USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 573 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 17 GLN : amide:sc= -1.88! C(o=-2.2!,f=-11!) USER MOD Set 1.2: A 36 LYS NZ :NH3+ -140:sc= -0.349 (180deg=0) USER MOD Set 2.1: A 4 ASN :FLIP amide:sc= -1.99! C(o=-4.7!,f=-1.2!) USER MOD Set 2.2: A 62 GLN : amide:sc= 0.83 K(o=-1.2,f=-3) USER MOD Single : A 1 MET CE :methyl 154:sc= -0.157 (180deg=-0.98) USER MOD Single : A 1 MET N :NH3+ -136:sc= -2.04 (180deg=-3.67!) USER MOD Single : A 5 ASN :FLIP amide:sc= -7.63! C(o=-8.1!,f=-7.6!) USER MOD Single : A 7 LYS NZ :NH3+ 142:sc= 0.819! (180deg=-2.54!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -158:sc= 0.485! (180deg=-0.135) USER MOD Single : A 14 LYS NZ :NH3+ 155:sc= -0.169 (180deg=-1.05) USER MOD Single : A 16 SER OG : rot 91:sc= 1.09 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0.0861 USER MOD Single : A 29 GLN :FLIP amide:sc= 0 F(o=-1.1!,f=0) USER MOD Single : A 30 THR OG1 : rot 47:sc= 0.959 USER MOD Single : A 32 ASN : amide:sc= -1.33! C(o=-1.3!,f=-10!) USER MOD Single : A 37 ASN :FLIP amide:sc= -1.81 F(o=-2.5!,f=-1.8) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -3.66! C(o=-3.7!,f=-4.4!) USER MOD Single : A 42 SER OG : rot 99:sc= -0.813! USER MOD Single : A 44 GLN : amide:sc= -0.0128 K(o=-0.013,f=-1.3!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.188 K(o=-0.19,f=-2.7!) USER MOD Single : A 55 THR OG1 : rot -28:sc= -0.0208 USER MOD Single : A 64 GLN : amide:sc= -6.73! C(o=-6.7!,f=-23!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.213 9.352 -0.134 1.00 0.00 N ATOM 2 CA MET A 1 7.002 8.737 0.392 1.00 0.00 C ATOM 3 C MET A 1 5.884 8.798 -0.639 1.00 0.00 C ATOM 4 O MET A 1 5.505 7.788 -1.221 1.00 0.00 O ATOM 5 CB MET A 1 6.557 9.454 1.671 1.00 0.00 C ATOM 6 CG MET A 1 7.561 9.194 2.799 1.00 0.00 C ATOM 7 SD MET A 1 7.084 10.156 4.258 1.00 0.00 S ATOM 8 CE MET A 1 5.568 9.249 4.658 1.00 0.00 C ATOM 0 H1 MET A 1 9.033 8.755 0.096 1.00 0.00 H new ATOM 0 H2 MET A 1 8.133 9.448 -1.166 1.00 0.00 H new ATOM 0 H3 MET A 1 8.338 10.292 0.293 1.00 0.00 H new ATOM 0 HA MET A 1 7.219 7.694 0.621 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.475 10.525 1.487 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.568 9.105 1.967 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.586 8.132 3.042 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.565 9.471 2.479 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.358 9.343 5.723 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.736 9.660 4.086 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.696 8.196 4.405 1.00 0.00 H new ATOM 18 N ILE A 2 5.386 9.999 -0.878 1.00 0.00 N ATOM 19 CA ILE A 2 4.326 10.211 -1.847 1.00 0.00 C ATOM 20 C ILE A 2 4.824 9.832 -3.245 1.00 0.00 C ATOM 21 O ILE A 2 4.147 9.116 -3.980 1.00 0.00 O ATOM 22 CB ILE A 2 3.838 11.672 -1.798 1.00 0.00 C ATOM 23 CG1 ILE A 2 3.160 11.934 -0.447 1.00 0.00 C ATOM 24 CG2 ILE A 2 2.807 11.913 -2.908 1.00 0.00 C ATOM 25 CD1 ILE A 2 2.914 13.436 -0.276 1.00 0.00 C ATOM 0 H ILE A 2 5.702 10.848 -0.410 1.00 0.00 H new ATOM 0 HA ILE A 2 3.477 9.573 -1.602 1.00 0.00 H new ATOM 0 HB ILE A 2 4.692 12.336 -1.932 1.00 0.00 H new ATOM 0 HG12 ILE A 2 2.216 11.392 -0.392 1.00 0.00 H new ATOM 0 HG13 ILE A 2 3.788 11.564 0.364 1.00 0.00 H new ATOM 0 HG21 ILE A 2 2.465 12.947 -2.869 1.00 0.00 H new ATOM 0 HG22 ILE A 2 3.265 11.718 -3.878 1.00 0.00 H new ATOM 0 HG23 ILE A 2 1.958 11.245 -2.767 1.00 0.00 H new ATOM 0 HD11 ILE A 2 2.432 13.619 0.685 1.00 0.00 H new ATOM 0 HD12 ILE A 2 3.865 13.967 -0.312 1.00 0.00 H new ATOM 0 HD13 ILE A 2 2.269 13.793 -1.079 1.00 0.00 H new ATOM 37 N ILE A 3 6.053 10.232 -3.568 1.00 0.00 N ATOM 38 CA ILE A 3 6.651 9.869 -4.851 1.00 0.00 C ATOM 39 C ILE A 3 6.742 8.357 -4.955 1.00 0.00 C ATOM 40 O ILE A 3 6.682 7.789 -6.053 1.00 0.00 O ATOM 41 CB ILE A 3 8.062 10.478 -4.987 1.00 0.00 C ATOM 42 CG1 ILE A 3 8.966 9.988 -3.845 1.00 0.00 C ATOM 43 CG2 ILE A 3 7.998 12.003 -4.968 1.00 0.00 C ATOM 44 CD1 ILE A 3 10.393 10.497 -4.071 1.00 0.00 C ATOM 0 H ILE A 3 6.648 10.801 -2.966 1.00 0.00 H new ATOM 0 HA ILE A 3 6.024 10.261 -5.652 1.00 0.00 H new ATOM 0 HB ILE A 3 8.478 10.155 -5.941 1.00 0.00 H new ATOM 0 HG12 ILE A 3 8.588 10.346 -2.888 1.00 0.00 H new ATOM 0 HG13 ILE A 3 8.959 8.899 -3.803 1.00 0.00 H new ATOM 0 HG21 ILE A 3 9.004 12.411 -5.065 1.00 0.00 H new ATOM 0 HG22 ILE A 3 7.383 12.352 -5.798 1.00 0.00 H new ATOM 0 HG23 ILE A 3 7.561 12.337 -4.027 1.00 0.00 H new ATOM 0 HD11 ILE A 3 11.035 10.150 -3.262 1.00 0.00 H new ATOM 0 HD12 ILE A 3 10.769 10.117 -5.021 1.00 0.00 H new ATOM 0 HD13 ILE A 3 10.392 11.587 -4.092 1.00 0.00 H new ATOM 56 N ASN A 4 6.794 7.715 -3.799 1.00 0.00 N ATOM 57 CA ASN A 4 6.790 6.265 -3.710 1.00 0.00 C ATOM 58 C ASN A 4 5.420 5.785 -3.265 1.00 0.00 C ATOM 59 O ASN A 4 5.289 4.702 -2.708 1.00 0.00 O ATOM 60 CB ASN A 4 7.850 5.775 -2.725 1.00 0.00 C ATOM 61 CG ASN A 4 9.253 6.014 -3.270 1.00 0.00 C ATOM 62 OD1 ASN A 4 10.259 6.019 -2.454 1.00 0.00 O flip ATOM 63 ND2 ASN A 4 9.440 6.193 -4.479 1.00 0.00 N flip ATOM 0 H ASN A 4 6.840 8.186 -2.895 1.00 0.00 H new ATOM 0 HA ASN A 4 7.021 5.859 -4.695 1.00 0.00 H new ATOM 0 HB2 ASN A 4 7.733 6.292 -1.772 1.00 0.00 H new ATOM 0 HB3 ASN A 4 7.708 4.712 -2.531 1.00 0.00 H new ATOM 0 HD21 ASN A 4 8.649 6.189 -5.123 1.00 0.00 H new ATOM 0 HD22 ASN A 4 10.385 6.344 -4.832 1.00 0.00 H new ATOM 70 N ASN A 5 4.426 6.659 -3.417 1.00 0.00 N ATOM 71 CA ASN A 5 3.045 6.413 -2.975 1.00 0.00 C ATOM 72 C ASN A 5 2.780 4.932 -2.737 1.00 0.00 C ATOM 73 O ASN A 5 2.520 4.176 -3.684 1.00 0.00 O ATOM 74 CB ASN A 5 2.052 6.950 -4.016 1.00 0.00 C ATOM 75 CG ASN A 5 2.713 7.014 -5.389 1.00 0.00 C ATOM 76 OD1 ASN A 5 3.344 5.975 -5.847 1.00 0.00 O flip ATOM 77 ND2 ASN A 5 2.661 8.046 -6.058 1.00 0.00 N flip ATOM 0 H ASN A 5 4.554 7.571 -3.856 1.00 0.00 H new ATOM 0 HA ASN A 5 2.909 6.937 -2.029 1.00 0.00 H new ATOM 0 HB2 ASN A 5 1.173 6.307 -4.057 1.00 0.00 H new ATOM 0 HB3 ASN A 5 1.708 7.942 -3.723 1.00 0.00 H new ATOM 0 HD21 ASN A 5 2.166 8.862 -5.699 1.00 0.00 H new ATOM 0 HD22 ASN A 5 3.113 8.085 -6.971 1.00 0.00 H new ATOM 84 N LEU A 6 2.765 4.537 -1.465 1.00 0.00 N ATOM 85 CA LEU A 6 2.550 3.141 -1.088 1.00 0.00 C ATOM 86 C LEU A 6 1.218 2.665 -1.630 1.00 0.00 C ATOM 87 O LEU A 6 1.095 1.544 -2.129 1.00 0.00 O ATOM 88 CB LEU A 6 2.595 2.975 0.450 1.00 0.00 C ATOM 89 CG LEU A 6 2.904 1.508 0.866 1.00 0.00 C ATOM 90 CD1 LEU A 6 1.701 0.591 0.610 1.00 0.00 C ATOM 91 CD2 LEU A 6 4.127 0.970 0.112 1.00 0.00 C ATOM 0 H LEU A 6 2.900 5.168 -0.675 1.00 0.00 H new ATOM 0 HA LEU A 6 3.348 2.535 -1.517 1.00 0.00 H new ATOM 0 HB2 LEU A 6 3.355 3.638 0.865 1.00 0.00 H new ATOM 0 HB3 LEU A 6 1.639 3.280 0.876 1.00 0.00 H new ATOM 0 HG LEU A 6 3.118 1.514 1.935 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.949 -0.427 0.911 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.846 0.942 1.188 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.452 0.605 -0.451 1.00 0.00 H new ATOM 0 HD21 LEU A 6 4.322 -0.057 0.421 1.00 0.00 H new ATOM 0 HD22 LEU A 6 3.934 0.996 -0.960 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.995 1.588 0.339 1.00 0.00 H new ATOM 103 N LYS A 7 0.230 3.542 -1.597 1.00 0.00 N ATOM 104 CA LYS A 7 -1.067 3.201 -2.144 1.00 0.00 C ATOM 105 C LYS A 7 -0.911 2.702 -3.576 1.00 0.00 C ATOM 106 O LYS A 7 -1.440 1.648 -3.936 1.00 0.00 O ATOM 107 CB LYS A 7 -2.016 4.406 -2.078 1.00 0.00 C ATOM 108 CG LYS A 7 -1.481 5.562 -2.942 1.00 0.00 C ATOM 109 CD LYS A 7 -2.322 6.815 -2.681 1.00 0.00 C ATOM 110 CE LYS A 7 -1.804 7.508 -1.409 1.00 0.00 C ATOM 111 NZ LYS A 7 -2.710 8.609 -1.000 1.00 0.00 N ATOM 0 H LYS A 7 0.300 4.480 -1.204 1.00 0.00 H new ATOM 0 HA LYS A 7 -1.505 2.402 -1.546 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.008 4.115 -2.424 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.123 4.736 -1.045 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.435 5.755 -2.705 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.524 5.294 -3.998 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.261 7.494 -3.532 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.372 6.546 -2.563 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.722 6.780 -0.602 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.803 7.902 -1.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.780 8.634 0.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.332 9.515 -1.