USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 716 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: B 12 HIS :FLIP no HD1:sc= -4.43 F(o=-16!,f=-15) USER MOD Set 1.2: B 13 HIS : no HE2:sc= -10.6! C(o=-15!,f=-18!) USER MOD Set 2.1: B 5 HIS : no HE2:sc= -5.87 K(o=-10,f=-12!) USER MOD Set 2.2: B 6 HIS :FLIP no HD1:sc= -4.28 F(o=-11!,f=-10) USER MOD Set 3.1: A 12 HIS :FLIP no HD1:sc= -4.58 F(o=-16!,f=-15) USER MOD Set 3.2: A 13 HIS : no HE2:sc= -10.8! C(o=-15!,f=-18!) USER MOD Set 4.1: A 5 HIS : no HE2:sc= -5.86 K(o=-10,f=-12!) USER MOD Set 4.2: A 6 HIS :FLIP no HD1:sc= -4.14 F(o=-11!,f=-10) USER MOD Single : A 1 ALA N :NH3+ 127:sc= -0.192 (180deg=-0.565) USER MOD Single : A 3 LYS NZ :NH3+ -156:sc=-0.00215 (180deg=-0.424) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -0.289 K(o=-0.29,f=-2.2!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.296 X(o=-0.3,f=-0.082) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -7.51! C(o=-7.5!,f=-7.1!) USER MOD Single : A 28 LYS NZ :NH3+ 150:sc= -1.63! (180deg=-3.75!) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot 45:sc= 0.262 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -165:sc= -0.0219 (180deg=-0.224) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -1.3 K(o=-1.3,f=-2.7!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : B 1 ALA N :NH3+ 159:sc= -0.169 (180deg=-0.486) USER MOD Single : B 3 LYS NZ :NH3+ -157:sc= -0.0173 (180deg=-0.439) USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 8 ASN : amide:sc= -0.365 K(o=-0.37,f=-2.2!) USER MOD Single : B 11 SER OG : rot 180:sc= 0 USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 21 GLN : amide:sc= -0.351 X(o=-0.35,f=-0.13) USER MOD Single : B 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 HIS :FLIP no HD1:sc= -7.07! C(o=-7.8!,f=-7.1!) USER MOD Single : B 28 LYS NZ :NH3+ 150:sc= -1.65! (180deg=-3.74!) USER MOD Single : B 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 30 SER OG : rot 42:sc= 0.257 USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 LYS NZ :NH3+ -165:sc= -0.0151 (180deg=-0.202) USER MOD Single : B 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 36 GLN : amide:sc= -1.3 K(o=-1.3,f=-2.8!) USER MOD Single : B 37 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -32.091 9.426 2.068 1.00 0.00 N ATOM 2 CA ALA A 1 -31.482 8.101 1.782 1.00 0.00 C ATOM 3 C ALA A 1 -30.462 7.725 2.850 1.00 0.00 C ATOM 4 O ALA A 1 -29.508 8.463 3.100 1.00 0.00 O ATOM 5 CB ALA A 1 -30.829 8.106 0.408 1.00 0.00 C ATOM 0 H1 ALA A 1 -31.999 10.038 1.232 1.00 0.00 H new ATOM 0 H2 ALA A 1 -33.098 9.303 2.298 1.00 0.00 H new ATOM 0 H3 ALA A 1 -31.603 9.866 2.874 1.00 0.00 H new ATOM 0 HA ALA A 1 -32.276 7.354 1.793 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -30.387 7.129 0.212 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -31.580 8.323 -0.351 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -30.051 8.869 0.378 1.00 0.00 H new ATOM 13 N LEU A 2 -30.668 6.573 3.480 1.00 0.00 N ATOM 14 CA LEU A 2 -29.764 6.101 4.523 1.00 0.00 C ATOM 15 C LEU A 2 -29.788 4.579 4.617 1.00 0.00 C ATOM 16 O LEU A 2 -30.022 4.015 5.686 1.00 0.00 O ATOM 17 CB LEU A 2 -30.147 6.711 5.874 1.00 0.00 C ATOM 18 CG LEU A 2 -31.635 7.020 6.047 1.00 0.00 C ATOM 19 CD1 LEU A 2 -32.020 6.982 7.517 1.00 0.00 C ATOM 20 CD2 LEU A 2 -31.971 8.374 5.440 1.00 0.00 C ATOM 0 H LEU A 2 -31.452 5.950 3.287 1.00 0.00 H new ATOM 0 HA LEU A 2 -28.754 6.416 4.262 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -29.839 6.027 6.665 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -29.582 7.633 6.013 1.00 0.00 H new ATOM 0 HG LEU A 2 -32.210 6.256 5.523 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -33.082 7.204 7.621 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -31.815 5.991 7.921 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -31.439 7.724 8.065 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -33.034 8.578 5.572 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -31.388 9.150 5.936 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -31.732 8.365 4.376 1.00 0.00 H new ATOM 32 N LYS A 3 -29.542 3.917 3.490 1.00 0.00 N ATOM 33 CA LYS A 3 -29.533 2.459 3.446 1.00 0.00 C ATOM 34 C LYS A 3 -28.551 1.892 4.466 1.00 0.00 C ATOM 35 O LYS A 3 -28.851 0.916 5.155 1.00 0.00 O ATOM 36 CB LYS A 3 -29.166 1.972 2.042 1.00 0.00 C ATOM 37 CG LYS A 3 -29.855 2.745 0.928 1.00 0.00 C ATOM 38 CD LYS A 3 -31.344 2.899 1.193 1.00 0.00 C ATOM 39 CE LYS A 3 -32.148 2.835 -0.095 1.00 0.00 C ATOM 40 NZ LYS A 3 -31.551 3.681 -1.165 1.00 0.00 N ATOM 0 H LYS A 3 -29.346 4.367 2.596 1.00 0.00 H new ATOM 0 HA LYS A 3 -30.534 2.106 3.695 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -28.087 2.048 1.911 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -29.424 0.917 1.954 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -29.398 3.730 0.831 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -29.705 2.229 -0.020 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -31.677 2.113 1.871 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -31.529 3.850 1.692 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -32.203 1.802 -0.438 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -33.170 3.162 0.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -32.287 3.943 -1.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -31.149 4.542 -0.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -30.799 3.150 -1.649 1.00 0.00 H new ATOM 54 N LYS A 4 -27.380 2.512 4.558 1.00 0.00 N ATOM 55 CA LYS A 4 -26.351 2.073 5.495 1.00 0.00 C ATOM 56 C LYS A 4 -25.742 0.741 5.064 1.00 0.00 C ATOM 57 O LYS A 4 -25.147 0.031 5.875 1.00 0.00 O ATOM 58 CB LYS A 4 -26.936 1.946 6.903 1.00 0.00 C ATOM 59 CG LYS A 4 -27.743 3.159 7.337 1.00 0.00 C ATOM 60 CD LYS A 4 -27.454 3.533 8.782 1.00 0.00 C ATOM 61 CE LYS A 4 -26.837 4.918 8.886 1.00 0.00 C ATOM 62 NZ LYS A 4 -26.852 5.429 10.284 1.00 0.00 N ATOM 0 H LYS A 4 -27.119 3.321 3.995 1.00 0.00 H new ATOM 0 HA LYS A 4 -25.561 2.824 5.500 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -27.573 1.062 6.945 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -26.124 1.787 7.612 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -27.510 4.003 6.688 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -28.806 2.951 7.220 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -28.378 3.501 9.359 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -26.779 2.799 9.221 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -25.810 4.886 8.522 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -27.382 5.608 8.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -26.423 6.376 10.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -27.834 5.484 10.