USER MOD reduce.3.24.130724 H: found=0, std=0, add=879, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 874 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 87 ASN : amide:sc= -0.794 K(o=-0.79,f=-2.8!) USER MOD Set 1.2: A 90 GLN :FLIP amide:sc= 0 F(o=-2.3,f=-0.79) USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= -2.39 K(o=-2.4,f=-4) USER MOD Single : A 5 SER OG : rot 38:sc= 0.204 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -1 GLY N :NH3+ -120:sc= 0.0817 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -37:sc= 0.172 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -4.58! C(o=-4.6!,f=-7.2!) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= -0.583 K(o=-0.58,f=-2.2!) USER MOD Single : A 22 SER OG : rot 180:sc= -3.73! USER MOD Single : A 31 THR OG1 : rot 67:sc= 1.28 USER MOD Single : A 38 ASN : amide:sc= -1.4 K(o=-1.4,f=-5.1!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.105 USER MOD Single : A 47 HIS : no HD1:sc= -2.25 X(o=-2.2,f=-2.1) USER MOD Single : A 48 SER OG : rot 180:sc= -0.121 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -2.99 K(o=-3,f=-7.9!) USER MOD Single : A 54 THR OG1 : rot -65:sc= 0.0052 USER MOD Single : A 55 ASN : amide:sc= -0.549 K(o=-0.55,f=-3.9!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -6.51! C(o=-6.5!,f=-6.2!) USER MOD Single : A 74 GLN : amide:sc= -1.78 K(o=-1.8,f=-8.6!) USER MOD Single : A 79 HIS : no HD1:sc=-0.00687 X(o=-0.0069,f=-0.095) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= -0.406 X(o=-0.41,f=-0.069) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 95 HIS : no HD1:sc= -0.16 X(o=-0.16,f=-0.3) USER MOD Single : A 97 GLN : amide:sc= -0.066 K(o=-0.066,f=-1) USER MOD Single : A 103 SER OG : rot 58:sc= 0.00191 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 1.330 0.000 0.000 1.00 0.00 N ATOM 2 CA GLY A -1 2.071 0.001 -1.247 1.00 0.00 C ATOM 3 C GLY A -1 1.457 -0.913 -2.288 1.00 0.00 C ATOM 4 O GLY A -1 0.384 -1.478 -2.073 1.00 0.00 O ATOM 0 H1 GLY A -1 0.994 0.963 0.205 1.00 0.00 H new ATOM 0 H2 GLY A -1 0.515 -0.641 -0.081 1.00 0.00 H new ATOM 0 H3 GLY A -1 1.949 -0.323 0.771 1.00 0.00 H new ATOM 0 HA2 GLY A -1 2.113 1.017 -1.640 1.00 0.00 H new ATOM 0 HA3 GLY A -1 3.098 -0.310 -1.056 1.00 0.00 H new ATOM 8 N SER A 0 2.136 -1.059 -3.421 1.00 0.00 N ATOM 9 CA SER A 0 1.648 -1.907 -4.502 1.00 0.00 C ATOM 10 C SER A 0 2.650 -3.011 -4.822 1.00 0.00 C ATOM 11 O SER A 0 3.055 -3.183 -5.971 1.00 0.00 O ATOM 12 CB SER A 0 1.377 -1.069 -5.754 1.00 0.00 C ATOM 13 OG SER A 0 2.459 -0.196 -6.026 1.00 0.00 O ATOM 0 H SER A 0 3.026 -0.601 -3.614 1.00 0.00 H new ATOM 0 HA SER A 0 0.717 -2.370 -4.175 1.00 0.00 H new ATOM 0 HB2 SER A 0 1.213 -1.727 -6.607 1.00 0.00 H new ATOM 0 HB3 SER A 0 0.464 -0.490 -5.617 1.00 0.00 H new ATOM 0 HG SER A 0 2.263 0.327 -6.831 1.00 0.00 H new ATOM 19 N ALA A 1 3.047 -3.757 -3.796 1.00 0.00 N ATOM 20 CA ALA A 1 4.001 -4.846 -3.967 1.00 0.00 C ATOM 21 C ALA A 1 3.284 -6.174 -4.190 1.00 0.00 C ATOM 22 O ALA A 1 3.356 -6.755 -5.273 1.00 0.00 O ATOM 23 CB ALA A 1 4.920 -4.937 -2.758 1.00 0.00 C ATOM 0 H ALA A 1 2.723 -3.627 -2.838 1.00 0.00 H new ATOM 0 HA ALA A 1 4.602 -4.634 -4.851 1.00 0.00 H new ATOM 0 HB1 ALA A 1 5.627 -5.754 -2.899 1.00 0.00 H new ATOM 0 HB2 ALA A 1 5.466 -4.000 -2.645 1.00 0.00 H new ATOM 0 HB3 ALA A 1 4.326 -5.122 -1.863 1.00 0.00 H new ATOM 29 N ARG A 2 2.593 -6.649 -3.159 1.00 0.00 N ATOM 30 CA ARG A 2 1.865 -7.909 -3.242 1.00 0.00 C ATOM 31 C ARG A 2 0.894 -7.899 -4.419 1.00 0.00 C ATOM 32 O ARG A 2 0.829 -8.856 -5.190 1.00 0.00 O ATOM 33 CB ARG A 2 1.104 -8.169 -1.941 1.00 0.00 C ATOM 34 CG ARG A 2 1.608 -9.379 -1.171 1.00 0.00 C ATOM 35 CD ARG A 2 1.380 -10.667 -1.946 1.00 0.00 C ATOM 36 NE ARG A 2 0.149 -11.340 -1.540 1.00 0.00 N ATOM 37 CZ ARG A 2 -0.003 -11.952 -0.371 1.00 0.00 C ATOM 38 NH1 ARG A 2 0.994 -11.976 0.503 1.00 0.00 N ATOM 39 NH2 ARG A 2 -1.154 -12.541 -0.073 1.00 0.00 N ATOM 0 H ARG A 2 2.522 -6.180 -2.256 1.00 0.00 H new ATOM 0 HA ARG A 2 2.589 -8.709 -3.397 1.00 0.00 H new ATOM 0 HB2 ARG A 2 1.178 -7.287 -1.304 1.00 0.00 H new ATOM 0 HB3 ARG A 2 0.048 -8.309 -2.170 1.00 0.00 H new ATOM 0 HG2 ARG A 2 2.671 -9.262 -0.963 1.00 0.00 H new ATOM 0 HG3 ARG A 2 1.099 -9.437 -0.209 1.00 0.00 H new ATOM 0 HD2 ARG A 2 1.337 -10.446 -3.012 1.00 0.00 H new ATOM 0 HD3 ARG A 2 2.226 -11.337 -1.793 1.00 0.00 H new ATOM 0 HE ARG A 2 -0.637 -11.340 -2.190 1.00 0.00 H new ATOM 0 HH11 ARG A 2 1.880 -11.524 0.278 1.00 0.00 H new ATOM 0 HH12 ARG A 2 0.875 -12.447 1.400 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -1.924 -12.524 -0.742 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -1.269 -13.011 0.825 1.00 0.00 H new ATOM 53 N GLN A 3 0.141 -6.811 -4.549 1.00 0.00 N ATOM 54 CA GLN A 3 -0.827 -6.678 -5.631 1.00 0.00 C ATOM 55 C GLN A 3 -0.156 -6.867 -6.988 1.00 0.00 C ATOM 56 O GLN A 3 -0.753 -7.414 -7.917 1.00 0.00 O ATOM 57 CB GLN A 3 -1.506 -5.309 -5.571 1.00 0.00 C ATOM 58 CG GLN A 3 -0.529 -4.144 -5.585 1.00 0.00 C ATOM 59 CD GLN A 3 -1.224 -2.801 -5.690 1.00 0.00 C ATOM 60 OE1 GLN A 3 -1.204 -2.159 -6.740 1.00 0.00 O ATOM 61 NE2 GLN A 3 -1.845 -2.369 -4.598 1.00 0.00 N ATOM 0 H GLN A 3 0.183 -6.010 -3.919 1.00 0.00 H new ATOM 0 HA GLN A 3 -1.581 -7.455 -5.507 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -2.186 -5.212 -6.418 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -2.113 -5.253 -4.667 1.00 0.00 H new ATOM 0 HG2 GLN A 3 0.072 -4.168 -4.676 1.00 0.00 H new ATOM 0 HG3 GLN A 3 0.157 -4.260 -6.424 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -1.836 -2.934 -3.749 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -2.331 -1.472 -4.609 1.00 0.00 H new ATOM 70 N LEU A 4 1.087 -6.411 -7.096 1.00 0.00 N ATOM 71 CA LEU A 4 1.839 -6.529 -8.341 1.00 0.00 C ATOM 72 C LEU A 4 2.668 -7.810 -8.356 1.00 0.00 C ATOM 73 O LEU A 4 3.244 -8.176 -9.381 1.00 0.00 O ATOM 74 CB LEU A 4 2.752 -5.315 -8.525 1.00 0.00 C ATOM 75 CG LEU A 4 2.240 -4.229 -9.472 1.00 0.00 C ATOM 76 CD1 LEU A 4 0.820 -3.827 -9.106 1.00 0.00 C ATOM 77 CD2 LEU A 4 3.164 -3.020 -9.445 1.00 0.00 C ATOM 0 H LEU A 4 1.595 -5.956 -6.337 1.00 0.00 H new ATOM 0 HA LEU A 4 1.127 -6.569 -9.165 1.00 0.00 H new ATOM 0 HB2 LEU A 4 2.926 -4.865 -7.548 1.00 0.00 H new ATOM 0 HB3 LEU A 4 3.717 -5.664 -8.892 1.00 0.00 H new ATOM 0 HG LEU A 4 2.231 -4.631 -10.485 1.00 0.00 H new ATOM 0 HD11 LEU A 4 0.473 -3.053 -9.791 1.00 0.00 H new ATOM 0 HD12 LEU A 4 0.166 -4.696 -9.178 1.00 0.00 H new ATOM 0 HD13 LEU A 4 0.802 -3.443 -8.086 1.00 0.00 H new ATOM 0 HD21 LEU A 4 2.785 -2.257 -10.125 1.00 0.00 H new ATOM 0 HD22 LEU A 4 3.206 -2.617 -8.433 1.00 0.00 H new ATOM 0 HD23 LEU A 4 4.164 -3.319 -9.758 1.00 0.00 H new ATOM 89 N SER A 5 2.723 -8.487 -7.214 1.00 0.00 N ATOM 90 CA SER A 5 3.482 -9.726 -7.096 1.00 0.00 C ATOM 91 C SER A 5 2.828 -10.844 -7.902 1.00 0.00 C ATOM 92 O SER A 5 3.414 -11.908 -8.100 1.00 0.00 O ATOM 93 CB SER A 5 3.597 -10.141 -5.627 1.00 0.00 C ATOM 94 OG SER A 5 4.267 -9.150 -4.868 1.00 0.00 O ATOM 0 H SER A 5 2.251 -8.198 -6.357 1.00 0.00 H new ATOM 0 HA SER A 5 4.481 -9.550 -7.496 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.602 -10.309 -5.214 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.136 -11.086 -5.554 1.00 0.00 H new ATOM 0 HG SER A 5 3.995 -8.261 -5.178 1.00 0.00 H new ATOM 100 N LYS A 6 1.608 -10.594 -8.365 1.00 0.00 N ATOM 101 CA LYS A 6 0.872 -11.577 -9.152 1.00 0.00 C ATOM 102 C LYS A 6 1.735 -12.126 -10.283 1.00 0.00 C ATOM 103 O LYS A 6 1.610 -13.290 -10.664 1.00 0.00 O ATOM 104 CB LYS A 6 -0.401 -10.951 -9.726 1.00 0.00 C ATOM 105 CG LYS A 6 -1.331 -11.957 -10.382 1.00 0.00 C ATOM 106 CD LYS A 6 -2.168 -11.312 -11.474 1.00 0.00 C ATOM 107 CE LYS A 6 -3.263 -10.432 -10.891 1.00 0.00 C ATOM 108 NZ LYS A 6 -4.543 -11.175 -10.725 1.00 0.00 N ATOM 0 H LYS A 6 1.108 -9.719 -8.209 1.00 0.00 H new ATOM 0 HA LYS A 6 0.600 -12.402 -8.494 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -0.937 -10.441 -8.926 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -0.125 -10.193 -10.459 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.746 -12.773 -10.805 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -1.987 -12.393 -9.629 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -1.526 -10.715 -12.121 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -2.615 -12.087 -12.096 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -2.941 -10.044 -9.925 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -3.424 -9.573 -11.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.263 -10.540 -10.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -4.864 -11.524 -11.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -4.396 -11.980 -10.083 1.00 0.00 H new ATOM 122 N LEU A 7 2.612 -11.282 -10.815 1.00 0.00 N ATOM 123 CA LEU A 7 3.498 -11.683 -11.902 1.00 0.00 C ATOM 124 C LEU A 7 4.827 -12.200 -11.359 1.00 0.00 C ATOM 125 O LEU A 7 5.517 -12.981 -12.015 1.00 0.00 O ATOM 126 CB LEU A 7 3.744 -10.506 -12.847 1.00 0.00 C ATOM 127 CG LEU A 7 4.645 -10.788 -14.050 1.00 0.00 C ATOM 128 CD1 LEU A 7 6.110 -10.675 -13.658 1.00 0.00 C ATOM 129 CD2 LEU A 7 4.350 -12.165 -14.627 1.00 0.00 C ATOM 0 H LEU A 7 2.729 -10.315 -10.511 1.00 0.00 H new ATOM 0 HA LEU A 7 3.014 -12.489 -12.454 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.780 -10.154 -13.215 1.00 0.00 H new ATOM 0 HB3 LEU A 7 4.183 -9.690 -12.273 1.00 0.00 H new ATOM 0 HG LEU A 7 4.437 -10.043 -14.818 1.00 0.00 H new ATOM 0 HD11 LEU A 7 6.736 -10.879 -14.527 1.00 0.00 H new ATOM 0 HD12 LEU A 7 6.312 -9.668 -13.293 1.00 0.00 H new ATOM 0 HD13 LEU A 7 6.333 -11.397 -12.873 1.00 0.00 H new ATOM 0 HD21 LEU A 7 5.001 -12.348 -15.482 1.00 0.00 H new ATOM 0 HD22 LEU A 7 4.529 -12.924 -13.866 1.00 0.00 H new ATOM 0 HD23 LEU A 7 3.309 -12.210 -14.947 1.00 0.00 H new ATOM 141 N LYS A 8 5.179 -11.762 -10.155 1.00 0.00 N ATOM 142 CA LYS A 8 6.422 -12.182 -9.520 1.00 0.00 C ATOM 143 C LYS A 8 6.603 -13.693 -9.625 1.00 0.00 C ATOM 144 O LYS A 8 7.568 -14.173 -10.220 1.00 0.00 O ATOM 145 CB LYS A 8 6.438 -11.756 -8.051 1.00 0.00 C ATOM 146 CG LYS A 8 7.757 -12.035 -7.351 1.00 0.00 C ATOM 147 CD LYS A 8 7.555 -12.318 -5.872 1.00 0.00 C ATOM 148 CE LYS A 8 7.262 -13.789 -5.621 1.00 0.00 C ATOM 149 NZ LYS A 8 6.947 -14.056 -4.190 1.00 0.00 N ATOM 0 H LYS A 8 4.620 -11.115 -9.599 1.00 0.00 H new ATOM 0 HA LYS A 8 7.248 -11.698 -10.041 1.00 0.00 H new ATOM 0 HB2 LYS A 8 6.222 -10.690 -7.988 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.639 -12.275 -7.522 1.00 0.00 H new ATOM 0 HG2 LYS A 8 8.246 -12.888 -7.822 1.00 0.00 H new ATOM 0 HG3 LYS A 8 8.422 -11.179 -7.471 1.00 0.00 H new ATOM 0 HD2 LYS A 8 8.447 -12.024 -5.319 1.00 0.00 H new ATOM 0 HD3 LYS A 8 6.732 -11.712 -5.494 1.00 0.00 H new ATOM 0 HE2 LYS A 8 6.423 -14.103 -6.242 1.00 0.00 H new ATOM 0 HE3 LYS A 8 8.123 -14.387 -5.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 6.753 -15.070 -4.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 7.757 -13.780 -3.