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -3.654 8.451 -1.407 1.00 0.00 H new ATOM 125 N LEU A 8 -0.135 3.417 -4.368 1.00 0.00 N ATOM 126 CA LEU A 8 0.159 2.965 -5.714 1.00 0.00 C ATOM 127 C LEU A 8 1.051 1.723 -5.682 1.00 0.00 C ATOM 128 O LEU A 8 0.815 0.766 -6.411 1.00 0.00 O ATOM 129 CB LEU A 8 0.832 4.071 -6.532 1.00 0.00 C ATOM 130 CG LEU A 8 -0.137 5.255 -6.709 1.00 0.00 C ATOM 131 CD1 LEU A 8 0.544 6.373 -7.504 1.00 0.00 C ATOM 132 CD2 LEU A 8 -1.407 4.803 -7.437 1.00 0.00 C ATOM 0 H LEU A 8 0.299 4.303 -4.107 1.00 0.00 H new ATOM 0 HA LEU A 8 -0.786 2.709 -6.193 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.740 4.405 -6.030 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.130 3.685 -7.507 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.412 5.629 -5.723 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.148 7.207 -7.625 1.00 0.00 H new ATOM 0 HD12 LEU A 8 1.431 6.712 -6.969 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.834 5.997 -8.485 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.081 5.652 -7.554 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.143 4.411 -8.419 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.902 4.024 -6.856 1.00 0.00 H new ATOM 144 N ILE A 9 2.053 1.738 -4.791 1.00 0.00 N ATOM 145 CA ILE A 9 3.051 0.656 -4.700 1.00 0.00 C ATOM 146 C ILE A 9 2.406 -0.708 -4.567 1.00 0.00 C ATOM 147 O ILE A 9 2.960 -1.704 -5.034 1.00 0.00 O ATOM 148 CB ILE A 9 4.036 0.909 -3.540 1.00 0.00 C ATOM 149 CG1 ILE A 9 4.890 2.147 -3.836 1.00 0.00 C ATOM 150 CG2 ILE A 9 4.958 -0.300 -3.338 1.00 0.00 C ATOM 151 CD1 ILE A 9 5.756 1.912 -5.080 1.00 0.00 C ATOM 0 H ILE A 9 2.196 2.491 -4.118 1.00 0.00 H new ATOM 0 HA ILE A 9 3.609 0.659 -5.636 1.00 0.00 H new ATOM 0 HB ILE A 9 3.456 1.070 -2.632 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.246 3.013 -3.991 1.00 0.00 H new ATOM 0 HG13 ILE A 9 5.525 2.372 -2.979 1.00 0.00 H new ATOM 0 HG21 ILE A 9 5.645 -0.101 -2.515 1.00 0.00 H new ATOM 0 HG22 ILE A 9 4.358 -1.180 -3.105 1.00 0.00 H new ATOM 0 HG23 ILE A 9 5.527 -0.480 -4.250 1.00 0.00 H new ATOM 0 HD11 ILE A 9 6.357 2.800 -5.278 1.00 0.00 H new ATOM 0 HD12 ILE A 9 6.413 1.059 -4.910 1.00 0.00 H new ATOM 0 HD13 ILE A 9 5.114 1.710 -5.937 1.00 0.00 H new ATOM 163 N ARG A 10 1.200 -0.749 -4.045 1.00 0.00 N ATOM 164 CA ARG A 10 0.466 -2.002 -4.001 1.00 0.00 C ATOM 165 C ARG A 10 0.454 -2.631 -5.404 1.00 0.00 C ATOM 166 O ARG A 10 0.341 -3.852 -5.551 1.00 0.00 O ATOM 167 CB ARG A 10 -0.958 -1.780 -3.460 1.00 0.00 C ATOM 168 CG ARG A 10 -0.903 -1.656 -1.917 1.00 0.00 C ATOM 169 CD ARG A 10 -1.405 -0.270 -1.471 1.00 0.00 C ATOM 170 NE ARG A 10 -2.841 -0.279 -1.137 1.00 0.00 N ATOM 171 CZ ARG A 10 -3.791 0.135 -1.993 1.00 0.00 C ATOM 172 NH1 ARG A 10 -3.474 0.480 -3.212 1.00 0.00 N ATOM 173 NH2 ARG A 10 -5.035 0.207 -1.605 1.00 0.00 N ATOM 0 H ARG A 10 0.710 0.054 -3.650 1.00 0.00 H new ATOM 0 HA ARG A 10 0.960 -2.693 -3.318 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.388 -0.878 -3.894 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.603 -2.611 -3.747 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -1.514 -2.435 -1.461 1.00 0.00 H new ATOM 0 HG3 ARG A 10 0.119 -1.809 -1.570 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -0.834 0.059 -0.603 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.223 0.454 -2.266 1.00 0.00 H new ATOM 0 HE ARG A 10 -3.126 -0.614 -0.217 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -2.502 0.436 -3.518 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -4.198 0.794 -3.858 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -5.287 -0.051 -0.651 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -5.755 0.521 -2.256 1.00 0.00 H new ATOM 187 N GLU A 11 0.681 -1.789 -6.423 1.00 0.00 N ATOM 188 CA GLU A 11 0.796 -2.251 -7.803 1.00 0.00 C ATOM 189 C GLU A 11 1.971 -3.210 -7.957 1.00 0.00 C ATOM 190 O GLU A 11 1.936 -4.121 -8.780 1.00 0.00 O ATOM 191 CB GLU A 11 0.967 -1.064 -8.774 1.00 0.00 C ATOM 192 CG GLU A 11 2.293 -0.314 -8.505 1.00 0.00 C ATOM 193 CD GLU A 11 3.071 -0.180 -9.791 1.00 0.00 C ATOM 194 OE1 GLU A 11 3.399 -1.194 -10.364 1.00 0.00 O ATOM 195 OE2 GLU A 11 3.326 0.932 -10.196 1.00 0.00 O ATOM 0 H GLU A 11 0.788 -0.781 -6.310 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.127 -2.776 -8.050 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.952 -1.426 -9.802 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.128 -0.377 -8.665 1.00 0.00 H new ATOM 0 HG2 GLU A 11 2.086 0.672 -8.089 1.00 0.00 H new ATOM 0 HG3 GLU A 11 2.884 -0.854 -7.766 1.00 0.00 H new ATOM 202 N LYS A 12 3.004 -3.009 -7.149 1.00 0.00 N ATOM 203 CA LYS A 12 4.196 -3.846 -7.213 1.00 0.00 C ATOM 204 C LYS A 12 3.804 -5.271 -6.898 1.00 0.00 C ATOM 205 O LYS A 12 4.259 -6.218 -7.542 1.00 0.00 O ATOM 206 CB LYS A 12 5.221 -3.383 -6.173 1.00 0.00 C ATOM 207 CG LYS A 12 5.665 -1.937 -6.446 1.00 0.00 C ATOM 208 CD LYS A 12 6.411 -1.831 -7.778 1.00 0.00 C ATOM 209 CE LYS A 12 6.849 -0.372 -7.971 1.00 0.00 C ATOM 210 NZ LYS A 12 7.668 -0.235 -9.197 1.00 0.00 N ATOM 0 H LYS A 12 3.041 -2.275 -6.442 1.00 0.00 H new ATOM 0 HA LYS A 12 4.632 -3.775 -8.209 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.789 -3.453 -5.175 1.00 0.00 H new ATOM 0 HB3 LYS A 12 6.088 -4.044 -6.192 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.793 -1.283 -6.461 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.309 -1.592 -5.637 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.278 -2.491 -7.781 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.768 -2.146 -8.600 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.972 0.271 -8.039 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.422 -0.040 -7.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.956 0.758 -9.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.514 -0.834 -9.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.110 -0.532 -10.023 1.00 0.00 H new ATOM 224 N LYS A 13 2.931 -5.411 -5.921 1.00 0.00 N ATOM 225 CA LYS A 13 2.417 -6.707 -5.537 1.00 0.00 C ATOM 226 C LYS A 13 1.159 -7.023 -6.342 1.00 0.00 C ATOM 227 O LYS A 13 0.652 -8.147 -6.302 1.00 0.00 O ATOM 228 CB LYS A 13 2.110 -6.732 -4.047 1.00 0.00 C ATOM 229 CG LYS A 13 2.139 -8.171 -3.544 1.00 0.00 C ATOM 230 CD LYS A 13 3.547 -8.503 -3.041 1.00 0.00 C ATOM 231 CE LYS A 13 3.826 -9.988 -3.260 1.00 0.00 C ATOM 232 NZ LYS A 13 2.675 -10.796 -2.760 1.00 0.00 N ATOM 0 H LYS A 13 2.561 -4.634 -5.374 1.00 0.00 H new ATOM 0 HA LYS A 13 3.172 -7.465 -5.747 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.840 -6.132 -3.505 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.131 -6.290 -3.859 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.413 -8.303 -2.741 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.856 -8.854 -4.345 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.286 -7.901 -3.570 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.635 -8.257 -1.983 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.988 -10.185 -4.320 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.739 -10.277 -2.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 2.993 -11.766 -2.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.302 -10.367 -1.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 1.927 -10.819 -3.482 1.00 0.00 H new ATOM 246 N LYS A 14 0.677 -6.017 -7.074 1.00 0.00 N ATOM 247 CA LYS A 14 -0.504 -6.126 -7.934 1.00 0.00 C ATOM 248 C LYS A 14 -1.727 -6.663 -7.192 1.00 0.00 C ATOM 249 O LYS A 14 -2.621 -7.263 -7.799 1.00 0.00 O ATOM 250 CB LYS A 14 -0.178 -6.965 -9.191 1.00 0.00 C ATOM 251 CG LYS A 14 -0.465 -8.469 -8.968 1.00 0.00 C ATOM 252 CD LYS A 14 0.712 -9.297 -9.497 1.00 0.00 C ATOM 253 CE LYS A 14 0.405 -10.797 -9.380 1.00 0.00 C ATOM 254 NZ LYS A 14 -0.955 -11.075 -9.915 1.00 0.00 N ATOM 0 H LYS A 14 1.102 -5.090 -7.087 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.770 -5.118 -8.253 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.768 -6.603 -10.033 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.871 -6.830 -9.456 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.616 -8.668 -7.907 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.384 -8.755 -9.480 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.908 -9.039 -10.538 1.00 0.00 H new ATOM 0 HD3 LYS A 14 1.615 -9.059 -8.934 1.00 0.00 H new ATOM 0 HE2 LYS A 14 1.148 -11.374 -9.931 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.467 -11.110 -8.