HB3 ALA A 29 -1.930 -12.303 -0.908 1.00 0.63 H new ATOM 462 N ILE A 30 -0.839 -9.373 -2.918 1.00 0.50 N ATOM 463 CA ILE A 30 -1.646 -8.608 -3.900 1.00 0.53 C ATOM 464 C ILE A 30 -1.650 -9.315 -5.242 1.00 0.64 C ATOM 465 O ILE A 30 -1.096 -8.846 -6.218 1.00 1.30 O ATOM 466 CB ILE A 30 -1.042 -7.218 -4.054 1.00 0.51 C ATOM 467 CG1 ILE A 30 -0.552 -6.715 -2.701 1.00 0.58 C ATOM 468 CG2 ILE A 30 -2.159 -6.285 -4.527 1.00 0.51 C ATOM 469 CD1 ILE A 30 0.939 -7.026 -2.543 1.00 1.59 C ATOM 0 H ILE A 30 0.150 -9.482 -3.144 1.00 0.50 H new ATOM 0 HA ILE A 30 -2.674 -8.532 -3.545 1.00 0.53 H new ATOM 0 HB ILE A 30 -0.209 -7.246 -4.757 1.00 0.51 H new ATOM 0 HG12 ILE A 30 -0.720 -5.641 -2.619 1.00 0.58 H new ATOM 0 HG13 ILE A 30 -1.119 -7.188 -1.899 1.00 0.58 H new ATOM 0 HG21 ILE A 30 -1.764 -5.277 -4.649 1.00 0.51 H new ATOM 0 HG22 ILE A 30 -2.550 -6.639 -5.481 1.00 0.51 H new ATOM 0 HG23 ILE A 30 -2.961 -6.273 -3.788 1.00 0.51 H new ATOM 0 HD11 ILE A 30 1.285 -6.665 -1.575 1.00 1.59 H new ATOM 0 HD12 ILE A 30 1.095 -8.103 -2.605 1.00 1.59 H new ATOM 0 HD13 ILE A 30 1.500 -6.532 -3.336 1.00 1.59 H new ATOM 481 N ILE A 31 -2.293 -10.437 -5.250 1.00 0.08 N ATOM 482 CA ILE A 31 -2.378 -11.234 -6.486 1.00 0.09 C ATOM 483 C ILE A 31 -3.014 -10.401 -7.609 1.00 0.07 C ATOM 484 O ILE A 31 -3.831 -9.543 -7.335 1.00 0.12 O ATOM 485 CB ILE A 31 -3.232 -12.455 -6.164 1.00 0.15 C ATOM 486 CG1 ILE A 31 -2.635 -13.175 -4.939 1.00 0.19 C ATOM 487 CG2 ILE A 31 -3.191 -13.393 -7.373 1.00 0.24 C ATOM 488 CD1 ILE A 31 -3.565 -14.292 -4.470 1.00 0.20 C ATOM 0 H ILE A 31 -2.769 -10.839 -4.442 1.00 0.08 H new ATOM 0 HA ILE A 31 -1.390 -11.538 -6.830 1.00 0.09 H new ATOM 0 HB ILE A 31 -4.259 -12.161 -5.947 1.00 0.15 H new ATOM 0 HG12 ILE A 31 -1.659 -13.589 -5.193 1.00 0.19 H new ATOM 0 HG13 ILE A 31 -2.478 -12.461 -4.131 1.00 0.19 H new ATOM 0 HG21 ILE A 31 -3.795 -14.277 -7.169 1.00 0.24 H new ATOM 0 HG22 ILE A 31 -3.587 -12.877 -8.248 1.00 0.24 H new ATOM 0 HG23 ILE A 31 -2.161 -13.694 -7.565 1.00 0.24 H new ATOM 0 HD11 ILE A 31 -3.128 -14.790 -3.604 1.00 0.20 H new ATOM 0 HD12 ILE A 31 -4.532 -13.870 -4.196 1.00 0.20 H new ATOM 0 HD13 ILE A 31 -3.700 -15.015 -5.275 1.00 0.20 H new ATOM 500 N GLN A 32 -2.639 -10.662 -8.851 1.00 0.16 N ATOM 501 CA GLN A 32 -3.234 -9.869 -9.976 1.00 0.25 C ATOM 502 C GLN A 32 -3.949 -10.762 -10.989 1.00 0.19 C ATOM 503 O GLN A 32 -3.975 -11.969 -10.846 1.00 0.21 O ATOM 504 CB GLN A 32 -2.097 -9.126 -10.683 1.00 0.55 C ATOM 505 CG GLN A 32 -1.790 -7.839 -9.911 1.00 1.23 C ATOM 506 CD GLN A 32 -0.294 -7.536 -10.015 1.00 0.97 C ATOM 507 OE1 GLN A 32 0.365 -7.266 -9.032 1.00 3.08 O ATOM 508 NE2 GLN A 32 0.277 -7.572 -11.188 1.00 1.12 N ATOM 0 H GLN A 32 -1.962 -11.374 -9.124 1.00 0.16 H new ATOM 0 HA GLN A 32 -3.971 -9.179 -9.565 1.00 0.25 H new ATOM 0 HB2 GLN A 32 -1.209 -9.756 -10.734 1.00 0.55 H new ATOM 0 HB3 GLN A 32 -2.380 -8.892 -11.709 1.00 0.55 H new ATOM 0 HG2 GLN A 32 -2.370 -7.010 -10.316 1.00 1.23 H new ATOM 0 HG3 GLN A 32 -2.079 -7.950 -8.866 1.00 1.23 H new ATOM 0 HE21 GLN A 32 -0.273 -7.799 -12.016 1.00 1.12 H new ATOM 0 HE22 GLN A 32 1.274 -7.374 -11.276 1.00 1.12 H new ATOM 517 N ASN A 33 -4.510 -10.145 -12.003 1.00 0.39 N ATOM 518 CA ASN A 33 -5.230 -10.943 -13.031 1.00 0.58 C ATOM 519 C ASN A 33 -6.133 -11.928 -12.321 1.00 0.62 C ATOM 520 O ASN A 33 -6.091 -13.121 -12.550 1.00 1.12 O ATOM 521 CB ASN A 33 -4.208 -11.703 -13.886 1.00 0.65 C ATOM 522 CG ASN A 33 -4.784 -11.912 -15.287 1.00 0.65 C ATOM 523 OD1 ASN A 33 -5.470 -11.062 -15.822 1.00 1.41 O ATOM 524 ND2 ASN A 33 -4.534 -13.027 -15.914 1.00 1.21 N ATOM 0 H ASN A 33 -4.498 -9.137 -12.157 1.00 0.39 H new ATOM 0 HA ASN A 33 -5.821 -10.292 -13.675 1.00 0.58 H new ATOM 0 HB2 ASN A 33 -3.275 -11.143 -13.943 1.00 0.65 H new ATOM 0 HB3 ASN A 33 -3.975 -12.664 -13.428 1.00 0.65 H new ATOM 0 HD21 ASN A 33 -4.913 -13.183 -16.848 1.00 1.21 H new ATOM 0 HD22 ASN A 33 -3.959 -13.744 -15.471 1.00 1.21 H new ATOM 531 N VAL A 34 -6.942 -11.389 -11.463 1.00 0.73 N ATOM 532 CA VAL A 34 -7.874 -12.233 -10.697 1.00 0.68 C ATOM 533 C VAL A 34 -9.138 -12.572 -11.477 1.00 0.82 C ATOM 534 O VAL A 34 -9.544 -11.847 -12.363 1.00 0.90 O ATOM 535 CB VAL A 34 -8.243 -11.450 -9.447 1.00 0.46 C ATOM 536 CG1 VAL A 34 -9.345 -10.449 -9.783 1.00 1.54 C ATOM 537 CG2 VAL A 34 -8.730 -12.414 -8.378 1.00 0.91 C ATOM 0 H VAL A 34 -6.995 -10.391 -11.261 1.00 0.73 H new ATOM 0 HA VAL A 34 -7.392 -13.183 -10.466 1.00 0.68 H new ATOM 0 HB VAL A 34 -7.370 -10.912 -9.077 1.00 0.46 H new ATOM 0 HG11 VAL A 34 -9.611 -9.887 -8.888 1.00 1.54 H new ATOM 0 HG12 VAL A 34 -8.991 -9.762 -10.551 1.00 1.54 H new ATOM 0 HG13 VAL A 34 -10.222 -10.983 -10.150 1.00 1.54 H new ATOM 0 HG21 VAL A 34 -8.996 -11.857 -7.480 1.00 0.91 H new ATOM 0 HG22 VAL A 34 -9.605 -12.951 -8.744 1.00 0.91 H new ATOM 0 HG23 VAL A 34 -7.939 -13.126 -8.143 1.00 0.91 H new ATOM 547 N GLU A 35 -9.737 -13.676 -11.116 1.00 0.88 N ATOM 548 CA GLU A 35 -10.976 -14.101 -11.809 1.00 1.10 C ATOM 549 C GLU A 35 -11.686 -15.213 -11.010 1.00 0.91 C ATOM 550 O GLU A 35 -11.455 -16.384 -11.231 1.00 0.71 O ATOM 551 CB GLU A 35 -10.569 -14.627 -13.205 1.00 1.39 C ATOM 552 CG GLU A 35 -11.370 -13.912 -14.301 1.00 1.85 C ATOM 553 CD GLU A 35 -10.754 -12.539 -14.574 1.00 2.98 C ATOM 554 OE1 GLU A 35 -9.645 -12.537 -15.084 1.00 3.19 O ATOM 555 OE2 GLU A 35 -11.426 -11.572 -14.262 1.00 4.46 O ATOM 0 H GLU A 35 -9.418 -14.297 -10.372 1.00 0.88 H new ATOM 0 HA GLU A 35 -11.667 -13.263 -11.899 1.00 1.10 H new ATOM 0 HB2 GLU A 35 -9.502 -14.469 -13.363 1.00 1.39 H new ATOM 0 HB3 GLU A 35 -10.743 -15.702 -13.261 1.00 1.39 H new ATOM 0 HG2 GLU A 35 -11.371 -14.509 -15.213 1.00 1.85 H new ATOM 0 HG3 GLU A 35 -12.409 -13.801 -13.992 1.00 1.85 H new ATOM 562 N LYS A 36 -12.511 -14.812 -10.065 1.00 1.04 N ATOM 563 CA LYS A 36 -13.253 -15.816 -9.234 1.00 0.93 C ATOM 564 C LYS A 36 -13.691 -16.981 -10.097 1.00 0.76 C ATOM 565 O LYS A 36 -13.864 -16.845 -11.291 1.00 0.68 O ATOM 566 CB LYS A 36 -14.488 -15.123 -8.649 1.00 1.20 C ATOM 567 CG LYS A 36 -14.215 -13.618 -8.577 1.00 1.42 C ATOM 568 CD LYS A 36 -15.183 -12.970 -7.587 1.00 1.68 C ATOM 569 CE LYS A 36 -15.026 -11.449 -7.653 1.00 1.85 C ATOM 570 NZ LYS A 36 -15.773 -10.796 -6.542 1.00 2.22 N ATOM 0 H LYS A 36 -12.700 -13.836 -9.836 1.00 1.04 H new ATOM 0 HA LYS A 36 -12.610 -16.194 -8.439 1.00 0.93 H new ATOM 0 HB2 LYS A 36 -15.362 -15.320 -9.270 1.00 1.20 H new ATOM 0 HB3 LYS A 36 -14.707 -15.516 -7.656 1.00 1.20 H new ATOM 0 HG2 LYS A 36 -13.186 -13.439 -8.266 1.00 1.42 H new ATOM 0 HG3 LYS A 36 -14.332 -13.169 -9.563 1.00 1.42 H new ATOM 0 HD2 LYS A 36 -16.209 -13.252 -7.825 1.00 1.68 H new ATOM 0 HD3 LYS A 36 -14.981 -13.325 -6.577 1.00 1.68 H new ATOM 0 HE2 LYS A 36 -13.970 -11.184 -7.594 1.00 1.85 H new ATOM 0 HE3 LYS A 36 -15.394 -11.081 -8.611 1.00 1.85 H new ATOM 0 HZ1 LYS A 36 -15.655 -9.765 -6.603 1.00 2.22 H new ATOM 0 HZ2 LYS A 36 -16.783 -11.034 -6.616 1.00 2.22 H new ATOM 0 HZ3 LYS A 36 -15.404 -11.133 -5.630 1.00 2.22 H new ATOM 584 N GLN A 37 -13.862 -18.106 -9.475 1.00 0.71 N ATOM 585 CA GLN A 37 -14.281 -19.286 -10.248 1.00 0.58 C ATOM 586 C GLN A 37 -15.039 -20.279 -9.385 1.00 0.75 C ATOM 587 O GLN A 37 -15.053 -20.182 -8.174 1.00 1.08 O ATOM 588 CB GLN A 37 -13.009 -19.956 -10.765 1.00 0.34 C ATOM 589 CG GLN A 37 -13.285 -20.594 -12.131 1.00 0.74 C ATOM 590 CD GLN A 37 -12.957 -19.589 -13.231 1.00 1.40 C ATOM 591 OE1 GLN A 37 -11.716 -19.218 -13.394 1.00 0.89 O flip ATOM 592 NE2 GLN A 37 -13.823 -19.133 -13.951 1.00 3.43 N flip ATOM 0 H GLN A 37 -13.730 -18.255 -8.475 1.00 0.71 H new ATOM 0 HA GLN A 37 -14.943 -18.975 -11.056 1.00 0.58 H new ATOM 0 HB2 GLN A 37 -12.208 -19.222 -10.850 1.00 0.34 H new ATOM 0 HB3 GLN A 37 -12.672 -20.715 -10.059 1.00 0.34 H new ATOM 0 HG2 GLN A 37 -12.683 -21.494 -12.253 1.00 0.74 H new ATOM 0 HG3 GLN A 37 -14.330 -20.898 -12.199 1.00 0.74 H new ATOM 0 HE21 GLN A 37 -14.794 -19.421 -13.826 1.00 3.43 H new ATOM 0 HE22 GLN A 37 -13.579 -18.463 -14.680 1.00 3.43 H new ATOM 601 N GLU A 38 -15.656 -21.218 -10.039 1.00 0.62 N ATOM 602 CA GLU A 38 -16.433 -22.252 -9.313 1.00 0.78 C ATOM 603 C GLU A 38 -17.401 -21.628 -8.318 1.00 0.97 C ATOM 604 O GLU A 38 -18.031 -22.316 -7.541 1.00 1.23 O ATOM 605 CB GLU A 38 -15.453 -23.166 -8.574 1.00 1.29 C ATOM 606 CG GLU A 38 -15.230 -24.438 -9.398 1.00 1.49 C ATOM 607 CD GLU A 38 -14.343 -25.403 -8.610 1.00 3.30 C ATOM 608 OE1 GLU A 38 -14.245 -25.192 -7.413 1.00 4.18 O ATOM 609 OE2 GLU A 38 -13.817 -26.298 -9.249 1.00 4.58 O ATOM 0 H GLU A 38 -15.655 -21.313 -11.055 1.00 0.62 H new ATOM 0 HA GLU A 38 -17.021 -22.820 -10.034 1.00 0.78 H new ATOM 0 HB2 GLU A 38 -14.506 -22.651 -8.415 1.00 1.29 H new ATOM 0 HB3 GLU A 38 -15.846 -23.420 -7.590 1.00 1.29 H new ATOM 0 HG2 GLU A 38 -16.186 -24.909 -9.626 1.00 1.49 H new ATOM 0 HG3 GLU A 38 -14.761 -24.190 -10.350 1.00 1.49 H new ATOM 616 N GLY A 39 -17.497 -20.338 -8.371 1.00 1.05 N ATOM 617 CA GLY A 39 -18.420 -19.631 -7.444 1.00 1.51 C ATOM 618 C GLY A 39 -17.698 -19.137 -6.189 1.00 0.74 C ATOM 619 O GLY A 39 -18.246 -18.355 -5.436 1.00 1.41 O ATOM 0 H GLY A 39 -16.979 -19.739 -9.014 1.00 1.05 H new ATOM 0 HA2 GLY A 39 -18.874 -18.784 -7.959 1.00 1.51 H new ATOM 0 HA3 GLY A 39 -19.230 -20.301 -7.157 1.00 1.51 H new ATOM 623 N GLY A 40 -16.490 -19.586 -5.973 1.00 1.01 N ATOM 624 CA GLY A 40 -15.774 -19.116 -4.755 1.00 0.37 C ATOM 625 C GLY A 40 -14.286 -19.490 -4.766 1.00 0.36 C ATOM 626 O GLY A 40 -13.758 -19.916 -3.758 1.00 0.62 O ATOM 0 H GLY A 40 -15.981 -20.239 -6.569 1.00 1.01 H new ATOM 0 HA2 GLY A 40 -15.872 -18.033 -4.675 1.00 0.37 H new ATOM 0 HA3 GLY A 40 -16.247 -19.545 -3.872 1.00 0.37 H new