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.110 -13.505 -3.910 1.00 0.00 H new ATOM 163 N ARG A 9 5.668 -14.438 -9.044 1.00 0.00 N ATOM 164 CA ARG A 9 5.724 -15.894 -9.072 1.00 0.00 C ATOM 165 C ARG A 9 5.960 -16.402 -10.492 1.00 0.00 C ATOM 166 O ARG A 9 6.905 -17.150 -10.746 1.00 0.00 O ATOM 167 CB ARG A 9 4.428 -16.487 -8.516 1.00 0.00 C ATOM 168 CG ARG A 9 4.000 -15.879 -7.190 1.00 0.00 C ATOM 169 CD ARG A 9 2.841 -16.647 -6.574 1.00 0.00 C ATOM 170 NE ARG A 9 3.298 -17.800 -5.802 1.00 0.00 N ATOM 171 CZ ARG A 9 2.477 -18.687 -5.251 1.00 0.00 C ATOM 172 NH1 ARG A 9 1.165 -18.553 -5.385 1.00 0.00 N ATOM 173 NH2 ARG A 9 2.969 -19.710 -4.564 1.00 0.00 N ATOM 0 H ARG A 9 4.862 -14.057 -8.548 1.00 0.00 H new ATOM 0 HA ARG A 9 6.558 -16.212 -8.447 1.00 0.00 H new ATOM 0 HB2 ARG A 9 3.631 -16.345 -9.246 1.00 0.00 H new ATOM 0 HB3 ARG A 9 4.555 -17.562 -8.389 1.00 0.00 H new ATOM 0 HG2 ARG A 9 4.844 -15.877 -6.500 1.00 0.00 H new ATOM 0 HG3 ARG A 9 3.709 -14.839 -7.342 1.00 0.00 H new ATOM 0 HD2 ARG A 9 2.268 -15.982 -5.928 1.00 0.00 H new ATOM 0 HD3 ARG A 9 2.168 -16.983 -7.363 1.00 0.00 H new ATOM 0 HE ARG A 9 4.302 -17.931 -5.679 1.00 0.00 H new ATOM 0 HH11 ARG A 9 0.784 -17.767 -5.912 1.00 0.00 H new ATOM 0 HH12 ARG A 9 0.537 -19.236 -4.961 1.00 0.00 H new ATOM 0 HH21 ARG A 9 3.978 -19.816 -4.459 1.00 0.00 H new ATOM 0 HH22 ARG A 9 2.338 -20.391 -4.141 1.00 0.00 H new ATOM 187 N PHE A 10 5.095 -15.990 -11.413 1.00 0.00 N ATOM 188 CA PHE A 10 5.209 -16.404 -12.807 1.00 0.00 C ATOM 189 C PHE A 10 6.620 -16.163 -13.333 1.00 0.00 C ATOM 190 O PHE A 10 7.222 -17.041 -13.954 1.00 0.00 O ATOM 191 CB PHE A 10 4.195 -15.649 -13.669 1.00 0.00 C ATOM 192 CG PHE A 10 4.349 -15.908 -15.140 1.00 0.00 C ATOM 193 CD1 PHE A 10 5.268 -15.193 -15.891 1.00 0.00 C ATOM 194 CD2 PHE A 10 3.573 -16.867 -15.773 1.00 0.00 C ATOM 195 CE1 PHE A 10 5.412 -15.430 -17.245 1.00 0.00 C ATOM 196 CE2 PHE A 10 3.713 -17.108 -17.126 1.00 0.00 C ATOM 197 CZ PHE A 10 4.633 -16.388 -17.864 1.00 0.00 C ATOM 0 H PHE A 10 4.308 -15.370 -11.220 1.00 0.00 H new ATOM 0 HA PHE A 10 4.998 -17.472 -12.861 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.188 -15.931 -13.362 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.297 -14.580 -13.484 1.00 0.00 H new ATOM 0 HD1 PHE A 10 5.879 -14.442 -15.413 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.851 -17.432 -15.202 1.00 0.00 H new ATOM 0 HE1 PHE A 10 6.133 -14.867 -17.819 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.104 -17.859 -17.607 1.00 0.00 H new ATOM 0 HZ PHE A 10 4.743 -16.574 -18.922 1.00 0.00 H new ATOM 207 N LEU A 11 7.143 -14.968 -13.081 1.00 0.00 N ATOM 208 CA LEU A 11 8.485 -14.610 -13.528 1.00 0.00 C ATOM 209 C LEU A 11 9.526 -15.555 -12.938 1.00 0.00 C ATOM 210 O LEU A 11 10.361 -16.105 -13.657 1.00 0.00 O ATOM 211 CB LEU A 11 8.807 -13.167 -13.135 1.00 0.00 C ATOM 212 CG LEU A 11 9.489 -12.316 -14.206 1.00 0.00 C ATOM 213 CD1 LEU A 11 10.861 -12.880 -14.543 1.00 0.00 C ATOM 214 CD2 LEU A 11 8.623 -12.235 -15.455 1.00 0.00 C ATOM 0 H LEU A 11 6.658 -14.230 -12.570 1.00 0.00 H new ATOM 0 HA LEU A 11 8.515 -14.699 -14.614 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.879 -12.675 -12.845 1.00 0.00 H new ATOM 0 HB3 LEU A 11 9.447 -13.186 -12.253 1.00 0.00 H new ATOM 0 HG LEU A 11 9.620 -11.308 -13.812 1.00 0.00 H new ATOM 0 HD11 LEU A 11 11.331 -12.261 -15.307 1.00 0.00 H new ATOM 0 HD12 LEU A 11 11.482 -12.885 -13.647 1.00 0.00 H new ATOM 0 HD13 LEU A 11 10.754 -13.898 -14.916 1.00 0.00 H new ATOM 0 HD21 LEU A 11 9.124 -11.625 -16.207 1.00 0.00 H new ATOM 0 HD22 LEU A 11 8.460 -13.238 -15.851 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.663 -11.784 -15.204 1.00 0.00 H new ATOM 226 N THR A 12 9.471 -15.741 -11.623 1.00 0.00 N ATOM 227 CA THR A 12 10.409 -16.620 -10.935 1.00 0.00 C ATOM 228 C THR A 12 10.477 -17.985 -11.609 1.00 0.00 C ATOM 229 O THR A 12 11.538 -18.412 -12.065 1.00 0.00 O ATOM 230 CB THR A 12 10.021 -16.808 -9.456 1.00 0.00 C ATOM 231 OG1 THR A 12 9.289 -15.668 -8.993 1.00 0.00 O ATOM 232 CG2 THR A 12 11.258 -17.007 -8.594 1.00 0.00 C ATOM 0 H THR A 12 8.786 -15.295 -11.013 1.00 0.00 H new ATOM 0 HA THR A 12 11.388 -16.143 -10.988 1.00 0.00 H new ATOM 0 HB THR A 12 9.395 -17.697 -9.377 1.00 0.00 H new ATOM 0 HG1 THR A 12 9.660 -14.855 -9.396 1.00 0.00 H new ATOM 0 HG21 THR A 12 10.959 -17.138 -7.554 1.00 0.00 H new ATOM 0 HG22 THR A 12 11.797 -17.892 -8.931 1.00 0.00 H new ATOM 0 HG23 THR A 12 11.905 -16.134 -8.679 1.00 0.00 H new ATOM 240 N THR A 13 9.338 -18.668 -11.669 1.00 0.00 N ATOM 241 CA THR A 13 9.269 -19.986 -12.287 1.00 0.00 C ATOM 242 C THR A 13 9.594 -19.914 -13.774 1.00 0.00 C ATOM 243 O THR A 13 10.159 -20.850 -14.343 1.00 0.00 O ATOM 244 CB THR A 13 7.876 -20.618 -12.108 1.00 0.00 C ATOM 245 OG1 THR A 13 7.829 -21.894 -12.756 1.00 0.00 O ATOM 246 CG2 THR A 13 6.794 -19.714 -12.679 1.00 0.00 C ATOM 0 H THR A 13 8.451 -18.330 -11.297 1.00 0.00 H new ATOM 0 HA THR A 13 10.010 -20.609 -11.786 1.00 0.00 H new ATOM 0 HB THR A 13 7.695 -20.746 -11.041 1.00 0.00 H new ATOM 0 HG1 THR A 13 6.940 -22.289 -12.636 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.819 -20.181 -12.541 1.00 0.00 H new ATOM 0 HG22 THR A 13 6.812 -18.754 -12.163 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.974 -19.558 -13.743 1.00 0.00 H new ATOM 254 N LEU A 14 9.236 -18.798 -14.400 1.00 0.00 N ATOM 255 CA LEU A 14 9.492 -18.603 -15.823 1.00 0.00 C ATOM 256 C LEU A 14 10.988 -18.625 -16.116 1.00 0.00 C ATOM 257 O LEU A 14 11.429 -19.221 -17.098 1.00 0.00 O ATOM 258 CB LEU A 14 8.887 -17.279 -16.293 1.00 0.00 C ATOM 259 CG LEU A 14 9.491 -16.679 -17.563 1.00 0.00 C ATOM 260 CD1 LEU A 14 8.423 -15.966 -18.377 1.00 0.00 C ATOM 261 CD2 LEU A 14 10.624 -15.724 -17.214 1.00 0.00 C ATOM 0 H LEU A 14 8.768 -18.015 -13.945 1.00 0.00 H new ATOM 0 HA LEU A 14 9.023 -19.423 -16.367 1.00 0.00 H new ATOM 0 HB2 LEU A 14 7.820 -17.428 -16.458 1.00 0.00 H new ATOM 0 HB3 LEU A 14 8.987 -16.551 -15.488 1.00 0.00 H new ATOM 0 HG LEU A 14 9.898 -17.490 -18.167 1.00 0.00 H new ATOM 0 HD11 LEU A 14 8.872 -15.545 -19.277 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.645 -16.676 -18.657 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.986 -15.165 -17.781 1.00 0.00 H new ATOM 0 HD21 LEU A 14 11.043 -15.306 -18.130 1.00 0.00 H new ATOM 0 HD22 LEU A 14 10.241 -14.917 -16.589 1.00 0.00 H new ATOM 0 HD23 LEU A 14 11.401 -16.264 -16.673 1.00 0.00 H new ATOM 273 N GLN A 15 11.764 -17.972 -15.256 1.00 0.00 N ATOM 274 CA GLN A 15 13.211 -17.918 -15.422 1.00 0.00 C ATOM 275 C GLN A 15 13.867 -19.191 -14.898 1.00 0.00 C ATOM 276 O GLN A 15 14.912 -19.611 -15.394 1.00 0.00 O ATOM 277 CB GLN A 15 13.784 -16.699 -14.696 1.00 0.00 C ATOM 278 CG GLN A 15 13.562 -16.726 -13.193 1.00 0.00 C ATOM 279 CD GLN A 15 14.371 -15.672 -12.464 1.00 0.00 C ATOM 280 OE1 GLN A 15 15.541 -15.882 -12.143 1.00 0.00 O ATOM 281 NE2 GLN A 15 13.751 -14.528 -12.199 1.00 0.00 N ATOM 0 H GLN A 15 11.414 -17.473 -14.438 1.00 0.00 H new ATOM 0 HA GLN A 15 13.426 -17.832 -16.487 1.00 0.00 H new ATOM 0 HB2 GLN A 15 14.854 -16.637 -14.896 1.00 0.00 H new ATOM 0 HB3 GLN A 15 13.331 -15.796 -15.106 1.00 0.00 H new ATOM 0 HG2 GLN A 15 12.503 -16.575 -12.983 1.00 0.00 H new ATOM 0 HG3 GLN A 15 13.826 -17.711 -12.808 1.00 0.00 H new ATOM 0 HE21 GLN A 15 12.780 -14.396 -12.483 1.00 0.00 H new ATOM 0 HE22 GLN A 15 14.245 -13.781 -11.711 1.00 0.00 H new ATOM 290 N GLN A 16 13.247 -19.800 -13.892 1.00 0.00 N ATOM 291 CA GLN A 16 13.772 -21.025 -13.301 1.00 0.00 C ATOM 292 C GLN A 16 13.616 -22.202 -14.258 1.00 0.00 C ATOM 293 O GLN A 16 14.544 -22.989 -14.448 1.00 0.00 O ATOM 294 CB GLN A 16 13.058 -21.326 -11.982 1.00 0.00 C ATOM 295 CG GLN A 16 13.328 -20.298 -10.895 1.00 0.00 C ATOM 296 CD GLN A 16 14.323 -20.788 -9.862 1.00 0.00 C ATOM 297 OE1 GLN A 16 13.965 -21.514 -8.934 1.00 0.00 O ATOM 298 NE2 GLN A 16 15.581 -20.393 -10.017 1.00 0.00 N ATOM 0 H GLN A 16 12.381 -19.465 -13.470 1.00 0.00 H new ATOM 0 HA GLN A 16 14.834 -20.878 -13.106 1.00 0.00 H new ATOM 0 HB2 GLN A 16 11.984 -21.377 -12.163 1.00 0.00 H new ATOM 0 HB3 GLN A 16 13.369 -22.308 -11.626 1.00 0.00 H new ATOM 0 HG2 GLN A 16 13.705 -19.383 -11.351 1.00 0.00 H new ATOM 0 HG3 GLN A 16 12.391 -20.044 -10.399 1.00 0.00 H new ATOM 0 HE21 GLN A 16 15.834 -19.791 -10.801 1.00 0.00 H new ATOM 0 HE22 GLN A 16 16.295 -20.691 -9.352 1.00 0.00 H new ATOM 307 N PHE A 17 12.436 -22.318 -14.858 1.00 0.00 N ATOM 308 CA PHE A 17 12.157 -23.400 -15.795 1.00 0.00 C ATOM 309 C PHE A 17 12.481 -22.979 -17.225 1.00 0.00 C ATOM 310 O PHE A 17 12.454 -23.795 -18.145 1.00 0.00 O ATOM 311 CB PHE A 17 10.690 -23.824 -15.695 1.00 0.00 C ATOM 312 CG PHE A 17 10.486 -25.308 -15.808 1.00 0.00 C ATOM 313 CD1 PHE A 17 10.727 -26.138 -14.725 1.00 0.00 C ATOM 314 CD2 PHE A 17 10.053 -25.872 -16.997 1.00 0.00 C ATOM 315 CE1 PHE A 17 10.541 -27.504 -14.827 1.00 0.00 C ATOM 316 CE2 PHE A 17 9.864 -27.238 -17.104 1.00 0.00 C ATOM 317 CZ PHE A 17 10.108 -28.054 -16.017 1.00 0.00 C ATOM 0 H PHE A 17 11.657 -21.676 -14.712 1.00 0.00 H new ATOM 0 HA PHE A 17 12.791 -24.247 -15.533 1.00 0.00 H new ATOM 0 HB2 PHE A 17 10.285 -23.481 -14.743 1.00 0.00 H new ATOM 0 HB3 PHE A 17 10.122 -23.326 -16.481 1.00 0.00 H new ATOM 0 HD1 PHE A 17 11.064 -25.713 -13.791 1.00 0.00 H new ATOM 0 HD2 PHE A 17 9.861 -25.238 -17.850 1.00 0.00 H new ATOM 0 HE1 PHE A 17 10.734 -28.141 -13.976 1.00 0.00 H new ATOM 0 HE2 PHE A 17 9.526 -27.666 -18.036 1.00 0.00 H new ATOM 0 HZ PHE A 17 9.960 -29.121 -16.098 1.00 0.00 H new ATOM 327 N GLY A 18 12.786 -21.697 -17.403 1.00 0.00 N ATOM 328 CA GLY A 18 13.110 -21.188 -18.723 1.00 0.00 C ATOM 329 C GLY A 18 14.264 -21.932 -19.365 1.00 0.00 C ATOM 330 O GLY A 18 14.420 -21.916 -20.585 1.00 0.00 O ATOM 0 H GLY A 18 12.814 -21.002 -16.657 1.00 0.00 H new ATOM 0 HA2 GLY A 18 12.232 -21.264 -19.364 1.00 0.00 H new ATOM 0 HA3 GLY A 18 13.360 -20.130 -18.649 1.00 0.00 H new ATOM 334 N ASN A 19 15.076 -22.586 -18.540 1.00 0.00 N ATOM 335 CA ASN A 19 16.224 -23.338 -19.034 1.00 0.00 C ATOM 336 C ASN A 19 15.804 -24.730 -19.496 1.00 0.00 C ATOM 337 O ASN A 19 16.569 -25.433 -20.157 1.00 0.00 O ATOM 338 CB ASN A 19 17.293 -23.450 -17.945 1.00 0.00 C ATOM 339 CG ASN A 19 18.689 -23.185 -18.476 1.00 0.00 C ATOM 340 OD1 ASN A 19 18.897 -23.089 -19.686 1.00 0.00 O ATOM 341 ND2 ASN A 19 19.653 -23.065 -17.571 1.00 0.00 N ATOM 0 H ASN A 19 14.960 -22.610 -17.527 1.00 0.00 H new ATOM 0 HA ASN A 19 16.639 -22.802 -19.887 1.00 0.00 H new ATOM 0 HB2 ASN A 19 17.070 -22.742 -17.147 1.00 0.00 H new ATOM 0 HB3 ASN A 19 17.257 -24.447 -17.506 1.00 0.00 H new ATOM 0 HD21 ASN A 19 20.612 -22.886 -17.868 1.00 0.00 H new ATOM 0 HD22 ASN A 19 19.434 -23.152 -16.578 1.00 0.00 H new ATOM 348 N ASP A 20 14.585 -25.121 -19.143 1.00 0.00 N ATOM 349 CA ASP A 20 14.062 -26.429 -19.523 1.00 0.00 C ATOM 350 C ASP A 20 13.480 -26.394 -20.932 1.00 0.00 C ATOM 351 O ASP A 20 13.770 -27.262 -21.756 1.00 0.00 O ATOM 352 CB ASP A 20 12.992 -26.882 -18.528 1.00 0.00 C ATOM 353 CG ASP A 20 12.850 -28.391 -18.478 1.00 0.00 C ATOM 354 OD1 ASP A 20 12.841 -29.021 -19.555 1.00 0.00 O ATOM 355 OD2 ASP A 20 12.748 -28.941 -17.361 1.00 0.00 O ATOM 0 H ASP A 20 13.940 -24.552 -18.595 1.00 0.00 H new ATOM 0 HA ASP A 20 14.887 -27.141 -19.508 1.00 0.00 H new ATOM 0 HB2 ASP A 20 13.243 -26.510 -17.535 1.00 0.00 H new ATOM 0 HB3 ASP A 20 12.035 -26.439 -18.802 1.00 0.00 H new ATOM 360 N ILE A 21 12.658 -25.385 -21.202 1.00 0.00 N ATOM 361 CA ILE A 21 12.036 -25.238 -22.512 1.00 0.00 C ATOM 362 C ILE A 21 13.072 -25.330 -23.627 1.00 0.00 C ATOM 363 O ILE A 21 12.814 -25.907 -24.683 1.00 0.00 O ATOM 364 CB ILE A 21 11.288 -23.897 -22.632 1.00 0.00 C ATOM 365 CG1 ILE A 21 10.810 -23.681 -24.070 1.00 0.00 C ATOM 366 CG2 ILE A 21 12.183 -22.749 -22.189 1.00 0.00 C ATOM 367 CD1 ILE A 21 10.036 -22.396 -24.263 1.00 0.00 C ATOM 0 H ILE A 21 12.408 -24.658 -20.532 1.00 0.00 H new ATOM 0 HA ILE A 21 11.322 -26.055 -22.615 1.00 0.00 H new ATOM 0 HB ILE A 21 10.416 -23.926 -21.979 1.00 0.00 H new ATOM 0 HG12 ILE A 21 11.674 -23.679 -24.735 1.00 0.00 H new ATOM 0 HG13 ILE A 21 10.182 -24.522 -24.366 1.00 0.00 H new ATOM 0 HG21 ILE A 21 11.640 -21.808 -22.280 1.00 0.00 H new ATOM 0 HG22 ILE A 21 12.479 -22.898 -21.151 1.00 0.00 H new ATOM 0 HG23 ILE A 21 13.072 -22.717 -22.819 1.00 0.00 H new ATOM 0 HD11 ILE A 21 9.729 -22.309 -25.305 1.00 0.00 H new ATOM 0 HD12 ILE A 21 9.153 -22.404 -23.624 1.00 0.00 H new ATOM 0 HD13 ILE A 21 10.668 -21.548 -23.999 1.00 0.00 H new ATOM 379 N SER A 22 14.248 -24.759 -23.383 1.00 0.00 N ATOM 380 CA SER A 22 15.324 -24.776 -24.367 1.00 0.00 C ATOM 381 C SER A 22 16.494 -23.911 -23.907 1.00 0.00 C ATOM 382 O SER A 22 16.369 -23.080 -23.007 1.00 0.00 O ATOM 383 CB SER A 22 14.813 -24.283 -25.722 1.00 0.00 C ATOM 384 OG SER A 22 13.685 -23.438 -25.565 1.00 0.00 O ATOM 0 H SER A 22 14.479 -24.279 -22.513 1.00 0.00 H new ATOM 0 HA SER A 22 15.672 -25.804 -24.470 1.00 0.00 H new ATOM 0 HB2 SER A 22 15.606 -23.743 -26.239 1.00 0.00 H new ATOM 0 HB3 SER A 22 14.548 -25.136 -26.347 1.00 0.00 H new ATOM 0 HG SER A 22 13.378 -23.135 -26.445 1.00 0.00 H new ATOM 390 N PRO A 23 17.660 -24.110 -24.539 1.00 0.00 N ATOM 391 CA PRO A 23 18.875 -23.358 -24.213 1.00 0.00 C ATOM 392 C PRO A 23 18.783 -21.895 -24.635 1.00 0.00 C ATOM 393 O PRO A 23 19.053 -20.994 -23.842 1.00 0.00 O ATOM 394 CB PRO A 23 19.963 -24.078 -25.013 1.00 0.00 C ATOM 395 CG PRO A 23 19.240 -24.713 -26.150 1.00 0.00 C ATOM 396 CD PRO A 23 17.882 -25.083 -25.622 1.00 0.00 C ATOM 0 HA PRO A 23 19.062 -23.332 -23.140 1.00 0.00 H new ATOM 0 HB2 PRO A 23 20.722 -23.380 -25.367 1.00 0.00 H new ATOM 0 HB3 PRO A 23 20.475 -24.823 -24.404 1.00 0.00 H new ATOM 0 HG2 PRO A 23 19.157 -24.026 -26.992 1.00 0.00 H new ATOM 0 HG3 PRO A 23 19.773 -25.594 -26.508 1.00 0.00 H new ATOM 0 HD2 PRO A 23 17.116 -25.007 -26.394 1.00 0.00 H new ATOM 0 HD3 PRO A 23 17.860 -26.108 -25.252 1.00 0.00 H new ATOM 404 N GLU A 24 18.400 -21.669 -25.888 1.00 0.00 N ATOM 405 CA GLU A 24 18.274 -20.315 -26.414 1.00 0.00 C ATOM 406 C