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.009 -12.065 -10.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.662 -10.910 -9.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.147 -10.445 -10.720 1.00 0.00 H new ATOM 268 N ILE A 15 -1.815 -6.368 -5.909 1.00 0.00 N ATOM 269 CA ILE A 15 -2.971 -6.774 -5.118 1.00 0.00 C ATOM 270 C ILE A 15 -3.951 -5.617 -4.917 1.00 0.00 C ATOM 271 O ILE A 15 -3.546 -4.467 -4.683 1.00 0.00 O ATOM 272 CB ILE A 15 -2.531 -7.395 -3.784 1.00 0.00 C ATOM 273 CG1 ILE A 15 -1.668 -6.410 -2.994 1.00 0.00 C ATOM 274 CG2 ILE A 15 -1.724 -8.671 -4.048 1.00 0.00 C ATOM 275 CD1 ILE A 15 -1.326 -7.031 -1.637 1.00 0.00 C ATOM 0 H ILE A 15 -1.105 -5.851 -5.390 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.506 -7.543 -5.676 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.422 -7.634 -3.203 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.756 -6.182 -3.545 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.200 -5.469 -2.855 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.414 -9.108 -3.099 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.341 -9.386 -4.592 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.842 -8.428 -4.641 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.710 -6.337 -1.064 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.245 -7.238 -1.089 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.778 -7.961 -1.790 1.00 0.00 H new ATOM 287 N SER A 16 -5.224 -5.910 -5.125 1.00 0.00 N ATOM 288 CA SER A 16 -6.283 -4.909 -5.077 1.00 0.00 C ATOM 289 C SER A 16 -6.684 -4.576 -3.632 1.00 0.00 C ATOM 290 O SER A 16 -6.371 -5.321 -2.695 1.00 0.00 O ATOM 291 CB SER A 16 -7.504 -5.418 -5.851 1.00 0.00 C ATOM 292 OG SER A 16 -7.076 -6.079 -7.046 1.00 0.00 O ATOM 0 H SER A 16 -5.556 -6.852 -5.333 1.00 0.00 H new ATOM 0 HA SER A 16 -5.905 -3.995 -5.536 1.00 0.00 H new ATOM 0 HB2 SER A 16 -8.080 -6.105 -5.230 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.162 -4.585 -6.100 1.00 0.00 H new ATOM 0 HG SER A 16 -6.947 -7.033 -6.864 1.00 0.00 H new ATOM 298 N GLN A 17 -7.457 -3.504 -3.470 1.00 0.00 N ATOM 299 CA GLN A 17 -7.965 -3.109 -2.159 1.00 0.00 C ATOM 300 C GLN A 17 -8.741 -4.258 -1.538 1.00 0.00 C ATOM 301 O GLN A 17 -8.543 -4.600 -0.369 1.00 0.00 O ATOM 302 CB GLN A 17 -8.885 -1.885 -2.300 1.00 0.00 C ATOM 303 CG GLN A 17 -8.120 -0.602 -1.947 1.00 0.00 C ATOM 304 CD GLN A 17 -7.722 0.156 -3.207 1.00 0.00 C ATOM 305 OE1 GLN A 17 -6.642 0.747 -3.252 1.00 0.00 O ATOM 306 NE2 GLN A 17 -8.521 0.188 -4.227 1.00 0.00 N ATOM 0 H GLN A 17 -7.746 -2.892 -4.233 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.122 -2.854 -1.516 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -9.264 -1.822 -3.320 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -9.749 -1.993 -1.645 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -8.740 0.034 -1.315 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -7.229 -0.852 -1.371 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -9.415 -0.301 -4.190 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -8.256 0.702 -5.067 1.00 0.00 H new ATOM 315 N SER A 18 -9.579 -4.886 -2.337 1.00 0.00 N ATOM 316 CA SER A 18 -10.346 -6.024 -1.881 1.00 0.00 C ATOM 317 C SER A 18 -9.405 -7.132 -1.422 1.00 0.00 C ATOM 318 O SER A 18 -9.646 -7.781 -0.407 1.00 0.00 O ATOM 319 CB SER A 18 -11.255 -6.529 -3.000 1.00 0.00 C ATOM 320 OG SER A 18 -12.010 -5.431 -3.522 1.00 0.00 O ATOM 0 H SER A 18 -9.746 -4.625 -3.309 1.00 0.00 H new ATOM 0 HA SER A 18 -10.969 -5.719 -1.040 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.660 -6.986 -3.791 1.00 0.00 H new ATOM 0 HB3 SER A 18 -11.926 -7.300 -2.620 1.00 0.00 H new ATOM 0 HG SER A 18 -12.594 -5.749 -4.242 1.00 0.00 H new ATOM 326 N GLU A 19 -8.323 -7.327 -2.167 1.00 0.00 N ATOM 327 CA GLU A 19 -7.345 -8.345 -1.825 1.00 0.00 C ATOM 328 C GLU A 19 -6.674 -7.976 -0.511 1.00 0.00 C ATOM 329 O GLU A 19 -6.550 -8.805 0.393 1.00 0.00 O ATOM 330 CB GLU A 19 -6.284 -8.436 -2.929 1.00 0.00 C ATOM 331 CG GLU A 19 -6.931 -8.935 -4.226 1.00 0.00 C ATOM 332 CD GLU A 19 -5.910 -8.941 -5.340 1.00 0.00 C ATOM 333 OE1 GLU A 19 -5.040 -9.775 -5.316 1.00 0.00 O ATOM 334 OE2 GLU A 19 -6.024 -8.119 -6.219 1.00 0.00 O ATOM 0 H GLU A 19 -8.104 -6.794 -3.009 1.00 0.00 H new ATOM 0 HA GLU A 19 -7.846 -9.308 -1.726 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.829 -7.459 -3.091 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.486 -9.113 -2.625 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.330 -9.939 -4.081 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.771 -8.294 -4.494 1.00 0.00 H new ATOM 341 N LEU A 20 -6.298 -6.705 -0.392 1.00 0.00 N ATOM 342 CA LEU A 20 -5.688 -6.200 0.834 1.00 0.00 C ATOM 343 C LEU A 20 -6.673 -6.300 1.985 1.00 0.00 C ATOM 344 O LEU A 20 -6.330 -6.736 3.086 1.00 0.00 O ATOM 345 CB LEU A 20 -5.294 -4.727 0.643 1.00 0.00 C ATOM 346 CG LEU A 20 -4.114 -4.611 -0.332 1.00 0.00 C ATOM 347 CD1 LEU A 20 -3.942 -3.150 -0.754 1.00 0.00 C ATOM 348 CD2 LEU A 20 -2.832 -5.075 0.367 1.00 0.00 C ATOM 0 H LEU A 20 -6.405 -6.007 -1.128 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.804 -6.796 1.059 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -6.145 -4.163 0.262 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.025 -4.288 1.604 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.308 -5.230 -1.208 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.104 -3.067 -1.446 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.852 -2.803 -1.243 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.747 -2.538 0.126 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.992 -4.994 -0.323 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.647 -4.449 1.240 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.944 -6.113 0.682 1.00 0.00 H new ATOM 360 N ALA A 21 -7.903 -5.906 1.715 1.00 0.00 N ATOM 361 CA ALA A 21 -8.953 -5.951 2.713 1.00 0.00 C ATOM 362 C ALA A 21 -9.327 -7.379 3.048 1.00 0.00 C ATOM 363 O ALA A 21 -9.642 -7.693 4.197 1.00 0.00 O ATOM 364 CB ALA A 21 -10.177 -5.191 2.239 1.00 0.00 C ATOM 0 H ALA A 21 -8.200 -5.549 0.807 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.571 -5.475 3.616 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -10.953 -5.238 3.003 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.910 -4.150 2.055 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.549 -5.638 1.317 1.00 0.00 H new ATOM 370 N ALA A 22 -9.328 -8.237 2.037 1.00 0.00 N ATOM 371 CA ALA A 22 -9.732 -9.621 2.227 1.00 0.00 C ATOM 372 C ALA A 22 -8.944 -10.242 3.354 1.00 0.00 C ATOM 373 O ALA A 22 -9.447 -11.100 4.076 1.00 0.00 O ATOM 374 CB ALA A 22 -9.532 -10.441 0.948 1.00 0.00 C ATOM 0 H ALA A 22 -9.055 -8.000 1.083 1.00 0.00 H new ATOM 0 HA ALA A 22 -10.793 -9.627 2.476 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.843 -11.471 1.124 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.131 -10.013 0.144 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.479 -10.423 0.665 1.00 0.00 H new ATOM 380 N LEU A 23 -7.710 -9.819 3.510 1.00 0.00 N ATOM 381 CA LEU A 23 -6.907 -10.322 4.600 1.00 0.00 C ATOM 382 C LEU A 23 -7.551 -9.904 5.913 1.00 0.00 C ATOM 383 O LEU A 23 -7.644 -10.686 6.858 1.00 0.00 O ATOM 384 CB LEU A 23 -5.495 -9.732 4.526 1.00 0.00 C ATOM 385 CG LEU A 23 -4.766 -10.265 3.283 1.00 0.00 C ATOM 386 CD1 LEU A 23 -3.423 -9.551 3.134 1.00 0.00 C ATOM 387 CD2 LEU A 23 -4.530 -11.775 3.414 1.00 0.00 C ATOM 0 H LEU A 23 -7.247 -9.139 2.907 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.845 -11.408 4.535 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.548 -8.644 4.488 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.936 -9.992 5.425 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.382 -10.077 2.404 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.906 -9.929 2.252 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.591 -8.480 3.025 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.813 -9.734 4.019 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.013 -12.141 2.527 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.921 -11.973 4.296 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.488 -12.286 3.512 1.00 0.00 H new ATOM 399 N LEU A 24 -7.982 -8.655 5.961 1.00 0.00 N ATOM 400 CA LEU A 24 -8.614 -8.099 7.144 1.00 0.00 C ATOM 401 C LEU A 