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -26.310 4.785 10.895 1.00 0.00 H new ATOM 76 N HIS A 5 -25.888 0.407 3.785 1.00 0.00 N ATOM 77 CA HIS A 5 -25.343 -0.838 3.256 1.00 0.00 C ATOM 78 C HIS A 5 -23.950 -0.611 2.678 1.00 0.00 C ATOM 79 O HIS A 5 -23.084 -1.486 2.747 1.00 0.00 O ATOM 80 CB HIS A 5 -26.278 -1.420 2.189 1.00 0.00 C ATOM 81 CG HIS A 5 -26.227 -0.701 0.873 1.00 0.00 C ATOM 82 ND1 HIS A 5 -26.114 -1.355 -0.336 1.00 0.00 N ATOM 83 CD2 HIS A 5 -26.275 0.622 0.580 1.00 0.00 C ATOM 84 CE1 HIS A 5 -26.095 -0.467 -1.315 1.00 0.00 C ATOM 85 NE2 HIS A 5 -26.191 0.737 -0.785 1.00 0.00 N ATOM 0 H HIS A 5 -26.378 0.980 3.098 1.00 0.00 H new ATOM 0 HA HIS A 5 -25.262 -1.554 4.074 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -26.022 -2.467 2.029 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -27.301 -1.396 2.565 1.00 0.00 H new ATOM 0 HD1 HIS A 5 -26.054 -2.366 -0.456 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -26.363 1.433 1.288 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -26.015 -0.689 -2.369 1.00 0.00 H new ATOM 94 N HIS A 6 -23.740 0.573 2.112 1.00 0.00 N ATOM 95 CA HIS A 6 -22.453 0.919 1.526 1.00 0.00 C ATOM 96 C HIS A 6 -21.373 0.956 2.597 1.00 0.00 C ATOM 97 O HIS A 6 -20.265 0.480 2.379 1.00 0.00 O ATOM 98 CB HIS A 6 -22.534 2.269 0.810 1.00 0.00 C ATOM 99 CG HIS A 6 -23.190 2.196 -0.534 1.00 0.00 C ATOM 100 ND1 HIS A 6 -23.717 3.169 -1.316 1.00 0.00 N flip ATOM 101 CD2 HIS A 6 -23.366 1.015 -1.225 1.00 0.00 C flip ATOM 102 CE1 HIS A 6 -24.193 2.564 -2.451 1.00 0.00 C flip ATOM 103 NE2 HIS A 6 -23.970 1.266 -2.373 1.00 0.00 N flip ATOM 0 H HIS A 6 -24.445 1.308 2.047 1.00 0.00 H new ATOM 0 HA HIS A 6 -22.193 0.153 0.795 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -23.085 2.971 1.436 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -21.527 2.669 0.692 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -23.058 0.038 -0.881 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -24.673 3.069 -3.276 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -24.221 0.574 -3.079 1.00 0.00 H new ATOM 112 N GLU A 7 -21.706 1.516 3.755 1.00 0.00 N ATOM 113 CA GLU A 7 -20.762 1.596 4.860 1.00 0.00 C ATOM 114 C GLU A 7 -20.351 0.196 5.307 1.00 0.00 C ATOM 115 O GLU A 7 -19.264 0.000 5.849 1.00 0.00 O ATOM 116 CB GLU A 7 -21.376 2.361 6.034 1.00 0.00 C ATOM 117 CG GLU A 7 -22.616 1.699 6.610 1.00 0.00 C ATOM 118 CD GLU A 7 -23.215 2.485 7.762 1.00 0.00 C ATOM 119 OE1 GLU A 7 -23.895 3.497 7.498 1.00 0.00 O ATOM 120 OE2 GLU A 7 -23.002 2.086 8.926 1.00 0.00 O ATOM 0 H GLU A 7 -22.622 1.920 3.951 1.00 0.00 H new ATOM 0 HA GLU A 7 -19.876 2.132 4.518 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -20.629 2.462 6.822 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -21.631 3.369 5.706 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -23.363 1.588 5.824 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -22.362 0.696 6.953 1.00 0.00 H new ATOM 127 N ASN A 8 -21.228 -0.777 5.065 1.00 0.00 N ATOM 128 CA ASN A 8 -20.956 -2.162 5.430 1.00 0.00 C ATOM 129 C ASN A 8 -19.843 -2.730 4.558 1.00 0.00 C ATOM 130 O ASN A 8 -18.775 -3.095 5.055 1.00 0.00 O ATOM 131 CB ASN A 8 -22.221 -3.010 5.285 1.00 0.00 C ATOM 132 CG ASN A 8 -22.594 -3.719 6.571 1.00 0.00 C ATOM 133 OD1 ASN A 8 -21.781 -3.834 7.488 1.00 0.00 O ATOM 134 ND2 ASN A 8 -23.829 -4.202 6.645 1.00 0.00 N ATOM 0 H ASN A 8 -22.133 -0.629 4.617 1.00 0.00 H new ATOM 0 HA ASN A 8 -20.635 -2.188 6.471 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -23.048 -2.373 4.972 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -22.072 -3.748 4.497 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -24.136 -4.691 7.486 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -24.471 -4.084 5.861 1.00 0.00 H new ATOM 141 N GLU A 9 -20.089 -2.783 3.251 1.00 0.00 N ATOM 142 CA GLU A 9 -19.090 -3.286 2.315 1.00 0.00 C ATOM 143 C GLU A 9 -17.887 -2.342 2.254 1.00 0.00 C ATOM 144 O GLU A 9 -16.832 -2.695 1.725 1.00 0.00 O ATOM 145 CB GLU A 9 -19.700 -3.446 0.921 1.00 0.00 C ATOM 146 CG GLU A 9 -18.696 -3.878 -0.136 1.00 0.00 C ATOM 147 CD GLU A 9 -19.326 -4.719 -1.228 1.00 0.00 C ATOM 148 OE1 GLU A 9 -20.279 -4.235 -1.875 1.00 0.00 O ATOM 149 OE2 GLU A 9 -18.867 -5.862 -1.436 1.00 0.00 O ATOM 0 H GLU A 9 -20.964 -2.486 2.820 1.00 0.00 H new ATOM 0 HA GLU A 9 -18.752 -4.261 2.667 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -20.505 -4.180 0.968 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -20.149 -2.500 0.619 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -18.239 -2.994 -0.581 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -17.896 -4.446 0.339 1.00 0.00 H new ATOM 156 N ILE A 10 -18.055 -1.143 2.809 1.00 0.00 N ATOM 157 CA ILE A 10 -17.002 -0.142 2.834 1.00 0.00 C ATOM 158 C ILE A 10 -16.121 -0.338 4.066 1.00 0.00 C ATOM 159 O ILE A 10 -14.944 0.023 4.066 1.00 0.00 O ATOM 160 CB ILE A 10 -17.622 1.284 2.806 1.00 0.00 C ATOM 161 CG1 ILE A 10 -18.074 1.628 1.386 1.00 0.00 C ATOM 162 CG2 ILE A 10 -16.661 2.352 3.318 1.00 0.00 C ATOM 163 CD1 ILE A 10 -18.977 2.840 1.317 1.00 0.00 C ATOM 0 H ILE A 10 -18.924 -0.843 3.251 1.00 0.00 H new ATOM 0 HA ILE A 10 -16.375 -0.256 1.949 1.00 0.00 H new ATOM 0 HB ILE A 10 -18.480 1.274 3.478 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -17.195 1.804 0.766 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -18.597 0.771 0.962 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -17.145 3.328 3.276 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -16.384 2.128 4.348 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -15.766 2.364 2.696 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -19.259 3.025 0.280 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -19.874 2.660 1.910 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -18.450 3.709 1.711 1.00 0.00 H new ATOM 175 N SER A 11 -16.697 -0.929 5.109 1.00 0.00 N ATOM 176 CA SER A 11 -15.960 -1.192 6.334 1.00 0.00 C ATOM 177 C SER A 11 -15.029 -2.379 6.131 1.00 0.00 C ATOM 178 O SER A 11 -13.881 -2.372 6.580 1.00 0.00 O ATOM 179 CB SER A 11 -16.923 -1.469 7.491 1.00 0.00 C ATOM 180 OG SER A 11 -16.345 -1.112 8.734 1.00 0.00 O ATOM 0 H SER A 11 -17.670 -1.233 5.127 1.00 0.00 H new ATOM 0 HA SER A 11 -15.368 -0.311 6.583 1.00 0.00 H new ATOM 0 HB2 SER A 11 -17.846 -0.909 7.342 1.00 0.00 H new ATOM 0 HB3 SER A 11 -17.190 -2.526 7.501 1.00 0.00 H new ATOM 0 HG SER A 11 -16.981 -1.297 9.456 1.00 0.00 H new ATOM 186 N HIS A 12 -15.528 -3.393 5.429 1.00 0.00 N ATOM 187 CA HIS A 12 -14.739 -4.579 5.146 1.00 0.00 C ATOM 188 C HIS A 12 -13.627 -4.230 4.152 1.00 0.00 C ATOM 189 O HIS A 12 -12.453 -4.520 4.394 1.00 0.00 O ATOM 190 CB HIS A 12 -15.666 -5.709 4.642 1.00 0.00 C ATOM 191 CG HIS A 12 -15.161 -6.494 3.467 1.00 0.00 C ATOM 192 ND1 HIS A 12 -15.353 -6.312 2.144 1.00 0.00 N flip ATOM 193 CD2 HIS A 12 -14.361 -7.611 3.589 1.00 0.00 C flip ATOM 194 CE1 HIS A 12 -14.674 -7.312 1.492 1.00 0.00 C flip ATOM 195 NE2 HIS A 12 -14.084 -8.083 2.385 1.00 0.00 N flip ATOM 0 H HIS A 12 -16.474 -3.413 5.048 1.00 0.00 H new ATOM 0 HA HIS A 12 -14.255 -4.943 6.052 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -15.846 -6.400 5.466 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -16.629 -5.272 4.376 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -14.015 -8.034 4.521 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -14.630 -7.446 0.421 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -13.512 -8.903 2.182 1.00 0.00 H new ATOM 204 N HIS A 13 -13.993 -3.580 3.048 1.00 0.00 N ATOM 205 CA HIS A 13 -13.000 -3.181 2.063 1.00 0.00 C ATOM 206 C HIS A 13 -12.035 -2.184 2.687 1.00 0.00 C ATOM 207 O HIS A 13 -10.877 -2.093 2.286 1.00 0.00 O ATOM 208 CB HIS A 13 -13.655 -2.560 0.831 1.00 0.00 C ATOM 209 CG HIS A 13 -14.564 -3.483 0.089 1.00 0.00 C ATOM 210 ND1 HIS A 13 -14.369 -4.845 0.015 1.00 0.00 N ATOM 211 CD2 HIS A 13 -15.679 -3.224 -0.628 1.00 0.00 