GLU A 24 17.415 -19.452 -25.494 1.00 0.00 C ATOM 407 O GLU A 24 17.930 -18.613 -24.754 1.00 0.00 O ATOM 408 CB GLU A 24 17.665 -20.344 -27.818 1.00 0.00 C ATOM 409 CG GLU A 24 16.745 -21.529 -28.058 1.00 0.00 C ATOM 410 CD GLU A 24 15.578 -21.187 -28.963 1.00 0.00 C ATOM 411 OE1 GLU A 24 14.694 -20.421 -28.527 1.00 0.00 O ATOM 412 OE2 GLU A 24 15.549 -21.686 -30.108 1.00 0.00 O ATOM 0 H GLU A 24 18.172 -22.405 -26.556 1.00 0.00 H new ATOM 0 HA GLU A 24 19.272 -19.879 -26.467 1.00 0.00 H new ATOM 0 HB2 GLU A 24 17.107 -19.422 -27.982 1.00 0.00 H new ATOM 0 HB3 GLU A 24 18.469 -20.364 -28.553 1.00 0.00 H new ATOM 0 HG2 GLU A 24 17.317 -22.344 -28.501 1.00 0.00 H new ATOM 0 HG3 GLU A 24 16.365 -21.889 -27.102 1.00 0.00 H new ATOM 419 N ILE A 25 16.105 -19.663 -25.546 1.00 0.00 N ATOM 420 CA ILE A 25 15.175 -18.906 -24.718 1.00 0.00 C ATOM 421 C ILE A 25 15.605 -18.919 -23.255 1.00 0.00 C ATOM 422 O ILE A 25 15.412 -17.943 -22.531 1.00 0.00 O ATOM 423 CB ILE A 25 13.743 -19.462 -24.825 1.00 0.00 C ATOM 424 CG1 ILE A 25 12.772 -18.590 -24.026 1.00 0.00 C ATOM 425 CG2 ILE A 25 13.696 -20.902 -24.335 1.00 0.00 C ATOM 426 CD1 ILE A 25 12.937 -17.109 -24.286 1.00 0.00 C ATOM 0 H ILE A 25 15.663 -20.353 -26.154 1.00 0.00 H new ATOM 0 HA ILE A 25 15.186 -17.881 -25.089 1.00 0.00 H new ATOM 0 HB ILE A 25 13.440 -19.444 -25.872 1.00 0.00 H new ATOM 0 HG12 ILE A 25 11.750 -18.882 -24.269 1.00 0.00 H new ATOM 0 HG13 ILE A 25 12.914 -18.782 -22.963 1.00 0.00 H new ATOM 0 HG21 ILE A 25 12.677 -21.281 -24.417 1.00 0.00 H new ATOM 0 HG22 ILE A 25 14.361 -21.515 -24.943 1.00 0.00 H new ATOM 0 HG23 ILE A 25 14.016 -20.943 -23.294 1.00 0.00 H new ATOM 0 HD11 ILE A 25 12.217 -16.552 -23.687 1.00 0.00 H new ATOM 0 HD12 ILE A 25 13.948 -16.803 -24.016 1.00 0.00 H new ATOM 0 HD13 ILE A 25 12.765 -16.904 -25.343 1.00 0.00 H new ATOM 438 N GLY A 26 16.192 -20.033 -22.827 1.00 0.00 N ATOM 439 CA GLY A 26 16.642 -20.153 -21.452 1.00 0.00 C ATOM 440 C GLY A 26 17.654 -19.088 -21.079 1.00 0.00 C ATOM 441 O GLY A 26 17.367 -18.206 -20.270 1.00 0.00 O ATOM 0 H GLY A 26 16.364 -20.854 -23.407 1.00 0.00 H new ATOM 0 HA2 GLY A 26 15.783 -20.084 -20.784 1.00 0.00 H new ATOM 0 HA3 GLY A 26 17.084 -21.138 -21.302 1.00 0.00 H new ATOM 445 N GLU A 27 18.843 -19.170 -21.669 1.00 0.00 N ATOM 446 CA GLU A 27 19.901 -18.207 -21.391 1.00 0.00 C ATOM 447 C GLU A 27 19.384 -16.777 -21.523 1.00 0.00 C ATOM 448 O GLU A 27 19.748 -15.899 -20.741 1.00 0.00 O ATOM 449 CB GLU A 27 21.081 -18.423 -22.341 1.00 0.00 C ATOM 450 CG GLU A 27 20.729 -18.220 -23.805 1.00 0.00 C ATOM 451 CD GLU A 27 21.935 -18.339 -24.717 1.00 0.00 C ATOM 452 OE1 GLU A 27 22.480 -19.457 -24.835 1.00 0.00 O ATOM 453 OE2 GLU A 27 22.333 -17.317 -25.313 1.00 0.00 O ATOM 0 H GLU A 27 19.097 -19.893 -22.342 1.00 0.00 H new ATOM 0 HA GLU A 27 20.236 -18.361 -20.365 1.00 0.00 H new ATOM 0 HB2 GLU A 27 21.884 -17.738 -22.071 1.00 0.00 H new ATOM 0 HB3 GLU A 27 21.465 -19.434 -22.205 1.00 0.00 H new ATOM 0 HG2 GLU A 27 19.981 -18.956 -24.100 1.00 0.00 H new ATOM 0 HG3 GLU A 27 20.277 -17.236 -23.933 1.00 0.00 H new ATOM 460 N ARG A 28 18.534 -16.551 -22.520 1.00 0.00 N ATOM 461 CA ARG A 28 17.968 -15.229 -22.756 1.00 0.00 C ATOM 462 C ARG A 28 17.061 -14.812 -21.602 1.00 0.00 C ATOM 463 O ARG A 28 17.303 -13.802 -20.942 1.00 0.00 O ATOM 464 CB ARG A 28 17.182 -15.214 -24.068 1.00 0.00 C ATOM 465 CG ARG A 28 17.353 -13.932 -24.867 1.00 0.00 C ATOM 466 CD ARG A 28 18.157 -14.170 -26.136 1.00 0.00 C ATOM 467 NE ARG A 28 17.468 -15.066 -27.060 1.00 0.00 N ATOM 468 CZ ARG A 28 17.733 -15.125 -28.361 1.00 0.00 C ATOM 469 NH1 ARG A 28 18.666 -14.344 -28.887 1.00 0.00 N ATOM 470 NH2 ARG A 28 17.063 -15.968 -29.137 1.00 0.00 N ATOM 0 H ARG A 28 18.223 -17.267 -23.177 1.00 0.00 H new ATOM 0 HA ARG A 28 18.790 -14.516 -22.825 1.00 0.00 H new ATOM 0 HB2 ARG A 28 17.498 -16.058 -24.680 1.00 0.00 H new ATOM 0 HB3 ARG A 28 16.124 -15.357 -23.849 1.00 0.00 H new ATOM 0 HG2 ARG A 28 16.374 -13.530 -25.126 1.00 0.00 H new ATOM 0 HG3 ARG A 28 17.853 -13.183 -24.253 1.00 0.00 H new ATOM 0 HD2 ARG A 28 18.347 -13.217 -26.629 1.00 0.00 H new ATOM 0 HD3 ARG A 28 19.127 -14.593 -25.876 1.00 0.00 H new ATOM 0 HE ARG A 28 16.744 -15.680 -26.687 1.00 0.00 H new ATOM 0 HH11 ARG A 28 19.183 -13.696 -28.293 1.00 0.00 H new ATOM 0 HH12 ARG A 28 18.867 -14.391 -29.886 1.00 0.00 H new ATOM 0 HH21 ARG A 28 16.345 -16.570 -28.735 1.00 0.00 H new ATOM 0 HH22 ARG A 28 17.266 -16.013 -30.136 1.00 0.00 H new ATOM 484 N VAL A 29 16.014 -15.596 -21.366 1.00 0.00 N ATOM 485 CA VAL A 29 15.070 -15.309 -20.292 1.00 0.00 C ATOM 486 C VAL A 29 15.798 -14.916 -19.012 1.00 0.00 C ATOM 487 O VAL A 29 15.579 -13.833 -18.469 1.00 0.00 O ATOM 488 CB VAL A 29 14.164 -16.520 -20.003 1.00 0.00 C ATOM 489 CG1 VAL A 29 13.545 -16.405 -18.618 1.00 0.00 C ATOM 490 CG2 VAL A 29 13.086 -16.645 -21.069 1.00 0.00 C ATOM 0 H VAL A 29 15.798 -16.435 -21.904 1.00 0.00 H new ATOM 0 HA VAL A 29 14.453 -14.475 -20.627 1.00 0.00 H new ATOM 0 HB VAL A 29 14.774 -17.423 -20.028 1.00 0.00 H new ATOM 0 HG11 VAL A 29 12.908 -17.270 -18.431 1.00 0.00 H new ATOM 0 HG12 VAL A 29 14.335 -16.368 -17.868 1.00 0.00 H new ATOM 0 HG13 VAL A 29 12.948 -15.495 -18.561 1.00 0.00 H new ATOM 0 HG21 VAL A 29 12.455 -17.506 -20.849 1.00 0.00 H new ATOM 0 HG22 VAL A 29 12.477 -15.741 -21.078 1.00 0.00 H new ATOM 0 HG23 VAL A 29 13.553 -16.777 -22.045 1.00 0.00 H new ATOM 500 N ARG A 30 16.665 -15.802 -18.534 1.00 0.00 N ATOM 501 CA ARG A 30 17.425 -15.548 -17.316 1.00 0.00 C ATOM 502 C ARG A 30 18.294 -14.303 -17.468 1.00 0.00 C ATOM 503 O ARG A 30 18.347 -13.456 -16.575 1.00 0.00 O ATOM 504 CB ARG A 30 18.301 -16.755 -16.975 1.00 0.00 C ATOM 505 CG ARG A 30 19.285 -17.124 -18.073 1.00 0.00 C ATOM 506 CD ARG A 30 19.776 -18.555 -17.924 1.00 0.00 C ATOM 507 NE ARG A 30 21.215 -18.667 -18.146 1.00 0.00 N ATOM 508 CZ ARG A 30 21.942 -19.703 -17.743 1.00 0.00 C ATOM 509 NH1 ARG A 30 21.368 -20.711 -17.101 1.00 0.00 N ATOM 510 NH2 ARG A 30 23.247 -19.732 -17.982 1.00 0.00 N ATOM 0 H ARG A 30 16.859 -16.703 -18.972 1.00 0.00 H new ATOM 0 HA ARG A 30 16.717 -15.380 -16.504 1.00 0.00 H new ATOM 0 HB2 ARG A 30 18.854 -16.545 -16.059 1.00 0.00 H new ATOM 0 HB3 ARG A 30 17.660 -17.612 -16.771 1.00 0.00 H new ATOM 0 HG2 ARG A 30 18.809 -17.001 -19.046 1.00 0.00 H new ATOM 0 HG3 ARG A 30 20.135 -16.442 -18.046 1.00 0.00 H new ATOM 0 HD2 ARG A 30 19.534 -18.919 -16.925 1.00 0.00 H new ATOM 0 HD3 ARG A 30 19.249 -19.194 -18.632 1.00 0.00 H new ATOM 0 HE ARG A 30 21.688 -17.908 -18.637 1.00 0.00 H new ATOM 0 HH11 ARG A 30 20.365 -20.692 -16.915 1.00 0.00 H new ATOM 0 HH12 ARG A 30 21.929 -21.505 -16.793 1.00 0.00 H new ATOM 0 HH21 ARG A 30 23.692 -18.958 -18.475 1.00 0.00 H new ATOM 0 HH22 ARG A 30 23.805 -20.528 -17.672 1.00 0.00 H new ATOM 524 N THR A 31 18.976 -14.197 -18.605 1.00 0.00 N ATOM 525 CA THR A 31 19.843 -13.058 -18.873 1.00 0.00 C ATOM 526 C THR A 31 19.090 -11.743 -18.707 1.00 0.00 C ATOM 527 O THR A 31 19.474 -10.893 -17.902 1.00 0.00 O ATOM 528 CB THR A 31 20.433 -13.123 -20.294 1.00 0.00 C ATOM 529 OG1 THR A 31 21.485 -14.094 -20.344 1.00 0.00 O ATOM 530 CG2 THR A 31 20.970 -11.764 -20.720 1.00 0.00 C ATOM 0 H THR A 31 18.944 -14.888 -19.355 1.00 0.00 H new ATOM 0 HA THR A 31 20.656 -13.102 -18.148 1.00 0.00 H new ATOM 0 HB THR A 31 19.638 -13.414 -20.981 1.00 0.00 H new ATOM 0 HG1 THR A 31 21.110 -14.990 -20.210 1.00 0.00 H new ATOM 0 HG21 THR A 31 21.382 -11.835 -21.727 1.00 0.00 H new ATOM 0 HG22 THR A 31 20.161 -11.033 -20.709 1.00 0.00 H new ATOM 0 HG23 THR A 31 21.752 -11.449 -20.029 1.00 0.00 H new ATOM 538 N LEU A 32 18.017 -11.581 -19.473 1.00 0.00 N ATOM 539 CA LEU A 32 17.209 -10.368 -19.410 1.00 0.00 C ATOM 540 C LEU A 32 16.637 -10.166 -18.010 1.00 0.00 C ATOM 541 O LEU A 32 16.881 -9.144 -17.370 1.00 0.00 O ATOM 542 CB LEU A 32 16.073 -10.435 -20.433 1.00 0.00 C ATOM 543 CG LEU A 32 16.448 -10.963 -21.818 1.00 0.00 C ATOM 544 CD1 LEU A 32 15.356 -10.639 -22.826 1.00 0.00 C ATOM 545 CD2 LEU A 32 17.781 -10.382 -22.267 1.00 0.00 C ATOM 0 H LEU A 32 17.686 -12.274 -20.145 1.00 0.00 H new ATOM 0 HA LEU A 32 17.852 -9.520 -19.645 1.00 0.00 H new ATOM 0 HB2 LEU A 32 15.282 -11.066 -20.027 1.00 0.00 H new ATOM 0 HB3 LEU A 32 15.655 -9.435 -20.548 1.00 0.00 H new ATOM 0 HG LEU A 32 16.549 -12.047 -21.758 1.00 0.00 H new ATOM 0 HD11 LEU A 32 15.640 -11.022 -23.806 1.00 0.00 H new ATOM 0 HD12 LEU A 32 14.421 -11.103 -22.512 1.00 0.00 H new ATOM 0 HD13 LEU A 32 15.223 -9.559 -22.884 1.00 0.00 H new ATOM 0 HD21 LEU A 32 18.032 -10.769 -23.255 1.00 0.00 H new ATOM 0 HD22 LEU A 32 17.708 -9.295 -22.310 1.00 0.00 H new ATOM 0 HD23 LEU A 32 18.559 -10.665 -21.558 1.00 0.00 H new ATOM 557 N VAL A 33 15.875 -11.150 -17.541 1.00 0.00 N ATOM 558 CA VAL A 33 15.271 -11.082 -16.215 1.00 0.00 C ATOM 559 C VAL A 33 16.302 -10.695 -15.160 1.00 0.00 C ATOM 560 O VAL A 33 16.298 -9.572 -14.655 1.00 0.00 O ATOM 561 CB VAL A 33 14.629 -12.426 -15.822 1.00 0.00 C ATOM 562 CG1 VAL A 33 14.141 -12.383 -14.382 1.00 0.00 C ATOM 563 CG2 VAL A 33 13.490 -12.770 -16.770 1.00 0.00 C ATOM 0 H VAL A 33 15.662 -12.002 -18.059 1.00 0.00 H new ATOM 0 HA VAL A 33 14.496 -10.316 -16.259 1.00 0.00 H new ATOM 0 HB VAL A 33 15.385 -13.207 -15.901 1.00 0.00 H new ATOM 0 HG11 VAL A 33 13.690 -13.341 -14.122 1.00 0.00 H new ATOM 0 HG12 VAL A 33 14.983 -12.186 -13.718 1.00 0.00 H new ATOM 0 HG13 VAL A 33 13.400 -11.592 -14.273 1.00 0.00 H new ATOM 0 HG21 VAL A 33 13.048 -13.722 -16.477 1.00 0.00 H new ATOM 0 HG22 VAL A 33 12.731 -11.989 -16.725 1.00 0.00 H new ATOM 0 HG23 VAL A 33 13.874 -12.845 -17.787 1.00 0.00 H new ATOM 573 N LEU A 34 17.184 -11.633 -14.832 1.00 0.00 N ATOM 574 CA LEU A 34 18.223 -11.390 -13.837 1.00 0.00 C ATOM 575 C LEU A 34 18.991 -10.111 -14.152 1.00 0.00 C ATOM 576 O LEU A 34 19.432 -9.401 -13.248 1.00 0.00 O ATOM 577 CB LEU A 34 19.187 -12.576 -13.778 1.00 0.00 C ATOM 578 CG LEU A 34 18.545 -13.958 -13.654 1.00 0.00 C ATOM 579 CD1 LEU A 34 19.594 -15.050 -13.797 1.00 0.00 C ATOM 580 CD2 LEU A 34 17.813 -14.089 -12.326 1.00 0.00 C ATOM 0 H LEU A 34 17.201 -12.568 -15.240 1.00 0.00 H new ATOM 0 HA LEU A 34 17.741 -11.272 -12.866 1.00 0.00 H new ATOM 0 HB2 LEU A 34 19.803 -12.563 -14.677 1.00 0.00 H new ATOM 0 HB3 LEU A 34 19.857 -12.432 -12.931 1.00 0.00 H new ATOM 0 HG LEU A 34 17.819 -14.073 -14.459 1.00 0.00 H new ATOM 0 HD11 LEU A 34 19.118 -16.026 -13.706 1.00 0.00 H new ATOM 0 HD12 LEU A 34 20.072 -14.969 -14.773 1.00 0.00 H new ATOM 0 HD13 LEU A 34 20.345 -14.938 -13.015 1.00 0.00 H new ATOM 0 HD21 LEU A 34 17.362 -15.079 -12.255 1.00 0.00 H new ATOM 0 HD22 LEU A 34 18.519 -13.952 -11.507 1.00 0.00 H new ATOM 0 HD23 LEU A 34 17.033 -13.330 -12.264 1.00 0.00 H new ATOM 592 N GLY A 35 19.145 -9.821 -15.440 1.00 0.00 N ATOM 593 CA GLY A 35 19.858 -8.626 -15.851 1.00 0.00 C ATOM 594 C GLY A 35 19.231 -7.359 -15.304 1.00 0.00 C ATOM 595 O GLY A 35 19.818 -6.682 -14.459 1.00 0.00 O ATOM 0 H GLY A 35 18.789 -10.392 -16.206 1.00 0.00 H new ATOM 0 HA2 GLY A 35 20.893 -8.690 -15.514 1.00 0.00 H new ATOM 0 HA3 GLY A 35 19.880 -8.576 -16.940 1.00 0.00 H new ATOM 599 N LEU A 36 18.036 -7.036 -15.786 1.00 0.00 N ATOM 600 CA LEU A 36 17.329 -5.841 -15.341 1.00 0.00 C ATOM 601 C LEU A 36 17.141 -5.851 -13.828 1.00 0.00 C ATOM 602 O LEU A 36 16.954 -4.804 -13.207 1.00 0.00 O ATOM 603 CB LEU A 36 15.969 -5.741 -16.034 1.00 0.00 C ATOM 604 CG LEU A 36 15.086 -6.987 -15.963 1.00 0.00 C ATOM 605 CD1 LEU A 36 14.266 -6.987 -14.682 1.00 0.00 C ATOM 606 CD2 LEU A 36 14.177 -7.068 -17.180 1.00 0.00 C ATOM 0 H LEU A 36 17.536 -7.585 -16.485 1.00 0.00 H new ATOM 0 HA LEU A 36 17.931 -4.973 -15.608 1.00 0.00 H new ATOM 0 HB2 LEU A 36 15.421 -4.907 -15.596 1.00 0.00 H new ATOM 0 HB3 LEU A 36 16.135 -5.498 -17.083 1.00 0.00 H new ATOM 0 HG LEU A 36 15.731 -7.866 -15.958 1.00 0.00 H new ATOM 0 HD11 LEU A 36 13.643 -7.881 -14.648 1.00 0.00 H new ATOM 0 HD12 LEU A 36 14.935 -6.978 -13.822 1.00 0.00 H new ATOM 0 HD13 LEU A 36 13.631 -6.102 -14.657 1.00 0.00 H new ATOM 0 HD21 LEU A 36 13.556 -7.961 -17.112 1.00 0.00 H new ATOM 0 HD22 LEU A 36 13.539 -6.185 -17.217 1.00 0.00 H new ATOM 0 HD23 LEU A 36 14.783 -7.116 -18.084 1.00 0.00 H new ATOM 618 N VAL A 37 17.194 -7.041 -13.238 1.00 0.00 N ATOM 619 CA VAL A 37 17.033 -7.188 -11.796 1.00 0.00 C ATOM 620 C VAL A 37 18.229 -6.609 -11.048 1.00 0.00 C ATOM 621 O VAL A 37 18.083 -5.702 -10.230 1.00 0.00 O ATOM 622 CB VAL A 37 16.859 -8.665 -11.398 1.00 0.00 C ATOM 623 CG1 VAL A 37 16.909 -8.821 -9.886 1.00 0.00 C