24 -10.073 -8.562 7.279 1.00 0.00 C ATOM 402 O LEU A 24 -10.616 -8.624 8.385 1.00 0.00 O ATOM 403 CB LEU A 24 -8.570 -6.573 7.075 1.00 0.00 C ATOM 404 CG LEU A 24 -7.134 -6.094 6.810 1.00 0.00 C ATOM 405 CD1 LEU A 24 -7.117 -4.574 6.708 1.00 0.00 C ATOM 406 CD2 LEU A 24 -6.200 -6.550 7.935 1.00 0.00 C ATOM 0 H LEU A 24 -7.904 -8.000 5.183 1.00 0.00 H new ATOM 0 HA LEU A 24 -8.066 -8.454 8.016 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.231 -6.218 6.284 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -8.936 -6.149 8.010 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.784 -6.527 5.873 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.099 -4.233 6.520 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.763 -4.257 5.889 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.477 -4.143 7.642 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.187 -6.202 7.731 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.542 -6.135 8.883 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.205 -7.638 7.993 1.00 0.00 H new ATOM 418 N GLU A 25 -10.728 -8.779 6.138 1.00 0.00 N ATOM 419 CA GLU A 25 -12.165 -9.092 6.101 1.00 0.00 C ATOM 420 C GLU A 25 -12.974 -8.054 6.895 1.00 0.00 C ATOM 421 O GLU A 25 -13.797 -8.416 7.750 1.00 0.00 O ATOM 422 CB GLU A 25 -12.459 -10.503 6.647 1.00 0.00 C ATOM 423 CG GLU A 25 -11.866 -11.572 5.721 1.00 0.00 C ATOM 424 CD GLU A 25 -12.221 -12.974 6.202 1.00 0.00 C ATOM 425 OE1 GLU A 25 -12.974 -13.096 7.150 1.00 0.00 O ATOM 426 OE2 GLU A 25 -11.749 -13.912 5.605 1.00 0.00 O ATOM 0 H GLU A 25 -10.286 -8.744 5.219 1.00 0.00 H new ATOM 0 HA GLU A 25 -12.468 -9.060 5.055 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -12.039 -10.607 7.648 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -13.536 -10.648 6.736 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -12.239 -11.427 4.707 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -10.782 -11.462 5.681 1.00 0.00 H new ATOM 433 N VAL A 26 -12.706 -6.773 6.662 1.00 0.00 N ATOM 434 CA VAL A 26 -13.390 -5.710 7.405 1.00 0.00 C ATOM 435 C VAL A 26 -13.749 -4.521 6.522 1.00 0.00 C ATOM 436 O VAL A 26 -13.477 -4.505 5.318 1.00 0.00 O ATOM 437 CB VAL A 26 -12.542 -5.227 8.596 1.00 0.00 C ATOM 438 CG1 VAL A 26 -12.580 -6.255 9.721 1.00 0.00 C ATOM 439 CG2 VAL A 26 -11.094 -5.000 8.161 1.00 0.00 C ATOM 0 H VAL A 26 -12.029 -6.444 5.974 1.00 0.00 H new ATOM 0 HA VAL A 26 -14.317 -6.148 7.776 1.00 0.00 H new ATOM 0 HB VAL A 26 -12.958 -4.286 8.955 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -11.977 -5.902 10.557 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -13.609 -6.396 10.050 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -12.181 -7.203 9.361 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -10.507 -4.659 9.014 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.677 -5.934 7.784 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -11.064 -4.245 7.375 1.00 0.00 H new ATOM 449 N SER A 27 -14.278 -3.495 7.164 1.00 0.00 N ATOM 450 CA SER A 27 -14.638 -2.239 6.528 1.00 0.00 C ATOM 451 C SER A 27 -13.437 -1.617 5.816 1.00 0.00 C ATOM 452 O SER A 27 -13.570 -0.593 5.130 1.00 0.00 O ATOM 453 CB SER A 27 -15.170 -1.277 7.587 1.00 0.00 C ATOM 454 OG SER A 27 -15.808 -2.034 8.630 1.00 0.00 O ATOM 0 H SER A 27 -14.474 -3.512 8.165 1.00 0.00 H new ATOM 0 HA SER A 27 -15.407 -2.433 5.781 1.00 0.00 H new ATOM 0 HB2 SER A 27 -14.355 -0.682 7.999 1.00 0.00 H new ATOM 0 HB3 SER A 27 -15.879 -0.580 7.140 1.00 0.00 H new ATOM 0 HG SER A 27 -16.151 -1.423 9.315 1.00 0.00 H new ATOM 460 N ARG A 28 -12.247 -2.140 6.106 1.00 0.00 N ATOM 461 CA ARG A 28 -11.008 -1.552 5.626 1.00 0.00 C ATOM 462 C ARG A 28 -11.130 -1.086 4.177 1.00 0.00 C ATOM 463 O ARG A 28 -10.583 -0.052 3.811 1.00 0.00 O ATOM 464 CB ARG A 28 -9.815 -2.515 5.781 1.00 0.00 C ATOM 465 CG ARG A 28 -8.638 -1.739 6.394 1.00 0.00 C ATOM 466 CD ARG A 28 -8.851 -1.625 7.913 1.00 0.00 C ATOM 467 NE ARG A 28 -7.948 -0.634 8.496 1.00 0.00 N ATOM 468 CZ ARG A 28 -7.925 -0.406 9.811 1.00 0.00 C ATOM 469 NH1 ARG A 28 -8.677 -1.114 10.597 1.00 0.00 N ATOM 470 NH2 ARG A 28 -7.156 0.523 10.302 1.00 0.00 N ATOM 0 H ARG A 28 -12.120 -2.976 6.676 1.00 0.00 H new ATOM 0 HA ARG A 28 -10.817 -0.679 6.250 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -10.087 -3.356 6.419 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -9.533 -2.928 4.812 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -7.699 -2.250 6.183 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -8.568 -0.747 5.948 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -9.884 -1.346 8.119 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -8.683 -2.595 8.381 1.00 0.00 H new ATOM 0 HE ARG A 28 -7.323 -0.107 7.886 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -9.280 -1.839 10.209 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -8.665 -0.945 11.603 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -6.568 1.080 9.681 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -7.141 0.694 11.307 1.00 0.00 H new ATOM 484 N GLN A 29 -11.885 -1.819 3.367 1.00 0.00 N ATOM 485 CA GLN A 29 -12.048 -1.440 1.962 1.00 0.00 C ATOM 486 C GLN A 29 -12.549 0.001 1.864 1.00 0.00 C ATOM 487 O GLN A 29 -12.024 0.803 1.085 1.00 0.00 O ATOM 488 CB GLN A 29 -13.084 -2.347 1.280 1.00 0.00 C ATOM 489 CG GLN A 29 -12.594 -3.799 1.212 1.00 0.00 C ATOM 490 CD GLN A 29 -13.656 -4.671 0.541 1.00 0.00 C ATOM 491 OE1 GLN A 29 -14.753 -4.128 0.097 1.00 0.00 O flip ATOM 492 NE2 GLN A 29 -13.475 -5.883 0.411 1.00 0.00 N flip ATOM 0 H GLN A 29 -12.386 -2.662 3.647 1.00 0.00 H new ATOM 0 HA GLN A 29 -11.080 -1.542 1.471 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -14.025 -2.304 1.828 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.284 -1.981 0.273 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -11.660 -3.852 0.653 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -12.386 -4.170 2.216 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -12.616 -6.311 0.758 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -14.184 -6.459 -0.044 1.00 0.00 H new ATOM 501 N THR A 30 -13.553 0.323 2.668 1.00 0.00 N ATOM 502 CA THR A 30 -14.144 1.652 2.667 1.00 0.00 C ATOM 503 C THR A 30 -13.175 2.725 3.188 1.00 0.00 C ATOM 504 O THR A 30 -13.090 3.823 2.622 1.00 0.00 O ATOM 505 CB THR A 30 -15.467 1.654 3.452 1.00 0.00 C ATOM 506 OG1 THR A 30 -15.499 0.541 4.355 1.00 0.00 O ATOM 507 CG2 THR A 30 -16.647 1.543 2.479 1.00 0.00 C ATOM 0 H THR A 30 -13.977 -0.324 3.333 1.00 0.00 H new ATOM 0 HA THR A 30 -14.360 1.913 1.631 1.00 0.00 H new ATOM 0 HB THR A 30 -15.542 2.584 4.015 1.00 0.00 H new ATOM 0 HG1 THR A 30 -14.648 0.487 4.837 1.00 0.00 H new ATOM 0 HG21 THR A 30 -17.582 1.545 3.039 1.00 0.00 H new ATOM 0 HG22 THR A 30 -16.634 2.390 1.793 1.00 0.00 H new ATOM 0 HG23 THR A 30 -16.565 0.615 1.912 1.00 0.00 H new ATOM 515 N ILE A 31 -12.434 2.410 4.245 1.00 0.00 N ATOM 516 CA ILE A 31 -11.476 3.367 4.788 1.00 0.00 C ATOM 517 C ILE A 31 -10.201 3.397 3.964 1.00 0.00 C ATOM 518 O ILE A 31 -9.491 4.406 3.946 1.00 0.00 O ATOM 519 CB ILE A 31 -11.154 3.078 6.259 1.00 0.00 C ATOM 520 CG1 ILE A 31 -10.622 1.666 6.409 1.00 0.00 C ATOM 521 CG2 ILE A 31 -12.404 3.229 7.110 1.00 0.00 C ATOM 522 CD1 ILE A 31 -10.124 1.462 7.838 1.00 0.00 C ATOM 0 H ILE A 31 -12.476 1.517 4.736 1.00 0.00 H new ATOM 0 HA ILE A 31 -11.944 4.350 4.735 1.00 0.00 H new ATOM 0 HB ILE A 31 -10.399 3.790 6.592 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -11.405 0.944 6.178 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -9.811 1.494 5.701 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -12.162 3.021 8.152 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -12.783 4.247 7.022 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -13.164 2.527 6.767 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -9.741 0.448 7.948 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -9.328 2.176 8.051 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -10.947 1.617 8.536 1.00 0.00 H new ATOM 534 N ASN A 32 -9.932 2.317 3.237 1.00 0.00 N ATOM 535 CA ASN A 32 -8.745 2.280 2.396 1.00 0.00 C ATOM 536 C ASN A 32 -8.840 3.380 1.365 1.00 0.00 C ATOM 537 O ASN A 32 -7.835 3.951 0.948 1.00 0.00 O ATOM 538 CB ASN A 32 -8.538 0.916 1.718 1.00 0.00 C ATOM 539 CG ASN A 32 -7.036 0.637 1.579 1.00 0.00 C ATOM 540 OD1 ASN A 32 -6.531 0.385 0.471 1.00 0.00 O ATOM 541 ND2 ASN A 32 -6.281 0.664 2.638 1.00 0.00 N ATOM 0 H ASN A 32 -10.506 1.474 3.213 1.00 0.00 H new ATOM 0 HA ASN A 32 -7.875 2.436 3.034 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -9.012 0.130 2.306 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -9.012 0.910 0.737 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -5.281 0.479 2.556 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -6.689 0.870 3.550 1.00 0.00 H new ATOM 548 N GLY A 33 -10.072 3.735 1.015 1.00 0.00 N ATOM 549 CA GLY A 33 -10.304 4.841 0.103 1.00 0.00 C ATOM 550 C GLY A 33 -9.657 6.097 0.655 1.00 0.00 C ATOM 551 O GLY A 33 -8.875 6.754 -0.031 1.00 0.00 O ATOM 0 H GLY A 33 -10.918 3.274 1.349 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -9.892 4.609 -0.879 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -11.374 4.999 -0.029 1.00 0.00 H new ATOM 555 N ILE A 34 -9.847 6.325 1.944 1.00 0.00 N ATOM 556 CA ILE A 34 -9.165 7.405 2.634 1.00 0.00 C ATOM 557 C ILE A 34 -7.667 7.133 2.628 1.00 0.00 C ATOM 558 O ILE A 34 -6.856 8.043 2.409 1.00 0.00 O ATOM 559 CB ILE A 34 -9.685 7.545 4.079 1.00 0.00 C ATOM 560 CG1 ILE A 34 -11.157 7.988 4.069 1.00 0.00 C ATOM 561 CG2 ILE A 34 -8.856 8.590 4.838 1.00 0.00 C ATOM 562 CD1 ILE A 34 -11.302 9.368 3.410 1.00 0.00 C ATOM 0 H ILE A 34 -10.470 5.774 2.534 1.00 0.00 H new ATOM 0 HA ILE A 34 -9.365 8.344 2.117 1.00 0.00 H new ATOM 0 HB ILE A 34 -9.597 6.578 4.574 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -11.759 7.256 3.530 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -11.538 8.024 5.089 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -9.231 8.682 5.857 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.812 8.278 4.862 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.936 9.553 4.334 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -12.351 9.664 3.413 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -10.717 10.100 3.967 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -10.941 9.320 2.383 1.00 0.00 H new ATOM 574 N GLU A 35 -7.312 5.880 2.887 1.00 0.00 N ATOM 575 CA GLU A 35 -5.919 5.473 2.946 1.00 0.00 C ATOM 576 C GLU A 35 -5.234 5.726 1.609 1.00 0.00 C ATOM 577 O GLU A 35 -4.023 5.919 1.557 1.00 0.00 O ATOM 578 CB GLU A 35 -5.788 3.992 3.304 1.00 0.00 C ATOM 579 CG GLU A 35 -6.295 3.726 4.728 1.00 0.00 C ATOM 580 CD GLU A 35 -5.971 2.296 5.110 1.00 0.00 C ATOM 581 OE1 GLU A 35 -4.792 1.996 5.252 1.00 0.00 O ATOM 582 OE2 GLU A 35 -6.889 1.520 5.267 1.00 0.00 O ATOM 0 H GLU A 35 -7.977 5.126 3.060 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.438 6.066 3.723 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.355 3.390 2.594 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.746 3.685 3.221 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.828 4.418 5.429 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.370 3.895 4.782 1.00 0.00 H new ATOM 589 N LYS A 36 -5.987 5.608 0.521 1.00 0.00 N ATOM 590 CA LYS A 36 -5.419 5.823 -0.800 1.00 0.00 C ATOM 591 C LYS A 36 -5.723 7.233 -1.326 1.00 0.00 C ATOM 592 O LYS A 36 -4.818 7.952 -1.752 1.00 0.00 O ATOM 593 CB LYS A 36 -5.871 4.738 -1.805 1.00 0.00 C ATOM 594 CG LYS A 36 -7.376 4.847 -2.093 1.00 0.00 C ATOM 595 CD LYS A 36 -7.790 3.741 -3.075 1.00 0.00 C ATOM 596 CE LYS A 36 -9.287 3.871 -3.401 1.00 0.00 C ATOM 597 NZ LYS A 36 -9.664 2.884 -4.435 1.00 0.00 N ATOM 0 H LYS A 36 -6.978 5.368 0.528 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.337 5.738 -0.697 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.311 4.842 -2.734 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.644 3.750 -1.405 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.942 4.756 -1.166 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.607 5.826 -2.513 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.201 3.814 -3.989 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.586 2.762 -2.642 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.880 3.711 -2.500 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.506 4.880 -3.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.326 3.321 -5.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.812 2.570 -4.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.119 2.065 -3.984 1.00 0.00 H new ATOM 611 N ASN A 37 -6.989 7.620 -1.322 1.00 0.00 N ATOM 612 CA ASN A 37 -7.368 8.927 -1.854 1.00 0.00 C ATOM 613 C ASN A 37 -6.807 10.075 -1.032 1.00 0.00 C ATOM 614 O ASN A 37 -6.319 11.061 -1.583 1.00 0.00 O ATOM 615 CB ASN A 37 -8.895 9.065 -1.961 1.00 0.00 C ATOM 616 CG ASN A 37 -9.269 10.502 -2.336 1.00 0.00 C ATOM 617 OD1 ASN A 37 -8.441 11.229 -3.013 1.00 0.00 O flip ATOM 618 ND2 ASN A 37 -10.348 10.978 -1.987 1.00 0.00 N flip ATOM 0 H ASN A 37 -7.763 7.061 -0.963 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.932 8.986 -2.851 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -9.279 8.374 -2.711 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.360 8.796 -1.012 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -11.007 10.411 -1.453 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -10.584 11.940 -2.232 1.00 0.00 H new ATOM 625 N LYS A 38 -6.957 9.994 0.277 1.00 0.00 N ATOM 626 CA LYS A 38 -6.582 11.110 1.137 1.00 0.00 C ATOM 627 C LYS A 38 -5.171 10.958 1.682 1.00 0.00 C ATOM 628 O LYS A 38 -4.348 11.872 1.587 1.00 0.00 O ATOM 629 CB LYS A 38 -7.546 11.199 2.325 1.00 0.00 C ATOM 630 CG LYS A 38 -9.006 11.328 1.859 1.00 0.00 C ATOM 631 CD LYS A 38 -9.224 12.620 1.069 1.00 0.00 C ATOM 632 CE LYS A 38 -10.718 12.747 0.735 1.00 0.00 C ATOM 633 NZ LYS A 38 -10.982 14.059 0.102 1.00 0.00 N ATOM 0 H LYS A 38 -7.330 9.181 0.767 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.629 12.013 0.529 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -7.439 10.311 2.949 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -7.284 12.057 2.944 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.269 10.471 1.239 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.669 11.312 2.724 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.893 13.480 1.652 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -8.632 12.608 0.154 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.019 11.942 0.064 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.313 12.645 1.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -11.994 14.139 -0.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -10.711 14.821 0.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -10.427 14.140 -0.774 1.00 0.00 H new ATOM 647 N TYR A 39 -4.955 9.863 2.370 1.00 0.00 N ATOM 648 CA TYR A 39 -3.723 9.627 3.114 1.00 0.00 C ATOM 649 C TYR A 39 -2.863 8.585 2.446 1.00 0.00 C ATOM 650 O TYR A 39 -3.140 8.152 1.322 1.00 0.00 O ATOM 651 CB TYR A 39 -4.046 9.177 4.552 1.00 0.00 C ATOM 652 CG TYR A 39 -4.543 10.350 5.369 1.00 0.00 C ATOM 653 CD1 TYR A 39 -5.906 10.654 5.416 1.00 0.00 C ATOM 654 CD2 TYR A 39 -3.629 11.128 6.086 1.00 0.00 C ATOM 655 CE1 TYR A 39 -6.353 11.738 6.182 1.00 0.00 C ATOM 656 CE2 TYR A 39 -4.073 12.207 6.847 1.00 0.00 C ATOM 657 CZ TYR A 39 -5.433 12.514 6.897 1.00 0.00 C ATOM 658 OH TYR A 39 -5.866 13.582 7.652 1.00 0.00 O ATOM 0 H TYR A 39 -5.629 9.100 2.435 1.00 0.00 H new ATOM 0 HA TYR A 39 -3.170 10.566 3.137 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -4.801 8.391 4.534 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -3.156 8.752 5.016 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -6.613 10.054 4.863 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -2.576 10.892 6.050 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -7.406 11.975 6.221 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -3.364 12.806 7.399 1.00 0.00 H new ATOM 0 HH TYR A 39 -5.098 14.011 8.083 1.00 0.00 H new ATOM 668 N ASN A 40 -1.821 8.180 3.154 1.00 0.00 N ATOM 669 CA ASN A 40 -0.984 7.068 2.747 1.00 0.00 C ATOM 670 C ASN A 40 -1.552 5.818 3.406 1.00 0.00 C ATOM 671 O ASN A 40 -2.167 5.917 4.467 1.00 0.00 O ATOM 672 CB ASN A 40 0.464 7.287 3.224 1.00 0.00 C ATOM 673 CG ASN A 40 1.312 6.051 2.933 1.00 0.00 C ATOM 674 OD1 ASN A 40 1.990 5.993 1.905 1.00 0.00 O ATOM 675 ND2 ASN A 40 1.306 5.052 3.757 1.00 0.00 N ATOM 0 H ASN A 40 -1.533 8.616 4.030 1.00 0.00 H new ATOM 0 HA ASN A 40 -0.973 6.974 1.661 1.00 0.00 H new ATOM 0 HB2 ASN A 40 0.891 8.156 2.723 1.00 0.00 H new ATOM 0 HB3 ASN A 40 0.473 7.499 4.293 1.00 0.00 H new ATOM 0 HD21 ASN A 40 1.861 4.221 3.555 1.00 0.00 H new ATOM 