ATOM 630 N TRP A 41 -13.637 -19.335 -5.891 1.00 0.34 N ATOM 631 CA TRP A 41 -12.187 -19.679 -5.952 1.00 0.26 C ATOM 632 C TRP A 41 -11.549 -18.656 -6.858 1.00 0.31 C ATOM 633 O TRP A 41 -12.083 -18.349 -7.895 1.00 0.46 O ATOM 634 CB TRP A 41 -12.015 -21.125 -6.416 1.00 0.37 C ATOM 635 CG TRP A 41 -12.497 -21.945 -5.222 1.00 0.44 C ATOM 636 CD1 TRP A 41 -13.784 -22.262 -5.025 1.00 0.47 C ATOM 637 CD2 TRP A 41 -11.812 -22.107 -4.079 1.00 0.50 C ATOM 638 NE1 TRP A 41 -13.837 -22.590 -3.734 1.00 0.59 N ATOM 639 CE2 TRP A 41 -12.661 -22.511 -3.068 1.00 0.59 C ATOM 640 CE3 TRP A 41 -10.473 -21.893 -3.802 1.00 0.51 C ATOM 641 CZ2 TRP A 41 -12.186 -22.669 -1.779 1.00 0.67 C ATOM 642 CZ3 TRP A 41 -9.992 -22.065 -2.512 1.00 0.55 C ATOM 643 CH2 TRP A 41 -10.856 -22.449 -1.495 1.00 0.62 C ATOM 0 H TRP A 41 -14.043 -18.989 -6.760 1.00 0.34 H new ATOM 0 HA TRP A 41 -11.696 -19.637 -4.980 1.00 0.26 H new ATOM 0 HB2 TRP A 41 -12.605 -21.332 -7.309 1.00 0.37 H new ATOM 0 HB3 TRP A 41 -10.976 -21.346 -6.661 1.00 0.37 H new ATOM 0 HD1 TRP A 41 -14.590 -22.254 -5.744 1.00 0.47 H new ATOM 0 HE1 TRP A 41 -14.703 -22.880 -3.280 1.00 0.59 H new ATOM 0 HE3 TRP A 41 -9.801 -21.591 -4.592 1.00 0.51 H new ATOM 0 HZ2 TRP A 41 -12.861 -22.967 -0.991 1.00 0.67 H new ATOM 0 HZ3 TRP A 41 -8.946 -21.900 -2.299 1.00 0.55 H new ATOM 0 HH2 TRP A 41 -10.488 -22.574 -0.488 1.00 0.62 H new ATOM 654 N TRP A 42 -10.415 -18.152 -6.466 1.00 0.37 N ATOM 655 CA TRP A 42 -9.757 -17.128 -7.297 1.00 0.39 C ATOM 656 C TRP A 42 -8.446 -17.513 -7.966 1.00 0.40 C ATOM 657 O TRP A 42 -7.626 -18.145 -7.363 1.00 0.71 O ATOM 658 CB TRP A 42 -9.369 -16.060 -6.299 1.00 0.41 C ATOM 659 CG TRP A 42 -10.600 -15.511 -5.582 1.00 0.46 C ATOM 660 CD1 TRP A 42 -11.643 -16.254 -5.169 1.00 0.44 C ATOM 661 CD2 TRP A 42 -10.879 -14.234 -5.465 1.00 0.51 C ATOM 662 NE1 TRP A 42 -12.550 -15.337 -4.873 1.00 0.46 N ATOM 663 CE2 TRP A 42 -12.158 -14.062 -5.011 1.00 0.51 C ATOM 664 CE3 TRP A 42 -10.066 -13.155 -5.671 1.00 0.55 C ATOM 665 CZ2 TRP A 42 -12.644 -12.803 -4.774 1.00 0.55 C ATOM 666 CZ3 TRP A 42 -10.549 -11.895 -5.440 1.00 0.59 C ATOM 667 CH2 TRP A 42 -11.837 -11.715 -4.989 1.00 0.59 C ATOM 0 H TRP A 42 -9.923 -18.407 -5.610 1.00 0.37 H new ATOM 0 HA TRP A 42 -10.448 -16.880 -8.103 1.00 0.39 H new ATOM 0 HB2 TRP A 42 -8.673 -16.474 -5.570 1.00 0.41 H new ATOM 0 HB3 TRP A 42 -8.850 -15.250 -6.811 1.00 0.41 H new ATOM 0 HD1 TRP A 42 -11.720 -17.329 -5.097 1.00 0.44 H new ATOM 0 HE1 TRP A 42 -13.489 -15.584 -4.559 1.00 0.46 H new ATOM 0 HE3 TRP A 42 -9.051 -13.295 -6.013 1.00 0.55 H new ATOM 0 HZ2 TRP A 42 -13.656 -12.668 -4.420 1.00 0.55 H new ATOM 0 HZ3 TRP A 42 -9.916 -11.037 -5.613 1.00 0.59 H new ATOM 0 HH2 TRP A 42 -12.211 -10.719 -4.805 1.00 0.59 H new ATOM 678 N ARG A 43 -8.248 -17.037 -9.177 1.00 0.29 N ATOM 679 CA ARG A 43 -6.981 -17.356 -9.903 1.00 0.28 C ATOM 680 C ARG A 43 -6.121 -16.094 -9.965 1.00 0.24 C ATOM 681 O ARG A 43 -6.550 -15.053 -9.538 1.00 0.23 O ATOM 682 CB ARG A 43 -7.273 -17.702 -11.364 1.00 0.29 C ATOM 683 CG ARG A 43 -7.718 -19.162 -11.518 1.00 0.68 C ATOM 684 CD ARG A 43 -7.484 -19.649 -12.966 1.00 0.22 C ATOM 685 NE ARG A 43 -8.802 -19.932 -13.601 1.00 2.02 N ATOM 686 CZ ARG A 43 -9.082 -21.128 -14.076 1.00 1.67 C ATOM 687 NH1 ARG A 43 -8.448 -22.176 -13.619 1.00 1.90 N ATOM 688 NH2 ARG A 43 -10.010 -21.236 -14.991 1.00 1.57 N ATOM 0 H ARG A 43 -8.905 -16.447 -9.687 1.00 0.29 H new ATOM 0 HA ARG A 43 -6.497 -18.183 -9.384 1.00 0.28 H new ATOM 0 HB2 ARG A 43 -8.051 -17.041 -11.747 1.00 0.29 H new ATOM 0 HB3 ARG A 43 -6.381 -17.527 -11.966 1.00 0.29 H new ATOM 0 HG2 ARG A 43 -7.165 -19.792 -10.822 1.00 0.68 H new ATOM 0 HG3 ARG A 43 -8.774 -19.256 -11.263 1.00 0.68 H new ATOM 0 HD2 ARG A 43 -6.946 -18.891 -13.536 1.00 0.22 H new ATOM 0 HD3 ARG A 43 -6.865 -20.546 -12.966 1.00 0.22 H new ATOM 0 HE ARG A 43 -9.497 -19.189 -13.669 1.00 2.02 H new ATOM 0 HH11 ARG A 43 -7.737 -22.067 -12.895 1.00 1.90 H new ATOM 0 HH12 ARG A 43 -8.664 -23.103 -13.986 1.00 1.90 H new ATOM 0 HH21 ARG A 43 -10.499 -20.404 -15.322 1.00 1.57 H new ATOM 0 HH22 ARG A 43 -10.244 -22.152 -15.374 1.00 1.57 H new ATOM 702 N GLY A 44 -4.927 -16.195 -10.511 1.00 0.22 N ATOM 703 CA GLY A 44 -4.044 -14.993 -10.600 1.00 0.18 C ATOM 704 C GLY A 44 -2.608 -15.346 -10.188 1.00 0.22 C ATOM 705 O GLY A 44 -2.368 -16.214 -9.370 1.00 0.33 O ATOM 0 H GLY A 44 -4.533 -17.054 -10.895 1.00 0.22 H new ATOM 0 HA2 GLY A 44 -4.051 -14.605 -11.618 1.00 0.18 H new ATOM 0 HA3 GLY A 44 -4.429 -14.203 -9.955 1.00 0.18 H new ATOM 709 N ASP A 45 -1.697 -14.659 -10.793 1.00 0.18 N ATOM 710 CA ASP A 45 -0.245 -14.877 -10.515 1.00 0.27 C ATOM 711 C ASP A 45 0.178 -14.434 -9.115 1.00 0.26 C ATOM 712 O ASP A 45 -0.341 -13.482 -8.575 1.00 0.38 O ATOM 713 CB ASP A 45 0.536 -14.019 -11.513 1.00 0.33 C ATOM 714 CG ASP A 45 0.810 -12.647 -10.894 1.00 0.54 C ATOM 715 OD1 ASP A 45 -0.167 -12.004 -10.552 1.00 0.65 O ATOM 716 OD2 ASP A 45 1.982 -12.321 -10.800 1.00 1.09 O ATOM 0 H ASP A 45 -1.892 -13.937 -11.486 1.00 0.18 H new ATOM 0 HA ASP A 45 -0.047 -15.946 -10.599 1.00 0.27 H new ATOM 0 HB2 ASP A 45 1.475 -14.507 -11.773 1.00 0.33 H new ATOM 0 HB3 ASP A 45 -0.032 -13.907 -12.437 1.00 0.33 H new ATOM 721 N TYR A 46 1.132 -15.137 -8.560 1.00 0.15 N ATOM 722 CA TYR A 46 1.611 -14.772 -7.199 1.00 0.14 C ATOM 723 C TYR A 46 3.000 -15.346 -6.937 1.00 0.14 C ATOM 724 O TYR A 46 3.649 -14.981 -5.976 1.00 1.03 O ATOM 725 CB TYR A 46 0.649 -15.318 -6.133 1.00 0.15 C ATOM 726 CG TYR A 46 1.032 -14.668 -4.802 1.00 0.17 C ATOM 727 CD1 TYR A 46 1.067 -13.286 -4.700 1.00 0.18 C ATOM 728 CD2 TYR A 46 1.540 -15.425 -3.750 1.00 0.20 C ATOM 729 CE1 TYR A 46 1.617 -12.681 -3.616 1.00 0.25 C ATOM 730 CE2 TYR A 46 2.091 -14.799 -2.660 1.00 0.26 C ATOM 731 CZ TYR A 46 2.134 -13.423 -2.580 1.00 0.29 C ATOM 732 OH TYR A 46 2.692 -12.802 -1.484 1.00 0.37 O ATOM 0 H TYR A 46 1.594 -15.940 -8.987 1.00 0.15 H new ATOM 0 HA TYR A 46 1.653 -13.684 -7.145 1.00 0.14 H new ATOM 0 HB2 TYR A 46 -0.384 -15.085 -6.392 1.00 0.15 H new ATOM 0 HB3 TYR A 46 0.724 -16.403 -6.067 1.00 0.15 H new ATOM 0 HD1 TYR A 46 0.651 -12.682 -5.493 1.00 0.18 H new ATOM 0 HD2 TYR A 46 1.501 -16.503 -3.792 1.00 0.20 H new ATOM 0 HE1 TYR A 46 1.649 -11.603 -3.567 1.00 0.25 H new ATOM 0 HE2 TYR A 46 2.497 -15.392 -1.854 1.00 0.26 H new ATOM 0 HH TYR A 46 3.006 -13.479 -0.849 1.00 0.37 H new ATOM 742 N GLY A 47 3.438 -16.229 -7.795 1.00 1.07 N ATOM 743 CA GLY A 47 4.789 -16.822 -7.591 1.00 1.10 C ATOM 744 C GLY A 47 5.004 -18.045 -8.488 1.00 1.86 C ATOM 745 O GLY A 47 5.435 -17.915 -9.618 1.00 2.09 O ATOM 0 H GLY A 47 2.928 -16.560 -8.614 1.00 1.07 H new ATOM 0 HA2 GLY A 47 5.552 -16.074 -7.804 1.00 1.10 H new ATOM 0 HA3 GLY A 47 4.908 -17.110 -6.546 1.00 1.10 H new ATOM 749 N GLY A 48 4.706 -19.202 -7.958 1.00 2.65 N ATOM 750 CA GLY A 48 4.879 -20.462 -8.745 1.00 3.49 C ATOM 751 C GLY A 48 4.538 -20.263 -10.225 1.00 2.12 C ATOM 752 O GLY A 48 5.412 -20.319 -11.066 1.00 1.69 O ATOM 0 H GLY A 48 4.349 -19.331 -7.011 1.00 2.65 H new ATOM 0 HA2 GLY A 48 5.908 -20.809 -8.653 1.00 3.49 H new ATOM 0 HA3 GLY A 48 4.242 -21.241 -8.327 1.00 3.49 H new ATOM 756 N LYS A 49 3.278 -20.034 -10.510 1.00 1.86 N ATOM 757 CA LYS A 49 2.866 -19.832 -11.931 1.00 1.30 C ATOM 758 C LYS A 49 2.063 -18.540 -12.096 1.00 0.83 C ATOM 759 O LYS A 49 2.209 -17.626 -11.307 1.00 0.89 O ATOM 760 CB LYS A 49 2.047 -21.048 -12.385 1.00 2.76 C ATOM 761 CG LYS A 49 2.986 -22.260 -12.451 1.00 3.05 C ATOM 762 CD LYS A 49 2.197 -23.502 -12.885 1.00 2.63 C ATOM 763 CE LYS A 49 1.857 -23.419 -14.379 1.00 4.25 C ATOM 764 NZ LYS A 49 0.382 -23.370 -14.568 1.00 5.50 N ATOM 0 H LYS A 49 2.524 -19.979 -9.825 1.00 1.86 H new ATOM 0 HA LYS A 49 3.755 -19.737 -12.554 1.00 1.30 H new ATOM 0 HB2 LYS A 49 1.230 -21.237 -11.689 1.00 2.76 H new ATOM 0 HB3 LYS A 49 1.598 -20.861 -13.360 1.00 2.76 H new ATOM 0 HG2 LYS A 49 3.796 -22.067 -13.155 1.00 3.05 H new ATOM 0 HG3 LYS A 49 3.445 -22.431 -11.477 1.00 3.05 H new ATOM 0 HD2 LYS A 49 2.781 -24.401 -12.687 1.00 2.63 H new ATOM 0 HD3 LYS A 49 1.281 -23.582 -12.300 1.00 2.63 H new ATOM 0 HE2 LYS A 49 2.317 -22.532 -14.815 1.00 4.25 H new ATOM 0 HE3 LYS A 49 2.270 -24.282 -14.902 1.00 4.25 H new ATOM 0 HZ1 LYS A 49 0.164 -23.314 -15.583 1.00 5.50 H new ATOM 0 HZ2 LYS A 49 -0.048 -24.229 -14.168 1.00 5.50 H new ATOM 0 HZ3 LYS A 49 -0.002 -22.533 -14.085 1.00 5.50 H new ATOM 778 N LYS A 50 1.220 -18.489 -13.100 1.00 1.14 N ATOM 779 CA LYS A 50 0.415 -17.247 -13.317 1.00 1.00 C ATOM 780 C LYS A 50 -1.047 -17.336 -12.865 1.00 1.23 C ATOM 781 O LYS A 50 -1.769 -16.369 -12.999 1.00 3.10 O ATOM 782 CB LYS A 50 0.420 -16.955 -14.834 1.00 1.39 C ATOM 783 CG LYS A 50 0.713 -15.466 -15.122 1.00 1.18 C ATOM 784 CD LYS A 50 1.527 -15.354 -16.420 1.00 1.71 C ATOM 785 CE LYS A 50 3.019 -15.622 -16.146 1.00 2.68 C ATOM 786 NZ LYS A 50 3.496 -14.859 -14.958 1.00 2.82 N ATOM 0 H LYS A 50 1.056 -19.242 -13.769 1.00 1.14 H new ATOM 0 HA LYS A 50 0.875 -16.466 -12.712 1.00 1.00 H new ATOM 0 HB2 LYS A 50 1.171 -17.576 -15.323 1.00 1.39 H new ATOM 0 HB3 LYS A 50 -0.545 -17.226 -15.261 1.00 1.39 H new ATOM 0 HG2 LYS A 50 -0.220 -14.911 -15.215 1.00 1.18 H new ATOM 0 HG3 LYS A 50 1.266 -15.025 -14.293 1.00 1.18 H new ATOM 0 HD2 LYS A 50 1.152 -16.067 -17.154 1.00 1.71 H new ATOM 0 HD3 LYS A 50 1.403 -14.360 -16.849 1.00 1.71 H new ATOM 0 HE2 LYS A 50 3.175 -16.688 -15.983 1.00 2.68 H new ATOM 0 HE3 LYS A 50 3.607 -15.344 -17.020 1.00 2.68 H new ATOM 0 HZ1 LYS A 50 4.500 -14.618 -15.080 1.00 2.82 H new ATOM 0 HZ2 LYS A 50 2.940 -13.986 -14.860 1.00 2.82 H new ATOM 0 HZ3 LYS A 50 3.381 -15.440 -14.103 1.00 2.82 H new ATOM 800 N GLN A 51 -1.484 -18.444 -12.343 1.00 0.62 N ATOM 801 CA GLN A 51 -2.915 -18.475 -11.923 1.00 0.24 C ATOM 802 C GLN A 51 -3.279 -19.686 -11.080 1.00 0.19 C ATOM 803 O GLN A 51 -3.958 -20.584 -11.536 1.00 0.62 O ATOM 804 CB GLN A 51 -3.836 -18.458 -13.167 1.00 0.40 C ATOM 805 CG GLN A 51 -3.241 -19.283 -14.326 1.00 2.30 C ATOM 806 CD GLN A 51 -3.461 -18.536 -15.645 1.00 2.46 C ATOM 807 OE1 GLN A 51 -3.915 -19.100 -16.621 1.00 2.64 O ATOM 808 NE2 GLN A 51 -3.154 -17.270 -15.718 1.00 2.91 N ATOM 0 H GLN A 51 -0.944 -19.296 -12.192 1.00 0.62 H new ATOM 0 HA GLN A 51 -3.060 -17.587 -11.307 1.00 0.24 H new ATOM 0 HB2 GLN A 51 -4.815 -18.857 -12.901 1.00 0.40 H new ATOM 0 HB3 GLN A 51 -3.989 -17.429 -13.493 1.00 0.40 H new ATOM 0 HG2 GLN A 51 -2.176 -19.447 -14.161 1.00 2.30 H new ATOM 0 HG3 GLN A 51 -3.712 -20.265 -14.368 1.00 2.30 H new ATOM 0 HE21 GLN A 51 -2.773 -16.790 -14.903 1.00 2.91 H new ATOM 0 HE22 GLN A 51 -3.296 -16.760 -16.590 1.00 2.91 H new ATOM 817 N LEU A 52 -2.828 -19.687 -9.863 1.00 0.24 N ATOM 818 CA LEU A 52 -3.147 -20.825 -8.987 1.00 0.29 C ATOM 819 C LEU A 52 -4.541 -20.621 -8.396 1.00 0.27 C ATOM 820 O LEU A 52 -5.461 -20.328 -9.135 1.00 0.42 O ATOM 821 CB LEU A 52 -2.065 -20.893 -7.901 1.00 0.38 C ATOM 822 CG LEU A 52 -0.852 -21.589 -8.518 1.00 0.50 C ATOM 823 CD1 LEU A 52 -0.047 -20.587 -9.357 1.00 1.97 C ATOM 824 CD2 LEU A 52 -0.031 -22.223 -7.398 1.00 2.81 C ATOM 0 H LEU A 52 -2.257 -18.953 -9.444 1.00 0.24 H new ATOM 0 HA LEU A 52 -3.157 -21.768 -9.533 1.00 0.29 H new ATOM 0 HB2 LEU A 52 -1.801 -19.893 -7.557 1.00 0.38 H new ATOM 0 HB3 LEU A 52 -2.425 -21.445 -7.033 1.00 0.38 H new ATOM 0 HG LEU A 52 -1.161 -22.385 -9.196 1.00 0.50 H new ATOM 0 HD11 LEU A 52 0.816 -21.089 -9.794 1.00 1.97 H new ATOM 0 HD12 LEU A 52 -0.677 -20.190 -10.153 1.00 1.97 H new ATOM 0 HD13 LEU A 52 0.292 -19.770 -8.721 1.00 1.97 H new ATOM 0 HD21 LEU A 52 0.839 -22.724 -7.823 1.00 2.81 H new ATOM 0 HD22 LEU A 52 0.299 -21.449 -6.705 1.00 2.81 H new ATOM 0 HD23 LEU A 52 -0.644 -22.950 -6.865 1.00 2.81 H new ATOM 836 N TRP A 53 -4.700 -20.773 -7.104 1.00 0.15 N ATOM 837 CA TRP A 53 -6.062 -20.573 -6.540 1.00 0.14 C ATOM 838 C TRP A 53 -6.081 -19.938 -5.162 1.00 0.17 C ATOM 839 O TRP A 53 -5.226 -20.201 -4.343 1.00 0.18 O ATOM 840 CB TRP A 53 -6.713 -21.934 -6.373 1.00 0.22 C ATOM 841 CG TRP A 53 -7.153 -22.435 -7.724 1.00 0.26 C ATOM 842 CD1 TRP A 53 -6.569 -23.453 -8.337 1.00 0.45 C ATOM 843 CD2 TRP A 53 -8.144 -21.939 -8.460 1.00 0.24 C ATOM 844 NE1 TRP A 53 -7.254 -23.563 -9.477 1.00 0.59 N ATOM 845 CE2 TRP A 53 -8.252 -22.656 -9.638 1.00 0.46 C ATOM 846 CE3 TRP A 53 -8.977 -20.852 -8.237 1.00 0.13 C ATOM 847 CZ2 TRP A 53 -9.190 -22.291 -10.579 1.00 0.54 C ATOM 848 CZ3 TRP A 53 -9.909 -20.489 -9.191 1.00 0.10 C ATOM 849 CH2 TRP A 53 -10.006 -21.217 -10.361 1.00 0.36 C ATOM 0 H TRP A 53 -3.969 -21.019 -6.437 1.00 0.15 H new ATOM 0 HA TRP A 53 -6.577 -19.908 -7.234 1.00 0.14 H new ATOM 0 HB2 TRP A 53 -6.011 -22.635 -5.922 1.00 0.22 H new ATOM 0 HB3 TRP A 53 -7.568 -21.863 -5.701 1.00 0.22 H new ATOM 0 HD1 TRP A 53 -5.737 -24.051 -7.996 1.00 0.45 H new ATOM 0 HE1 TRP A 53 -7.044 -24.276 -10.176 1.00 0.59 H new ATOM 0 HE3 TRP A 53 -8.897 -20.290 -7.318 1.00 0.13 H new ATOM 0 HZ2 TRP A 53 -9.281 -22.857 -11.494 1.00 0.54 H new ATOM 0 HZ3 TRP A 53 -10.557 -19.642 -9.023 1.00 0.10 H new ATOM 0 HH2 TRP A 53 -10.732 -20.935 -11.109 1.00 0.36 H new ATOM 860 N PHE A 54 -7.034 -19.067 -4.951 1.00 0.24 N ATOM 861 CA PHE A 54 -7.138 -18.409 -3.624 1.00 0.31 C ATOM 862 C PHE A 54 -8.625 -18.417 -3.213 1.00 0.22 C ATOM 863 O PHE A 54 -9.453 -17.863 -3.901 1.00 0.23 O ATOM 864 CB PHE A 54 -6.648 -16.943 -3.634 1.00 0.34 C ATOM 865 CG PHE A 54 -5.966 -16.585 -4.927 1.00 0.28 C ATOM 866 CD1 PHE A 54 -4.901 -17.319 -5.384 1.00 0.18 C ATOM 867 CD2 PHE A 54 -6.438 -15.529 -5.672 1.00 0.35 C ATOM 868 CE1 PHE A 54 -4.327 -17.017 -6.582 1.00 0.18 C ATOM 869 CE2 PHE A 54 -5.880 -15.224 -6.854 1.00 0.33 C ATOM 870 CZ PHE A 54 -4.808 -15.973 -7.323 1.00 0.27 C ATOM 0 H PHE A 54 -7.736 -18.788 -5.636 1.00 0.24 H new ATOM 0 HA PHE A 54 -6.504 -18.958 -2.928 1.00 0.31 H new ATOM 0 HB2 PHE A 54 -7.496 -16.276 -3.475 1.00 0.34 H new ATOM 0 HB3 PHE A 54 -5.958 -16.786 -2.805 1.00 0.34 H new ATOM 0 HD1 PHE A 54 -4.517 -18.137 -4.793 1.00 0.18 H new ATOM 0 HD2 PHE A 54 -7.265 -14.940 -5.303 1.00 0.35 H new ATOM 0 HE1 PHE A 54 -3.494 -17.601 -6.946 1.00 0.18 H new ATOM 0 HE2 PHE A 54 -6.263 -14.400 -7.438 1.00 0.33 H new ATOM 0 HZ PHE A 54 -4.354 -15.731 -8.273 1.00 0.27 H new ATOM 880 N PRO A 55 -8.956 -19.043 -2.109 1.00 0.20 N ATOM 881 CA PRO A 55 -10.358 -19.101 -1.645 1.00 0.22 C ATOM 882 C PRO A 55 -11.061 -17.755 -1.567 1.00 0.22 C ATOM 883 O PRO A 55 -10.451 -16.723 -1.374 1.00 0.28 O ATOM 884 CB PRO A 55 -10.255 -19.627 -0.225 1.00 0.34 C ATOM 885 CG PRO A 55 -8.819 -20.210 -0.049 