ATOM 624 CG2 VAL A 37 15.556 -9.217 -11.957 1.00 0.00 C ATOM 0 H VAL A 37 17.347 -7.918 -13.737 1.00 0.00 H new ATOM 0 HA VAL A 37 16.134 -6.637 -11.520 1.00 0.00 H new ATOM 0 HB VAL A 37 17.682 -9.238 -11.825 1.00 0.00 H new ATOM 0 HG11 VAL A 37 16.784 -9.872 -9.624 1.00 0.00 H new ATOM 0 HG12 VAL A 37 17.871 -8.466 -9.515 1.00 0.00 H new ATOM 0 HG13 VAL A 37 16.108 -8.237 -9.433 1.00 0.00 H new ATOM 0 HG21 VAL A 37 15.449 -10.262 -11.666 1.00 0.00 H new ATOM 0 HG22 VAL A 37 14.718 -8.643 -11.562 1.00 0.00 H new ATOM 0 HG23 VAL A 37 15.566 -9.142 -13.044 1.00 0.00 H new ATOM 634 N ASN A 38 19.413 -7.139 -11.336 1.00 0.00 N ATOM 635 CA ASN A 38 20.636 -6.675 -10.690 1.00 0.00 C ATOM 636 C ASN A 38 21.567 -6.013 -11.701 1.00 0.00 C ATOM 637 O ASN A 38 22.078 -4.918 -11.465 1.00 0.00 O ATOM 638 CB ASN A 38 21.352 -7.843 -10.009 1.00 0.00 C ATOM 639 CG ASN A 38 20.408 -8.978 -9.664 1.00 0.00 C ATOM 640 OD1 ASN A 38 19.939 -9.088 -8.531 1.00 0.00 O ATOM 641 ND2 ASN A 38 20.126 -9.831 -10.642 1.00 0.00 N ATOM 0 H ASN A 38 19.552 -7.890 -12.012 1.00 0.00 H new ATOM 0 HA ASN A 38 20.362 -5.936 -9.937 1.00 0.00 H new ATOM 0 HB2 ASN A 38 22.139 -8.215 -10.665 1.00 0.00 H new ATOM 0 HB3 ASN A 38 21.837 -7.488 -9.099 1.00 0.00 H new ATOM 0 HD21 ASN A 38 19.498 -10.616 -10.469 1.00 0.00 H new ATOM 0 HD22 ASN A 38 20.537 -9.701 -11.566 1.00 0.00 H new ATOM 648 N SER A 39 21.783 -6.685 -12.827 1.00 0.00 N ATOM 649 CA SER A 39 22.655 -6.163 -13.873 1.00 0.00 C ATOM 650 C SER A 39 22.073 -4.892 -14.482 1.00 0.00 C ATOM 651 O SER A 39 20.907 -4.562 -14.264 1.00 0.00 O ATOM 652 CB SER A 39 22.864 -7.216 -14.964 1.00 0.00 C ATOM 653 OG SER A 39 24.206 -7.217 -15.421 1.00 0.00 O ATOM 0 H SER A 39 21.366 -7.592 -13.038 1.00 0.00 H new ATOM 0 HA SER A 39 23.617 -5.921 -13.422 1.00 0.00 H new ATOM 0 HB2 SER A 39 22.608 -8.202 -14.576 1.00 0.00 H new ATOM 0 HB3 SER A 39 22.192 -7.017 -15.799 1.00 0.00 H new ATOM 0 HG SER A 39 24.314 -7.899 -16.116 1.00 0.00 H new ATOM 659 N THR A 40 22.894 -4.180 -15.249 1.00 0.00 N ATOM 660 CA THR A 40 22.462 -2.944 -15.889 1.00 0.00 C ATOM 661 C THR A 40 21.646 -3.231 -17.144 1.00 0.00 C ATOM 662 O THR A 40 22.195 -3.366 -18.238 1.00 0.00 O ATOM 663 CB THR A 40 23.664 -2.057 -16.265 1.00 0.00 C ATOM 664 OG1 THR A 40 24.331 -1.608 -15.080 1.00 0.00 O ATOM 665 CG2 THR A 40 23.216 -0.857 -17.086 1.00 0.00 C ATOM 0 H THR A 40 23.862 -4.439 -15.442 1.00 0.00 H new ATOM 0 HA THR A 40 21.840 -2.415 -15.167 1.00 0.00 H new ATOM 0 HB THR A 40 24.352 -2.652 -16.866 1.00 0.00 H new ATOM 0 HG1 THR A 40 25.095 -1.046 -15.328 1.00 0.00 H new ATOM 0 HG21 THR A 40 24.082 -0.246 -17.339 1.00 0.00 H new ATOM 0 HG22 THR A 40 22.735 -1.202 -18.001 1.00 0.00 H new ATOM 0 HG23 THR A 40 22.510 -0.263 -16.506 1.00 0.00 H new ATOM 673 N LEU A 41 20.331 -3.324 -16.980 1.00 0.00 N ATOM 674 CA LEU A 41 19.437 -3.594 -18.100 1.00 0.00 C ATOM 675 C LEU A 41 18.168 -2.754 -18.000 1.00 0.00 C ATOM 676 O LEU A 41 17.778 -2.325 -16.913 1.00 0.00 O ATOM 677 CB LEU A 41 19.076 -5.080 -18.143 1.00 0.00 C ATOM 678 CG LEU A 41 19.853 -5.931 -19.148 1.00 0.00 C ATOM 679 CD1 LEU A 41 20.994 -6.663 -18.459 1.00 0.00 C ATOM 680 CD2 LEU A 41 18.925 -6.918 -19.842 1.00 0.00 C ATOM 0 H LEU A 41 19.860 -3.216 -16.082 1.00 0.00 H new ATOM 0 HA LEU A 41 19.957 -3.325 -19.020 1.00 0.00 H new ATOM 0 HB2 LEU A 41 19.228 -5.499 -17.148 1.00 0.00 H new ATOM 0 HB3 LEU A 41 18.013 -5.169 -18.367 1.00 0.00 H new ATOM 0 HG LEU A 41 20.277 -5.269 -19.903 1.00 0.00 H new ATOM 0 HD11 LEU A 41 21.535 -7.263 -19.190 1.00 0.00 H new ATOM 0 HD12 LEU A 41 21.673 -5.938 -18.010 1.00 0.00 H new ATOM 0 HD13 LEU A 41 20.592 -7.313 -17.682 1.00 0.00 H new ATOM 0 HD21 LEU A 41 19.495 -7.515 -20.554 1.00 0.00 H new ATOM 0 HD22 LEU A 41 18.471 -7.574 -19.100 1.00 0.00 H new ATOM 0 HD23 LEU A 41 18.143 -6.372 -20.371 1.00 0.00 H new ATOM 692 N THR A 42 17.525 -2.524 -19.141 1.00 0.00 N ATOM 693 CA THR A 42 16.299 -1.736 -19.182 1.00 0.00 C ATOM 694 C THR A 42 15.144 -2.546 -19.758 1.00 0.00 C ATOM 695 O THR A 42 15.356 -3.510 -20.494 1.00 0.00 O ATOM 696 CB THR A 42 16.482 -0.456 -20.019 1.00 0.00 C ATOM 697 OG1 THR A 42 15.247 0.266 -20.086 1.00 0.00 O ATOM 698 CG2 THR A 42 16.955 -0.792 -21.425 1.00 0.00 C ATOM 0 H THR A 42 17.833 -2.872 -20.049 1.00 0.00 H new ATOM 0 HA THR A 42 16.067 -1.459 -18.154 1.00 0.00 H new ATOM 0 HB THR A 42 17.239 0.162 -19.536 1.00 0.00 H new ATOM 0 HG1 THR A 42 15.372 1.079 -20.618 1.00 0.00 H new ATOM 0 HG21 THR A 42 17.077 0.128 -21.997 1.00 0.00 H new ATOM 0 HG22 THR A 42 17.909 -1.316 -21.372 1.00 0.00 H new ATOM 0 HG23 THR A 42 16.218 -1.429 -21.914 1.00 0.00 H new ATOM 706 N ILE A 43 13.922 -2.149 -19.420 1.00 0.00 N ATOM 707 CA ILE A 43 12.733 -2.838 -19.906 1.00 0.00 C ATOM 708 C ILE A 43 12.796 -3.045 -21.415 1.00 0.00 C ATOM 709 O ILE A 43 12.592 -4.154 -21.908 1.00 0.00 O ATOM 710 CB ILE A 43 11.450 -2.060 -19.559 1.00 0.00 C ATOM 711 CG1 ILE A 43 11.345 -1.855 -18.046 1.00 0.00 C ATOM 712 CG2 ILE A 43 10.226 -2.795 -20.085 1.00 0.00 C ATOM 713 CD1 ILE A 43 10.711 -3.022 -17.321 1.00 0.00 C ATOM 0 H ILE A 43 13.729 -1.354 -18.811 1.00 0.00 H new ATOM 0 HA ILE A 43 12.705 -3.808 -19.409 1.00 0.00 H new ATOM 0 HB ILE A 43 11.496 -1.082 -20.037 1.00 0.00 H new ATOM 0 HG12 ILE A 43 12.342 -1.684 -17.641 1.00 0.00 H new ATOM 0 HG13 ILE A 43 10.762 -0.955 -17.849 1.00 0.00 H new ATOM 0 HG21 ILE A 43 9.327 -2.233 -19.832 1.00 0.00 H new ATOM 0 HG22 ILE A 43 10.299 -2.894 -21.168 1.00 0.00 H new ATOM 0 HG23 ILE A 43 10.174 -3.785 -19.632 1.00 0.00 H new ATOM 0 HD11 ILE A 43 10.669 -2.808 -16.253 1.00 0.00 H new ATOM 0 HD12 ILE A 43 9.701 -3.180 -17.699 1.00 0.00 H new ATOM 0 HD13 ILE A 43 11.306 -3.920 -17.488 1.00 0.00 H new ATOM 725 N GLU A 44 13.082 -1.970 -22.143 1.00 0.00 N ATOM 726 CA GLU A 44 13.173 -2.035 -23.597 1.00 0.00 C ATOM 727 C GLU A 44 14.102 -3.165 -24.034 1.00 0.00 C ATOM 728 O GLU A 44 13.703 -4.053 -24.787 1.00 0.00 O ATOM 729 CB GLU A 44 13.674 -0.703 -24.159 1.00 0.00 C ATOM 730 CG GLU A 44 13.409 -0.531 -25.645 1.00 0.00 C ATOM 731 CD GLU A 44 14.127 0.669 -26.231 1.00 0.00 C ATOM 732 OE1 GLU A 44 15.376 0.670 -26.231 1.00 0.00 O ATOM 733 OE2 GLU A 44 13.441 1.607 -26.688 1.00 0.00 O ATOM 0 H GLU A 44 13.254 -1.045 -21.750 1.00 0.00 H new ATOM 0 HA GLU A 44 12.176 -2.235 -23.989 1.00 0.00 H new ATOM 0 HB2 GLU A 44 13.197 0.113 -23.617 1.00 0.00 H new ATOM 0 HB3 GLU A 44 14.746 -0.622 -23.978 1.00 0.00 H new ATOM 0 HG2 GLU A 44 13.724 -1.431 -26.173 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.337 -0.424 -25.809 1.00 0.00 H new ATOM 740 N GLU A 45 15.341 -3.123 -23.556 1.00 0.00 N ATOM 741 CA GLU A 45 16.326 -4.142 -23.898 1.00 0.00 C ATOM 742 C GLU A 45 15.828 -5.532 -23.512 1.00 0.00 C ATOM 743 O GLU A 45 15.977 -6.490 -24.271 1.00 0.00 O ATOM 744 CB GLU A 45 17.657 -3.852 -23.199 1.00 0.00 C ATOM 745 CG GLU A 45 18.710 -4.924 -23.428 1.00 0.00 C ATOM 746 CD GLU A 45 19.596 -4.626 -24.621 1.00 0.00 C ATOM 747 OE1 GLU A 45 19.074 -4.594 -25.755 1.00 0.00 O ATOM 748 OE2 GLU A 45 20.812 -4.424 -24.421 1.00 0.00 O ATOM 0 H GLU A 45 15.687 -2.395 -22.931 1.00 0.00 H new ATOM 0 HA GLU A 45 16.478 -4.116 -24.977 1.00 0.00 H new ATOM 0 HB2 GLU A 45 18.042 -2.895 -23.551 1.00 0.00 H new ATOM 0 HB3 GLU A 45 17.481 -3.750 -22.128 1.00 0.00 H new ATOM 0 HG2 GLU A 45 19.328 -5.017 -22.535 1.00 0.00 H new ATOM 0 HG3 GLU A 45 18.218 -5.885 -23.577 1.00 0.00 H new ATOM 755 N PHE A 46 15.237 -5.633 -22.327 1.00 0.00 N ATOM 756 CA PHE A 46 14.718 -6.906 -21.838 1.00 0.00 C ATOM 757 C PHE A 46 13.528 -7.366 -22.676 1.00 0.00 C ATOM 758 O PHE A 46 13.175 -8.545 -22.678 1.00 0.00 O ATOM 759 CB PHE A 46 14.304 -6.782 -20.370 1.00 0.00 C ATOM 760 CG PHE A 46 13.007 -7.470 -20.053 1.00 0.00 C ATOM 761 CD1 PHE A 46 11.802 -6.795 -20.174 1.00 0.00 C ATOM 762 CD2 PHE A 46 12.992 -8.790 -19.634 1.00 0.00 C ATOM 763 CE1 PHE A 46 10.608 -7.426 -19.882 1.00 0.00 C ATOM 764 CE2 PHE A 46 11.800 -9.426 -19.341 1.00 0.00 C ATOM 765 CZ PHE A 46 10.606 -8.743 -19.466 1.00 0.00 C ATOM 0 H PHE A 46 15.105 -4.850 -21.687 1.00 0.00 H new ATOM 0 HA PHE A 46 15.510 -7.650 -21.924 1.00 0.00 H new ATOM 0 HB2 PHE A 46 15.091 -7.200 -19.742 1.00 0.00 H new ATOM 0 HB3 PHE A 46 14.218 -5.726 -20.113 1.00 0.00 H new ATOM 0 HD1 PHE A 46 11.797 -5.765 -20.500 1.00 0.00 H new ATOM 0 HD2 PHE A 46 13.923 -9.329 -19.535 1.00 0.00 H new ATOM 0 HE1 PHE A 46 9.676 -6.889 -19.979 1.00 0.00 H new ATOM 0 HE2 PHE A 46 11.802 -10.456 -19.015 1.00 0.00 H new ATOM 0 HZ PHE A 46 9.673 -9.238 -19.239 1.00 0.00 H new ATOM 775 N HIS A 47 12.915 -6.426 -23.388 1.00 0.00 N ATOM 776 CA HIS A 47 11.765 -6.734 -24.231 1.00 0.00 C ATOM 777 C HIS A 47 12.208 -7.078 -25.650 1.00 0.00 C ATOM 778 O HIS A 47 11.462 -7.695 -26.411 1.00 0.00 O ATOM 779 CB HIS A 47 10.796 -5.551 -24.260 1.00 0.00 C ATOM 780 CG HIS A 47 10.113 -5.369 -25.581 1.00 0.00 C ATOM 781 ND1 HIS A 47 8.861 -5.877 -25.857 1.00 0.00 N ATOM 782 CD2 HIS A 47 10.513 -4.728 -26.703 1.00 0.00 C ATOM 783 CE1 HIS A 47 8.522 -5.558 -27.093 1.00 0.00 C ATOM 784 NE2 HIS A 47 9.507 -4.860 -27.629 1.00 0.00 N ATOM 0 H HIS A 47 13.195 -5.445 -23.398 1.00 0.00 H new ATOM 0 HA HIS A 47 11.257 -7.600 -23.808 1.00 0.00 H new ATOM 0 HB2 HIS A 47 10.041 -5.691 -23.486 1.00 0.00 H new ATOM 0 HB3 HIS A 47 11.341 -4.640 -24.013 1.00 0.00 H new ATOM 0 HD2 HIS A 47 11.449 -4.209 -26.844 1.00 0.00 H new ATOM 0 HE1 HIS A 47 7.596 -5.823 -27.582 1.00 0.00 H new ATOM 0 HE2 HIS A 47 9.519 -4.481 -28.576 1.00 0.00 H new ATOM 792 N SER A 48 13.426 -6.676 -25.999 1.00 0.00 N ATOM 793 CA SER A 48 13.966 -6.938 -27.327 1.00 0.00 C ATOM 794 C SER A 48 14.388 -8.398 -27.464 1.00 0.00 C ATOM 795 O SER A 48 13.736 -9.184 -28.151 1.00 0.00 O ATOM 796 CB SER A 48 15.159 -6.022 -27.606 1.00 0.00 C ATOM 797 OG SER A 48 16.097 -6.651 -28.462 1.00 0.00 O ATOM 0 H SER A 48 14.057 -6.167 -25.380 1.00 0.00 H new ATOM 0 HA SER A 48 13.183 -6.734 -28.057 1.00 0.00 H new ATOM 0 HB2 SER A 48 14.811 -5.095 -28.062 1.00 0.00 H new ATOM 0 HB3 SER A 48 15.642 -5.753 -26.667 1.00 0.00 H new ATOM 0 HG SER A 48 16.849 -6.044 -28.626 1.00 0.00 H new ATOM 803 N LYS A 49 15.485 -8.754 -26.803 1.00 0.00 N ATOM 804 CA LYS A 49 15.996 -10.119 -26.848 1.00 0.00 C ATOM 805 C LYS A 49 14.879 -11.127 -26.599 1.00 0.00 C ATOM 806 O LYS A 49 14.768 -12.133 -27.300 1.00 0.00 O ATOM 807 CB LYS A 49 17.105 -10.304 -25.809 1.00 0.00 C ATOM 808 CG LYS A 49 18.502 -10.306 -26.406 1.00 0.00 C ATOM 809 CD LYS A 49 19.188 -8.963 -26.223 1.00 0.00 C ATOM 810 CE LYS A 49 19.855 -8.858 -24.860 1.00 0.00 C ATOM 811 NZ LYS A 49 21.335 -9.001 -24.954 1.00 0.00 N ATOM 0 H LYS A 49 16.037 -8.116 -26.230 1.00 0.00 H new ATOM 0 HA LYS A 49 16.405 -10.295 -27.843 1.00 0.00 H new ATOM 0 HB2 LYS A 49 17.036 -9.506 -25.070 1.00 0.00 H new ATOM 0 HB3 LYS A 49 16.943 -11.243 -25.280 1.00 0.00 H new ATOM 0 HG2 LYS A 49 19.099 -11.088 -25.936 1.00 0.00 H new ATOM 0 HG3 LYS A 49 18.445 -10.545 -27.468 1.00 0.00 H new ATOM 0 HD2 LYS A 49 19.934 -8.825 -27.006 1.00 0.00 H new ATOM 0 HD3 LYS A 49 18.457 -8.162 -26.334 1.00 0.00 H new ATOM 0 HE2 LYS A 49 19.611 -7.896 -24.409 1.00 0.00 H new ATOM 0 HE3 LYS A 49 19.457 -9.629 -24.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 21.752 -8.924 -24.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 21.569 -9.929 -25.