0 HD22 ASN A 40 0.746 5.097 4.608 1.00 0.00 H new ATOM 682 N PRO A 41 -1.349 4.660 2.841 1.00 0.00 N ATOM 683 CA PRO A 41 -1.879 3.409 3.465 1.00 0.00 C ATOM 684 C PRO A 41 -1.340 3.216 4.873 1.00 0.00 C ATOM 685 O PRO A 41 -0.210 3.619 5.179 1.00 0.00 O ATOM 686 CB PRO A 41 -1.411 2.305 2.521 1.00 0.00 C ATOM 687 CG PRO A 41 -1.315 2.979 1.190 1.00 0.00 C ATOM 688 CD PRO A 41 -0.872 4.416 1.469 1.00 0.00 C ATOM 0 HA PRO A 41 -2.963 3.424 3.582 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -0.449 1.897 2.831 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -2.117 1.475 2.497 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -0.598 2.469 0.546 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -2.275 2.961 0.675 1.00 0.00 H new ATOM 0 HD2 PRO A 41 0.210 4.525 1.395 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -1.312 5.117 0.760 1.00 0.00 H new ATOM 696 N SER A 42 -2.182 2.697 5.753 1.00 0.00 N ATOM 697 CA SER A 42 -1.815 2.568 7.149 1.00 0.00 C ATOM 698 C SER A 42 -0.598 1.657 7.294 1.00 0.00 C ATOM 699 O SER A 42 -0.605 0.515 6.820 1.00 0.00 O ATOM 700 CB SER A 42 -3.001 2.003 7.937 1.00 0.00 C ATOM 701 OG SER A 42 -4.205 2.647 7.506 1.00 0.00 O ATOM 0 H SER A 42 -3.118 2.361 5.525 1.00 0.00 H new ATOM 0 HA SER A 42 -1.557 3.550 7.546 1.00 0.00 H new ATOM 0 HB2 SER A 42 -3.075 0.927 7.783 1.00 0.00 H new ATOM 0 HB3 SER A 42 -2.852 2.162 9.005 1.00 0.00 H new ATOM 0 HG SER A 42 -4.673 2.071 6.866 1.00 0.00 H new ATOM 707 N LEU A 43 0.433 2.149 7.966 1.00 0.00 N ATOM 708 CA LEU A 43 1.646 1.370 8.163 1.00 0.00 C ATOM 709 C LEU A 43 1.366 0.136 8.988 1.00 0.00 C ATOM 710 O LEU A 43 1.841 -0.952 8.672 1.00 0.00 O ATOM 711 CB LEU A 43 2.760 2.202 8.800 1.00 0.00 C ATOM 712 CG LEU A 43 3.242 3.271 7.806 1.00 0.00 C ATOM 713 CD1 LEU A 43 4.258 4.181 8.489 1.00 0.00 C ATOM 714 CD2 LEU A 43 3.905 2.601 6.595 1.00 0.00 C ATOM 0 H LEU A 43 0.454 3.080 8.382 1.00 0.00 H new ATOM 0 HA LEU A 43 1.992 1.057 7.178 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.397 2.677 9.711 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.591 1.557 9.086 1.00 0.00 H new ATOM 0 HG LEU A 43 2.385 3.856 7.473 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.600 4.939 7.784 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.793 4.667 9.347 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.109 3.589 8.825 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.243 3.366 5.896 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.759 2.010 6.928 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.185 1.950 6.100 1.00 0.00 H new ATOM 726 N GLN A 44 0.544 0.295 10.010 1.00 0.00 N ATOM 727 CA GLN A 44 0.179 -0.825 10.852 1.00 0.00 C ATOM 728 C GLN A 44 -0.405 -1.913 9.977 1.00 0.00 C ATOM 729 O GLN A 44 0.045 -3.058 10.006 1.00 0.00 O ATOM 730 CB GLN A 44 -0.867 -0.366 11.884 1.00 0.00 C ATOM 731 CG GLN A 44 -1.247 -1.510 12.831 1.00 0.00 C ATOM 732 CD GLN A 44 -2.211 -0.996 13.901 1.00 0.00 C ATOM 733 OE1 GLN A 44 -2.263 0.208 14.171 1.00 0.00 O ATOM 734 NE2 GLN A 44 -2.987 -1.826 14.518 1.00 0.00 N ATOM 0 H GLN A 44 0.120 1.184 10.274 1.00 0.00 H new ATOM 0 HA GLN A 44 1.054 -1.205 11.379 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -0.471 0.471 12.460 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -1.757 -0.006 11.368 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -1.711 -2.321 12.269 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -0.352 -1.919 13.300 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -2.947 -2.821 14.298 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -3.639 -1.486 15.225 1.00 0.00 H new ATOM 743 N LEU A 45 -1.295 -1.515 9.080 1.00 0.00 N ATOM 744 CA LEU A 45 -1.808 -2.438 8.090 1.00 0.00 C ATOM 745 C LEU A 45 -0.693 -2.863 7.167 1.00 0.00 C ATOM 746 O LEU A 45 -0.570 -4.039 6.839 1.00 0.00 O ATOM 747 CB LEU A 45 -2.928 -1.801 7.266 1.00 0.00 C ATOM 748 CG LEU A 45 -4.150 -1.544 8.151 1.00 0.00 C ATOM 749 CD1 LEU A 45 -5.217 -0.809 7.343 1.00 0.00 C ATOM 750 CD2 LEU A 45 -4.717 -2.874 8.660 1.00 0.00 C ATOM 0 H LEU A 45 -1.671 -0.569 9.020 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.213 -3.304 8.613 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.582 -0.864 6.830 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.200 -2.457 6.439 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.853 -0.934 9.004 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.088 -0.625 7.972 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.816 0.142 6.991 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.509 -1.418 6.488 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.586 -2.682 9.289 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.012 -3.492 7.812 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.956 -3.395 9.241 1.00 0.00 H new ATOM 762 N ALA A 46 0.131 -1.894 6.761 1.00 0.00 N ATOM 763 CA ALA A 46 1.228 -2.158 5.841 1.00 0.00 C ATOM 764 C ALA A 46 2.093 -3.274 6.363 1.00 0.00 C ATOM 765 O ALA A 46 2.343 -4.242 5.661 1.00 0.00 O ATOM 766 CB ALA A 46 2.081 -0.905 5.617 1.00 0.00 C ATOM 0 H ALA A 46 0.055 -0.921 7.058 1.00 0.00 H new ATOM 0 HA ALA A 46 0.794 -2.454 4.886 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.891 -1.135 4.925 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.461 -0.113 5.198 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.499 -0.574 6.568 1.00 0.00 H new ATOM 772 N LEU A 47 2.467 -3.187 7.625 1.00 0.00 N ATOM 773 CA LEU A 47 3.241 -4.253 8.234 1.00 0.00 C ATOM 774 C LEU A 47 2.441 -5.544 8.225 1.00 0.00 C ATOM 775 O LEU A 47 2.973 -6.613 7.914 1.00 0.00 O ATOM 776 CB LEU A 47 3.655 -3.894 9.675 1.00 0.00 C ATOM 777 CG LEU A 47 4.950 -3.048 9.689 1.00 0.00 C ATOM 778 CD1 LEU A 47 6.134 -3.883 9.189 1.00 0.00 C ATOM 779 CD2 LEU A 47 4.796 -1.798 8.815 1.00 0.00 C ATOM 0 H LEU A 47 2.252 -2.403 8.241 1.00 0.00 H new ATOM 0 HA LEU A 47 4.151 -4.388 7.649 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.851 -3.341 10.161 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.807 -4.807 10.251 1.00 0.00 H new ATOM 0 HG LEU A 47 5.137 -2.735 10.716 1.00 0.00 H new ATOM 0 HD11 LEU A 47 7.039 -3.276 9.204 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.267 -4.749 9.837 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.938 -4.218 8.170 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.720 -1.220 8.841 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.583 -2.096 7.788 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.975 -1.188 9.193 1.00 0.00 H new ATOM 791 N LYS A 48 1.159 -5.449 8.540 1.00 0.00 N ATOM 792 CA LYS A 48 0.301 -6.626 8.546 1.00 0.00 C ATOM 793 C LYS A 48 0.137 -7.207 7.143 1.00 0.00 C ATOM 794 O LYS A 48 0.207 -8.424 6.958 1.00 0.00 O ATOM 795 CB LYS A 48 -1.069 -6.307 9.156 1.00 0.00 C ATOM 796 CG LYS A 48 -0.912 -5.935 10.641 1.00 0.00 C ATOM 797 CD LYS A 48 -0.400 -7.142 11.443 1.00 0.00 C ATOM 798 CE LYS A 48 -0.254 -6.744 12.915 1.00 0.00 C ATOM 799 NZ LYS A 48 0.210 -7.905 13.704 1.00 0.00 N ATOM 0 H LYS A 48 0.692 -4.578 8.793 1.00 0.00 H new ATOM 0 HA LYS A 48 0.788 -7.378 9.167 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.535 -5.484 8.614 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.730 -7.168 9.057 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.217 -5.101 10.742 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.869 -5.603 11.043 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.093 -7.978 11.347 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.559 -7.476 11.047 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.455 -5.921 13.010 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -1.209 -6.388 13.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 0.307 -7.630 14.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -0.481 -8.678 13.