1.00 0.35 C ATOM 886 CD PRO A 55 -7.988 -19.690 -1.196 1.00 0.25 C ATOM 0 HA PRO A 55 -10.936 -19.703 -2.346 1.00 0.22 H new ATOM 0 HB2 PRO A 55 -10.436 -18.829 0.495 1.00 0.34 H new ATOM 0 HB3 PRO A 55 -11.007 -20.396 -0.045 1.00 0.34 H new ATOM 0 HG2 PRO A 55 -8.393 -19.903 0.906 1.00 0.35 H new ATOM 0 HG3 PRO A 55 -8.842 -21.300 -0.053 1.00 0.35 H new ATOM 0 HD2 PRO A 55 -7.237 -18.980 -0.849 1.00 0.25 H new ATOM 0 HD3 PRO A 55 -7.455 -20.499 -1.695 1.00 0.25 H new ATOM 894 N SER A 56 -12.351 -17.822 -1.735 1.00 0.26 N ATOM 895 CA SER A 56 -13.179 -16.605 -1.676 1.00 0.34 C ATOM 896 C SER A 56 -13.592 -16.543 -0.224 1.00 0.52 C ATOM 897 O SER A 56 -14.416 -15.756 0.200 1.00 0.65 O ATOM 898 CB SER A 56 -14.423 -16.786 -2.552 1.00 0.32 C ATOM 899 OG SER A 56 -13.895 -17.084 -3.832 1.00 2.38 O ATOM 0 H SER A 56 -12.866 -18.684 -1.913 1.00 0.26 H new ATOM 0 HA SER A 56 -12.661 -15.711 -2.022 1.00 0.34 H new ATOM 0 HB2 SER A 56 -15.058 -17.592 -2.184 1.00 0.32 H new ATOM 0 HB3 SER A 56 -15.033 -15.883 -2.571 1.00 0.32 H new ATOM 0 HG SER A 56 -12.966 -16.777 -3.882 1.00 2.38 H new ATOM 905 N ASN A 57 -12.959 -17.435 0.494 1.00 0.54 N ATOM 906 CA ASN A 57 -13.178 -17.584 1.929 1.00 0.72 C ATOM 907 C ASN A 57 -11.949 -17.023 2.608 1.00 0.67 C ATOM 908 O ASN A 57 -11.930 -16.786 3.800 1.00 0.71 O ATOM 909 CB ASN A 57 -13.287 -19.095 2.231 1.00 0.78 C ATOM 910 CG ASN A 57 -14.749 -19.449 2.509 1.00 1.02 C ATOM 911 OD1 ASN A 57 -15.068 -20.090 3.492 1.00 2.49 O ATOM 912 ND2 ASN A 57 -15.667 -19.054 1.673 1.00 2.38 N ATOM 0 H ASN A 57 -12.274 -18.085 0.109 1.00 0.54 H new ATOM 0 HA ASN A 57 -14.079 -17.074 2.271 1.00 0.72 H new ATOM 0 HB2 ASN A 57 -12.914 -19.675 1.386 1.00 0.78 H new ATOM 0 HB3 ASN A 57 -12.669 -19.352 3.091 1.00 0.78 H new ATOM 0 HD21 ASN A 57 -16.646 -19.283 1.845 1.00 2.38 H new ATOM 0 HD22 ASN A 57 -15.407 -18.516 0.846 1.00 2.38 H new ATOM 919 N TYR A 58 -10.937 -16.825 1.789 1.00 0.60 N ATOM 920 CA TYR A 58 -9.664 -16.280 2.305 1.00 0.58 C ATOM 921 C TYR A 58 -9.395 -14.862 1.773 1.00 0.70 C ATOM 922 O TYR A 58 -9.024 -13.985 2.527 1.00 1.41 O ATOM 923 CB TYR A 58 -8.499 -17.192 1.866 1.00 0.29 C ATOM 924 CG TYR A 58 -8.307 -18.342 2.881 1.00 0.41 C ATOM 925 CD1 TYR A 58 -9.251 -19.373 3.032 1.00 0.58 C ATOM 926 CD2 TYR A 58 -7.181 -18.354 3.686 1.00 0.45 C ATOM 927 CE1 TYR A 58 -9.053 -20.361 3.977 1.00 0.81 C ATOM 928 CE2 TYR A 58 -7.002 -19.353 4.628 1.00 0.69 C ATOM 929 CZ TYR A 58 -7.931 -20.357 4.776 1.00 0.88 C ATOM 930 OH TYR A 58 -7.739 -21.352 5.717 1.00 1.13 O ATOM 0 H TYR A 58 -10.951 -17.022 0.788 1.00 0.60 H new ATOM 0 HA TYR A 58 -9.740 -16.238 3.392 1.00 0.58 H new ATOM 0 HB2 TYR A 58 -8.701 -17.601 0.876 1.00 0.29 H new ATOM 0 HB3 TYR A 58 -7.581 -16.609 1.788 1.00 0.29 H new ATOM 0 HD1 TYR A 58 -10.132 -19.393 2.408 1.00 0.58 H new ATOM 0 HD2 TYR A 58 -6.437 -17.579 3.579 1.00 0.45 H new ATOM 0 HE1 TYR A 58 -9.786 -21.146 4.091 1.00 0.81 H new ATOM 0 HE2 TYR A 58 -6.122 -19.344 5.254 1.00 0.69 H new ATOM 0 HH TYR A 58 -6.896 -21.195 6.191 1.00 1.13 H new ATOM 940 N VAL A 59 -9.592 -14.659 0.489 1.00 0.63 N ATOM 941 CA VAL A 59 -9.345 -13.300 -0.082 1.00 0.56 C ATOM 942 C VAL A 59 -10.601 -12.440 -0.143 1.00 0.75 C ATOM 943 O VAL A 59 -11.702 -12.890 0.110 1.00 0.91 O ATOM 944 CB VAL A 59 -8.808 -13.451 -1.519 1.00 0.41 C ATOM 945 CG1 VAL A 59 -7.651 -14.441 -1.510 1.00 0.39 C ATOM 946 CG2 VAL A 59 -9.922 -13.949 -2.469 1.00 0.39 C ATOM 0 H VAL A 59 -9.908 -15.365 -0.176 1.00 0.63 H new ATOM 0 HA VAL A 59 -8.630 -12.806 0.576 1.00 0.56 H new ATOM 0 HB VAL A 59 -8.465 -12.481 -1.878 1.00 0.41 H new ATOM 0 HG11 VAL A 59 -7.263 -14.556 -2.522 1.00 0.39 H new ATOM 0 HG12 VAL A 59 -6.860 -14.070 -0.858 1.00 0.39 H new ATOM 0 HG13 VAL A 59 -8.001 -15.406 -1.144 1.00 0.39 H new ATOM 0 HG21 VAL A 59 -9.522 -14.049 -3.478 1.00 0.39 H new ATOM 0 HG22 VAL A 59 -10.287 -14.917 -2.126 1.00 0.39 H new ATOM 0 HG23 VAL A 59 -10.743 -13.233 -2.474 1.00 0.39 H new ATOM 956 N GLU A 60 -10.381 -11.206 -0.496 1.00 0.85 N ATOM 957 CA GLU A 60 -11.494 -10.236 -0.606 1.00 1.02 C ATOM 958 C GLU A 60 -10.984 -8.971 -1.259 1.00 1.14 C ATOM 959 O GLU A 60 -9.958 -8.449 -0.871 1.00 1.32 O ATOM 960 CB GLU A 60 -11.978 -9.872 0.795 1.00 1.26 C ATOM 961 CG GLU A 60 -13.475 -10.155 0.906 1.00 1.29 C ATOM 962 CD GLU A 60 -13.972 -9.747 2.295 1.00 1.38 C ATOM 963 OE1 GLU A 60 -13.190 -9.114 2.987 1.00 1.76 O ATOM 964 OE2 GLU A 60 -15.105 -10.090 2.587 1.00 1.37 O ATOM 0 H GLU A 60 -9.460 -10.826 -0.716 1.00 0.85 H new ATOM 0 HA GLU A 60 -12.301 -10.675 -1.192 1.00 1.02 H new ATOM 0 HB2 GLU A 60 -11.432 -10.449 1.541 1.00 1.26 H new ATOM 0 HB3 GLU A 60 -11.780 -8.819 0.998 1.00 1.26 H new ATOM 0 HG2 GLU A 60 -14.018 -9.604 0.138 1.00 1.29 H new ATOM 0 HG3 GLU A 60 -13.669 -11.214 0.736 1.00 1.29 H new ATOM 971 N GLU A 61 -11.692 -8.504 -2.244 1.00 1.09 N ATOM 972 CA GLU A 61 -11.243 -7.267 -2.920 1.00 1.29 C ATOM 973 C GLU A 61 -10.802 -6.253 -1.904 1.00 1.62 C ATOM 974 O GLU A 61 -11.104 -6.366 -0.737 1.00 3.18 O ATOM 975 CB GLU A 61 -12.421 -6.642 -3.662 1.00 1.55 C ATOM 976 CG GLU A 61 -12.948 -7.615 -4.705 1.00 1.39 C ATOM 977 CD GLU A 61 -12.143 -7.468 -5.998 1.00 1.40 C ATOM 978 OE1 GLU A 61 -12.063 -6.341 -6.459 1.00 1.62 O ATOM 979 OE2 GLU A 61 -11.657 -8.491 -6.453 1.00 1.57 O ATOM 0 H GLU A 61 -12.550 -8.920 -2.605 1.00 1.09 H new ATOM 0 HA GLU A 61 -10.428 -7.526 -3.595 1.00 1.29 H new ATOM 0 HB2 GLU A 61 -13.212 -6.386 -2.957 1.00 1.55 H new ATOM 0 HB3 GLU A 61 -12.109 -5.714 -4.142 1.00 1.55 H new ATOM 0 HG2 GLU A 61 -12.875 -8.637 -4.333 1.00 1.39 H new ATOM 0 HG3 GLU A 61 -14.003 -7.421 -4.898 1.00 1.39 H new ATOM 986 N MET A 62 -10.066 -5.308 -2.373 1.00 0.96 N ATOM 987 CA MET A 62 -9.581 -4.254 -1.468 1.00 0.98 C ATOM 988 C MET A 62 -10.766 -3.411 -0.997 1.00 0.97 C ATOM 989 O MET A 62 -10.911 -2.268 -1.382 1.00 1.07 O ATOM 990 CB MET A 62 -8.607 -3.367 -2.255 1.00 0.98 C ATOM 991 CG MET A 62 -7.250 -4.062 -2.326 1.00 0.87 C ATOM 992 SD MET A 62 -6.103 -3.520 -3.615 1.00 0.85 S ATOM 993 CE MET A 62 -4.749 -3.043 -2.516 1.00 1.54 C ATOM 0 H MET A 62 -9.777 -5.218 -3.347 1.00 0.96 H new ATOM 0 HA MET A 62 -9.084 -4.691 -0.602 1.00 0.98 H new ATOM 0 HB2 MET A 62 -8.990 -3.186 -3.259 1.00 0.98 H new ATOM 0 HB3 MET A 62 -8.508 -2.395 -1.771 1.00 0.98 H new ATOM 0 HG2 MET A 62 -6.757 -3.937 -1.362 1.00 0.87 H new ATOM 0 HG3 MET A 62 -7.425 -5.130 -2.458 1.00 0.87 H new ATOM 0 HE1 MET A 62 -3.914 -2.670 -3.109 1.00 1.54 H new ATOM 0 HE2 MET A 62 -5.090 -2.262 -1.837 1.00 1.54 H new ATOM 0 HE3 MET A 62 -4.426 -3.910 -1.939 1.00 1.54 H new ATOM 1003 N VAL A 63 -11.609 -4.016 -0.195 1.00 1.43 N ATOM 1004 CA VAL A 63 -12.804 -3.305 0.337 1.00 1.55 C ATOM 1005 C VAL A 63 -13.539 -2.589 -0.779 1.00 3.16 C ATOM 1006 O VAL A 63 -13.137 -1.540 -1.238 1.00 3.36 O ATOM 1007 CB VAL A 63 -12.431 -2.270 1.407 1.00 1.78 C ATOM 1008 CG1 VAL A 63 -13.037 -2.698 2.747 1.00 0.66 C ATOM 1009 CG2 VAL A 63 -10.911 -2.134 1.573 1.00 3.18 C ATOM 0 H VAL A 63 -11.515 -4.983 0.114 1.00 1.43 H new ATOM 0 HA VAL A 63 -13.442 -4.066 0.787 1.00 1.55 H new ATOM 0 HB VAL A 63 -12.823 -1.304 1.088 1.00 1.78 H new ATOM 0 HG11 VAL A 63 -12.777 -1.968 3.514 1.00 0.66 H new ATOM 0 HG12 VAL A 63 -14.121 -2.756 2.654 1.00 0.66 H new ATOM 0 HG13 VAL A 63 -12.644 -3.675 3.028 1.00 0.66 H new ATOM 0 HG21 VAL A 63 -10.694 -1.391 2.340 1.00 3.18 H new ATOM 0 HG22 VAL A 63 -10.490 -3.095 1.869 1.00 3.18 H new ATOM 0 HG23 VAL A 63 -10.468 -1.820 0.628 1.00 3.18 H new ATOM 1019 N ASN A 64 -14.617 -3.176 -1.164 1.00 5.05 N ATOM 1020 CA ASN A 64 -15.438 -2.591 -2.250 1.00 6.81 C ATOM 1021 C ASN A 64 -16.424 -1.532 -1.705 1.00 7.38 C ATOM 1022 O ASN A 64 -16.984 -1.724 -0.642 1.00 9.09 O ATOM 1023 CB ASN A 64 -16.292 -3.712 -2.858 1.00 9.59 C ATOM 1024 CG ASN A 64 -15.414 -4.911 -3.223 1.00 9.90 C ATOM 1025 OD1 ASN A 64 -14.670 -4.882 -4.183 1.00 9.44 O ATOM 1026 ND2 ASN A 64 -15.487 -5.990 -2.491 1.00 11.21 N ATOM 0 H ASN A 64 -14.975 -4.047 -0.772 1.00 5.05 H new ATOM 0 HA ASN A 64 -14.766 -2.129 -2.973 1.00 6.81 H new ATOM 0 HB2 ASN A 64 -17.061 -4.018 -2.148 1.00 9.59 H new ATOM 0 HB3 ASN A 64 -16.806 -3.345 -3.746 1.00 9.59 H new ATOM 0 HD21 ASN A 64 -14.920 -6.805 -2.726 1.00 11.21 H new ATOM 0 HD22 ASN A 64 -16.111 -6.018 -1.684 1.00 11.21 H new ATOM 1033 N PRO A 65 -16.610 -0.421 -2.406 1.00 6.43 N ATOM 1034 CA PRO A 65 -17.545 0.629 -1.946 1.00 7.48 C ATOM 1035 C PRO A 65 -18.995 0.169 -2.158 1.00 10.23 C ATOM 1036 O PRO A 65 -19.858 0.928 -2.553 1.00 11.81 O ATOM 1037 CB PRO A 65 -17.248 1.834 -2.860 1.00 5.64 C ATOM 1038 CG PRO A 65 -16.380 1.316 -4.033 1.00 4.05 C ATOM 1039 CD PRO A 65 -15.863 -0.072 -3.636 1.00 4.91 C ATOM 0 HA PRO A 65 -17.424 0.860 -0.888 1.00 7.48 H new ATOM 0 HB2 PRO A 65 -18.174 2.273 -3.231 1.00 5.64 H new ATOM 0 HB3 PRO A 65 -16.724 2.615 -2.309 1.00 5.64 H new ATOM 0 HG2 PRO A 65 -16.966 1.260 -4.950 1.00 4.05 H new ATOM 0 HG3 PRO A 65 -15.550 1.995 -4.226 1.00 4.05 H new ATOM 0 HD2 PRO A 65 -16.042 -0.801 -4.427 1.00 4.91 H new ATOM 0 HD3 PRO A 65 -14.788 -0.056 -3.454 1.00 4.91 H new ATOM 1047 N GLU A 66 -19.227 -1.074 -1.874 1.00 11.18 N ATOM 1048 CA GLU A 66 -20.593 -1.641 -2.045 1.00 13.98 C ATOM 1049 C GLU A 66 -21.658 -0.991 -1.149 1.00 15.94 C ATOM 1050 O GLU A 66 -21.491 -0.884 0.048 1.00 16.03 O ATOM 1051 CB GLU A 66 -20.514 -3.130 -1.680 1.00 15.14 C ATOM 1052 CG GLU A 66 -21.051 -3.979 -2.835 1.00 16.57 C ATOM 1053 CD GLU A 66 -22.554 -3.736 -2.985 1.00 18.08 C ATOM 1054 OE1 GLU A 66 -23.216 -3.790 -1.961 1.00 17.87 O ATOM 1055 OE2 GLU A 66 -22.956 -3.512 -4.114 1.00 19.44 O ATOM 0 H GLU A 66 -18.527 -1.730 -1.528 1.00 11.18 H new ATOM 0 HA