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 21.718 -8.250 -25.563 1.00 0.00 H new ATOM 825 N LEU A 50 14.051 -10.850 -25.597 1.00 0.00 N ATOM 826 CA LEU A 50 12.941 -11.732 -25.256 1.00 0.00 C ATOM 827 C LEU A 50 11.986 -11.887 -26.436 1.00 0.00 C ATOM 828 O LEU A 50 11.558 -12.994 -26.759 1.00 0.00 O ATOM 829 CB LEU A 50 12.185 -11.189 -24.042 1.00 0.00 C ATOM 830 CG LEU A 50 11.680 -12.231 -23.044 1.00 0.00 C ATOM 831 CD1 LEU A 50 11.591 -11.634 -21.648 1.00 0.00 C ATOM 832 CD2 LEU A 50 10.328 -12.775 -23.480 1.00 0.00 C ATOM 0 H LEU A 50 14.128 -10.022 -25.007 1.00 0.00 H new ATOM 0 HA LEU A 50 13.351 -12.712 -25.012 1.00 0.00 H new ATOM 0 HB2 LEU A 50 12.838 -10.495 -23.513 1.00 0.00 H new ATOM 0 HB3 LEU A 50 11.331 -10.613 -24.399 1.00 0.00 H new ATOM 0 HG LEU A 50 12.391 -13.057 -23.019 1.00 0.00 H new ATOM 0 HD11 LEU A 50 11.230 -12.390 -20.951 1.00 0.00 H new ATOM 0 HD12 LEU A 50 12.578 -11.293 -21.334 1.00 0.00 H new ATOM 0 HD13 LEU A 50 10.902 -10.790 -21.657 1.00 0.00 H new ATOM 0 HD21 LEU A 50 9.984 -13.515 -22.758 1.00 0.00 H new ATOM 0 HD22 LEU A 50 9.608 -11.959 -23.534 1.00 0.00 H new ATOM 0 HD23 LEU A 50 10.422 -13.241 -24.461 1.00 0.00 H new ATOM 844 N GLN A 51 11.659 -10.769 -27.076 1.00 0.00 N ATOM 845 CA GLN A 51 10.756 -10.781 -28.221 1.00 0.00 C ATOM 846 C GLN A 51 11.251 -11.745 -29.294 1.00 0.00 C ATOM 847 O GLN A 51 10.460 -12.451 -29.918 1.00 0.00 O ATOM 848 CB GLN A 51 10.621 -9.374 -28.805 1.00 0.00 C ATOM 849 CG GLN A 51 9.897 -9.337 -30.141 1.00 0.00 C ATOM 850 CD GLN A 51 8.702 -10.270 -30.184 1.00 0.00 C ATOM 851 OE1 GLN A 51 8.013 -10.460 -29.181 1.00 0.00 O ATOM 852 NE2 GLN A 51 8.451 -10.857 -31.348 1.00 0.00 N ATOM 0 H GLN A 51 12.006 -9.844 -26.821 1.00 0.00 H new ATOM 0 HA GLN A 51 9.778 -11.119 -27.878 1.00 0.00 H new ATOM 0 HB2 GLN A 51 10.086 -8.744 -28.094 1.00 0.00 H new ATOM 0 HB3 GLN A 51 11.615 -8.944 -28.928 1.00 0.00 H new ATOM 0 HG2 GLN A 51 9.565 -8.318 -30.342 1.00 0.00 H new ATOM 0 HG3 GLN A 51 10.593 -9.608 -30.935 1.00 0.00 H new ATOM 0 HE21 GLN A 51 9.049 -10.670 -32.153 1.00 0.00 H new ATOM 0 HE22 GLN A 51 7.660 -11.495 -31.437 1.00 0.00 H new ATOM 861 N GLU A 52 12.563 -11.768 -29.502 1.00 0.00 N ATOM 862 CA GLU A 52 13.162 -12.645 -30.501 1.00 0.00 C ATOM 863 C GLU A 52 13.591 -13.969 -29.875 1.00 0.00 C ATOM 864 O GLU A 52 14.068 -14.869 -30.566 1.00 0.00 O ATOM 865 CB GLU A 52 14.367 -11.964 -31.154 1.00 0.00 C ATOM 866 CG GLU A 52 15.500 -11.670 -30.184 1.00 0.00 C ATOM 867 CD GLU A 52 16.791 -11.305 -30.890 1.00 0.00 C ATOM 868 OE1 GLU A 52 17.280 -12.126 -31.694 1.00 0.00 O ATOM 869 OE2 GLU A 52 17.314 -10.200 -30.637 1.00 0.00 O ATOM 0 H GLU A 52 13.231 -11.190 -28.993 1.00 0.00 H new ATOM 0 HA GLU A 52 12.411 -12.849 -31.264 1.00 0.00 H new ATOM 0 HB2 GLU A 52 14.742 -12.600 -31.956 1.00 0.00 H new ATOM 0 HB3 GLU A 52 14.041 -11.030 -31.613 1.00 0.00 H new ATOM 0 HG2 GLU A 52 15.207 -10.853 -29.525 1.00 0.00 H new ATOM 0 HG3 GLU A 52 15.669 -12.543 -29.553 1.00 0.00 H new ATOM 876 N ALA A 53 13.417 -14.081 -28.562 1.00 0.00 N ATOM 877 CA ALA A 53 13.783 -15.294 -27.843 1.00 0.00 C ATOM 878 C ALA A 53 12.596 -16.244 -27.729 1.00 0.00 C ATOM 879 O ALA A 53 12.720 -17.444 -27.979 1.00 0.00 O ATOM 880 CB ALA A 53 14.320 -14.948 -26.462 1.00 0.00 C ATOM 0 H ALA A 53 13.024 -13.345 -27.975 1.00 0.00 H new ATOM 0 HA ALA A 53 14.566 -15.799 -28.408 1.00 0.00 H new ATOM 0 HB1 ALA A 53 14.589 -15.864 -25.936 1.00 0.00 H new ATOM 0 HB2 ALA A 53 15.201 -14.315 -26.563 1.00 0.00 H new ATOM 0 HB3 ALA A 53 13.554 -14.417 -25.896 1.00 0.00 H new ATOM 886 N THR A 54 11.444 -15.701 -27.348 1.00 0.00 N ATOM 887 CA THR A 54 10.235 -16.500 -27.198 1.00 0.00 C ATOM 888 C THR A 54 9.473 -16.597 -28.515 1.00 0.00 C ATOM 889 O THR A 54 9.253 -15.593 -29.190 1.00 0.00 O ATOM 890 CB THR A 54 9.303 -15.913 -26.121 1.00 0.00 C ATOM 891 OG1 THR A 54 8.726 -14.688 -26.587 1.00 0.00 O ATOM 892 CG2 THR A 54 10.062 -15.662 -24.827 1.00 0.00 C ATOM 0 H THR A 54 11.323 -14.710 -27.138 1.00 0.00 H new ATOM 0 HA THR A 54 10.551 -17.497 -26.890 1.00 0.00 H new ATOM 0 HB THR A 54 8.511 -16.635 -25.925 1.00 0.00 H new ATOM 0 HG1 THR A 54 9.432 -14.019 -26.707 1.00 0.00 H new ATOM 0 HG21 THR A 54 9.383 -15.248 -24.082 1.00 0.00 H new ATOM 0 HG22 THR A 54 10.475 -16.601 -24.459 1.00 0.00 H new ATOM 0 HG23 THR A 54 10.873 -14.957 -25.011 1.00 0.00 H new ATOM 900 N ASN A 55 9.072 -17.812 -28.873 1.00 0.00 N ATOM 901 CA ASN A 55 8.334 -18.040 -30.110 1.00 0.00 C ATOM 902 C ASN A 55 7.052 -17.213 -30.139 1.00 0.00 C ATOM 903 O ASN A 55 6.784 -16.432 -29.225 1.00 0.00 O ATOM 904 CB ASN A 55 8.000 -19.525 -30.264 1.00 0.00 C ATOM 905 CG ASN A 55 7.289 -20.087 -29.047 1.00 0.00 C ATOM 906 OD1 ASN A 55 6.420 -19.436 -28.467 1.00 0.00 O ATOM 907 ND2 ASN A 55 7.658 -21.301 -28.655 1.00 0.00 N ATOM 0 H ASN A 55 9.246 -18.654 -28.324 1.00 0.00 H new ATOM 0 HA ASN A 55 8.965 -17.729 -30.942 1.00 0.00 H new ATOM 0 HB2 ASN A 55 7.373 -19.664 -31.144 1.00 0.00 H new ATOM 0 HB3 ASN A 55 8.919 -20.085 -30.436 1.00 0.00 H new ATOM 0 HD21 ASN A 55 7.216 -21.731 -27.842 1.00 0.00 H new ATOM 0 HD22 ASN A 55 8.383 -21.804 -29.167 1.00 0.00 H new ATOM 914 N PHE A 56 6.262 -17.392 -31.193 1.00 0.00 N ATOM 915 CA PHE A 56 5.008 -16.662 -31.341 1.00 0.00 C ATOM 916 C PHE A 56 5.255 -15.157 -31.375 1.00 0.00 C ATOM 917 O PHE A 56 6.343 -14.673 -31.061 1.00 0.00 O ATOM 918 CB PHE A 56 4.054 -17.008 -30.195 1.00 0.00 C ATOM 919 CG PHE A 56 2.975 -17.977 -30.585 1.00 0.00 C ATOM 920 CD1 PHE A 56 3.280 -19.120 -31.307 1.00 0.00 C ATOM 921 CD2 PHE A 56 1.656 -17.744 -30.231 1.00 0.00 C ATOM 922 CE1 PHE A 56 2.289 -20.014 -31.667 1.00 0.00 C ATOM 923 CE2 PHE A 56 0.661 -18.635 -30.588 1.00 0.00 C ATOM 924 CZ PHE A 56 0.978 -19.771 -31.308 1.00 0.00 C ATOM 0 H PHE A 56 6.468 -18.036 -31.957 1.00 0.00 H new ATOM 0 HA PHE A 56 4.553 -16.959 -32.286 1.00 0.00 H new ATOM 0 HB2 PHE A 56 4.628 -17.429 -29.370 1.00 0.00 H new ATOM 0 HB3 PHE A 56 3.593 -16.091 -29.828 1.00 0.00 H new ATOM 0 HD1 PHE A 56 4.304 -19.314 -31.592 1.00 0.00 H new ATOM 0 HD2 PHE A 56 1.402 -16.857 -29.670 1.00 0.00 H new ATOM 0 HE1 PHE A 56 2.540 -20.902 -32.229 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -0.363 -18.443 -30.304 1.00 0.00 H new ATOM 0 HZ PHE A 56 0.202 -20.467 -31.589 1.00 0.00 H new ATOM 934 N PRO A 57 4.222 -14.397 -31.767 1.00 0.00 N ATOM 935 CA PRO A 57 4.301 -12.936 -31.853 1.00 0.00 C ATOM 936 C PRO A 57 4.390 -12.279 -30.480 1.00 0.00 C ATOM 937 O PRO A 57 4.159 -12.924 -29.456 1.00 0.00 O ATOM 938 CB PRO A 57 2.992 -12.550 -32.547 1.00 0.00 C ATOM 939 CG PRO A 57 2.054 -13.663 -32.232 1.00 0.00 C ATOM 940 CD PRO A 57 2.896 -14.906 -32.157 1.00 0.00 C ATOM 0 HA PRO A 57 5.194 -12.607 -32.384 1.00 0.00 H new ATOM 0 HB2 PRO A 57 2.614 -11.597 -32.177 1.00 0.00 H new ATOM 0 HB3 PRO A 57 3.131 -12.442 -33.623 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.538 -13.484 -31.289 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.288 -13.757 -33.001 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.505 -15.612 -31.424 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.931 -15.426 -33.114 1.00 0.00 H new ATOM 948 N LEU A 58 4.724 -10.994 -30.465 1.00 0.00 N ATOM 949 CA LEU A 58 4.843 -10.248 -29.216 1.00 0.00 C ATOM 950 C LEU A 58 3.682 -10.566 -28.280 1.00 0.00 C ATOM 951 O LEU A 58 2.523 -10.582 -28.696 1.00 0.00 O ATOM 952 CB LEU A 58 4.889 -8.746 -29.499 1.00 0.00 C ATOM 953 CG LEU A 58 5.299 -7.855 -28.326 1.00 0.00 C ATOM 954 CD1 LEU A 58 6.688 -8.228 -27.832 1.00 0.00 C ATOM 955 CD2 LEU A 58 5.251 -6.388 -28.728 1.00 0.00 C ATOM 0 H LEU A 58 4.917 -10.446 -31.303 1.00 0.00 H new ATOM 0 HA LEU A 58 5.771 -10.548 -28.729 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.583 -8.572 -30.321 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.904 -8.431 -29.842 1.00 0.00 H new ATOM 0 HG LEU A 58 4.592 -8.012 -27.512 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.963 -7.583 -26.997 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.690 -9.267 -27.504 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.408 -8.101 -28.640 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.546 -5.769 -27.881 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.935 -6.216 -29.559 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.237 -6.127 -29.033 1.00 0.00 H new ATOM 967 N ARG A 59 4.000 -10.816 -27.014 1.00 0.00 N ATOM 968 CA ARG A 59 2.983 -11.131 -26.018 1.00 0.00 C ATOM 969 C ARG A 59 2.250 -9.870 -25.571 1.00 0.00 C ATOM 970 O ARG A 59 2.734 -8.750 -25.736 1.00 0.00 O ATOM 971 CB ARG A 59 3.619 -11.821 -24.810 1.00 0.00 C ATOM 972 CG ARG A 59 4.944 -11.209 -24.387 1.00 0.00 C ATOM 973 CD ARG A 59 4.987 -10.952 -22.889 1.00 0.00 C ATOM 974 NE ARG A 59 6.233 -11.420 -22.288 1.00 0.00 N ATOM 975 CZ ARG A 59 6.539 -12.703 -22.136 1.00 0.00 C ATOM 976 NH1 ARG A 59 5.694 -13.642 -22.539 1.00 0.00 N ATOM 977 NH2 ARG A 59 7.693 -13.050 -21.580 1.00 0.00 N ATOM 0 H ARG A 59 4.954 -10.806 -26.654 1.00 0.00 H new ATOM 0 HA ARG A 59 2.260 -11.807 -26.475 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.925 -11.779 -23.971 1.00 0.00 H new ATOM 0 HB3 ARG A 59 3.773 -12.874 -25.043 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.760 -11.876 -24.666 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.101 -10.273 -24.922 1.00 0.00 H new ATOM 0 HD2 ARG A 59 4.873 -9.884 -22.701 1.00 0.00 H new ATOM 0 HD3 ARG A 59 4.144 -11.452 -22.411 1.00 0.00 H new ATOM 0 HE ARG A 59 6.905 -10.723 -21.967 1.00 0.00 H new ATOM 0 HH11 ARG A 59 4.806 -13.379 -22.967 1.00 0.00 H new ATOM 0 HH12 ARG A 59 5.932 -14.627 -22.421 1.00 0.00 H new ATOM 0 HH21 ARG A 59 8.346 -12.331 -21.269 1.00 0.00 H new ATOM 0 HH22 ARG A 59 7.927 -14.036 -21.464 1.00 0.00 H new ATOM 991 N PRO A 60 1.055 -10.054 -24.991 1.00 0.00 N ATOM 992 CA PRO A 60 0.230 -8.943 -24.508 1.00 0.00 C ATOM 993 C PRO A 60 0.831 -8.266 -23.281 1.00 0.00 C ATOM 994 O PRO A 60 1.027 -8.899 -22.243 1.00 0.00 O ATOM 995 CB PRO A 60 -1.098 -9.615 -24.151 1.00 0.00 C ATOM 996 CG PRO A 60 -0.738 -11.031 -23.857 1.00 0.00 C ATOM 997 CD PRO A 60 0.417 -11.361 -24.762 1.00 0.00 C ATOM 0 HA PRO A 60 0.136 -8.152 -25.252 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -1.564 -9.138 -23.289 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -1.809 -9.550 -24.975 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -0.461 -11.154 -22.810 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -1.582 -11.695 -24.043 1.00 0.00 H new ATOM 0 HD2 PRO A 60 1.104 -12.067 -24.296 1.00 0.00 H new ATOM 0 HD3 PRO A 60 0.080 -11.813 -25.695 1.00 0.00 H new ATOM 1005 N PHE A 61 1.120 -6.975 -23.405 1.00 0.00 N ATOM 1006 CA PHE A 61 1.699 -6.211 -22.306 1.00 0.00 C ATOM 1007 C PHE A 61 3.080 -6.748 -21.939 1.00 0.00 C ATOM 1008 O PHE A 61 3.236 -7.474 -20.957 1.00 0.00 O ATOM 1009 CB PHE A 61 0.780 -6.260 -21.083 1.00 0.00 C ATOM 1010 CG PHE A 61 -0.659 -5.971 -21.404 1.00 0.00 C ATOM 1011 CD1 PHE A 61 -1.052 -4.705 -21.808 1.00 0.00 C ATOM 1012 CD2 PHE A 61 -1.619 -6.965 -21.299 1.00 0.00 C ATOM 1013 CE1 PHE A 61 -2.375 -4.436 -22.104 1.00 0.00 C ATOM 1014 CE2 PHE A 61 -2.943 -6.701 -21.594 1.00 0.00 C ATOM 1015 CZ PHE A 61 -3.322 -5.435 -21.996 1.00 0.00 C ATOM 0 H PHE A 61 0.963 -6.435 -24.256 1.00 0.00 H new ATOM 0 HA PHE A 61 1.805 -5.176 -22.632 1.00 0.00 H new ATOM 0 HB2 PHE A 61 0.851 -7.246 -20.624 1.00 0.00 H new ATOM 0 HB3 PHE A 61 1.131 -5.539 -20.345 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -0.316 -3.919 -21.893 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -1.329 -7.956 -20.983 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.668 -3.445 -22.419 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -3.681 -7.485 -21.510 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.357 -5.227 -22.225 1.00 0.00 H new ATOM 1025 N VAL A 62 4.080 -6.385 -22.736 1.00 0.00 N ATOM 1026 CA VAL A 62 5.448 -6.828 -22.497 1.00 0.00 C ATOM 1027 C VAL A 62 6.239 -5.777 -21.726 1.00 0.00 C ATOM 1028 O VAL A 62 6.754 -6.046 -20.640 1.00 0.00 O ATOM 1029 CB VAL A 62 6.177 -7.137 -23.818 1.00 0.00 C ATOM 1030 CG1 VAL A 62 7.352 -8.071 -23.573 1.00 0.00 C ATOM 1031 CG2 VAL A 62 5.213 -7.734 -24.831 1.00 0.00 C ATOM 0 H VAL A 62 3.968 -5.785 -23.553 1.00 0.00 H new ATOM 0 HA VAL A 62 5.386 -7.740 -21.903 1.00 0.00 H new ATOM 0 HB VAL A 62 6.565 -6.204 -24.226 1.00 0.00 H new ATOM 0 HG11 VAL A 62 7.855 -8.278 -24.517 1.00 0.00 H new ATOM 0 HG12 VAL A 62 8.053 -7.600 -22.884 1.00 0.00 H new ATOM 0 HG13 VAL A 62 6.991 -9.005 -23.142 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.745 -7.946 -25.758 1.00 0.00 H new ATOM 0 HG22 VAL A 62 4.794 -8.658 -24.434 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.408 -7.026 -25.028 1.00 0.00 H new ATOM 1041 N ILE A 63 6.331 -4.580 -22.294 1.00 0.00 N ATOM 1042 CA ILE A 63 7.059 -3.488 -21.659 1.00 0.00 C ATOM 1043 C ILE A 63 6.466 -3.153 -20.294 1.00 0.00 C ATOM 1044 O ILE A 63 7.171 -3.066 -19.288 1.00 0.00 O ATOM 1045 CB ILE A 63 7.049 -2.221 -22.535 1.00 0.00 C ATOM 1046 CG1 ILE A 63 7.839 -2.459 -23.823 1.00 0.00 C ATOM 1047 CG2 ILE A 63 7.624 -1.041 -21.765 1.00 0.00 C ATOM 1048 CD1 ILE A 63 9.293 -2.803 -23.586 1.00 0.00 C ATOM 0 H ILE A 63 5.911 -4.341 -23.192 1.00 0.00 H new ATOM 0 HA ILE A 63 8.088 -3.825 -21.533 1.00 0.00 H new ATOM 0 HB ILE A 63 6.018 -1.989 -22.801 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.370 -3.268 -24.383 1.00 0.00 H new ATOM 0 HG13 ILE A 63 7.782 -1.565 -24.445 1.00 0.00 H new ATOM 0 HG21 ILE A 63 7.610 -0.153 -22.397 1.00 0.00 H new ATOM 0 HG22 ILE A 63 7.024 -0.861 -20.873 1.00 0.00 H new ATOM 0 HG23 ILE A 63 8.650 -1.263 -21.473 1.00 0.00 H new ATOM 0 HD11 ILE A 63 9.791 -2.958 -24.543 1.00 