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.131 -8.225 13.342 1.00 0.00 H new ATOM 813 N ILE A 49 -0.085 -6.348 6.158 1.00 0.00 N ATOM 814 CA ILE A 49 -0.264 -6.825 4.791 1.00 0.00 C ATOM 815 C ILE A 49 1.078 -7.097 4.131 1.00 0.00 C ATOM 816 O ILE A 49 1.148 -7.832 3.159 1.00 0.00 O ATOM 817 CB ILE A 49 -1.078 -5.827 3.941 1.00 0.00 C ATOM 818 CG1 ILE A 49 -0.321 -4.500 3.815 1.00 0.00 C ATOM 819 CG2 ILE A 49 -2.440 -5.570 4.603 1.00 0.00 C ATOM 820 CD1 ILE A 49 -1.036 -3.584 2.823 1.00 0.00 C ATOM 0 H ILE A 49 -0.145 -5.336 6.274 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.825 -7.758 4.847 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.226 -6.253 2.949 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.256 -4.015 4.789 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.700 -4.684 3.482 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -3.011 -4.865 3.999 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.989 -6.508 4.681 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.288 -5.154 5.599 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.492 -2.643 2.739 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.078 -4.067 1.847 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.049 -3.387 3.174 1.00 0.00 H new ATOM 832 N ALA A 50 2.129 -6.457 4.635 1.00 0.00 N ATOM 833 CA ALA A 50 3.459 -6.538 4.027 1.00 0.00 C ATOM 834 C ALA A 50 3.849 -7.967 3.731 1.00 0.00 C ATOM 835 O ALA A 50 4.496 -8.240 2.728 1.00 0.00 O ATOM 836 CB ALA A 50 4.515 -5.900 4.937 1.00 0.00 C ATOM 0 H ALA A 50 2.087 -5.872 5.469 1.00 0.00 H new ATOM 0 HA ALA A 50 3.414 -5.989 3.087 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.494 -5.972 4.464 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.268 -4.851 5.101 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.534 -6.422 5.894 1.00 0.00 H new ATOM 842 N TYR A 51 3.466 -8.879 4.598 1.00 0.00 N ATOM 843 CA TYR A 51 3.806 -10.270 4.375 1.00 0.00 C ATOM 844 C TYR A 51 3.177 -10.742 3.061 1.00 0.00 C ATOM 845 O TYR A 51 3.870 -11.235 2.166 1.00 0.00 O ATOM 846 CB TYR A 51 3.329 -11.134 5.550 1.00 0.00 C ATOM 847 CG TYR A 51 3.727 -12.570 5.314 1.00 0.00 C ATOM 848 CD1 TYR A 51 5.073 -12.939 5.416 1.00 0.00 C ATOM 849 CD2 TYR A 51 2.761 -13.531 5.007 1.00 0.00 C ATOM 850 CE1 TYR A 51 5.451 -14.261 5.210 1.00 0.00 C ATOM 851 CE2 TYR A 51 3.143 -14.858 4.799 1.00 0.00 C ATOM 852 CZ TYR A 51 4.489 -15.221 4.901 1.00 0.00 C ATOM 853 OH TYR A 51 4.865 -16.527 4.702 1.00 0.00 O ATOM 0 H TYR A 51 2.931 -8.691 5.446 1.00 0.00 H new ATOM 0 HA TYR A 51 4.889 -10.370 4.305 1.00 0.00 H new ATOM 0 HB2 TYR A 51 3.766 -10.773 6.481 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.247 -11.058 5.655 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.819 -12.196 5.655 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.721 -13.249 4.931 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.490 -14.544 5.289 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.399 -15.603 4.559 1.00 0.00 H new ATOM 0 HH TYR A 51 4.074 -17.068 4.496 1.00 0.00 H new ATOM 863 N TYR A 52 1.892 -10.459 2.896 1.00 0.00 N ATOM 864 CA TYR A 52 1.215 -10.703 1.624 1.00 0.00 C ATOM 865 C TYR A 52 1.698 -9.707 0.576 1.00 0.00 C ATOM 866 O TYR A 52 2.070 -10.075 -0.549 1.00 0.00 O ATOM 867 CB TYR A 52 -0.299 -10.584 1.794 1.00 0.00 C ATOM 868 CG TYR A 52 -0.835 -11.825 2.471 1.00 0.00 C ATOM 869 CD1 TYR A 52 -1.097 -12.968 1.712 1.00 0.00 C ATOM 870 CD2 TYR A 52 -1.079 -11.834 3.852 1.00 0.00 C ATOM 871 CE1 TYR A 52 -1.601 -14.114 2.324 1.00 0.00 C ATOM 872 CE2 TYR A 52 -1.587 -12.985 4.464 1.00 0.00 C ATOM 873 CZ TYR A 52 -1.847 -14.124 3.699 1.00 0.00 C ATOM 874 OH TYR A 52 -2.354 -15.257 4.295 1.00 0.00 O ATOM 0 H TYR A 52 1.297 -10.062 3.623 1.00 0.00 H new ATOM 0 HA TYR A 52 1.452 -11.714 1.293 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -0.540 -9.702 2.387 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -0.775 -10.454 0.822 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -0.909 -12.964 0.649 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -0.875 -10.953 4.443 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -1.802 -14.996 1.734 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.778 -12.993 5.527 1.00 0.00 H new ATOM 0 HH TYR A 52 -2.466 -15.099 5.256 1.00 0.00 H new ATOM 884 N LEU A 53 1.784 -8.457 0.989 1.00 0.00 N ATOM 885 CA LEU A 53 2.277 -7.390 0.147 1.00 0.00 C ATOM 886 C LEU A 53 3.796 -7.394 0.209 1.00 0.00 C ATOM 887 O LEU A 53 4.426 -6.367 0.453 1.00 0.00 O ATOM 888 CB LEU A 53 1.712 -6.030 0.645 1.00 0.00 C ATOM 889 CG LEU A 53 2.125 -4.862 -0.283 1.00 0.00 C ATOM 890 CD1 LEU A 53 1.413 -4.971 -1.630 1.00 0.00 C ATOM 891 CD2 LEU A 53 1.750 -3.533 0.376 1.00 0.00 C ATOM 0 H LEU A 53 1.512 -8.154 1.924 1.00 0.00 H new ATOM 0 HA LEU A 53 1.955 -7.537 -0.884 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.625 -6.085 0.698 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.071 -5.836 1.656 1.00 0.00 H new ATOM 0 HG LEU A 53 3.202 -4.909 -0.446 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.715 -4.142 -2.270 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.680 -5.914 -2.108 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.335 -4.936 -1.475 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.040 -2.709 -0.276 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.673 -3.501 0.544 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.269 -3.441 1.330 1.00 0.00 H new ATOM 903 N ASN A 54 4.382 -8.567 -0.030 1.00 0.00 N ATOM 904 CA ASN A 54 5.830 -8.708 0.012 1.00 0.00 C ATOM 905 C ASN A 54 6.459 -7.691 -0.909 1.00 0.00 C ATOM 906 O ASN A 54 6.529 -7.893 -2.128 1.00 0.00 O ATOM 907 CB ASN A 54 6.248 -10.111 -0.415 1.00 0.00 C ATOM 908 CG ASN A 54 7.659 -10.405 0.092 1.00 0.00 C ATOM 909 OD1 ASN A 54 8.496 -9.497 0.177 1.00 0.00 O ATOM 910 ND2 ASN A 54 7.981 -11.616 0.432 1.00 0.00 N ATOM 0 H ASN A 54 3.877 -9.425 -0.253 1.00 0.00 H new ATOM 0 HA ASN A 54 6.168 -8.542 1.035 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.548 -10.846 -0.018 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.217 -10.195 -1.501 1.00 0.00 H new ATOM 0 HD21 ASN A 54 8.922 -11.818 0.769 1.00 0.00 H new ATOM 0 HD22 ASN A 54 7.292 -12.365 0.363 1.00 0.00 H new ATOM 917 N THR A 55 6.808 -6.571 -0.335 1.00 0.00 N ATOM 918 CA THR A 55 7.326 -5.438 -1.055 1.00 0.00 C ATOM 919 C THR A 55 8.123 -4.580 -0.078 1.00 0.00 C ATOM 920 O THR A 55 7.675 -4.354 1.052 1.00 0.00 O ATOM 921 CB THR A 55 6.146 -4.638 -1.633 1.00 0.00 C ATOM 922 OG1 THR A 55 5.243 -5.526 -2.288 1.00 0.00 O ATOM 923 CG2 THR A 55 6.640 -3.575 -2.614 1.00 0.00 C ATOM 0 H THR A 55 6.738 -6.417 0.671 1.00 0.00 H new ATOM 0 HA THR A 55 7.973 -5.754 -1.874 1.00 0.00 H new ATOM 0 HB THR A 55 5.631 -4.134 -0.815 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.734 -6.308 -2.616 1.00 0.00 H new ATOM 0 HG21 THR A 55 5.789 -3.022 -3.010 1.00 0.00 H new ATOM 0 HG22 THR A 55 7.311 -2.888 -2.099 1.00 0.00 H new ATOM 0 HG23 THR A 55 7.173 -4.056 -3.434 1.00 0.00 H new ATOM 931 N PRO A 56 9.342 -4.243 -0.401 1.00 0.00 N ATOM 932 CA PRO A 56 10.209 -3.528 0.587 1.00 0.00 C ATOM 933 C PRO A 56 9.582 -2.215 1.045 1.00 0.00 C ATOM 934 O PRO A 56 9.361 -1.312 0.232 1.00 0.00 O ATOM 935 CB PRO A 56 11.497 -3.246 -0.203 1.00 0.00 C ATOM 936 CG PRO A 56 11.503 -4.267 -1.288 1.00 0.00 C ATOM 937 CD PRO A 56 10.046 -4.440 -1.686 1.00 0.00 C ATOM 0 HA PRO A 56 10.367 -4.115 1.492 1.00 0.00 H new ATOM 0 HB2 PRO A 56 11.499 -2.235 -0.610 1.00 0.00 H new ATOM 0 HB3 PRO A 56 12.379 -3.336 0.431 1.00 0.00 H new ATOM 0 HG2 PRO A 56 12.105 -3.937 -2.135 1.00 0.00 H new ATOM 0 HG3 PRO A 56 11.930 -5.208 -0.940 1.00 0.00 H new ATOM 0 HD2 PRO A 56 9.739 -3.709 -2.434 1.00 0.00 H new ATOM 0 HD3 PRO A 56 9.854 -5.427 -2.108 1.00 0.00 H new ATOM 945 N LEU A 57 9.490 -2.036 2.352 1.00 0.00 N ATOM 946 CA LEU A 57 9.113 -0.748 2.908 1.00 0.00 C ATOM 947 C LEU A 57 10.216 0.254 2.639 1.00 0.00 C ATOM 948 O LEU A 57 9.969 1.423 2.352 1.00 0.00 O ATOM 949 CB LEU A 57 8.809 -0.839 4.411 1.00 0.00 C ATOM 950 CG LEU A 57 7.533 -1.670 4.639 1.00 0.00 C ATOM 951 CD1 LEU A 57 7.264 -1.811 6.142 1.00 0.00 C ATOM 952 CD2 LEU A 57 6.330 -0.984 3.973 1.00 0.00 C ATOM 0 H LEU A 57 9.670 -2.763 3.045 1.00 0.00 H new ATOM 0 HA LEU A 57 8.195 -0.418 2.422 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.649 -1.296 4.934 1.00 0.00 H new ATOM 0 HB3 LEU A 57 8.681 0.161 4.826 1.00 0.00 H new ATOM 0 HG LEU A 57 7.676 -2.657 4.199 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.360 -2.400 6.296 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.108 -2.311 6.617 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.133 -0.823 6.582 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.433 -1.580 4.140 1.00 0.00 H new ATOM 0 HD22 LEU A 57 6.192 0.008 4.404 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.510 -0.893 2.902 1.00 0.00 H new ATOM 964 N GLU A 58 11.439 -0.221 2.748 1.00 0.00 N ATOM 965 CA GLU A 58 12.608 