GLU A 66 -20.897 -1.458 -3.076 1.00 13.98 H new ATOM 0 HB2 GLU A 66 -19.482 -3.406 -1.464 1.00 15.14 H new ATOM 0 HB3 GLU A 66 -21.092 -3.323 -0.776 1.00 15.14 H new ATOM 0 HG2 GLU A 66 -20.535 -3.722 -3.760 1.00 16.57 H new ATOM 0 HG3 GLU A 66 -20.859 -5.035 -2.645 1.00 16.57 H new ATOM 1062 N GLY A 67 -22.737 -0.584 -1.780 1.00 17.68 N ATOM 1063 CA GLY A 67 -23.890 0.067 -1.066 1.00 19.96 C ATOM 1064 C GLY A 67 -23.493 1.067 0.030 1.00 20.87 C ATOM 1065 O GLY A 67 -22.814 0.739 0.980 1.00 20.67 O ATOM 0 H GLY A 67 -22.871 -0.678 -2.787 1.00 17.68 H new ATOM 0 HA2 GLY A 67 -24.508 0.583 -1.801 1.00 19.96 H new ATOM 0 HA3 GLY A 67 -24.508 -0.712 -0.620 1.00 19.96 H new ATOM 1069 N ILE A 68 -23.989 2.265 -0.122 1.00 22.20 N ATOM 1070 CA ILE A 68 -23.697 3.340 0.867 1.00 23.26 C ATOM 1071 C ILE A 68 -24.972 3.693 1.642 1.00 25.73 C ATOM 1072 O ILE A 68 -25.635 4.663 1.334 1.00 26.27 O ATOM 1073 CB ILE A 68 -23.245 4.580 0.095 1.00 23.15 C ATOM 1074 CG1 ILE A 68 -22.164 4.204 -0.916 1.00 21.02 C ATOM 1075 CG2 ILE A 68 -22.660 5.604 1.082 1.00 24.00 C ATOM 1076 CD1 ILE A 68 -21.750 5.462 -1.679 1.00 20.80 C ATOM 0 H ILE A 68 -24.590 2.547 -0.897 1.00 22.20 H new ATOM 0 HA ILE A 68 -22.929 3.005 1.563 1.00 23.26 H new ATOM 0 HB ILE A 68 -24.102 5.003 -0.429 1.00 23.15 H new ATOM 0 HG12 ILE A 68 -21.304 3.771 -0.406 1.00 21.02 H new ATOM 0 HG13 ILE A 68 -22.539 3.449 -1.607 1.00 21.02 H new ATOM 0 HG21 ILE A 68 -22.336 6.491 0.537 1.00 24.00 H new ATOM 0 HG22 ILE A 68 -23.421 5.884 1.810 1.00 24.00 H new ATOM 0 HG23 ILE A 68 -21.807 5.164 1.600 1.00 24.00 H new ATOM 0 HD11 ILE A 68 -20.978 5.209 -2.405 1.00 20.80 H new ATOM 0 HD12 ILE A 68 -22.615 5.874 -2.198 1.00 20.80 H new ATOM 0 HD13 ILE A 68 -21.361 6.201 -0.978 1.00 20.80 H new ATOM 1088 N HIS A 69 -25.282 2.902 2.634 1.00 27.41 N ATOM 1089 CA HIS A 69 -26.511 3.171 3.439 1.00 29.95 C ATOM 1090 C HIS A 69 -26.183 3.862 4.764 1.00 31.56 C ATOM 1091 O HIS A 69 -25.033 3.988 5.139 1.00 30.94 O ATOM 1092 CB HIS A 69 -27.174 1.823 3.743 1.00 31.09 C ATOM 1093 CG HIS A 69 -26.166 0.708 3.460 1.00 29.53 C ATOM 1094 ND1 HIS A 69 -25.668 0.245 2.255 1.00 28.58 N flip ATOM 1095 CD2 HIS A 69 -25.584 0.012 4.344 1.00 29.07 C flip ATOM 1096 CE1 HIS A 69 -24.782 -0.737 2.482 1.00 27.65 C flip ATOM 1097 NE2 HIS A 69 -24.782 -0.827 3.803 1.00 27.93 N flip ATOM 0 H HIS A 69 -24.742 2.086 2.921 1.00 27.41 H new ATOM 0 HA HIS A 69 -27.166 3.830 2.869 1.00 29.95 H new ATOM 0 HB2 HIS A 69 -27.496 1.786 4.784 1.00 31.09 H new ATOM 0 HB3 HIS A 69 -28.065 1.693 3.129 1.00 31.09 H new ATOM 0 HD2 HIS A 69 -25.742 0.112 5.408 1.00 29.07 H new ATOM 0 HE1 HIS A 69 -24.212 -1.310 1.766 1.00 27.65 H new ATOM 0 HE2 HIS A 69 -24.210 -1.488 4.329 1.00 27.93 H new ATOM 1105 N ARG A 70 -27.214 4.288 5.448 1.00 33.66 N ATOM 1106 CA ARG A 70 -27.008 4.972 6.751 1.00 35.40 C ATOM 1107 C ARG A 70 -28.117 4.605 7.738 1.00 37.80 C ATOM 1108 O ARG A 70 -27.906 4.591 8.934 1.00 37.92 O ATOM 1109 CB ARG A 70 -27.041 6.493 6.519 1.00 36.14 C ATOM 1110 CG ARG A 70 -28.284 6.858 5.694 1.00 37.92 C ATOM 1111 CD ARG A 70 -28.441 8.384 5.626 1.00 37.88 C ATOM 1112 NE ARG A 70 -29.888 8.726 5.768 1.00 40.22 N ATOM 1113 CZ ARG A 70 -30.242 9.977 5.896 1.00 40.80 C ATOM 1114 NH1 ARG A 70 -29.546 10.895 5.285 1.00 39.85 N ATOM 1115 NH2 ARG A 70 -31.288 10.266 6.620 1.00 42.43 N ATOM 0 H ARG A 70 -28.187 4.190 5.157 1.00 33.66 H new ATOM 0 HA ARG A 70 -26.049 4.660 7.165 1.00 35.40 H new ATOM 0 HB2 ARG A 70 -27.059 7.017 7.475 1.00 36.14 H new ATOM 0 HB3 ARG A 70 -26.139 6.812 5.997 1.00 36.14 H new ATOM 0 HG2 ARG A 70 -28.196 6.448 4.688 1.00 37.92 H new ATOM 0 HG3 ARG A 70 -29.172 6.413 6.143 1.00 37.92 H new ATOM 0 HD2 ARG A 70 -27.862 8.859 6.418 1.00 37.88 H new ATOM 0 HD3 ARG A 70 -28.055 8.761 4.679 1.00 37.88 H new ATOM 0 HE ARG A 70 -30.594 7.989 5.765 1.00 40.22 H new ATOM 0 HH11 ARG A 70 -28.740 10.631 4.718 1.00 39.85 H new ATOM 0 HH12 ARG A 70 -29.808 11.877 5.374 1.00 39.85 H new ATOM 0 HH21 ARG A 70 -31.815 9.521 7.075 1.00 42.43 H new ATOM 0 HH22 ARG A 70 -31.579 11.237 6.731 1.00 42.43 H new ATOM 1129 N ASP A 71 -29.279 4.310 7.215 1.00 39.76 N ATOM 1130 CA ASP A 71 -30.414 3.940 8.100 1.00 42.22 C ATOM 1131 C ASP A 71 -30.311 2.484 8.542 1.00 42.75 C ATOM 1132 O ASP A 71 -30.968 1.677 7.907 1.00 43.01 O ATOM 1133 CB ASP A 71 -31.718 4.130 7.311 1.00 44.24 C ATOM 1134 CG ASP A 71 -32.920 3.855 8.222 1.00 45.81 C ATOM 1135 OD1 ASP A 71 -33.267 2.690 8.324 1.00 46.72 O ATOM 1136 OD2 ASP A 71 -33.425 4.827 8.759 1.00 46.05 O ATOM 1137 OXT ASP A 71 -29.577 2.258 9.492 1.00 42.99 O ATOM 0 H ASP A 71 -29.487 4.310 6.216 1.00 39.76 H new ATOM 0 HA ASP A 71 -30.395 4.571 8.989 1.00 42.22 H new ATOM 0 HB2 ASP A 71 -31.772 5.146 6.919 1.00 44.24 H new ATOM 0 HB3 ASP A 71 -31.737 3.456 6.455 1.00 44.24 H new TER 1142 ASP A 71