0.00 H new ATOM 0 HD12 ILE A 63 9.778 -1.985 -23.053 1.00 0.00 H new ATOM 0 HD13 ILE A 63 9.359 -3.714 -22.991 1.00 0.00 H new ATOM 1060 N PRO A 64 5.139 -2.962 -20.256 1.00 0.00 N ATOM 1061 CA PRO A 64 4.422 -2.637 -19.020 1.00 0.00 C ATOM 1062 C PRO A 64 4.380 -3.811 -18.047 1.00 0.00 C ATOM 1063 O PRO A 64 3.954 -3.665 -16.901 1.00 0.00 O ATOM 1064 CB PRO A 64 3.011 -2.296 -19.507 1.00 0.00 C ATOM 1065 CG PRO A 64 2.868 -3.032 -20.795 1.00 0.00 C ATOM 1066 CD PRO A 64 4.237 -3.051 -21.416 1.00 0.00 C ATOM 0 HA PRO A 64 4.905 -1.829 -18.470 1.00 0.00 H new ATOM 0 HB2 PRO A 64 2.256 -2.610 -18.786 1.00 0.00 H new ATOM 0 HB3 PRO A 64 2.890 -1.222 -19.649 1.00 0.00 H new ATOM 0 HG2 PRO A 64 2.502 -4.045 -20.627 1.00 0.00 H new ATOM 0 HG3 PRO A 64 2.150 -2.538 -21.449 1.00 0.00 H new ATOM 0 HD2 PRO A 64 4.406 -3.964 -21.988 1.00 0.00 H new ATOM 0 HD3 PRO A 64 4.379 -2.215 -22.101 1.00 0.00 H new ATOM 1074 N PHE A 65 4.825 -4.974 -18.511 1.00 0.00 N ATOM 1075 CA PHE A 65 4.838 -6.173 -17.682 1.00 0.00 C ATOM 1076 C PHE A 65 5.895 -6.065 -16.586 1.00 0.00 C ATOM 1077 O PHE A 65 5.571 -5.882 -15.412 1.00 0.00 O ATOM 1078 CB PHE A 65 5.103 -7.410 -18.542 1.00 0.00 C ATOM 1079 CG PHE A 65 4.143 -8.536 -18.285 1.00 0.00 C ATOM 1080 CD1 PHE A 65 2.778 -8.305 -18.248 1.00 0.00 C ATOM 1081 CD2 PHE A 65 4.606 -9.826 -18.081 1.00 0.00 C ATOM 1082 CE1 PHE A 65 1.892 -9.339 -18.010 1.00 0.00 C ATOM 1083 CE2 PHE A 65 3.725 -10.865 -17.843 1.00 0.00 C ATOM 1084 CZ PHE A 65 2.366 -10.621 -17.809 1.00 0.00 C ATOM 0 H PHE A 65 5.181 -5.111 -19.457 1.00 0.00 H new ATOM 0 HA PHE A 65 3.860 -6.270 -17.211 1.00 0.00 H new ATOM 0 HB2 PHE A 65 5.048 -7.130 -19.594 1.00 0.00 H new ATOM 0 HB3 PHE A 65 6.119 -7.760 -18.358 1.00 0.00 H new ATOM 0 HD1 PHE A 65 2.401 -7.305 -18.407 1.00 0.00 H new ATOM 0 HD2 PHE A 65 5.668 -10.022 -18.108 1.00 0.00 H new ATOM 0 HE1 PHE A 65 0.830 -9.145 -17.981 1.00 0.00 H new ATOM 0 HE2 PHE A 65 4.099 -11.866 -17.684 1.00 0.00 H new ATOM 0 HZ PHE A 65 1.675 -11.431 -17.626 1.00 0.00 H new ATOM 1094 N LEU A 66 7.159 -6.181 -16.978 1.00 0.00 N ATOM 1095 CA LEU A 66 8.264 -6.098 -16.031 1.00 0.00 C ATOM 1096 C LEU A 66 8.429 -4.673 -15.511 1.00 0.00 C ATOM 1097 O LEU A 66 9.113 -4.439 -14.514 1.00 0.00 O ATOM 1098 CB LEU A 66 9.563 -6.566 -16.689 1.00 0.00 C ATOM 1099 CG LEU A 66 10.028 -7.977 -16.327 1.00 0.00 C ATOM 1100 CD1 LEU A 66 10.377 -8.061 -14.849 1.00 0.00 C ATOM 1101 CD2 LEU A 66 8.959 -8.999 -16.684 1.00 0.00 C ATOM 0 H LEU A 66 7.444 -6.333 -17.946 1.00 0.00 H new ATOM 0 HA LEU A 66 8.036 -6.750 -15.187 1.00 0.00 H new ATOM 0 HB2 LEU A 66 9.439 -6.512 -17.771 1.00 0.00 H new ATOM 0 HB3 LEU A 66 10.354 -5.865 -16.424 1.00 0.00 H new ATOM 0 HG LEU A 66 10.925 -8.203 -16.904 1.00 0.00 H new ATOM 0 HD11 LEU A 66 10.706 -9.072 -14.610 1.00 0.00 H new ATOM 0 HD12 LEU A 66 11.177 -7.356 -14.624 1.00 0.00 H new ATOM 0 HD13 LEU A 66 9.498 -7.815 -14.253 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.307 -9.997 -16.419 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.045 -8.776 -16.134 1.00 0.00 H new ATOM 0 HD23 LEU A 66 8.758 -8.957 -17.755 1.00 0.00 H new ATOM 1113 N LYS A 67 7.797 -3.723 -16.191 1.00 0.00 N ATOM 1114 CA LYS A 67 7.870 -2.321 -15.798 1.00 0.00 C ATOM 1115 C LYS A 67 7.285 -2.117 -14.404 1.00 0.00 C ATOM 1116 O LYS A 67 7.748 -1.266 -13.645 1.00 0.00 O ATOM 1117 CB LYS A 67 7.124 -1.447 -16.808 1.00 0.00 C ATOM 1118 CG LYS A 67 8.040 -0.745 -17.797 1.00 0.00 C ATOM 1119 CD LYS A 67 8.678 0.491 -17.184 1.00 0.00 C ATOM 1120 CE LYS A 67 7.810 1.724 -17.384 1.00 0.00 C ATOM 1121 NZ LYS A 67 8.536 2.976 -17.032 1.00 0.00 N ATOM 0 H LYS A 67 7.227 -3.899 -17.019 1.00 0.00 H new ATOM 0 HA LYS A 67 8.920 -2.028 -15.780 1.00 0.00 H new ATOM 0 HB2 LYS A 67 6.415 -2.066 -17.358 1.00 0.00 H new ATOM 0 HB3 LYS A 67 6.543 -0.699 -16.269 1.00 0.00 H new ATOM 0 HG2 LYS A 67 8.819 -1.433 -18.125 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.472 -0.461 -18.683 1.00 0.00 H new ATOM 0 HD2 LYS A 67 8.840 0.328 -16.119 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.657 0.657 -17.633 1.00 0.00 H new ATOM 0 HE2 LYS A 67 7.483 1.773 -18.423 1.00 0.00 H new ATOM 0 HE3 LYS A 67 6.913 1.640 -16.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 7.911 3.794 -17.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 8.826 2.940 -16.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 9.379 3.070 -17.634 1.00 0.00 H new ATOM 1135 N ALA A 68 6.266 -2.903 -14.073 1.00 0.00 N ATOM 1136 CA ALA A 68 5.621 -2.810 -12.769 1.00 0.00 C ATOM 1137 C ALA A 68 5.985 -4.001 -11.890 1.00 0.00 C ATOM 1138 O ALA A 68 5.476 -4.143 -10.779 1.00 0.00 O ATOM 1139 CB ALA A 68 4.111 -2.715 -12.933 1.00 0.00 C ATOM 0 H ALA A 68 5.869 -3.612 -14.690 1.00 0.00 H new ATOM 0 HA ALA A 68 5.980 -1.906 -12.277 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.642 -2.646 -11.951 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.863 -1.828 -13.516 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.744 -3.603 -13.449 1.00 0.00 H new ATOM 1145 N ASN A 69 6.871 -4.854 -12.395 1.00 0.00 N ATOM 1146 CA ASN A 69 7.303 -6.034 -11.655 1.00 0.00 C ATOM 1147 C ASN A 69 8.797 -5.970 -11.352 1.00 0.00 C ATOM 1148 O ASN A 69 9.328 -6.799 -10.612 1.00 0.00 O ATOM 1149 CB ASN A 69 6.986 -7.303 -12.448 1.00 0.00 C ATOM 1150 CG ASN A 69 5.506 -7.634 -12.444 1.00 0.00 C ATOM 1151 OD1 ASN A 69 4.883 -7.730 -11.386 1.00 0.00 O ATOM 1152 ND2 ASN A 69 4.936 -7.810 -13.630 1.00 0.00 N ATOM 0 H ASN A 69 7.303 -4.750 -13.313 1.00 0.00 H new ATOM 0 HA ASN A 69 6.760 -6.059 -10.710 1.00 0.00 H new ATOM 0 HB2 ASN A 69 7.325 -7.179 -13.477 1.00 0.00 H new ATOM 0 HB3 ASN A 69 7.544 -8.140 -12.027 1.00 0.00 H new ATOM 0 HD21 ASN A 69 3.943 -8.035 -13.690 1.00 0.00 H new ATOM 0 HD22 ASN A 69 5.491 -7.721 -14.481 1.00 0.00 H new ATOM 1159 N LEU A 70 9.469 -4.979 -11.928 1.00 0.00 N ATOM 1160 CA LEU A 70 10.902 -4.805 -11.720 1.00 0.00 C ATOM 1161 C LEU A 70 11.250 -4.879 -10.237 1.00 0.00 C ATOM 1162 O LEU A 70 12.120 -5.642 -9.815 1.00 0.00 O ATOM 1163 CB LEU A 70 11.362 -3.465 -12.297 1.00 0.00 C ATOM 1164 CG LEU A 70 12.726 -3.465 -12.989 1.00 0.00 C ATOM 1165 CD1 LEU A 70 13.776 -4.114 -12.100 1.00 0.00 C ATOM 1166 CD2 LEU A 70 12.643 -4.180 -14.330 1.00 0.00 C ATOM 0 H LEU A 70 9.045 -4.284 -12.542 1.00 0.00 H new ATOM 0 HA LEU A 70 11.420 -5.613 -12.237 1.00 0.00 H new ATOM 0 HB2 LEU A 70 10.614 -3.124 -13.013 1.00 0.00 H new ATOM 0 HB3 LEU A 70 11.387 -2.734 -11.489 1.00 0.00 H new ATOM 0 HG LEU A 70 13.021 -2.431 -13.169 1.00 0.00 H new ATOM 0 HD11 LEU A 70 14.740 -4.105 -12.609 1.00 0.00 H new ATOM 0 HD12 LEU A 70 13.854 -3.559 -11.165 1.00 0.00 H new ATOM 0 HD13 LEU A 70 13.487 -5.144 -11.888 1.00 0.00 H new ATOM 0 HD21 LEU A 70 13.622 -4.171 -14.809 1.00 0.00 H new ATOM 0 HD22 LEU A 70 12.325 -5.211 -14.174 1.00 0.00 H new ATOM 0 HD23 LEU A 70 11.922 -3.671 -14.970 1.00 0.00 H new ATOM 1178 N PRO A 71 10.554 -4.070 -9.424 1.00 0.00 N ATOM 1179 CA PRO A 71 10.769 -4.028 -7.975 1.00 0.00 C ATOM 1180 C PRO A 71 10.292 -5.298 -7.280 1.00 0.00 C ATOM 1181 O PRO A 71 10.620 -5.544 -6.119 1.00 0.00 O ATOM 1182 CB PRO A 71 9.933 -2.827 -7.527 1.00 0.00 C ATOM 1183 CG PRO A 71 8.873 -2.695 -8.565 1.00 0.00 C ATOM 1184 CD PRO A 71 9.502 -3.135 -9.858 1.00 0.00 C ATOM 0 HA PRO A 71 11.826 -3.947 -7.723 1.00 0.00 H new ATOM 0 HB2 PRO A 71 9.502 -2.991 -6.539 1.00 0.00 H new ATOM 0 HB3 PRO A 71 10.540 -1.924 -7.464 1.00 0.00 H new ATOM 0 HG2 PRO A 71 8.009 -3.313 -8.321 1.00 0.00 H new ATOM 0 HG3 PRO A 71 8.520 -1.666 -8.633 1.00 0.00 H new ATOM 0 HD2 PRO A 71 8.778 -3.620 -10.513 1.00 0.00 H new ATOM 0 HD3 PRO A 71 9.917 -2.292 -10.411 1.00 0.00 H new ATOM 1192 N LEU A 72 9.516 -6.103 -7.998 1.00 0.00 N ATOM 1193 CA LEU A 72 8.993 -7.350 -7.450 1.00 0.00 C ATOM 1194 C LEU A 72 9.912 -8.520 -7.786 1.00 0.00 C ATOM 1195 O LEU A 72 9.945 -9.522 -7.071 1.00 0.00 O ATOM 1196 CB LEU A 72 7.588 -7.619 -7.993 1.00 0.00 C ATOM 1197 CG LEU A 72 6.432 -7.030 -7.183 1.00 0.00 C ATOM 1198 CD1 LEU A 72 6.576 -7.385 -5.711 1.00 0.00 C ATOM 1199 CD2 LEU A 72 6.367 -5.521 -7.366 1.00 0.00 C ATOM 0 H LEU A 72 9.235 -5.915 -8.960 1.00 0.00 H new ATOM 0 HA LEU A 72 8.944 -7.249 -6.366 1.00 0.00 H new ATOM 0 HB2 LEU A 72 7.531 -7.227 -9.008 1.00 0.00 H new ATOM 0 HB3 LEU A 72 7.446 -8.698 -8.060 1.00 0.00 H new ATOM 0 HG LEU A 72 5.500 -7.461 -7.550 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.745 -6.957 -5.151 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.572 -8.469 -5.596 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.515 -6.983 -5.330 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.539 -5.119 -6.783 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.301 -5.073 -7.027 1.00 0.00 H new ATOM 0 HD23 LEU A 72 6.215 -5.289 -8.420 1.00 0.00 H new ATOM 1211 N LEU A 73 10.659 -8.385 -8.876 1.00 0.00 N ATOM 1212 CA LEU A 73 11.582 -9.430 -9.306 1.00 0.00 C ATOM 1213 C LEU A 73 12.906 -9.329 -8.556 1.00 0.00 C ATOM 1214 O LEU A 73 13.589 -10.331 -8.347 1.00 0.00 O ATOM 1215 CB LEU A 73 11.827 -9.333 -10.812 1.00 0.00 C ATOM 1216 CG LEU A 73 11.067 -10.335 -11.682 1.00 0.00 C ATOM 1217 CD1 LEU A 73 11.461 -11.760 -11.324 1.00 0.00 C ATOM 1218 CD2 LEU A 73 9.565 -10.141 -11.531 1.00 0.00 C ATOM 0 H LEU A 73 10.644 -7.562 -9.478 1.00 0.00 H new ATOM 0 HA LEU A 73 11.130 -10.396 -9.079 1.00 0.00 H new ATOM 0 HB2 LEU A 73 11.565 -8.327 -11.138 1.00 0.00 H new ATOM 0 HB3 LEU A 73 12.894 -9.459 -10.995 1.00 0.00 H new ATOM 0 HG LEU A 73 11.333 -10.157 -12.724 1.00 0.00 H new ATOM 0 HD11 LEU A 73 10.910 -12.459 -11.953 1.00 0.00 H new ATOM 0 HD12 LEU A 73 12.531 -11.893 -11.485 1.00 0.00 H new ATOM 0 HD13 LEU A 73 11.225 -11.951 -10.277 1.00 0.00 H new ATOM 0 HD21 LEU A 73 9.040 -10.862 -12.157 1.00 0.00 H new ATOM 0 HD22 LEU A 73 9.282 -10.291 -10.489 1.00 0.00 H new ATOM 0 HD23 LEU A 73 9.296 -9.130 -11.838 1.00 0.00 H new ATOM 1230 N GLN A 74 13.260 -8.114 -8.152 1.00 0.00 N ATOM 1231 CA GLN A 74 14.502 -7.883 -7.423 1.00 0.00 C ATOM 1232 C GLN A 74 14.395 -8.393 -5.990 1.00 0.00 C ATOM 1233 O GLN A 74 15.375 -8.390 -5.245 1.00 0.00 O ATOM 1234 CB GLN A 74 14.848 -6.393 -7.422 1.00 0.00 C ATOM 1235 CG GLN A 74 13.737 -5.511 -6.877 1.00 0.00 C ATOM 1236 CD GLN A 74 13.908 -5.200 -5.403 1.00 0.00 C ATOM 1237 OE1 GLN A 74 13.779 -6.081 -4.552 1.00 0.00 O ATOM 1238 NE2 GLN A 74 14.201 -3.943 -5.093 1.00 0.00 N ATOM 0 H GLN A 74 12.705 -7.274 -8.317 1.00 0.00 H new ATOM 0 HA GLN A 74 15.297 -8.433 -7.927 1.00 0.00 H new ATOM 0 HB2 GLN A 74 15.748 -6.238 -6.827 1.00 0.00 H new ATOM 0 HB3 GLN A 74 15.081 -6.082 -8.440 1.00 0.00 H new ATOM 0 HG2 GLN A 74 13.710 -4.578 -7.440 1.00 0.00 H new ATOM 0 HG3 GLN A 74 12.778 -6.005 -7.031 1.00 0.00 H new ATOM 0 HE21 GLN A 74 14.299 -3.245 -5.831 1.00 0.00 H new ATOM 0 HE22 GLN A 74 14.329 -3.675 -4.117 1.00 0.00 H new ATOM 1247 N ARG A 75 13.199 -8.831 -5.611 1.00 0.00 N ATOM 1248 CA ARG A 75 12.965 -9.343 -4.266 1.00 0.00 C ATOM 1249 C ARG A 75 13.243 -10.842 -4.199 1.00 0.00 C ATOM 1250 O ARG A 75 13.975 -11.308 -3.326 1.00 0.00 O ATOM 1251 CB ARG A 75 11.524 -9.061 -3.834 1.00 0.00 C ATOM 1252 CG ARG A 75 10.934 -7.809 -4.462 1.00 0.00 C ATOM 1253 CD ARG A 75 9.978 -7.107 -3.511 1.00 0.00 C ATOM 1254 NE ARG A 75 10.629 -6.732 -2.258 1.00 0.00 N ATOM 1255 CZ ARG A 75 11.382 -5.647 -2.117 1.00 0.00 C ATOM 1256 NH1 ARG A 75 11.577 -4.833 -3.145 1.00 0.00 N ATOM 1257 NH2 ARG A 75 11.940 -5.373 -0.945 1.00 0.00 N ATOM 0 H ARG A 75 12.378 -8.842 -6.216 1.00 0.00 H new ATOM 0 HA ARG A 75 13.648 -8.833 -3.586 1.00 0.00 H new ATOM 0 HB2 ARG A 75 10.901 -9.916 -4.096 1.00 0.00 H new ATOM 0 HB3 ARG A 75 11.492 -8.963 -2.749 1.00 0.00 H new ATOM 0 HG2 ARG A 75 11.737 -7.127 -4.741 1.00 0.00 H new ATOM 0 HG3 ARG A 75 10.408 -8.074 -5.379 1.00 0.00 H new ATOM 0 HD2 ARG A 75 9.578 -6.215 -3.993 1.00 0.00 H new ATOM 0 HD3 ARG A 75 9.132 -7.761 -3.299 1.00 0.00 H new ATOM 0 HE ARG A 75 10.498 -7.337 -1.447 1.00 0.00 H new ATOM 0 HH11 ARG A 75 11.148 -5.039 -4.047 1.00 0.00 H new ATOM 0 HH12 ARG A 75 12.156 -4.001 -3.034 1.00 0.00 H new ATOM 0 HH21 ARG A 75 11.791 -5.996 -0.151 1.00 0.00 H new ATOM 0 HH22 ARG A 75 12.518 -4.540 -0.838 1.00 0.00 H new ATOM 1271 N GLU A 76 12.654 -11.591 -5.126 1.00 0.00 N ATOM 1272 CA GLU A 76 12.838 -13.036 -5.170 1.00 0.00 C ATOM 1273 C GLU A 76 14.299 -13.391 -5.427 1.00 0.00 C ATOM 1274 O GLU A 76 14.759 -14.477 -5.070 1.00 0.00 O ATOM 1275 CB GLU A 76 11.953 -13.653 -6.256 1.00 0.00 C ATOM 1276 CG GLU A 76 12.410 -13.329 -7.669 1.00 0.00 C ATOM 1277 CD GLU A 76 11.262 -13.295 -8.659 1.00 0.00 C ATOM 1278 OE1 GLU A 76 10.359 -12.449 -8.490 1.00 0.00 O ATOM 1279 OE2 GLU A 76 11.266 -14.113 -9.602 1.00 0.00 O ATOM 0 H GLU A 76 12.046 -11.221 -5.856 1.00 0.00 H new ATOM 0 HA GLU A 76 12.548 -13.443 -4.201 1.00 0.00 H new ATOM 0 HB2 GLU A 76 11.936 -14.735 -6.128 1.00 0.00 H new ATOM 0 HB3 GLU A 76 10.930 -13.300 -6.124 1.00 0.00 H new ATOM 0 HG2 GLU A 76 12.916 -12.363 -7.671 1.00 0.00 H new ATOM 0 HG3 GLU A 76 13.140 -14.072 -7.990 1.00 0.00 H new ATOM 1286 N LEU A 77 15.025 -12.469 -6.050 1.00 0.00 N ATOM 1287 CA LEU A 77 16.435 -12.683 -6.356 1.00 0.00 C ATOM 1288 C LEU A 77 17.222 -13.016 -5.093 1.00 0.00 C ATOM 1289 O LEU A 77 18.199 -13.765 -5.136 1.00 0.00 O ATOM 1290 CB LEU A 77 17.026 -11.442 -7.026 1.00 0.00 C ATOM 1291 CG LEU A 77 17.800 -11.683 -8.323 1.00 0.00 C ATOM 1292 CD1 LEU A 77 18.979 -12.612 -8.076 1.00 0.00 C ATOM 1293 CD2 LEU A 77 16.882 -12.256 -9.393 1.00 0.00 C ATOM 0 H LEU A 77 14.660 -11.566 -6.353 1.00 0.00 H new ATOM 0 HA LEU A 77 16.508 -13.528 -7.041 1.00 0.00 H new ATOM 0 HB2 LEU A 77 16.214 -10.745 -7.235 1.00 0.00 H new ATOM 0 HB3 LEU A 77 17.691 -10.952 -6.315 1.00 0.00 H new ATOM 0 HG LEU A 77 18.185 -10.727 -8.677 1.00 0.00 H new ATOM 0 HD11 LEU A 77 19.518 -12.772 -9.010 1.00 0.00 H new ATOM 0 HD12 LEU A 77 19.649 -12.163 -7.343 1.00 0.00 H new ATOM 0 HD13 LEU A 77 18.616 -13.568 -7.698 1.00 0.00 H new ATOM 0 HD21 LEU A 77 17.449 -12.421 -10.309 1.00 0.00 H new ATOM 0 HD22 LEU A 77 16.467 -13.203 -9.047 1.00 0.00 H new ATOM 0 HD23 LEU A 77 16.071 -11.555 -9.590 1.00 0.00 H new ATOM 1305 N LEU A 78 16.790 -12.456 -3.968 1.00 0.00 N ATOM 1306 CA LEU A 78 17.453 -12.695 -2.690 1.00 0.00 C ATOM 1307 C LEU A 78 17.224 -14.127 -2.218 1.00 0.00 C ATOM 1308 O LEU A 78 17.982 -14.652 -1.401 1.00 0.00 O ATOM 1309 CB LEU A 78 16.943 -11.711 -1.637 1.00 0.00 C ATOM 1310 CG LEU A 78 17.795 -10.460 -1.419 1.00 0.00 C ATOM 1311 CD1 LEU A 78 17.113 -9.513 -0.443 1.00 0.00 C ATOM 1312 CD2 LEU A 78 19.180 -10.840 -0.916 1.00 0.00 C ATOM 0 H LEU A 78 15.984 -11.833 -3.915 1.00 0.00 H new ATOM 0 HA LEU A 78 18.524 -12.545 -2.830 1.00 0.00 H new ATOM 0 HB2 LEU A 78 15.938 -11.397 -1.919 1.00 0.00 H new ATOM 0 HB3 LEU A 78 16.858 -12.238 -0.687 1.00 0.00 H new ATOM 0 HG LEU A 78 17.905 -9.947 -2.374 1.00 0.00 H new ATOM 0 HD11 LEU A 78 17.734 -8.629 -0.300 1.00 0.00 H new ATOM 0 HD12 LEU A 78 16.143 -9.215 -0.842 1.00 0.00 H new ATOM 0 HD13 LEU A 78 16.972 -10.016 0.514 1.00 0.00 H new ATOM 0 HD21 LEU A 78 19.773 -9.938 -0.766 1.00 0.00 H new ATOM 0 HD22 LEU A 78 19.090 -11.376 0.029 1.00 0.00 H new ATOM 0 HD23 LEU A 78 19.671 -11.479 -1.650 1.00 0.00 H new ATOM 1324 N HIS A 79 16.175 -14.757 -2.738 1.00 0.00 N ATOM 1325 CA HIS A 79 15.848 -16.130 -2.371 1.00 0.00 C ATOM 1326 C HIS A 79 16.575 -17.121 -3.274 1.00 0.00 C ATOM 1327 O HIS A 79 16.986 -18.193 -2.831 1.00 0.00 O ATOM 1328 CB HIS A 79 14.338 -16.357 -2.457 1.00 0.00 C ATOM 1329 CG HIS A 79 13.886 -17.631 -1.813 1.00 0.00 C ATOM 1330 ND1 HIS A 79 14.273 -18.011 -0.545 1.00 0.00 N ATOM 1331 CD2 HIS A 79 13.074 -18.614 -2.267 1.00 0.00 C ATOM 1332 CE1 HIS A 79 13.720 -19.174 -0.248 1.00 0.00 C ATOM 1333 NE2 HIS A 79 12.987 -19.561 -1.277 1.00 0.00 N ATOM 0 H HIS A 79 15.537 -14.338 -3.415 1.00 0.00 H new ATOM 0 HA HIS A 79 16.175 -16.293 -1.344 1.00 0.00 H new ATOM 0 HB2 HIS A 79 13.826 -15.519 -1.985 1.00 0.00 H new ATOM 0 HB3 HIS A 79 14.039 -16.363 -3.505 1.00 0.00 H new ATOM 0 HD2 HIS A 79 12.585 -18.647 -3.229 1.00 0.00 H new ATOM 0 HE1 HIS A 79 13.846 -19.716 0.678 1.00 0.00 H new ATOM 0 HE2 HIS A 79 12.445 -20.423 -1.328 1.00 0.00 H new ATOM 1341 N ALA A 80 16.731 -16.756 -4.542 1.00 0.00 N ATOM 1342 CA ALA A 80 17.410 -17.612 -5.507 1.00 0.00 C ATOM 1343 C ALA A 80 18.815 -17.967 -5.032 1.00 0.00 C ATOM 1344 O ALA A 80 19.231 -19.123 -5.102 1.00 0.00 O ATOM 1345 CB ALA A 80 17.466 -16.934 -6.868 1.00 0.00 C ATOM 0 H ALA A 80 16.396 -15.872 -4.925 1.00 0.00 H new ATOM 0 HA ALA A 80 16.841 -18.537 -5.598 1.00 0.00 H new ATOM 0 HB1 ALA A 80 17.976 -17.585 -7.578 1.00 0.00 H new ATOM 0 HB2 ALA A 80 16.453 -16.737 -7.219 1.00 0.00 H new ATOM 0 HB3 ALA A 80 18.010 -15.993 -6.784 1.00 0.00 H new ATOM 1351 N ALA A 81 19.542 -16.964 -4.550 1.00 0.00 N ATOM 1352 CA ALA A 81 20.900 -17.171 -4.063 1.00 0.00 C ATOM 1353 C ALA A 81 20.942 -18.264 -3.001 1.00 0.00 C ATOM 1354 O ALA A 81 21.880 -19.060 -2.952 1.00 0.00 O ATOM 1355 CB ALA A 81 21.465 -15.871 -3.508 1.00 0.00 C ATOM 0 H ALA A 81 19.213 -16.001 -4.486 1.00 0.00 H new ATOM 0 HA ALA A 81 21.516 -17.493 -4.903 1.00 0.00 H new ATOM 0 HB1 ALA A 81 22.480 -16.040 -3.148 1.00 0.00 H new ATOM 0 HB2 ALA A 81 21.480 -15.116 -4.294 1.00 0.00 H new ATOM 0 HB3 ALA A 81 20.840 -15.525 -2.684 1.00 0.00 H new ATOM 1361 N ARG A 82 19.920 -18.297 -2.152 1.00 0.00 N ATOM 1362 CA ARG A 82 19.842 -19.292 -1.089 1.00 0.00 C ATOM 1363 C ARG A 82 19.634 -20.689 -1.667 1.00 0.00 C ATOM 1364 O ARG A 82 20.097 -21.681 -1.102 1.00 0.00 O ATOM 1365 CB ARG A 82 18.703 -18.952 -0.126 1.00 0.00 C ATOM 1366 CG ARG A 82 18.735 -17.517 0.373 1.00 0.00 C ATOM 1367 CD ARG A 82 20.052 -17.195 1.061 1.00 0.00 C ATOM 1368 NE ARG A 82 20.411 -18.203 2.055 1.00 0.00 N ATOM 1369 CZ ARG A 82 19.909 -18.234 3.285 1.00 0.00 C ATOM 1370 NH1 ARG A 82 19.032 -17.317 3.669 1.00 0.00 N ATOM 1371 NH2 ARG A 82 20.284 -19.183 4.132 1.00 0.00 N ATOM 0 H ARG A 82 19.135 -17.646 -2.180 1.00 0.00 H new ATOM 0 HA ARG A 82 20.786 -19.280 -0.544 1.00 0.00 H new ATOM 0 HB2 ARG A 82 17.751 -19.133 -0.625 1.00 0.00 H new ATOM 0 HB3 ARG A 82 18.748 -19.626 0.729 1.00 0.00 H new ATOM 0 HG2 ARG A 82 18.585 -16.836 -0.465 1.00 0.00 H new ATOM 0 HG3 ARG A 82 17.911 -17.354 1.068 1.00 0.00 H new ATOM 0 HD2 ARG A 82 20.843 -17.124 0.315 1.00 0.00 H new ATOM 0 HD3 ARG A 82 19.980 -16.220 1.543 1.00 0.00 H new ATOM 0 HE ARG A 82 21.084 -18.923 1.791 1.00 0.00 H new ATOM 0 HH11 ARG A 82 18.741 -16.586 3.020 1.00 0.00 H new ATOM 0 HH12 ARG A 82 18.648 -17.343 4.614 1.00 0.00 H new ATOM 0 HH21 ARG A 82 20.958 -19.890 3.840 1.00 0.00 H new ATOM 0 HH22 ARG A 82 19.898 -19.206 5.076 1.00 0.00 H new ATOM 1385 N LEU A 83 18.935 -20.759 -2.794 1.00 0.00 N ATOM 1386 CA LEU A 83 18.664 -22.035 -3.449 1.00 0.00 C ATOM 1387 C LEU A 83 19.663 -22.292 -4.572 1.00 0.00 C ATOM 1388 O LEU A 83 19.532 -23.258 -5.324 1.00 0.00 O ATOM 1389 CB LEU A 83 17.239 -22.054 -4.004 1.00 0.00 C ATOM 1390 CG LEU A 83 16.656 -23.434 -4.308 1.00 0.00 C ATOM 1391 CD1 LEU A 83 16.121 -24.079 -3.039 1.00 0.00 C ATOM 1392 CD2 LEU A 83 15.559 -23.330 -5.358 1.00 0.00 C ATOM 0 H LEU A 83 18.545 -19.948 -3.274 1.00 0.00 H new ATOM 0 HA LEU A 83 18.768 -22.826 -2.706 1.00 0.00 H new ATOM 0 HB2 LEU A 83 16.585 -21.555 -3.289 1.00 0.00 H new ATOM 0 HB3 LEU A 83 17.219 -21.463 -4.920 1.00 0.00 H new ATOM 0 HG LEU A 83 17.452 -24.064 -4.704 1.00 0.00 H new ATOM 0 HD11 LEU A 83 15.710 -25.061 -3.275 1.00 0.00 H new ATOM 0 HD12 LEU A 83 16.931 -24.189 -2.317 1.00 0.00 H new ATOM 0 HD13 LEU A 83 15.338 -23.451 -2.614 1.00 0.00 H new ATOM 0 HD21 LEU A 83 15.155 -24.322 -5.562 1.00 0.00 H new ATOM 0 HD22 LEU A 83 14.763 -22.683 -4.990 1.00 0.00 H new ATOM 0 HD23 LEU A 83 15.972 -22.911 -6.275 1.00 0.00 H new ATOM 1404 N ALA A 84 20.663 -21.423 -4.679 1.00 0.00 N ATOM 1405 CA ALA A 84 21.686 -21.559 -5.708 1.00 0.00 C ATOM 1406 C ALA A 84 23.063 -21.775 -5.088 1.00 0.00 C ATOM 1407 O ALA A 84 24.053 -21.959 -5.797 1.00 0.00 O ATOM 1408 CB ALA A 84 21.698 -20.331 -6.607 1.00 0.00 C ATOM 0 H ALA A 84 20.786 -20.617 -4.066 1.00 0.00 H new ATOM 0 HA ALA A 84 21.445 -22.435 -6.310 1.00 0.00 H new ATOM 0 HB1 ALA A 84 22.467 -20.447 -7.371 1.00 0.00 H new ATOM 0 HB2 ALA A 84 20.725 -20.221 -7.086 1.00 0.00 H new ATOM 0 HB3 ALA A 84 21.911 -19.445 -6.009 1.00 0.00 H new ATOM 1414 N LYS A 85 23.119 -21.751 -3.761 1.00 0.00 N ATOM 1415 CA LYS A 85 24.374 -21.945 -3.044 1.00 0.00 C ATOM 1416 C LYS A 85 25.360 -20.826 -3.361 1.00 0.00 C ATOM 1417 O LYS A 85 26.573 -21.029 -3.329 1.00 0.00 O ATOM 1418 CB LYS A 85 24.988 -23.299 -3.407 1.00 0.00 C ATOM 1419 CG LYS A 85 24.139 -24.486 -2.986 1.00 0.00 C ATOM 1420 CD LYS A 85 23.313 -25.020 -4.145 1.00 0.00 C ATOM 1421 CE LYS A 85 22.002 -25.623 -3.664 1.00 0.00 C ATOM 1422 NZ LYS A 85 21.483 -26.648 -4.610 1.00 0.00 N ATOM 0 H LYS A 85 22.309 -21.599 -3.160 1.00 0.00 H new ATOM 0 HA LYS A 85 24.160 -21.925 -1.975 1.00 0.00 H new ATOM 0 HB2 LYS A 85 25.145 -23.340 -4.485 1.00 0.00 H new ATOM 0 HB3 LYS A 85 25.969 -23.381 -2.939 1.00 0.00 H new ATOM 0 HG2 LYS A 85 24.783 -25.277 -2.602 1.00 0.00 H new ATOM 0 HG3 LYS A 85 23.477 -24.191 -2.172 1.00 0.00 H new ATOM 0 HD2 LYS A 85 23.107 -24.213 -4.849 1.00 0.00 H new ATOM 0 HD3 LYS A 85 23.886 -25.775 -4.684 1.00 0.00 H new ATOM 0 HE2 LYS A 85 22.149 -26.075 -2.683 1.00 0.00 H new ATOM 0 HE3 LYS A 85 21.261 -24.832 -3.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 20.589 -27.035 -4.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 21.319 -26.211 -5.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 22.178 -27.415 -4.706 1.00 0.00 H new ATOM 1436 N GLN A 86 24.831 -19.645 -3.664 1.00 0.00 N ATOM 1437 CA GLN A 86 25.666 -18.494 -3.986 1.00 0.00 C ATOM 1438 C GLN A 86 25.101 -17.221 -3.364 1.00 0.00 C ATOM 1439 O GLN A 86 24.101 -17.259 -2.649 1.00 0.00 O ATOM 1440 CB GLN A 86 25.780 -18.328 -5.502 1.00 0.00 C ATOM 1441 CG GLN A 86 25.639 -19.632 -6.270 1.00 0.00 C ATOM 1442 CD GLN A 86 26.277 -19.573 -7.644 1.00 0.00 C ATOM 1443 OE1 GLN A 86 25.650 -19.914 -8.647 1.00 0.00 O ATOM 1444 NE2 GLN A 86 27.531 -19.138 -7.696 1.00 0.00 N ATOM 0 H GLN A 86 23.828 -19.460 -3.693 1.00 0.00 H new ATOM 0 HA GLN A 86 26.659 -18.670 -3.572 1.00 0.00 H new ATOM 0 HB2 GLN A 86 25.013 -17.632 -5.841 1.00 0.00 H new ATOM 0 HB3 GLN A 86 26.745 -17.880 -5.738 1.00 0.00 H new ATOM 0 HG2 GLN A 86 26.096 -20.438 -5.696 1.00 0.00 H new ATOM 0 HG3 GLN A 86 24.582 -19.875 -6.375 1.00 0.00 H new ATOM 0 HE21 GLN A 86 28.012 -18.866 -6.839 1.00 0.00 H new ATOM 0 HE22 GLN A 86 28.013 -19.076 -8.593 1.00 0.00 H new ATOM 1453 N ASN A 87 25.750 -16.095 -3.641 1.00 0.00 N ATOM 1454 CA ASN A 87 25.313 -14.810 -3.108 1.00 0.00 C ATOM 1455 C ASN A 87 24.173 -14.234 -3.942 1.00 0.00 C ATOM 1456 O ASN A 87 23.984 -14.585 -5.107 1.00 0.00 O ATOM 1457 CB ASN A 87 26.483 -13.824 -3.072 1.00 0.00 C ATOM 1458 CG ASN A 87 27.071 -13.675 -1.683 1.00 0.00 C ATOM 1459 OD1 ASN A 87 26.719 -12.756 -0.943 1.00 0.00 O ATOM 1460 ND2 ASN A 87 27.973 -14.580 -1.321 1.00 0.00 N ATOM 0 H ASN A 87 26.580 -16.046 -4.231 1.00 0.00 H new ATOM 0 HA ASN A 87 24.951 -14.971 -2.093 1.00 0.00 H new ATOM 0 HB2 ASN A 87 27.260 -14.161 -3.758 1.00 0.00 H new ATOM 0 HB3 ASN A 87 26.145 -12.850 -3.427 1.00 0.00 H new ATOM 0 HD21 ASN A 87 28.403 -14.530 -0.398 1.00 0.00 H new ATOM 0 HD22 ASN A 87 28.235 -15.325 -1.966 1.00 0.00 H new ATOM 1467 N PRO A 88 23.394 -13.326 -3.334 1.00 0.00 N ATOM 1468 CA PRO A 88 22.260 -12.681 -4.003 1.00 0.00 C ATOM 1469 C PRO A 88 22.705 -11.713 -5.094 1.00 0.00 C ATOM 1470 O PRO A 88 22.036 -11.565 -6.116 1.00 0.00 O ATOM 1471 CB PRO A 88 21.563 -11.926 -2.869 1.00 0.00 C ATOM 1472 CG PRO A 88 22.634 -11.679 -1.863 1.00 0.00 C ATOM 1473 CD PRO A 88 23.561 -12.860 -1.948 1.00 0.00 C ATOM 0 HA PRO A 88 21.620 -13.404 -4.509 1.00 0.00 H new ATOM 0 HB2 PRO A 88 21.130 -10.991 -3.224 1.00 0.00 H new ATOM 0 HB3 PRO A 88 20.749 -12.513 -2.444 1.00 0.00 H new ATOM 0 HG2 PRO A 88 23.164 -10.751 -2.077 1.00 0.00 H new ATOM 0 HG3 PRO A 88 22.214 -11.583 -0.862 1.00 0.00 H new ATOM 0 HD2 PRO A 88 24.593 -12.576 -1.741 1.00 0.00 H new ATOM 0 HD3 PRO A 88 23.293 -13.634 -1.229 1.00 0.00 H new ATOM 1481 N ALA A 89 23.838 -11.056 -4.869 1.00 0.00 N ATOM 1482 CA ALA A 89 24.373 -10.104 -5.835 1.00 0.00 C ATOM 1483 C ALA A 89 25.367 -10.776 -6.776 1.00 0.00 C ATOM 1484 O ALA A 89 25.671 -10.253 -7.848 1.00 0.00 O ATOM 1485 CB ALA A 89 25.032 -8.937 -5.115 1.00 0.00 C ATOM 0 H ALA A 89 24.403 -11.165 -4.027 1.00 0.00 H new ATOM 0 HA ALA A 89 23.544 -9.727 -6.434 1.00 0.00 H new ATOM 0 HB1 ALA A 89 25.427 -8.234 -5.848 1.00 0.00 H new ATOM 0 HB2 ALA A 89 24.296 -8.433 -4.489 1.00 0.00 H new ATOM 0 HB3 ALA A 89 25.846 -9.307 -4.492 1.00 0.00 H new ATOM 1491 N GLN A 90 25.869 -11.937 -6.368 1.00 0.00 N ATOM 1492 CA GLN A 90 26.830 -12.680 -7.176 1.00 0.00 C ATOM 1493 C GLN A 90 26.138 -13.786 -7.965 1.00 0.00 C ATOM 1494 O GLN A 90 26.732 -14.389 -8.859 1.00 0.00 O ATOM 1495 CB GLN A 90 27.921 -13.278 -6.286 1.00 0.00 C