C ATOM 212 CE1 HIS A 13 -15.327 -5.386 -0.717 1.00 0.00 C ATOM 213 NE2 HIS A 13 -16.136 -4.422 -1.119 1.00 0.00 N ATOM 0 H HIS A 13 -14.953 -3.324 2.819 1.00 0.00 H new ATOM 0 HA HIS A 13 -12.460 -4.073 1.745 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -14.221 -1.681 1.139 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -12.874 -2.215 0.153 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -13.604 -5.356 0.456 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -16.128 -2.254 -0.786 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -15.431 -6.436 -0.947 1.00 0.00 H new ATOM 222 N ALA A 14 -12.521 -1.442 3.683 1.00 0.00 N ATOM 223 CA ALA A 14 -11.699 -0.462 4.378 1.00 0.00 C ATOM 224 C ALA A 14 -10.588 -1.165 5.142 1.00 0.00 C ATOM 225 O ALA A 14 -9.470 -0.663 5.248 1.00 0.00 O ATOM 226 CB ALA A 14 -12.551 0.376 5.320 1.00 0.00 C ATOM 0 H ALA A 14 -13.480 -1.504 4.023 1.00 0.00 H new ATOM 0 HA ALA A 14 -11.249 0.205 3.643 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -11.920 1.103 5.831 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -13.318 0.899 4.749 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -13.026 -0.273 6.056 1.00 0.00 H new ATOM 232 N LYS A 15 -10.904 -2.346 5.661 1.00 0.00 N ATOM 233 CA LYS A 15 -9.928 -3.136 6.394 1.00 0.00 C ATOM 234 C LYS A 15 -8.931 -3.765 5.426 1.00 0.00 C ATOM 235 O LYS A 15 -7.802 -4.083 5.800 1.00 0.00 O ATOM 236 CB LYS A 15 -10.626 -4.224 7.212 1.00 0.00 C ATOM 237 CG LYS A 15 -9.800 -4.726 8.386 1.00 0.00 C ATOM 238 CD LYS A 15 -10.675 -5.381 9.443 1.00 0.00 C ATOM 239 CE LYS A 15 -10.956 -6.837 9.111 1.00 0.00 C ATOM 240 NZ LYS A 15 -12.323 -7.249 9.528 1.00 0.00 N ATOM 0 H LYS A 15 -11.827 -2.775 5.587 1.00 0.00 H new ATOM 0 HA LYS A 15 -9.391 -2.479 7.078 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -11.574 -3.835 7.585 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -10.861 -5.064 6.558 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -9.059 -5.442 8.031 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -9.253 -3.894 8.829 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -10.184 -5.317 10.414 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -11.616 -4.837 9.525 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -10.842 -6.993 8.038 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -10.220 -7.470 9.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -12.474 -8.248 9.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -12.425 -7.125 10.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -13.027 -6.662 9.037 1.00 0.00 H new ATOM 254 N GLU A 16 -9.360 -3.944 4.176 1.00 0.00 N ATOM 255 CA GLU A 16 -8.509 -4.535 3.149 1.00 0.00 C ATOM 256 C GLU A 16 -7.434 -3.556 2.677 1.00 0.00 C ATOM 257 O GLU A 16 -6.278 -3.936 2.504 1.00 0.00 O ATOM 258 CB GLU A 16 -9.353 -4.996 1.960 1.00 0.00 C ATOM 259 CG GLU A 16 -9.661 -6.484 1.972 1.00 0.00 C ATOM 260 CD GLU A 16 -11.147 -6.772 1.882 1.00 0.00 C ATOM 261 OE1 GLU A 16 -11.932 -6.050 2.534 1.00 0.00 O ATOM 262 OE2 GLU A 16 -11.527 -7.718 1.162 1.00 0.00 O ATOM 0 H GLU A 16 -10.293 -3.687 3.853 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.009 -5.396 3.592 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -10.290 -4.440 1.953 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.829 -4.749 1.036 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.150 -6.964 1.137 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.263 -6.926 2.885 1.00 0.00 H new ATOM 269 N ILE A 17 -7.816 -2.296 2.471 1.00 0.00 N ATOM 270 CA ILE A 17 -6.868 -1.278 2.027 1.00 0.00 C ATOM 271 C ILE A 17 -5.958 -0.860 3.178 1.00 0.00 C ATOM 272 O ILE A 17 -4.822 -0.437 2.964 1.00 0.00 O ATOM 273 CB ILE A 17 -7.599 -0.037 1.459 1.00 0.00 C ATOM 274 CG1 ILE A 17 -6.605 1.092 1.137 1.00 0.00 C ATOM 275 CG2 ILE A 17 -8.664 0.439 2.434 1.00 0.00 C ATOM 276 CD1 ILE A 17 -7.261 2.428 0.858 1.00 0.00 C ATOM 0 H ILE A 17 -8.769 -1.958 2.604 1.00 0.00 H new ATOM 0 HA ILE A 17 -6.264 -1.713 1.231 1.00 0.00 H new ATOM 0 HB ILE A 17 -8.086 -0.323 0.527 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -5.915 1.205 1.974 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -6.010 0.803 0.271 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -9.170 1.312 2.022 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -9.390 -0.358 2.598 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -8.197 0.704 3.382 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -6.494 3.171 0.640 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -7.929 2.334 0.002 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -7.833 2.742 1.731 1.00 0.00 H new ATOM 288 N GLU A 18 -6.464 -0.988 4.401 1.00 0.00 N ATOM 289 CA GLU A 18 -5.692 -0.630 5.584 1.00 0.00 C ATOM 290 C GLU A 18 -4.647 -1.696 5.892 1.00 0.00 C ATOM 291 O GLU A 18 -3.539 -1.386 6.331 1.00 0.00 O ATOM 292 CB GLU A 18 -6.618 -0.441 6.786 1.00 0.00 C ATOM 293 CG GLU A 18 -6.711 0.999 7.265 1.00 0.00 C ATOM 294 CD GLU A 18 -6.422 1.140 8.747 1.00 0.00 C ATOM 295 OE1 GLU A 18 -7.135 0.507 9.553 1.00 0.00 O ATOM 296 OE2 GLU A 18 -5.482 1.883 9.099 1.00 0.00 O ATOM 0 H GLU A 18 -7.402 -1.336 4.597 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.178 0.310 5.382 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.616 -0.793 6.524 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.266 -1.066 7.607 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.007 1.612 6.701 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.709 1.384 7.055 1.00 0.00 H new ATOM 303 N ARG A 19 -5.004 -2.955 5.655 1.00 0.00 N ATOM 304 CA ARG A 19 -4.091 -4.064 5.905 1.00 0.00 C ATOM 305 C ARG A 19 -2.992 -4.103 4.850 1.00 0.00 C ATOM 306 O ARG A 19 -1.817 -4.300 5.167 1.00 0.00 O ATOM 307 CB ARG A 19 -4.855 -5.389 5.915 1.00 0.00 C ATOM 308 CG ARG A 19 -3.955 -6.608 6.050 1.00 0.00 C ATOM 309 CD ARG A 19 -4.745 -7.900 5.914 1.00 0.00 C ATOM 310 NE ARG A 19 -4.264 -8.720 4.806 1.00 0.00 N ATOM 311 CZ ARG A 19 -4.649 -9.975 4.600 1.00 0.00 C ATOM 312 NH1 ARG A 19 -5.515 -10.550 5.423 1.00 0.00 N ATOM 313 NH2 ARG A 19 -4.168 -10.656 3.568 1.00 0.00 N ATOM 0 H ARG A 19 -5.916 -3.231 5.291 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.630 -3.914 6.881 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.569 -5.381 6.739 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.432 -5.473 4.994 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.177 -6.574 5.287 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.454 -6.587 7.018 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -4.675 -8.467 6.842 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.799 -7.667 5.762 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.596 -8.307 4.155 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.888 -10.029 6.217 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -5.809 -11.513 5.262 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.502 -10.216 2.932 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -4.464 -11.619 3.410 1.00 0.00 H new ATOM 327 N LEU A 20 -3.378 -3.902 3.595 1.00 0.00 N ATOM 328 CA LEU A 20 -2.424 -3.907 2.500 1.00 0.00 C ATOM 329 C LEU A 20 -1.512 -2.692 2.598 1.00 0.00 C ATOM 330 O LEU A 20 -0.337 -2.755 2.240 1.00 0.00 O ATOM 331 CB LEU A 20 -3.157 -3.916 1.157 1.00 0.00 C ATOM 332 CG LEU A 20 -2.761 -5.048 0.207 