0.614 2.569 1.00 0.00 C ATOM 966 C GLU A 58 12.547 1.292 1.217 1.00 0.00 C ATOM 967 O GLU A 58 12.904 2.464 1.076 1.00 0.00 O ATOM 968 CB GLU A 58 13.872 -0.248 2.635 1.00 0.00 C ATOM 969 CG GLU A 58 13.802 -1.193 3.841 1.00 0.00 C ATOM 970 CD GLU A 58 13.159 -2.506 3.431 1.00 0.00 C ATOM 971 OE1 GLU A 58 11.948 -2.594 3.473 1.00 0.00 O ATOM 972 OE2 GLU A 58 13.884 -3.404 3.085 1.00 0.00 O ATOM 0 H GLU A 58 11.651 -1.195 2.963 1.00 0.00 H new ATOM 0 HA GLU A 58 12.632 1.365 3.358 1.00 0.00 H new ATOM 0 HB2 GLU A 58 13.977 -0.825 1.716 1.00 0.00 H new ATOM 0 HB3 GLU A 58 14.753 0.389 2.713 1.00 0.00 H new ATOM 0 HG2 GLU A 58 14.804 -1.374 4.231 1.00 0.00 H new ATOM 0 HG3 GLU A 58 13.227 -0.731 4.643 1.00 0.00 H new ATOM 979 N ASP A 59 12.091 0.547 0.222 1.00 0.00 N ATOM 980 CA ASP A 59 11.980 1.076 -1.123 1.00 0.00 C ATOM 981 C ASP A 59 11.026 2.257 -1.155 1.00 0.00 C ATOM 982 O ASP A 59 11.364 3.326 -1.676 1.00 0.00 O ATOM 983 CB ASP A 59 11.502 -0.007 -2.095 1.00 0.00 C ATOM 984 CG ASP A 59 11.393 0.568 -3.489 1.00 0.00 C ATOM 985 OD1 ASP A 59 12.405 0.944 -4.033 1.00 0.00 O ATOM 986 OD2 ASP A 59 10.298 0.632 -3.994 1.00 0.00 O ATOM 0 H ASP A 59 11.793 -0.423 0.323 1.00 0.00 H new ATOM 0 HA ASP A 59 12.969 1.413 -1.435 1.00 0.00 H new ATOM 0 HB2 ASP A 59 12.199 -0.845 -2.091 1.00 0.00 H new ATOM 0 HB3 ASP A 59 10.535 -0.395 -1.775 1.00 0.00 H new ATOM 991 N ILE A 60 9.847 2.083 -0.567 1.00 0.00 N ATOM 992 CA ILE A 60 8.879 3.171 -0.496 1.00 0.00 C ATOM 993 C ILE A 60 9.328 4.254 0.480 1.00 0.00 C ATOM 994 O ILE A 60 9.166 5.455 0.216 1.00 0.00 O ATOM 995 CB ILE A 60 7.454 2.662 -0.173 1.00 0.00 C ATOM 996 CG1 ILE A 60 6.489 3.861 0.014 1.00 0.00 C ATOM 997 CG2 ILE A 60 7.460 1.779 1.078 1.00 0.00 C ATOM 998 CD1 ILE A 60 6.304 4.182 1.506 1.00 0.00 C ATOM 0 H ILE A 60 9.541 1.210 -0.137 1.00 0.00 H new ATOM 0 HA ILE A 60 8.833 3.623 -1.487 1.00 0.00 H new ATOM 0 HB ILE A 60 7.106 2.058 -1.011 1.00 0.00 H new ATOM 0 HG12 ILE A 60 6.882 4.735 -0.505 1.00 0.00 H new ATOM 0 HG13 ILE A 60 5.523 3.631 -0.436 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.447 1.434 1.284 1.00 0.00 H new ATOM 0 HG22 ILE A 60 8.110 0.920 0.914 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.827 2.354 1.928 1.00 0.00 H new ATOM 0 HD11 ILE A 60 5.623 5.026 1.615 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.889 3.313 2.016 1.00 0.00 H new ATOM 0 HD13 ILE A 60 7.269 4.435 1.946 1.00 0.00 H new ATOM 1010 N PHE A 61 9.869 3.829 1.617 1.00 0.00 N ATOM 1011 CA PHE A 61 10.284 4.762 2.659 1.00 0.00 C ATOM 1012 C PHE A 61 11.445 5.632 2.200 1.00 0.00 C ATOM 1013 O PHE A 61 12.569 5.494 2.689 1.00 0.00 O ATOM 1014 CB PHE A 61 10.664 4.012 3.948 1.00 0.00 C ATOM 1015 CG PHE A 61 9.472 3.922 4.879 1.00 0.00 C ATOM 1016 CD1 PHE A 61 8.574 2.855 4.775 1.00 0.00 C ATOM 1017 CD2 PHE A 61 9.275 4.906 5.858 1.00 0.00 C ATOM 1018 CE1 PHE A 61 7.480 2.773 5.644 1.00 0.00 C ATOM 1019 CE2 PHE A 61 8.182 4.822 6.726 1.00 0.00 C ATOM 1020 CZ PHE A 61 7.286 3.756 6.618 1.00 0.00 C ATOM 0 H PHE A 61 10.030 2.847 1.840 1.00 0.00 H new ATOM 0 HA PHE A 61 9.434 5.412 2.868 1.00 0.00 H new ATOM 0 HB2 PHE A 61 11.018 3.011 3.703 1.00 0.00 H new ATOM 0 HB3 PHE A 61 11.485 4.527 4.447 1.00 0.00 H new ATOM 0 HD1 PHE A 61 8.725 2.094 4.024 1.00 0.00 H new ATOM 0 HD2 PHE A 61 9.968 5.730 5.942 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.786 1.950 5.562 1.00 0.00 H new ATOM 0 HE2 PHE A 61 8.031 5.581 7.479 1.00 0.00 H new ATOM 0 HZ PHE A 61 6.442 3.691 7.288 1.00 0.00 H new ATOM 1030 N GLN A 62 11.144 6.596 1.354 1.00 0.00 N ATOM 1031 CA GLN A 62 12.123 7.586 0.932 1.00 0.00 C ATOM 1032 C GLN A 62 11.581 8.972 1.230 1.00 0.00 C ATOM 1033 O GLN A 62 10.387 9.224 1.039 1.00 0.00 O ATOM 1034 CB GLN A 62 12.421 7.439 -0.562 1.00 0.00 C ATOM 1035 CG GLN A 62 13.068 6.070 -0.812 1.00 0.00 C ATOM 1036 CD GLN A 62 13.349 5.882 -2.293 1.00 0.00 C ATOM 1037 OE1 GLN A 62 13.988 6.727 -2.922 1.00 0.00 O ATOM 1038 NE2 GLN A 62 12.903 4.835 -2.896 1.00 0.00 N ATOM 0 H GLN A 62 10.220 6.718 0.940 1.00 0.00 H new ATOM 0 HA GLN A 62 13.054 7.434 1.478 1.00 0.00 H new ATOM 0 HB2 GLN A 62 11.501 7.532 -1.140 1.00 0.00 H new ATOM 0 HB3 GLN A 62 13.087 8.236 -0.893 1.00 0.00 H new ATOM 0 HG2 GLN A 62 13.996 5.990 -0.246 1.00 0.00 H new ATOM 0 HG3 GLN A 62 12.409 5.278 -0.457 1.00 0.00 H new ATOM 0 HE21 GLN A 62 12.374 4.134 -2.377 1.00 0.00 H new ATOM 0 HE22 GLN A 62 13.079 4.707 -3.892 1.00 0.00 H new ATOM 1047 N TRP A 63 12.423 9.841 1.752 1.00 0.00 N ATOM 1048 CA TRP A 63 11.985 11.173 2.148 1.00 0.00 C ATOM 1049 C TRP A 63 12.031 12.102 0.949 1.00 0.00 C ATOM 1050 O TRP A 63 12.966 12.037 0.145 1.00 0.00 O ATOM 1051 CB TRP A 63 12.878 11.693 3.274 1.00 0.00 C ATOM 1052 CG TRP A 63 12.802 10.726 4.414 1.00 0.00 C ATOM 1053 CD1 TRP A 63 13.754 9.817 4.721 1.00 0.00 C ATOM 1054 CD2 TRP A 63 11.731 10.538 5.382 1.00 0.00 C ATOM 1055 NE1 TRP A 63 13.337 9.092 5.821 1.00 0.00 N ATOM 1056 CE2 TRP A 63 12.096 9.497 6.264 1.00 0.00 C ATOM 1057 CE3 TRP A 63 10.492 11.167 5.580 1.00 0.00 C ATOM 1058 CZ2 TRP A 63 11.263 9.092 7.305 1.00 0.00 C ATOM 1059 CZ3 TRP A 63 9.647 10.761 6.625 1.00 0.00 C ATOM 1060 CH2 TRP A 63 10.032 9.725 7.486 1.00 0.00 C ATOM 0 H TRP A 63 13.413 9.654 1.913 1.00 0.00 H new ATOM 0 HA TRP A 63 10.959 11.130 2.513 1.00 0.00 H new ATOM 0 HB2 TRP A 63 13.907 11.793 2.928 1.00 0.00 H new ATOM 0 HB3 TRP A 63 12.551 12.683 3.592 1.00 0.00 H new ATOM 0 HD1 TRP A 63 14.687 9.680 4.194 1.00 0.00 H new ATOM 0 HE1 TRP A 63 13.882 8.346 6.253 1.00 0.00 H new ATOM 0 HE3 TRP A 63 10.187 11.969 4.924 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 11.567 8.295 7.967 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 8.695 11.250 6.766 1.00 0.00 H new ATOM 0 HH2 TRP A 63 9.378 9.417 8.288 1.00 0.00 H new ATOM 1071 N GLN A 64 10.983 12.887 0.770 1.00 0.00 N ATOM 1072 CA GLN A 64 10.851 13.729 -0.416 1.00 0.00 C ATOM 1073 C GLN A 64 11.245 15.173 -0.140 1.00 0.00 C ATOM 1074 O GLN A 64 11.333 15.595 1.018 1.00 0.00 O ATOM 1075 CB GLN A 64 9.409 13.685 -0.948 1.00 0.00 C ATOM 1076 CG GLN A 64 8.790 12.307 -0.692 1.00 0.00 C ATOM 1077 CD GLN A 64 7.303 12.362 -0.977 1.00 0.00 C ATOM 1078 OE1 GLN A 64 6.853 11.876 -2.007 1.00 0.00 O ATOM 1079 NE2 GLN A 64 6.505 12.926 -0.126 1.00 0.00 N ATOM 0 H GLN A 64 10.208 12.962 1.429 1.00 0.00 H new ATOM 0 HA GLN A 64 11.533 13.331 -1.167 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.811 14.456 -0.462 1.00 0.00 H new ATOM 0 HB3 GLN A 64 9.401 13.902 -2.016 1.00 0.00 H new ATOM 0 HG2 GLN A 64 9.266 11.559 -1.326 1.00 0.00 H new ATOM 0 HG3 GLN A 64 8.962 12.005 0.341 1.00 0.00 H new ATOM 0 HE21 GLN A 64 6.879 13.331 0.732 1.00 0.00 H new ATOM 0 HE22 GLN A 64 5.503 12.965 -0.314 1.00 0.00 H new ATOM 1088 N PRO A 65 11.397 15.953 -1.186 1.00 0.00 N ATOM 1089 CA PRO A 65 11.686 17.415 -1.059 1.00 0.00 C ATOM 1090 C PRO A 65 10.560 18.147 -0.346 1.00 0.00 C ATOM 1091 O PRO A 65 9.389 17.746 -0.439 1.00 0.00 O ATOM 1092 CB PRO A 65 11.811 17.896 -2.507 1.00 0.00 C ATOM 1093 CG PRO A 65 12.163 16.672 -3.282 1.00 0.00 C ATOM 1094 CD PRO A 65 11.430 15.527 -2.602 1.00 0.00 C ATOM 0 HA PRO A 65 12.582 17.606 -0.468 1.00 0.00 H new ATOM 0 HB2 PRO A 65 10.878 18.334 -2.861 1.00 0.00 H new ATOM 0 HB3 PRO A 65 12.580 18.662 -2.605 1.00 0.00 H new ATOM 0 HG2 PRO A 65 11.858 16.768 -4.324 1.00 0.00 H new ATOM 0 HG3 PRO A 65 13.240 16.504 -3.279 1.00 0.00 H new ATOM 0 HD2 PRO A 65 10.427 15.392 -3.007 1.00 0.00 H new ATOM 0 HD3 PRO A 65 11.955 14.580 -2.727 1.00 0.00 H new ATOM 1102 N GLU A 66 10.916 19.189 0.383 1.00 0.00 N ATOM 1103 CA GLU A 66 9.952 19.974 1.123 1.00 0.00 C ATOM 1104 C GLU A 66 8.945 20.641 0.183 1.00 0.00 C ATOM 1105 O GLU A 66 7.990 21.193 0.673 1.00 0.00 O ATOM 1106 CB GLU A 66 10.673 21.044 1.947 1.00 0.00 C ATOM 1107 CG GLU A 66 11.573 20.380 3.008 1.00 0.00 C ATOM 1108 CD GLU A 66 12.946 20.021 2.445 1.00 0.00 C ATOM 1109 OE1 GLU A 66 13.167 20.192 1.260 1.00 0.00 O ATOM 1110 OE2 GLU A 66 13.769 19.588 3.217 1.00 0.00 O ATOM 1111 OXT GLU A 66 9.151 20.601 -1.006 1.00 0.00 O ATOM 0 H GLU A 66 11.879 19.512 0.477 1.00 0.00 H new ATOM 0 HA GLU A 66 9.409 19.303 1.789 1.00 0.00 H new ATOM 0 HB2 GLU A 66 11.274 21.674 1.292 1.00 0.00 H new ATOM 0 HB3 GLU A 66 9.944 21.693 2.432 1.00 0.00 H new ATOM 0 HG2 GLU A 66 11.693 21.054 3.856 1.00 0.00 H new ATOM 0 HG3 GLU A 66 11.088 19.479 3.384 1.00 0.00 H new TER 1118 GLU A 66