ATOM 1496 CG GLN A 90 28.531 -12.279 -5.316 1.00 0.00 C ATOM 1497 CD GLN A 90 29.849 -12.756 -4.738 1.00 0.00 C ATOM 1498 OE1 GLN A 90 29.863 -13.020 -3.436 1.00 0.00 O flip ATOM 1499 NE2 GLN A 90 30.843 -12.887 -5.452 1.00 0.00 N flip ATOM 0 H GLN A 90 25.627 -12.384 -5.484 1.00 0.00 H new ATOM 0 HA GLN A 90 27.286 -11.986 -7.882 1.00 0.00 H new ATOM 0 HB2 GLN A 90 27.502 -14.110 -5.721 1.00 0.00 H new ATOM 0 HB3 GLN A 90 28.710 -13.687 -6.918 1.00 0.00 H new ATOM 0 HG2 GLN A 90 28.686 -11.329 -5.828 1.00 0.00 H new ATOM 0 HG3 GLN A 90 27.829 -12.092 -4.504 1.00 0.00 H new ATOM 0 HE21 GLN A 90 30.788 -12.673 -6.448 1.00 0.00 H new ATOM 0 HE22 GLN A 90 31.722 -13.210 -5.048 1.00 0.00 H new ATOM 1508 N TYR A 91 24.880 -14.047 -7.629 1.00 0.00 N ATOM 1509 CA TYR A 91 24.108 -15.083 -8.304 1.00 0.00 C ATOM 1510 C TYR A 91 24.186 -14.920 -9.819 1.00 0.00 C ATOM 1511 O TYR A 91 24.390 -15.890 -10.551 1.00 0.00 O ATOM 1512 CB TYR A 91 22.648 -15.038 -7.850 1.00 0.00 C ATOM 1513 CG TYR A 91 21.754 -16.009 -8.589 1.00 0.00 C ATOM 1514 CD1 TYR A 91 22.058 -17.363 -8.641 1.00 0.00 C ATOM 1515 CD2 TYR A 91 20.604 -15.570 -9.234 1.00 0.00 C ATOM 1516 CE1 TYR A 91 21.244 -18.253 -9.315 1.00 0.00 C ATOM 1517 CE2 TYR A 91 19.783 -16.453 -9.909 1.00 0.00 C ATOM 1518 CZ TYR A 91 20.108 -17.793 -9.948 1.00 0.00 C ATOM 1519 OH TYR A 91 19.294 -18.676 -10.619 1.00 0.00 O ATOM 0 H TYR A 91 24.373 -13.555 -6.893 1.00 0.00 H new ATOM 0 HA TYR A 91 24.535 -16.050 -8.038 1.00 0.00 H new ATOM 0 HB2 TYR A 91 22.601 -15.254 -6.783 1.00 0.00 H new ATOM 0 HB3 TYR A 91 22.264 -14.027 -7.988 1.00 0.00 H new ATOM 0 HD1 TYR A 91 22.946 -17.727 -8.146 1.00 0.00 H new ATOM 0 HD2 TYR A 91 20.348 -14.521 -9.207 1.00 0.00 H new ATOM 0 HE1 TYR A 91 21.496 -19.303 -9.346 1.00 0.00 H new ATOM 0 HE2 TYR A 91 18.892 -16.096 -10.403 1.00 0.00 H new ATOM 0 HH TYR A 91 18.536 -18.191 -11.008 1.00 0.00 H new ATOM 1529 N LEU A 92 24.022 -13.686 -10.284 1.00 0.00 N ATOM 1530 CA LEU A 92 24.074 -13.394 -11.712 1.00 0.00 C ATOM 1531 C LEU A 92 25.489 -13.018 -12.140 1.00 0.00 C ATOM 1532 O LEU A 92 26.022 -13.563 -13.105 1.00 0.00 O ATOM 1533 CB LEU A 92 23.107 -12.259 -12.056 1.00 0.00 C ATOM 1534 CG LEU A 92 23.344 -11.557 -13.394 1.00 0.00 C ATOM 1535 CD1 LEU A 92 22.025 -11.113 -14.005 1.00 0.00 C ATOM 1536 CD2 LEU A 92 24.278 -10.369 -13.214 1.00 0.00 C ATOM 0 H LEU A 92 23.852 -12.872 -9.693 1.00 0.00 H new ATOM 0 HA LEU A 92 23.777 -14.293 -12.252 1.00 0.00 H new ATOM 0 HB2 LEU A 92 22.093 -12.659 -12.053 1.00 0.00 H new ATOM 0 HB3 LEU A 92 23.157 -11.513 -11.263 1.00 0.00 H new ATOM 0 HG LEU A 92 23.816 -12.265 -14.076 1.00 0.00 H new ATOM 0 HD11 LEU A 92 22.214 -10.616 -14.956 1.00 0.00 H new ATOM 0 HD12 LEU A 92 21.389 -11.983 -14.170 1.00 0.00 H new ATOM 0 HD13 LEU A 92 21.524 -10.422 -13.327 1.00 0.00 H new ATOM 0 HD21 LEU A 92 24.436 -9.881 -14.176 1.00 0.00 H new ATOM 0 HD22 LEU A 92 23.834 -9.660 -12.516 1.00 0.00 H new ATOM 0 HD23 LEU A 92 25.234 -10.714 -12.821 1.00 0.00 H new ATOM 1548 N ALA A 93 26.093 -12.083 -11.412 1.00 0.00 N ATOM 1549 CA ALA A 93 27.448 -11.638 -11.713 1.00 0.00 C ATOM 1550 C ALA A 93 28.400 -12.822 -11.838 1.00 0.00 C ATOM 1551 O ALA A 93 28.978 -13.056 -12.899 1.00 0.00 O ATOM 1552 CB ALA A 93 27.937 -10.675 -10.642 1.00 0.00 C ATOM 0 H ALA A 93 25.665 -11.620 -10.610 1.00 0.00 H new ATOM 0 HA ALA A 93 27.429 -11.119 -12.671 1.00 0.00 H new ATOM 0 HB1 ALA A 93 28.950 -10.351 -10.879 1.00 0.00 H new ATOM 0 HB2 ALA A 93 27.278 -9.808 -10.604 1.00 0.00 H new ATOM 0 HB3 ALA A 93 27.934 -11.176 -9.674 1.00 0.00 H new ATOM 1558 N GLN A 94 28.560 -13.565 -10.747 1.00 0.00 N ATOM 1559 CA GLN A 94 29.444 -14.724 -10.736 1.00 0.00 C ATOM 1560 C GLN A 94 30.836 -14.352 -11.233 1.00 0.00 C ATOM 1561 O GLN A 94 31.547 -15.183 -11.800 1.00 0.00 O ATOM 1562 CB GLN A 94 28.863 -15.844 -11.601 1.00 0.00 C ATOM 1563 CG GLN A 94 27.408 -16.159 -11.291 1.00 0.00 C ATOM 1564 CD GLN A 94 26.819 -17.186 -12.238 1.00 0.00 C ATOM 1565 OE1 GLN A 94 27.044 -17.134 -13.448 1.00 0.00 O ATOM 1566 NE2 GLN A 94 26.060 -18.129 -11.692 1.00 0.00 N ATOM 0 H GLN A 94 28.089 -13.385 -9.860 1.00 0.00 H new ATOM 0 HA GLN A 94 29.527 -15.075 -9.708 1.00 0.00 H new ATOM 0 HB2 GLN A 94 28.950 -15.563 -12.651 1.00 0.00 H new ATOM 0 HB3 GLN A 94 29.459 -16.746 -11.462 1.00 0.00 H new ATOM 0 HG2 GLN A 94 27.330 -16.527 -10.268 1.00 0.00 H new ATOM 0 HG3 GLN A 94 26.822 -15.242 -11.346 1.00 0.00 H new ATOM 0 HE21 GLN A 94 25.900 -18.135 -10.685 1.00 0.00 H new ATOM 0 HE22 GLN A 94 25.638 -18.848 -12.280 1.00 0.00 H new ATOM 1575 N HIS A 95 31.220 -13.097 -11.019 1.00 0.00 N ATOM 1576 CA HIS A 95 32.529 -12.615 -11.446 1.00 0.00 C ATOM 1577 C HIS A 95 32.868 -11.292 -10.766 1.00 0.00 C ATOM 1578 O HIS A 95 31.994 -10.625 -10.214 1.00 0.00 O ATOM 1579 CB HIS A 95 32.563 -12.444 -12.965 1.00 0.00 C ATOM 1580 CG HIS A 95 33.925 -12.633 -13.558 1.00 0.00 C ATOM 1581 ND1 HIS A 95 34.776 -13.650 -13.181 1.00 0.00 N ATOM 1582 CD2 HIS A 95 34.581 -11.928 -14.509 1.00 0.00 C ATOM 1583 CE1 HIS A 95 35.898 -13.561 -13.873 1.00 0.00 C ATOM 1584 NE2 HIS A 95 35.805 -12.525 -14.687 1.00 0.00 N ATOM 0 H HIS A 95 30.644 -12.396 -10.553 1.00 0.00 H new ATOM 0 HA HIS A 95 33.274 -13.355 -11.155 1.00 0.00 H new ATOM 0 HB2 HIS A 95 31.876 -13.158 -13.418 1.00 0.00 H new ATOM 0 HB3 HIS A 95 32.200 -11.448 -13.219 1.00 0.00 H new ATOM 0 HD2 HIS A 95 34.211 -11.058 -15.031 1.00 0.00 H new ATOM 0 HE1 HIS A 95 36.747 -14.223 -13.788 1.00 0.00 H new ATOM 0 HE2 HIS A 95 36.525 -12.218 -15.341 1.00 0.00 H new ATOM 1592 N GLU A 96 34.144 -10.919 -10.810 1.00 0.00 N ATOM 1593 CA GLU A 96 34.597 -9.677 -10.196 1.00 0.00 C ATOM 1594 C GLU A 96 34.526 -8.521 -11.191 1.00 0.00 C ATOM 1595 O GLU A 96 33.922 -7.486 -10.912 1.00 0.00 O ATOM 1596 CB GLU A 96 36.029 -9.831 -9.678 1.00 0.00 C ATOM 1597 CG GLU A 96 36.547 -8.604 -8.946 1.00 0.00 C ATOM 1598 CD GLU A 96 35.875 -8.399 -7.602 1.00 0.00 C ATOM 1599 OE1 GLU A 96 35.962 -9.310 -6.752 1.00 0.00 O ATOM 1600 OE2 GLU A 96 35.263 -7.330 -7.401 1.00 0.00 O ATOM 0 H GLU A 96 34.881 -11.459 -11.264 1.00 0.00 H new ATOM 0 HA GLU A 96 33.937 -9.454 -9.358 1.00 0.00 H new ATOM 0 HB2 GLU A 96 36.074 -10.689 -9.008 1.00 0.00 H new ATOM 0 HB3 GLU A 96 36.689 -10.048 -10.518 1.00 0.00 H new ATOM 0 HG2 GLU A 96 37.623 -8.700 -8.799 1.00 0.00 H new ATOM 0 HG3 GLU A 96 36.388 -7.722 -9.566 1.00 0.00 H new ATOM 1607 N GLN A 97 35.148 -8.707 -12.350 1.00 0.00 N ATOM 1608 CA GLN A 97 35.157 -7.680 -13.386 1.00 0.00 C ATOM 1609 C GLN A 97 33.741 -7.203 -13.690 1.00 0.00 C ATOM 1610 O GLN A 97 33.523 -6.031 -14.002 1.00 0.00 O ATOM 1611 CB GLN A 97 35.812 -8.216 -14.660 1.00 0.00 C ATOM 1612 CG GLN A 97 37.320 -8.371 -14.549 1.00 0.00 C ATOM 1613 CD GLN A 97 38.059 -7.065 -14.766 1.00 0.00 C ATOM 1614 OE1 GLN A 97 37.653 -6.238 -15.584 1.00 0.00 O ATOM 1615 NE2 GLN A 97 39.149 -6.872 -14.034 1.00 0.00 N ATOM 0 H GLN A 97 35.652 -9.559 -12.596 1.00 0.00 H new ATOM 0 HA GLN A 97 35.736 -6.833 -13.018 1.00 0.00 H new ATOM 0 HB2 GLN A 97 35.373 -9.183 -14.905 1.00 0.00 H new ATOM 0 HB3 GLN A 97 35.584 -7.543 -15.487 1.00 0.00 H new ATOM 0 HG2 GLN A 97 37.569 -8.766 -13.564 1.00 0.00 H new ATOM 0 HG3 GLN A 97 37.661 -9.103 -15.281 1.00 0.00 H new ATOM 0 HE21 GLN A 97 39.449 -7.584 -13.368 1.00 0.00 H new ATOM 0 HE22 GLN A 97 39.687 -6.011 -14.137 1.00 0.00 H new ATOM 1624 N LEU A 98 32.781 -8.117 -13.598 1.00 0.00 N ATOM 1625 CA LEU A 98 31.385 -7.789 -13.864 1.00 0.00 C ATOM 1626 C LEU A 98 30.674 -7.356 -12.586 1.00 0.00 C ATOM 1627 O LEU A 98 29.600 -7.863 -12.258 1.00 0.00 O ATOM 1628 CB LEU A 98 30.666 -8.992 -14.479 1.00 0.00 C ATOM 1629 CG LEU A 98 29.507 -8.671 -15.423 1.00 0.00 C ATOM 1630 CD1 LEU A 98 30.013 -7.955 -16.665 1.00 0.00 C ATOM 1631 CD2 LEU A 98 28.763 -9.943 -15.804 1.00 0.00 C ATOM 0 H LEU A 98 32.944 -9.091 -13.341 1.00 0.00 H new ATOM 0 HA LEU A 98 31.361 -6.959 -14.570 1.00 0.00 H new ATOM 0 HB2 LEU A 98 31.398 -9.588 -15.024 1.00 0.00 H new ATOM 0 HB3 LEU A 98 30.287 -9.616 -13.670 1.00 0.00 H new ATOM 0 HG LEU A 98 28.813 -8.009 -14.905 1.00 0.00 H new ATOM 0 HD11 LEU A 98 29.174 -7.735 -17.325 1.00 0.00 H new ATOM 0 HD12 LEU A 98 30.501 -7.024 -16.375 1.00 0.00 H new ATOM 0 HD13 LEU A 98 30.727 -8.592 -17.186 1.00 0.00 H new ATOM 0 HD21 LEU A 98 27.941 -9.696 -16.476 1.00 0.00 H new ATOM 0 HD22 LEU A 98 29.447 -10.629 -16.304 1.00 0.00 H new ATOM 0 HD23 LEU A 98 28.367 -10.416 -14.905 1.00 0.00 H new ATOM 1643 N LEU A 99 31.278 -6.415 -11.870 1.00 0.00 N ATOM 1644 CA LEU A 99 30.702 -5.911 -10.628 1.00 0.00 C ATOM 1645 C LEU A 99 30.297 -4.447 -10.770 1.00 0.00 C ATOM 1646 O LEU A 99 29.112 -4.127 -10.878 1.00 0.00 O ATOM 1647 CB LEU A 99 31.700 -6.066 -9.479 1.00 0.00 C ATOM 1648 CG LEU A 99 31.256 -5.513 -8.125 1.00 0.00 C ATOM 1649 CD1 LEU A 99 30.735 -6.632 -7.236 1.00 0.00 C ATOM 1650 CD2 LEU A 99 32.404 -4.781 -7.446 1.00 0.00 C ATOM 0 H LEU A 99 32.166 -5.985 -12.128 1.00 0.00 H new ATOM 0 HA LEU A 99 29.809 -6.496 -10.407 1.00 0.00 H new ATOM 0 HB2 LEU A 99 31.925 -7.126 -9.360 1.00 0.00 H new ATOM 0 HB3 LEU A 99 32.630 -5.573 -9.763 1.00 0.00 H new ATOM 0 HG LEU A 99 30.446 -4.803 -8.292 1.00 0.00 H new ATOM 0 HD11 LEU A 99 30.424 -6.219 -6.276 1.00 0.00 H new ATOM 0 HD12 LEU A 99 29.884 -7.113 -7.718 1.00 0.00 H new ATOM 0 HD13 LEU A 99 31.524 -7.367 -7.076 1.00 0.00 H new ATOM 0 HD21 LEU A 99 32.070 -4.394 -6.483 1.00 0.00 H new ATOM 0 HD22 LEU A 99 33.234 -5.470 -7.292 1.00 0.00 H new ATOM 0 HD23 LEU A 99 32.731 -3.954 -8.076 1.00 0.00 H new ATOM 1662 N LEU A 100 31.288 -3.562 -10.771 1.00 0.00 N ATOM 1663 CA LEU A 100 31.035 -2.131 -10.903 1.00 0.00 C ATOM 1664 C LEU A 100 32.023 -1.491 -11.873 1.00 0.00 C ATOM 1665 O LEU A 100 32.721 -0.538 -11.526 1.00 0.00 O ATOM 1666 CB LEU A 100 31.130 -1.449 -9.537 1.00 0.00 C ATOM 1667 CG LEU A 100 30.053 -1.830 -8.520 1.00 0.00 C ATOM 1668 CD1 LEU A 100 30.606 -1.756 -7.105 1.00 0.00 C ATOM 1669 CD2 LEU A 100 28.837 -0.928 -8.668 1.00 0.00 C ATOM 0 H LEU A 100 32.273 -3.810 -10.682 1.00 0.00 H new ATOM 0 HA LEU A 100 30.028 -2.000 -11.299 1.00 0.00 H new ATOM 0 HB2 LEU A 100 32.105 -1.677 -9.106 1.00 0.00 H new ATOM 0 HB3 LEU A 100 31.093 -0.370 -9.688 1.00 0.00 H new ATOM 0 HG LEU A 100 29.744 -2.857 -8.714 1.00 0.00 H new ATOM 0 HD11 LEU A 100 29.826 -2.030 -6.395 1.00 0.00 H new ATOM 0 HD12 LEU A 100 31.445 -2.444 -7.006 1.00 0.00 H new ATOM 0 HD13 LEU A 100 30.944 -0.740 -6.899 1.00 0.00 H new ATOM 0 HD21 LEU A 100 28.081 -1.214 -7.937 1.00 0.00 H new ATOM 0 HD22 LEU A 100 29.130 0.108 -8.501 1.00 0.00 H new ATOM 0 HD23 LEU A 100 28.427 -1.032 -9.673 1.00 0.00 H new ATOM 1681 N ASP A 101 32.074 -2.020 -13.091 1.00 0.00 N ATOM 1682 CA ASP A 101 32.974 -1.498 -14.113 1.00 0.00 C ATOM 1683 C ASP A 101 32.410 -0.223 -14.734 1.00 0.00 C ATOM 1684 O ASP A 101 32.159 -0.165 -15.937 1.00 0.00 O ATOM 1685 CB ASP A 101 33.208 -2.548 -15.200 1.00 0.00 C ATOM 1686 CG ASP A 101 34.189 -2.079 -16.257 1.00 0.00 C ATOM 1687 OD1 ASP A 101 35.320 -1.698 -15.888 1.00 0.00 O ATOM 1688 OD2 ASP A 101 33.826 -2.092 -17.452 1.00 0.00 O ATOM 0 H ASP A 101 31.503 -2.809 -13.394 1.00 0.00 H new ATOM 0 HA ASP A 101 33.925 -1.259 -13.637 1.00 0.00 H new ATOM 0 HB2 ASP A 101 33.582 -3.464 -14.742 1.00 0.00 H new ATOM 0 HB3 ASP A 101 32.258 -2.794 -15.674 1.00 0.00 H new ATOM 1693 N ALA A 102 32.213 0.796 -13.903 1.00 0.00 N ATOM 1694 CA ALA A 102 31.680 2.069 -14.370 1.00 0.00 C ATOM 1695 C ALA A 102 32.687 2.793 -15.259 1.00 0.00 C ATOM 1696 O ALA A 102 32.371 3.178 -16.384 1.00 0.00 O ATOM 1697 CB ALA A 102 31.293 2.945 -13.187 1.00 0.00 C ATOM 0 H ALA A 102 32.415 0.764 -12.904 1.00 0.00 H new ATOM 0 HA ALA A 102 30.789 1.866 -14.965 1.00 0.00 H new ATOM 0 HB1 ALA A 102 30.896 3.893 -13.551 1.00 0.00 H new ATOM 0 HB2 ALA A 102 30.533 2.438 -12.592 1.00 0.00 H new ATOM 0 HB3 ALA A 102 32.172 3.132 -12.570 1.00 0.00 H new ATOM 1703 N SER A 103 33.899 2.974 -14.745 1.00 0.00 N ATOM 1704 CA SER A 103 34.951 3.656 -15.491 1.00 0.00 C ATOM 1705 C SER A 103 35.225 2.948 -16.814 1.00 0.00 C ATOM 1706 O SER A 103 36.344 2.511 -17.075 1.00 0.00 O ATOM 1707 CB SER A 103 36.234 3.722 -14.660 1.00 0.00 C ATOM 1708 OG SER A 103 36.546 2.457 -14.102 1.00 0.00 O ATOM 0 H SER A 103 34.177 2.658 -13.816 1.00 0.00 H new ATOM 0 HA SER A 103 34.612 4.670 -15.705 1.00 0.00 H new ATOM 0 HB2 SER A 103 37.060 4.060 -15.286 1.00 0.00 H new ATOM 0 HB3 SER A 103 36.117 4.456 -13.863 1.00 0.00 H new ATOM 0 HG SER A 103 36.642 1.797 -14.820 1.00 0.00 H new TER 1714 SER A 103