1.00 0.00 C ATOM 333 CD1 LEU A 20 -2.694 -6.374 0.951 1.00 0.00 C ATOM 334 CD2 LEU A 20 -3.741 -5.138 -0.952 1.00 0.00 C ATOM 0 H LEU A 20 -4.344 -3.734 3.314 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.815 -4.809 2.567 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.229 -3.980 1.346 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.978 -2.964 0.657 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.771 -4.829 -0.193 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.411 -7.166 0.258 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.953 -6.307 1.748 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.670 -6.600 1.381 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.444 -5.948 -1.618 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.742 -5.333 -0.568 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.740 -4.197 -1.503 1.00 0.00 H new ATOM 346 N GLN A 21 -2.062 -1.588 3.099 1.00 0.00 N ATOM 347 CA GLN A 21 -1.295 -0.360 3.258 1.00 0.00 C ATOM 348 C GLN A 21 -0.175 -0.561 4.271 1.00 0.00 C ATOM 349 O GLN A 21 0.950 -0.105 4.064 1.00 0.00 O ATOM 350 CB GLN A 21 -2.208 0.784 3.705 1.00 0.00 C ATOM 351 CG GLN A 21 -1.462 2.067 4.029 1.00 0.00 C ATOM 352 CD GLN A 21 -1.299 2.287 5.520 1.00 0.00 C ATOM 353 OE1 GLN A 21 -0.191 2.499 6.012 1.00 0.00 O ATOM 354 NE2 GLN A 21 -2.408 2.236 6.250 1.00 0.00 N ATOM 0 H GLN A 21 -3.034 -1.521 3.401 1.00 0.00 H new ATOM 0 HA GLN A 21 -0.854 -0.102 2.295 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -2.936 0.985 2.919 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -2.769 0.468 4.585 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -0.478 2.039 3.560 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -1.997 2.913 3.597 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -3.306 2.058 5.801 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -2.361 2.375 7.259 1.00 0.00 H new ATOM 363 N LYS A 22 -0.488 -1.254 5.361 1.00 0.00 N ATOM 364 CA LYS A 22 0.497 -1.523 6.400 1.00 0.00 C ATOM 365 C LYS A 22 1.664 -2.324 5.832 1.00 0.00 C ATOM 366 O LYS A 22 2.828 -2.008 6.080 1.00 0.00 O ATOM 367 CB LYS A 22 -0.147 -2.287 7.558 1.00 0.00 C ATOM 368 CG LYS A 22 0.835 -2.675 8.652 1.00 0.00 C ATOM 369 CD LYS A 22 0.516 -4.047 9.225 1.00 0.00 C ATOM 370 CE LYS A 22 1.478 -5.104 8.708 1.00 0.00 C ATOM 371 NZ LYS A 22 2.186 -5.803 9.816 1.00 0.00 N ATOM 0 H LYS A 22 -1.414 -1.638 5.547 1.00 0.00 H new ATOM 0 HA LYS A 22 0.874 -0.570 6.773 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.937 -1.674 7.991 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.620 -3.189 7.169 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.848 -2.674 8.250 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.807 -1.931 9.448 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.566 -4.009 10.313 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.505 -4.324 8.963 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.929 -5.833 8.111 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.209 -4.637 8.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.832 -6.515 9.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.730 -5.112 10.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.491 -6.270 10.432 1.00 0.00 H new ATOM 385 N GLU A 23 1.342 -3.360 5.065 1.00 0.00 N ATOM 386 CA GLU A 23 2.364 -4.203 4.454 1.00 0.00 C ATOM 387 C GLU A 23 3.312 -3.369 3.599 1.00 0.00 C ATOM 388 O GLU A 23 4.534 -3.531 3.666 1.00 0.00 O ATOM 389 CB GLU A 23 1.712 -5.294 3.602 1.00 0.00 C ATOM 390 CG GLU A 23 2.359 -6.660 3.763 1.00 0.00 C ATOM 391 CD GLU A 23 1.755 -7.461 4.900 1.00 0.00 C ATOM 392 OE1 GLU A 23 1.112 -6.851 5.780 1.00 0.00 O ATOM 393 OE2 GLU A 23 1.924 -8.698 4.910 1.00 0.00 O ATOM 0 H GLU A 23 0.384 -3.636 4.852 1.00 0.00 H new ATOM 0 HA GLU A 23 2.940 -4.673 5.251 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.657 -5.368 3.866 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.758 -5.001 2.553 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.254 -7.219 2.833 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.427 -6.533 3.940 1.00 0.00 H new ATOM 400 N ILE A 24 2.746 -2.467 2.801 1.00 0.00 N ATOM 401 CA ILE A 24 3.554 -1.606 1.943 1.00 0.00 C ATOM 402 C ILE A 24 4.356 -0.616 2.797 1.00 0.00 C ATOM 403 O ILE A 24 5.394 -0.113 2.372 1.00 0.00 O ATOM 404 CB ILE A 24 2.701 -0.858 0.855 1.00 0.00 C ATOM 405 CG1 ILE A 24 2.395 0.599 1.234 1.00 0.00 C ATOM 406 CG2 ILE A 24 1.402 -1.596 0.570 1.00 0.00 C ATOM 407 CD1 ILE A 24 3.432 1.572 0.717 1.00 0.00 C ATOM 0 H ILE A 24 1.740 -2.314 2.731 1.00 0.00 H new ATOM 0 HA ILE A 24 4.246 -2.247 1.397 1.00 0.00 H new ATOM 0 HB ILE A 24 3.314 -0.843 -0.046 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.417 0.874 0.839 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.335 0.682 2.319 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.834 -1.054 -0.186 1.00 0.00 H new ATOM 0 HG22 ILE A 24 1.626 -2.599 0.207 1.00 0.00 H new ATOM 0 HG23 ILE A 24 0.814 -1.664 1.485 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.162 2.585 1.016 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.407 1.319 1.133 1.00 0.00 H new ATOM 0 HD13 ILE A 24 3.475 1.514 -0.371 1.00 0.00 H new ATOM 419 N GLU A 25 3.855 -0.346 4.004 1.00 0.00 N ATOM 420 CA GLU A 25 4.515 0.574 4.922 1.00 0.00 C ATOM 421 C GLU A 25 5.761 -0.070 5.522 1.00 0.00 C ATOM 422 O GLU A 25 6.701 0.619 5.923 1.00 0.00 O ATOM 423 CB GLU A 25 3.556 0.991 6.038 1.00 0.00 C ATOM 424 CG GLU A 25 3.892 2.340 6.655 1.00 0.00 C ATOM 425 CD GLU A 25 4.019 2.273 8.164 1.00 0.00 C ATOM 426 OE1 GLU A 25 5.047 1.756 8.652 1.00 0.00 O ATOM 427 OE2 GLU A 25 3.091 2.739 8.859 1.00 0.00 O ATOM 0 H GLU A 25 2.993 -0.754 4.366 1.00 0.00 H new ATOM 0 HA GLU A 25 4.814 1.460 4.362 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.542 1.025 5.641 1.00 0.00 H new ATOM 0 HB3 GLU A 25 3.567 0.230 6.819 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.827 2.707 6.231 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.117 3.060 6.390 1.00 0.00 H new ATOM 434 N ARG A 26 5.765 -1.397 5.577 1.00 0.00 N ATOM 435 CA ARG A 26 6.898 -2.130 6.120 1.00 0.00 C ATOM 436 C ARG A 26 8.029 -2.193 5.101 1.00 0.00 C ATOM 437 O ARG A 26 9.193 -1.953 5.431 1.00 0.00 O ATOM 438 CB ARG A 26 6.475 -3.545 6.522 1.00 0.00 C ATOM 439 CG ARG A 26 7.249 -4.098 7.706 1.00 0.00 C ATOM 440 CD ARG A 26 7.151 -5.614 7.778 1.00 0.00 C ATOM 441 NE ARG A 26 6.919 -6.084 9.141 1.00 0.00 N ATOM 442 CZ ARG A 26 6.698 -7.357 9.453 1.00 0.00 C ATOM 443 NH1 ARG A 26 6.678 -8.281 8.502 1.00 0.00 N ATOM 444 NH2 ARG A 26 6.495 -7.705 10.716 1.00 0.00 N ATOM 0 H ARG A 26 4.997 -1.985 5.252 1.00 0.00 H new ATOM 0 HA ARG A 26 7.254 -1.605 7.006 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.412 -3.543 6.763 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.607 -4.211 5.669 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.296 -3.803 7.627 1.00 0.00 H new ATOM 0 HG3 ARG A 26 6.864 -3.663 8.629 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.341 -5.956 7.134 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.071 -6.055 7.394 1.00 0.00 H new ATOM 0 HE ARG A 26 6.927 -5.397 9.895 1.00 0.00 H new ATOM 0 HH11 ARG A 26 6.832 -8.015 7.529 1.00 0.00 H new ATOM 0 HH12 ARG A 26 6.508 -9.257 8.743 1.00 0.00 H new ATOM 0 HH21 ARG A 26 6.508 -6.996 11.449 1.00 0.00 H new ATOM 0 HH22 ARG A 26 6.325 -8.682 10.955 1.00 0.00 H new ATOM 458 N HIS A 27 7.680 -2.512 3.858 1.00 0.00 N ATOM 459 CA HIS A 27 8.669 -2.602 2.790 1.00 0.00 C ATOM 460 C HIS A 27 9.158 -1.218 2.377 1.00 0.00 C ATOM 461 O HIS A 27 10.274 -1.069 1.879 1.00 0.00 O ATOM 462 CB HIS A 27 8.082 -3.334 1.582 1.00 0.00 C ATOM 463 CG HIS A 27 8.651 -4.703 1.378 1.00 0.00 C ATOM 464 ND1 HIS A 27 9.979 -4.929 1.085 1.00 0.00 N ATOM 465 CD2 HIS A 27 8.066 -5.924 1.427 1.00 0.00 C ATOM 466 CE1 HIS A 27 10.186 -6.228 0.961 1.00 0.00 C ATOM 467 NE2 HIS A 27 9.042 -6.853 1.165 1.00 0.00 N ATOM 0 H HIS A 27 6.723 -2.712 3.567 1.00 0.00 H new ATOM 0 HA HIS A 27 9.522 -3.167 3.168 1.00 0.00 H new ATOM 0 HB2 HIS A 27 7.002 -3.413 1.705 1.00 0.00 H new ATOM 0 HB3 HIS A 27 8.258 -2.739 0.686 1.00 0.00 H new ATOM 0 HD2 HIS A 27 7.026 -6.128 1.634 1.00 0.00 H new ATOM 0 HE1 HIS A 27 11.131 -6.698 0.732 1.00 0.00 H new ATOM 0 HE2 HIS A 27 8.905 -7.863 1.133 1.00 0.00 H new ATOM 476 N LYS A 28 8.324 -0.206 2.592 1.00 0.00 N ATOM 477 CA LYS A 28 8.687 1.163 2.244 1.00 0.00 C ATOM 478 C LYS A 28 9.569 1.768 3.330 1.00 0.00 C ATOM 479 O LYS A 28 10.412 2.620 3.055 1.00 0.00 O ATOM 480 CB LYS A 28 7.435 2.022 2.028 1.00 0.00 C ATOM 481 CG LYS A 28 6.751 2.460 3.312 1.00 0.00 C ATOM 482 CD LYS A 28 7.368 3.733 3.867 1.00 0.00 C ATOM 483 CE LYS A 28 7.523 3.665 5.377 1.00 0.00 C ATOM 484 NZ LYS A 28 6.412 4.364 6.081 1.00 0.00 N ATOM 0 H LYS A 28 7.396 -0.307 3.004 1.00 0.00 H new ATOM 0 HA LYS A 28 9.248 1.142 1.310 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.710 2.908 1.456 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.723 1.461 1.423 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.690 2.622 3.123 1.00 0.00 H new ATOM 0 HG3 LYS A 28 6.825 1.665 4.054 1.00 0.00 H new ATOM 0 HD2 LYS A 28 8.343 3.896 3.407 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.744 4.586 3.602 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.553 2.622 5.692 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.474 4.113 5.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.243 3.909 7.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.668 5.361 6.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.548 4.311 5.505 1.00 0.00 H new ATOM 498 N GLN A 29 9.371 1.313 4.563 1.00 0.00 N ATOM 499 CA GLN A 29 10.153 1.800 5.689 1.00 0.00 C ATOM 500 C GLN A 29 11.589 1.298 5.595 1.00 0.00 C ATOM 501 O GLN A 29 12.534 2.030 5.889 1.00 0.00 O ATOM 502 CB GLN A 29 9.525 1.353 7.011 1.00 0.00 C ATOM 503 CG GLN A 29 10.379 1.665 8.229 1.00 0.00 C ATOM 504 CD GLN A 29 9.662 1.375 9.533 1.00 0.00 C ATOM 505 OE1 GLN A 29 9.643 0.238 10.005 1.00 0.00 O ATOM 506 NE2 GLN A 29 9.067 2.405 10.124 1.00 0.00 N ATOM 0 H GLN A 29 8.675 0.608 4.806 1.00 0.00 H new ATOM 0 HA GLN A 29 10.159 2.890 5.657 1.00 0.00 H new ATOM 0 HB2 GLN A 29 8.555 1.837 7.124 1.00 0.00 H new ATOM 0 HB3 GLN A 29 9.342 0.279 6.972 1.00 0.00 H new ATOM 0 HG2 GLN A 29 11.297 1.078 8.185 1.00 0.00 H new ATOM 0 HG3 GLN A 29 10.671 2.715 8.205 1.00 0.00 H new ATOM 0 HE21 GLN A 29 9.108 3.331 9.698 1.00 0.00 H new ATOM 0 HE22 GLN A 29 8.569 2.270 11.004 1.00 0.00 H new ATOM 515 N SER A 30 11.745 0.044 5.180 1.00 0.00 N ATOM 516 CA SER A 30 13.068 -0.552 5.043 1.00 0.00 C ATOM 517 C SER A 30 13.817 0.060 3.863 1.00 0.00 C ATOM 518 O SER A 30 15.000 0.386 3.964 1.00 0.00 O ATOM 519 CB SER A 30 12.952 -2.066 4.858 1.00 0.00 C ATOM 520 OG SER A 30 11.730 -2.411 4.229 1.00 0.00 O ATOM 0 H SER A 30 10.974 -0.576 4.934 1.00 0.00 H new ATOM 0 HA SER A 30 13.629 -0.347 5.955 1.00 0.00 H new ATOM 0 HB2 SER A 30 13.788 -2.427 4.259 1.00 0.00 H new ATOM 0 HB3 SER A 30 13.018 -2.560 5.827 1.00 0.00 H new ATOM 0 HG SER A 30 11.567 -1.805 3.476 1.00 0.00 H new ATOM 526 N ILE A 31 13.117 0.214 2.742 1.00 0.00 N ATOM 527 CA ILE A 31 13.712 0.785 1.541 1.00 0.00 C ATOM 528 C ILE A 31 13.989 2.277 1.719 1.00 0.00 C ATOM 529 O ILE A 31 14.851 2.843 1.045 1.00 0.00 O ATOM 530 CB ILE A 31 12.801 0.560 0.316 1.00 0.00 C ATOM 531 CG1 ILE A 31 13.589 0.798 -0.993 1.00 0.00 C ATOM 532 CG2 ILE A 31 11.542 1.420 0.414 1.00 0.00 C ATOM 533 CD1 ILE A 31 13.256 2.080 -1.737 1.00 0.00 C ATOM 0 H ILE A 31 12.137 -0.049 2.642 1.00 0.00 H new ATOM 0 HA ILE A 31 14.661 0.276 1.370 1.00 0.00 H new ATOM 0 HB ILE A 31 12.469 -0.478 0.302 1.00 0.00 H new ATOM 0 HG12 ILE A 31 14.654 0.801 -0.759 1.00 0.00 H new ATOM 0 HG13 ILE A 31 13.412 -0.045 -1.661 1.00 0.00 H new ATOM 0 HG21 ILE A 31 10.914 1.246 -0.460 1.00 0.00 H new ATOM 0 HG22 ILE A 31 10.990 1.156 1.316 1.00 0.00 H new ATOM 0 HG23 ILE A 31 11.823 2.472 0.455 1.00 0.00 H new ATOM 0 HD11 ILE A 31 13.865 2.146 -2.638 1.00 0.00 H new ATOM 0 HD12 ILE A 31 12.201 2.078 -2.011 1.00 0.00 H new ATOM 0 HD13 ILE A 31 13.462 2.937 -1.096 1.00 0.00 H new ATOM 545 N LYS A 32 13.257 2.909 2.636 1.00 0.00 N ATOM 546 CA LYS A 32 13.434 4.331 2.904 1.00 0.00 C ATOM 547 C LYS A 32 14.662 4.564 3.777 1.00 0.00 C ATOM 548 O LYS A 32 15.348 5.578 3.643 1.00 0.00 O ATOM 549 CB LYS A 32 12.194 4.906 3.591 1.00 0.00 C ATOM 550 CG LYS A 32 11.246 5.620 2.641 1.00 0.00 C ATOM 551 CD LYS A 32 10.856 4.731 1.472 1.00 0.00 C ATOM 552 CE LYS A 32 10.858 5.501 0.161 1.00 0.00 C ATOM 553 NZ LYS A 32 9.648 5.211 -0.657 1.00 0.00 N ATOM 0 H LYS A 32 12.539 2.458 3.203 1.00 0.00 H new ATOM 0 HA LYS A 32 13.578 4.839 1.951 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.657 4.098 4.087 1.00 0.00 H new ATOM 0 HB3 LYS A 32 12.510 5.603 4.367 1.00 0.00 H new ATOM 0 HG2 LYS A 32 10.350 5.927 3.181 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.719 6.528 2.267 1.00 0.00 H new ATOM 0 HD2 LYS A 32 11.550 3.893 1.404 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.865 4.312 1.647 1.00 0.00 H new ATOM 0 HE2 LYS A 32 10.908 6.570 0.368 1.00 0.00 H new ATOM 0 HE3 LYS A 32 11.751 5.245 -0.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 9.689 5.756 -1.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 9.613 4.195 -0.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.796 5.479 -0.124 1.00 0.00 H new ATOM 567 N LYS A 33 14.934 3.617 4.668 1.00 0.00 N ATOM 568 CA LYS A 33 16.082 3.717 5.561 1.00 0.00 C ATOM 569 C LYS A 33 17.380 3.513 4.790 1.00 0.00 C ATOM 570 O LYS A 33 18.385 4.171 5.060 1.00 0.00 O ATOM 571 CB LYS A 33 15.973 2.684 6.683 1.00 0.00 C ATOM 572 CG LYS A 33 14.981 3.069 7.769 1.00 0.00 C ATOM 573 CD LYS A 33 15.639 3.099 9.140 1.00 0.00 C ATOM 574 CE LYS A 33 14.607 3.213 10.250 1.00 0.00 C ATOM 575 NZ LYS A 33 13.604 4.278 9.970 1.00 0.00 N ATOM 0 H LYS A 33 14.376 2.772 4.791 1.00 0.00 H new ATOM 0 HA LYS A 33 16.090 4.715 5.999 1.00 0.00 H new ATOM 0 HB2 LYS A 33 15.678 1.726 6.256 1.00 0.00 H new ATOM 0 HB3 LYS A 33 16.956 2.543 7.133 1.00 0.00 H new ATOM 0 HG2 LYS A 33 14.558 4.048 7.546 1.00 0.00 H new ATOM 0 HG3 LYS A 33 14.154 2.359 7.777 1.00 0.00 H new ATOM 0 HD2 LYS A 33 16.229 2.193 9.282 1.00 0.00 H new ATOM 0 HD3 LYS A 33 16.329 3.941 9.195 1.00 0.00 H new ATOM 0 HE2 LYS A 33 14.097 2.257 10.371 1.00 0.00 H new ATOM 0 HE3 LYS A 33 15.110 3.427 11.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 13.081 4.500 10.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 14.090 5.133 9.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 12.940 3.946 9.242 1.00 0.00 H new ATOM 589 N LEU A 34 17.351 2.598 3.826 1.00 0.00 N ATOM 590 CA LEU A 34 18.527 2.308 3.013 1.00 0.00 C ATOM 591 C LEU A 34 18.841 3.471 2.078 1.00 0.00 C ATOM 592 O LEU A 34 20.002 3.835 1.894 1.00 0.00 O ATOM 593 CB LEU A 34 18.310 1.029 2.203 1.00 0.00 C ATOM 594 CG LEU A 34 18.974 -0.222 2.780 1.00 0.00 C ATOM 595 CD1 LEU A 34 18.144 -1.458 2.469 1.00 0.00 C ATOM 596 CD2 LEU A 34 20.385 -0.375 2.232 1.00 0.00 C ATOM 0 H LEU A 34 16.527 2.045 3.589 1.00 0.00 H new ATOM 0 HA LEU A 34 19.375 2.165 3.682 1.00 0.00 H new ATOM 0 HB2 LEU A 34 17.239 0.847 2.119 1.00 0.00 H new ATOM 0 HB3 LEU A 34 18.686 1.189 1.193 1.00 0.00 H new ATOM 0 HG LEU A 34 19.034 -0.113 3.863 1.00 0.00 H new ATOM 0 HD11 LEU A 34 18.632 -2.339 2.887 1.00 0.00 H new ATOM 0 HD12 LEU A 34 17.152 -1.350 2.908 1.00 0.00 H new ATOM 0 HD13 LEU A 34 18.053 -1.573 1.389 1.00 0.00 H new ATOM 0 HD21 LEU A 34 20.844 -1.270 2.652 1.00 0.00 H new ATOM 0 HD22 LEU A 34 20.346 -0.463 1.146 1.00 0.00 H new ATOM 0 HD23 LEU A 34 20.978 0.498 2.504 1.00 0.00 H new ATOM 608 N LYS A 35 17.800 4.051 1.487 1.00 0.00 N ATOM 609 CA LYS A 35 17.972 5.173 0.572 1.00 0.00 C ATOM 610 C LYS A 35 18.310 6.450 1.333 1.00 0.00 C ATOM 611 O LYS A 35 18.925 7.367 0.787 1.00 0.00 O ATOM 612 CB LYS A 35 16.705 5.380 -0.262 1.00 0.00 C ATOM 613 CG LYS A 35 15.546 5.968 0.524 1.00 0.00 C ATOM 614 CD LYS A 35 15.164 7.346 0.008 1.00 0.00 C ATOM 615 CE LYS A 35 13.873 7.840 0.640 1.00 0.00 C ATOM 616 NZ LYS A 35 14.127 8.855 1.699 1.00 0.00 N ATOM 0 H LYS A 35 16.831 3.763 1.625 1.00 0.00 H new ATOM 0 HA LYS A 35 18.802 4.940 -0.095 1.00 0.00 H new ATOM 0 HB2 LYS A 35 16.936 6.038 -1.100 1.00 0.00 H new ATOM 0 HB3 LYS A 35 16.398 4.423 -0.684 1.00 0.00 H new ATOM 0 HG2 LYS A 35 14.685 5.302 0.458 1.00 0.00 H new ATOM 0 HG3 LYS A 35 15.817 6.035 1.578 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.968 8.051 0.221 1.00 0.00 H new ATOM 0 HD3 LYS A 35 15.050 7.311 -1.075 1.00 0.00 H new ATOM 0 HE2 LYS A 35 13.233 8.271 -0.130 1.00 0.00 H new ATOM 0 HE3 LYS A 35 13.332 6.996 1.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.222 9.167 2.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 14.716 8.437 2.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 14.621 9.672 1.286 1.00 0.00 H new ATOM 630 N GLN A 36 17.908 6.504 2.599 1.00 0.00 N ATOM 631 CA GLN A 36 18.172 7.668 3.436 1.00 0.00 C ATOM 632 C GLN A 36 19.605 7.649 3.954 1.00 0.00 C ATOM 633 O GLN A 36 20.189 8.696 4.236 1.00 0.00 O ATOM 634 CB GLN A 36 17.193 7.710 4.612 1.00 0.00 C ATOM 635 CG GLN A 36 17.256 9.002 5.410 1.00 0.00 C ATOM 636 CD GLN A 36 16.621 8.871 6.781 1.00 0.00 C ATOM 637 OE1 GLN A 36 17.240 9.185 7.797 1.00 0.00 O ATOM 638 NE2 GLN A 36 15.378 8.404 6.815 1.00 0.00 N ATOM 0 H GLN A 36 17.398 5.755 3.067 1.00 0.00 H new ATOM 0 HA GLN A 36 18.035 8.562 2.827 1.00 0.00 H new ATOM 0 HB2 GLN A 36 16.179 7.575 4.235 1.00 0.00 H new ATOM 0 HB3 GLN A 36 17.401 6.872 5.277 1.00 0.00 H new ATOM 0 HG2 GLN A 36 18.297 9.305 5.523 1.00 0.00 H new ATOM 0 HG3 GLN A 36 16.753 9.793 4.854 1.00 0.00 H new ATOM 0 HE21 GLN A 36 14.902 8.156 5.947 1.00 0.00 H new ATOM 0 HE22 GLN A 36 14.899 8.293 7.709 1.00 0.00 H new ATOM 647 N SER A 37 20.168 6.451 4.077 1.00 0.00 N ATOM 648 CA SER A 37 21.535 6.294 4.561 1.00 0.00 C ATOM 649 C SER A 37 22.540 6.709 3.493 1.00 0.00 C ATOM 650 O SER A 37 23.660 7.114 3.804 1.00 0.00 O ATOM 651 CB SER A 37 21.786 4.845 4.981 1.00 0.00 C ATOM 652 OG SER A 37 22.590 4.783 6.146 1.00 0.00 O ATOM 0 H SER A 37 19.699 5.575 3.848 1.00 0.00 H new ATOM 0 HA SER A 37 21.665 6.943 5.427 1.00 0.00 H new ATOM 0 HB2 SER A 37 20.834 4.347 5.165 1.00 0.00 H new ATOM 0 HB3 SER A 37 22.275 4.307 4.169 1.00 0.00 H new ATOM 0 HG SER A 37 22.734 3.846 6.394 1.00 0.00 H new ATOM 658 N GLU A 38 22.133 6.606 2.231 1.00 0.00 N ATOM 659 CA GLU A 38 22.998 6.971 1.116 1.00 0.00 C ATOM 660 C GLU A 38 23.162 8.485 1.028 1.00 0.00 C ATOM 661 O GLU A 38 24.154 8.982 0.493 1.00 0.00 O ATOM 662 CB GLU A 38 22.430 6.430 -0.197 1.00 0.00 C ATOM 663 CG GLU A 38 23.437 6.416 -1.335 1.00 0.00 C ATOM 664 CD GLU A 38 22.810 6.751 -2.673 1.00 0.00 C ATOM 665 OE1 GLU A 38 21.905 6.008 -3.108 1.00 0.00 O ATOM 666 OE2 GLU A 38 23.223 7.757 -3.287 1.00 0.00 O ATOM 0 H GLU A 38 21.209 6.273 1.956 1.00 0.00 H new ATOM 0 HA GLU A 38 23.978 6.527 1.289 1.00 0.00 H new ATOM 0 HB2 GLU A 38 22.064 5.416 -0.034 1.00 0.00 H new ATOM 0 HB3 GLU A 38 21.572 7.036 -0.489 1.00 0.00 H new ATOM 0 HG2 GLU A 38 24.231 7.131 -1.121 1.00 0.00 H new ATOM 0 HG3 GLU A 38 23.901 5.432 -1.392 1.00 0.00 H new ATOM 673 N ASP A 39 22.183 9.215 1.555 1.00 0.00 N ATOM 674 CA ASP A 39 22.221 10.673 1.534 1.00 0.00 C ATOM 675 C ASP A 39 21.779 11.247 2.877 1.00 0.00 C ATOM 676 O ASP A 39 21.224 12.344 2.941 1.00 0.00 O ATOM 677 CB ASP A 39 21.325 11.210 0.418 1.00 0.00 C ATOM 678 CG ASP A 39 19.871 10.824 0.607 1.00 0.00 C ATOM 679 OD1 ASP A 39 19.135 11.588 1.266 1.00 0.00 O ATOM 680 OD2 ASP A 39 19.469 9.758 0.097 1.00 0.00 O ATOM 0 H ASP A 39 21.355 8.821 2.001 1.00 0.00 H new ATOM 0 HA ASP A 39 23.249 10.983 1.347 1.00 0.00 H new ATOM 0 HB2 ASP A 39 21.408 12.296 0.381 1.00 0.00 H new ATOM 0 HB3 ASP A 39 21.677 10.830 -0.541 1.00 0.00 H new ATOM 685 N ASP A 40 22.028 10.498 3.946 1.00 0.00 N ATOM 686 CA ASP A 40 21.655 10.933 5.287 1.00 0.00 C ATOM 687 C ASP A 40 20.177 11.306 5.346 1.00 0.00 C ATOM 688 O ASP A 40 19.453 11.170 4.361 1.00 0.00 O ATOM 689 CB ASP A 40 22.512 12.126 5.717 1.00 0.00 C ATOM 690 CG ASP A 40 23.067 11.964 7.118 1.00 0.00 C ATOM 691 OD1 ASP A 40 23.883 11.042 7.330 1.00 0.00 O ATOM 692 OD2 ASP A 40 22.688 12.759 8.003 1.00 0.00 O ATOM 0 H ASP A 40 22.486 9.587 3.910 1.00 0.00 H new ATOM 0 HA ASP A 40 21.830 10.104 5.973 1.00 0.00 H new ATOM 0 HB2 ASP A 40 23.336 12.250 5.015 1.00 0.00 H new ATOM 0 HB3 ASP A 40 21.914 13.036 5.669 1.00 0.00 H new ATOM 697 N ASP A 41 19.737 11.776 6.509 1.00 0.00 N ATOM 698 CA ASP A 41 18.346 12.169 6.697 1.00 0.00 C ATOM 699 C ASP A 41 17.912 13.165 5.625 1.00 0.00 C ATOM 700 O ASP A 41 18.733 14.031 5.257 1.00 0.00 O ATOM 701 CB ASP A 41 18.148 12.778 8.086 1.00 0.00 C ATOM 702 CG ASP A 41 16.766 12.504 8.646 1.00 0.00 C ATOM 703 OD1 ASP A 41 16.429 11.318 8.843 1.00 0.00 O ATOM 704 OD2 ASP A 41 16.020 13.477 8.887 1.00 0.00 O ATOM 705 OXT ASP A 41 16.755 13.069 5.164 1.00 0.00 O ATOM 0 H ASP A 41 20.324 11.894 7.335 1.00 0.00 H new ATOM 0 HA ASP A 41 17.728 11.276 6.609 1.00 0.00 H new ATOM 0 HB2 ASP A 41 18.899 12.376 8.766 1.00 0.00 H new ATOM 0 HB3 ASP A 41 18.309 13.855 8.034 1.00 0.00 H new TER 710 ASP A 41 ATOM 711 N ALA B 1 32.090 9.430 -2.064 1.00 0.00 N ATOM 712 CA ALA B 1 31.482 8.105 -1.779 1.00 0.00 C ATOM 713 C ALA B 1 30.462 7.729 -2.848 1.00 0.00 C ATOM 714 O ALA B 1 29.509 8.468 -3.097 1.00 0.00 O ATOM 715 CB ALA B 1 30.828 8.110 -0.404 1.00 0.00 C ATOM 0 H1 ALA B 1 32.491 9.824 -1.189 1.00 0.00 H new ATOM 0 H2 ALA B 1 32.844 9.321 -2.772 1.00 0.00 H new ATOM 0 H3 ALA B 1 31.361 10.075 -2.431 1.00 0.00 H new ATOM 0 HA ALA B 1 32.276 7.358 -1.791 1.00 0.00 H new ATOM 0 HB1 ALA B 1 30.386 7.133 -0.208 1.00 0.00 H new ATOM 0 HB2 ALA B 1 31.579 8.328 0.355 1.00 0.00 H new ATOM 0 HB3 ALA B 1 30.050 8.873 -0.374 1.00 0.00 H new ATOM 723 N LEU B 2 30.668 6.577 -3.477 1.00 0.00 N ATOM 724 CA LEU B 2 29.765 6.104 -4.521 1.00 0.00 C ATOM 725 C LEU B 2 29.789 4.582 -4.614 1.00 0.00 C ATOM 726 O LEU B 2 30.025 4.020 -5.683 1.00 0.00 O ATOM 727 CB LEU B 2 30.147 6.715 -5.870 1.00 0.00 C ATOM 728 CG LEU B 2 31.635 7.025 -6.043 1.00 0.00 C ATOM 729 CD1 LEU B 2 32.020 6.990 -7.514 1.00 0.00 C ATOM 730 CD2 LEU B 2 31.971 8.378 -5.433 1.00 0.00 C ATOM 0 H LEU B 2 31.452 5.954 -3.283 1.00 0.00 H new ATOM 0 HA LEU B 2 28.754 6.418 -4.261 1.00 0.00 H new ATOM 0 HB2 LEU B 2 29.840 6.031 -6.661 1.00 0.00 H new ATOM 0 HB3 LEU B 2 29.581 7.636 -6.007 1.00 0.00 H new ATOM 0 HG LEU B 2 32.210 6.260 -5.521 1.00 0.00 H new ATOM 0 HD11 LEU B 2 33.082 7.213 -7.618 1.00 0.00 H new ATOM 0 HD12 LEU B 2 31.816 5.999 -7.920 1.00 0.00 H new ATOM 0 HD13 LEU B 2 31.438 7.733 -8.060 1.00 0.00 H new ATOM 0 HD21 LEU B 2 33.033 8.583 -5.565 1.00 0.00 H new ATOM 0 HD22 LEU B 2 31.388 9.155 -5.927 1.00 0.00 H new ATOM 0 HD23 LEU B 2 31.733 8.367 -4.369 1.00 0.00 H new ATOM 742 N LYS B 3 29.541 3.920 -3.488 1.00 0.00 N ATOM 743 CA LYS B 3 29.533 2.462 -3.444 1.00 0.00 C ATOM 744 C LYS B 3 28.550 1.896 -4.464 1.00 0.00 C ATOM 745 O LYS B 3 28.849 0.920 -5.153 1.00 0.00 O ATOM 746 CB LYS B 3 29.166 1.975 -2.040 1.00 0.00 C ATOM 747 CG LYS B 3 29.856 2.746 -0.927 1.00 0.00 C ATOM 748 CD LYS B 3 31.345 2.901 -1.192 1.00 0.00 C ATOM 749 CE LYS B 3 32.149 2.836 0.096 1.00 0.00 C ATOM 750 NZ LYS B 3 31.552 3.682 1.167 1.00 0.00 N ATOM 0 H LYS B 3 29.343 4.370 -2.594 1.00 0.00 H new ATOM 0 HA LYS B 3 30.534 2.109 -3.693 1.00 0.00 H new ATOM 0 HB2 LYS B 3 28.087 2.052 -1.909 1.00 0.00 H new ATOM 0 HB3 LYS B 3 29.423 0.919 -1.952 1.00 0.00 H new ATOM 0 HG2 LYS B 3 29.399 3.731 -0.829 1.00 0.00 H new ATOM 0 HG3 LYS B 3 29.707 2.229 0.021 1.00 0.00 H new ATOM 0 HD2 LYS B 3 31.679 2.116 -1.871 1.00 0.00 H new ATOM 0 HD3 LYS B 3 31.530 3.853 -1.690 1.00 0.00 H new ATOM 0 HE2 LYS B 3 32.204 1.802 0.438 1.00 0.00 H new ATOM 0 HE3 LYS B 3 33.171 3.162 -0.097 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 32.284 3.929 1.863 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 31.166 4.552 0.748 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 30.789 3.157 1.639 1.00 0.00 H new ATOM 764 N LYS B 4 27.379 2.516 -4.556 1.00 0.00 N ATOM 765 CA LYS B 4 26.351 2.077 -5.493 1.00 0.00 C ATOM 766 C LYS B 4 25.742 0.744 -5.063 1.00 0.00 C ATOM 767 O LYS B 4 25.148 0.035 -5.875 1.00 0.00 O ATOM 768 CB LYS B 4 26.935 1.951 -6.901 1.00 0.00 C ATOM 769 CG LYS B 4 27.744 3.163 -7.335 1.00 0.00 C ATOM 770 CD LYS B 4 27.457 3.538 -8.779 1.00 0.00 C ATOM 771 CE LYS B 4 26.840 4.924 -8.882 1.00 0.00 C ATOM 772 NZ LYS B 4 26.853 5.435 -10.280 1.00 0.00 N ATOM 0 H LYS B 4 27.117 3.325 -3.993 1.00 0.00 H new ATOM 0 HA LYS B 4 25.561 2.828 -5.497 1.00 0.00 H new ATOM 0 HB2 LYS B 4 27.570 1.066 -6.944 1.00 0.00 H new ATOM 0 HB3 LYS B 4 26.122 1.794 -7.610 1.00 0.00 H new ATOM 0 HG2 LYS B 4 27.512 4.008 -6.686 1.00 0.00 H new ATOM 0 HG3 LYS B 4 28.807 2.953 -7.217 1.00 0.00 H new ATOM 0 HD2 LYS B 4 28.382 3.506 -9.355 1.00 0.00 H new ATOM 0 HD3 LYS B 4 26.782 2.804 -9.219 1.00 0.00 H new ATOM 0 HE2 LYS B 4 25.814 4.892 -8.517 1.00 0.00 H new ATOM 0 HE3 LYS B 4 27.386 5.613 -8.238 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 26.424 6.382 -10.307 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 27.834 5.489 -10.621 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 26.310 4.791 -10.890 1.00 0.00 H new ATOM 786 N HIS B 5 25.888 0.410 -3.784 1.00 0.00 N ATOM 787 CA HIS B 5 25.345 -0.835 -3.255 1.00 0.00 C ATOM 788 C HIS B 5 23.950 -0.610 -2.677 1.00 0.00 C ATOM 789 O HIS B 5 23.084 -1.485 -2.748 1.00 0.00 O ATOM 790 CB HIS B 5 26.278 -1.417 -2.188 1.00 0.00 C ATOM 791 CG HIS B 5 26.227 -0.699 -0.872 1.00 0.00 C ATOM 792 ND1 HIS B 5 26.113 -1.355 0.336 1.00 0.00 N ATOM 793 CD2 HIS B 5 26.276 0.622 -0.578 1.00 0.00 C ATOM 794 CE1 HIS B 5 26.093 -0.467 1.316 1.00 0.00 C ATOM 795 NE2 HIS B 5 26.191 0.737 0.787 1.00 0.00 N ATOM 0 H HIS B 5 26.377 0.984 -3.097 1.00 0.00 H new ATOM 0 HA HIS B 5 25.267 -1.550 -4.074 1.00 0.00 H new ATOM 0 HB2 HIS B 5 26.021 -2.464 -2.028 1.00 0.00 H new ATOM 0 HB3 HIS B 5 27.301 -1.393 -2.563 1.00 0.00 H new ATOM 0 HD1 HIS B 5 26.053 -2.366 0.455 1.00 0.00 H new ATOM 0 HD2 HIS B 5 26.365 1.433 -1.285 1.00 0.00 H new ATOM 0 HE1 HIS B 5 26.011 -0.690 2.370 1.00 0.00 H new ATOM 804 N HIS B 6 23.741 0.575 -2.110 1.00 0.00 N ATOM 805 CA HIS B 6 22.453 0.920 -1.525 1.00 0.00 C ATOM 806 C HIS B 6 21.373 0.957 -2.595 1.00 0.00 C ATOM 807 O HIS B 6 20.266 0.479 -2.379 1.00 0.00 O ATOM 808 CB HIS B 6 22.533 2.268 -0.808 1.00 0.00 C ATOM 809 CG HIS B 6 23.191 2.195 0.535 1.00 0.00 C ATOM 810 ND1 HIS B 6 23.717 3.168 1.319 1.00 0.00 N flip ATOM 811 CD2 HIS B 6 23.366 1.013 1.225 1.00 0.00 C flip ATOM 812 CE1 HIS B 6 24.193 2.561 2.454 1.00 0.00 C flip ATOM 813 NE2 HIS B 6 23.970 1.262 2.374 1.00 0.00 N flip ATOM 0 H HIS B 6 24.446 1.309 -2.044 1.00 0.00 H new ATOM 0 HA HIS B 6 22.193 0.153 -0.795 1.00 0.00 H new ATOM 0 HB2 HIS B 6 23.082 2.971 -1.434 1.00 0.00 H new ATOM 0 HB3 HIS B 6 21.526 2.667 -0.688 1.00 0.00 H new ATOM 0 HD2 HIS B 6 23.058 0.037 0.880 1.00 0.00 H new ATOM 0 HE1 HIS B 6 24.673 3.065 3.280 1.00 0.00 H new ATOM 0 HE2 HIS B 6 24.221 0.569 3.079 1.00 0.00 H new ATOM 822 N GLU B 7 21.706 1.519 -3.753 1.00 0.00 N ATOM 823 CA GLU B 7 20.761 1.600 -4.858 1.00 0.00 C ATOM 824 C GLU B 7 20.351 0.201 -5.306 1.00 0.00 C ATOM 825 O GLU B 7 19.264 0.006 -5.849 1.00 0.00 O ATOM 826 CB GLU B 7 21.376 2.367 -6.030 1.00 0.00 C ATOM 827 CG GLU B 7 22.616 1.705 -6.608 1.00 0.00 C ATOM 828 CD GLU B 7 23.214 2.491 -7.758 1.00 0.00 C ATOM 829 OE1 GLU B 7 23.894 3.504 -7.496 1.00 0.00 O ATOM 830 OE2 GLU B 7 23.001 2.092 -8.923 1.00 0.00 O ATOM 0 H GLU B 7 22.622 1.924 -3.949 1.00 0.00 H new ATOM 0 HA GLU B 7 19.874 2.134 -4.517 1.00 0.00 H new ATOM 0 HB2 GLU B 7 20.629 2.470 -6.817 1.00 0.00 H new ATOM 0 HB3 GLU B 7 21.632 3.374 -5.700 1.00 0.00 H new ATOM 0 HG2 GLU B 7 23.363 1.593 -5.822 1.00 0.00 H new ATOM 0 HG3 GLU B 7 22.361 0.702 -6.952 1.00 0.00 H new ATOM 837 N ASN B 8 21.229 -0.772 -5.065 1.00 0.00 N ATOM 838 CA ASN B 8 20.957 -2.157 -5.432 1.00 0.00 C ATOM 839 C ASN B 8 19.843 -2.727 -4.561 1.00 0.00 C ATOM 840 O ASN B 8 18.776 -3.092 -5.057 1.00 0.00 O ATOM 841 CB ASN B 8 22.222 -3.005 -5.287 1.00 0.00 C ATOM 842 CG ASN B 8 22.593 -3.715 -6.575 1.00 0.00 C ATOM 843 OD1 ASN B 8 21.780 -3.827 -7.492 1.00 0.00 O ATOM 844 ND2 ASN B 8 23.829 -4.198 -6.650 1.00 0.00 N ATOM 0 H ASN B 8 22.134 -0.625 -4.617 1.00 0.00 H new ATOM 0 HA ASN B 8 20.636 -2.181 -6.473 1.00 0.00 H new ATOM 0 HB2 ASN B 8 23.050 -2.368 -4.975 1.00 0.00 H new ATOM 0 HB3 ASN B 8 22.073 -3.743 -4.499 1.00 0.00 H new ATOM 0 HD21 ASN B 8 24.136 -4.684 -7.492 1.00 0.00 H new ATOM 0 HD22 ASN B 8 24.470 -4.082 -5.865 1.00 0.00 H new ATOM 851 N GLU B 9 20.089 -2.781 -3.254 1.00 0.00 N ATOM 852 CA GLU B 9 19.090 -3.285 -2.317 1.00 0.00 C ATOM 853 C GLU B 9 17.887 -2.341 -2.257 1.00 0.00 C ATOM 854 O GLU B 9 16.832 -2.694 -1.728 1.00 0.00 O ATOM 855 CB GLU B 9 19.700 -3.444 -0.924 1.00 0.00 C ATOM 856 CG GLU B 9 18.697 -3.879 0.133 1.00 0.00 C ATOM 857 CD GLU B 9 19.327 -4.721 1.224 1.00 0.00 C ATOM 858 OE1 GLU B 9 20.283 -4.239 1.869 1.00 0.00 O ATOM 859 OE2 GLU B 9 18.865 -5.862 1.435 1.00 0.00 O ATOM 0 H GLU B 9 20.965 -2.484 -2.823 1.00 0.00 H new ATOM 0 HA GLU B 9 18.752 -4.260 -2.667 1.00 0.00 H new ATOM 0 HB2 GLU B 9 20.506 -4.176 -0.971 1.00 0.00 H new ATOM 0 HB3 GLU B 9 20.146 -2.497 -0.622 1.00 0.00 H new ATOM 0 HG2 GLU B 9 18.239 -2.996 0.579 1.00 0.00 H new ATOM 0 HG3 GLU B 9 17.897 -4.447 -0.342 1.00 0.00 H new ATOM 866 N ILE B 10 18.055 -1.141 -2.810 1.00 0.00 N ATOM 867 CA ILE B 10 17.002 -0.140 -2.834 1.00 0.00 C ATOM 868 C ILE B 10 16.121 -0.336 -4.067 1.00 0.00 C ATOM 869 O ILE B 10 14.944 0.026 -4.066 1.00 0.00 O ATOM 870 CB ILE B 10 17.621 1.287 -2.806 1.00 0.00 C ATOM 871 CG1 ILE B 10 18.075 1.629 -1.386 1.00 0.00 C ATOM 872 CG2 ILE B 10 16.659 2.355 -3.317 1.00 0.00 C ATOM 873 CD1 ILE B 10 18.980 2.840 -1.318 1.00 0.00 C ATOM 0 H ILE B 10 18.924 -0.841 -3.252 1.00 0.00 H new ATOM 0 HA ILE B 10 16.376 -0.255 -1.949 1.00 0.00 H new ATOM 0 HB ILE B 10 18.478 1.279 -3.480 1.00 0.00 H new ATOM 0 HG12 ILE B 10 17.197 1.806 -0.765 1.00 0.00 H new ATOM 0 HG13 ILE B 10 18.597 0.771 -0.963 1.00 0.00 H new ATOM 0 HG21 ILE B 10 17.143 3.331 -3.275 1.00 0.00 H new ATOM 0 HG22 ILE B 10 16.381 2.132 -4.347 1.00 0.00 H new ATOM 0 HG23 ILE B 10 15.764 2.367 -2.694 1.00 0.00 H new ATOM 0 HD11 ILE B 10 19.263 3.025 -0.282 1.00 0.00 H new ATOM 0 HD12 ILE B 10 19.876 2.659 -1.912 1.00 0.00 H new ATOM 0 HD13 ILE B 10 18.454 3.710 -1.711 1.00 0.00 H new ATOM 885 N SER B 11 16.696 -0.926 -5.110 1.00 0.00 N ATOM 886 CA SER B 11 15.958 -1.188 -6.336 1.00 0.00 C ATOM 887 C SER B 11 15.028 -2.376 -6.132 1.00 0.00 C ATOM 888 O SER B 11 13.881 -2.369 -6.582 1.00 0.00 O ATOM 889 CB SER B 11 16.922 -1.464 -7.493 1.00 0.00 C ATOM 890 OG SER B 11 16.342 -1.104 -8.735 1.00 0.00 O ATOM 0 H SER B 11 17.669 -1.231 -5.129 1.00 0.00 H new ATOM 0 HA SER B 11 15.365 -0.308 -6.585 1.00 0.00 H new ATOM 0 HB2 SER B 11 17.845 -0.904 -7.343 1.00 0.00 H new ATOM 0 HB3 SER B 11 17.188 -2.521 -7.505 1.00 0.00 H new ATOM 0 HG SER B 11 16.977 -1.288 -9.458 1.00 0.00 H new ATOM 896 N HIS B 12 15.527 -3.389 -5.432 1.00 0.00 N ATOM 897 CA HIS B 12 14.739 -4.576 -5.150 1.00 0.00 C ATOM 898 C HIS B 12 13.628 -4.228 -4.155 1.00 0.00 C ATOM 899 O HIS B 12 12.453 -4.519 -4.396 1.00 0.00 O ATOM 900 CB HIS B 12 15.667 -5.706 -4.646 1.00 0.00 C ATOM 901 CG HIS B 12 15.162 -6.492 -3.472 1.00 0.00 C ATOM 902 ND1 HIS B 12 15.352 -6.309 -2.147 1.00 0.00 N flip ATOM 903 CD2 HIS B 12 14.365 -7.612 -3.593 1.00 0.00 C flip ATOM 904 CE1 HIS B 12 14.674 -7.309 -1.496 1.00 0.00 C flip ATOM 905 NE2 HIS B 12 14.087 -8.083 -2.390 1.00 0.00 N flip ATOM 0 H HIS B 12 16.473 -3.409 -5.051 1.00 0.00 H new ATOM 0 HA HIS B 12 14.255 -4.940 -6.056 1.00 0.00 H new ATOM 0 HB2 HIS B 12 15.848 -6.396 -5.470 1.00 0.00 H new ATOM 0 HB3 HIS B 12 16.629 -5.268 -4.379 1.00 0.00 H new ATOM 0 HD2 HIS B 12 14.022 -8.037 -4.525 1.00 0.00 H new ATOM 0 HE1 HIS B 12 14.628 -7.441 -0.425 1.00 0.00 H new ATOM 0 HE2 HIS B 12 13.517 -8.904 -2.187 1.00 0.00 H new ATOM 914 N HIS B 13 13.993 -3.577 -3.051 1.00 0.00 N ATOM 915 CA HIS B 13 13.000 -3.180 -2.065 1.00 0.00 C ATOM 916 C HIS B 13 12.035 -2.181 -2.689 1.00 0.00 C ATOM 917 O HIS B 13 10.877 -2.091 -2.289 1.00 0.00 O ATOM 918 CB HIS B 13 13.654 -2.560 -0.833 1.00 0.00 C ATOM 919 CG HIS B 13 14.564 -3.483 -0.091 1.00 0.00 C ATOM 920 ND1 HIS B 13 14.367 -4.846 -0.016 1.00 0.00 N ATOM 921 CD2 HIS B 13 15.679 -3.224 0.626 1.00 0.00 C ATOM 922 CE1 HIS B 13 15.326 -5.386 0.716 1.00 0.00 C ATOM 923 NE2 HIS B 13 16.135 -4.422 1.116 1.00 0.00 N ATOM 0 H HIS B 13 14.953 -3.319 -2.823 1.00 0.00 H new ATOM 0 HA HIS B 13 12.460 -4.072 -1.748 1.00 0.00 H new ATOM 0 HB2 HIS B 13 14.219 -1.680 -1.140 1.00 0.00 H new ATOM 0 HB3 HIS B 13 12.873 -2.216 -0.155 1.00 0.00 H new ATOM 0 HD1 HIS B 13 13.602 -5.357 -0.456 1.00 0.00 H new ATOM 0 HD2 HIS B 13 16.128 -2.255 0.784 1.00 0.00 H new ATOM 0 HE1 HIS B 13 15.430 -6.436 0.947 1.00 0.00 H new ATOM 932 N ALA B 14 12.521 -1.440 -3.684 1.00 0.00 N ATOM 933 CA ALA B 14 11.699 -0.458 -4.378 1.00 0.00 C ATOM 934 C ALA B 14 10.588 -1.161 -5.143 1.00 0.00 C ATOM 935 O ALA B 14 9.470 -0.659 -5.248 1.00 0.00 O ATOM 936 CB ALA B 14 12.550 0.380 -5.320 1.00 0.00 C ATOM 0 H ALA B 14 13.480 -1.503 -4.025 1.00 0.00 H new ATOM 0 HA ALA B 14 11.251 0.209 -3.642 1.00 0.00 H new ATOM 0 HB1 ALA B 14 11.919 1.108 -5.830 1.00 0.00 H new ATOM 0 HB2 ALA B 14 13.318 0.902 -4.749 1.00 0.00 H new ATOM 0 HB3 ALA B 14 13.023 -0.269 -6.057 1.00 0.00 H new ATOM 942 N LYS B 15 10.904 -2.343 -5.662 1.00 0.00 N ATOM 943 CA LYS B 15 9.928 -3.132 -6.397 1.00 0.00 C ATOM 944 C LYS B 15 8.931 -3.762 -5.427 1.00 0.00 C ATOM 945 O LYS B 15 7.802 -4.079 -5.801 1.00 0.00 O ATOM 946 CB LYS B 15 10.627 -4.220 -7.214 1.00 0.00 C ATOM 947 CG LYS B 15 9.802 -4.721 -8.389 1.00 0.00 C ATOM 948 CD LYS B 15 10.677 -5.376 -9.445 1.00 0.00 C ATOM 949 CE LYS B 15 10.957 -6.833 -9.113 1.00 0.00 C ATOM 950 NZ LYS B 15 12.326 -7.245 -9.532 1.00 0.00 N ATOM 0 H LYS B 15 11.826 -2.773 -5.586 1.00 0.00 H new ATOM 0 HA LYS B 15 9.391 -2.475 -7.082 1.00 0.00 H new ATOM 0 HB2 LYS B 15 11.575 -3.831 -7.586 1.00 0.00 H new ATOM 0 HB3 LYS B 15 10.861 -5.060 -6.560 1.00 0.00 H new ATOM 0 HG2 LYS B 15 9.060 -5.437 -8.035 1.00 0.00 H new ATOM 0 HG3 LYS B 15 9.256 -3.889 -8.833 1.00 0.00 H new ATOM 0 HD2 LYS B 15 10.187 -5.311 -10.416 1.00 0.00 H new ATOM 0 HD3 LYS B 15 11.619 -4.833 -9.526 1.00 0.00 H new ATOM 0 HE2 LYS B 15 10.843 -6.989 -8.040 1.00 0.00 H new ATOM 0 HE3 LYS B 15 10.220 -7.466 -9.607 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 12.478 -8.245 -9.288 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 12.427 -7.120 -10.560 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 13.031 -6.658 -9.041 1.00 0.00 H new ATOM 964 N GLU B 16 9.360 -3.941 -4.178 1.00 0.00 N ATOM 965 CA GLU B 16 8.509 -4.533 -3.151 1.00 0.00 C ATOM 966 C GLU B 16 7.435 -3.553 -2.678 1.00 0.00 C ATOM 967 O GLU B 16 6.280 -3.933 -2.505 1.00 0.00 O ATOM 968 CB GLU B 16 9.354 -4.994 -1.962 1.00 0.00 C ATOM 969 CG GLU B 16 9.662 -6.482 -1.975 1.00 0.00 C ATOM 970 CD GLU B 16 11.148 -6.771 -1.886 1.00 0.00 C ATOM 971 OE1 GLU B 16 11.933 -6.049 -2.536 1.00 0.00 O ATOM 972 OE2 GLU B 16 11.527 -7.718 -1.166 1.00 0.00 O ATOM 0 H GLU B 16 10.293 -3.684 -3.855 1.00 0.00 H new ATOM 0 HA GLU B 16 8.009 -5.394 -3.593 1.00 0.00 H new ATOM 0 HB2 GLU B 16 10.291 -4.438 -1.956 1.00 0.00 H new ATOM 0 HB3 GLU B 16 8.831 -4.748 -1.038 1.00 0.00 H new ATOM 0 HG2 GLU B 16 9.152 -6.962 -1.140 1.00 0.00 H new ATOM 0 HG3 GLU B 16 9.264 -6.924 -2.889 1.00 0.00 H new ATOM 979 N ILE B 17 7.816 -2.294 -2.473 1.00 0.00 N ATOM 980 CA ILE B 17 6.868 -1.275 -2.028 1.00 0.00 C ATOM 981 C ILE B 17 5.959 -0.858 -3.180 1.00 0.00 C ATOM 982 O ILE B 17 4.823 -0.434 -2.965 1.00 0.00 O ATOM 983 CB ILE B 17 7.599 -0.034 -1.459 1.00 0.00 C ATOM 984 CG1 ILE B 17 6.605 1.093 -1.135 1.00 0.00 C ATOM 985 CG2 ILE B 17 8.664 0.443 -2.434 1.00 0.00 C ATOM 986 CD1 ILE B 17 7.261 2.430 -0.856 1.00 0.00 C ATOM 0 H ILE B 17 8.769 -1.956 -2.607 1.00 0.00 H new ATOM 0 HA ILE B 17 6.264 -1.709 -1.231 1.00 0.00 H new ATOM 0 HB ILE B 17 8.087 -0.321 -0.528 1.00 0.00 H new ATOM 0 HG12 ILE B 17 5.914 1.206 -1.970 1.00 0.00 H new ATOM 0 HG13 ILE B 17 6.012 0.803 -0.268 1.00 0.00 H new ATOM 0 HG21 ILE B 17 9.170 1.316 -2.022 1.00 0.00 H new ATOM 0 HG22 ILE B 17 9.390 -0.353 -2.598 1.00 0.00 H new ATOM 0 HG23 ILE B 17 8.196 0.709 -3.382 1.00 0.00 H new ATOM 0 HD11 ILE B 17 6.494 3.173 -0.636 1.00 0.00 H new ATOM 0 HD12 ILE B 17 7.930 2.335 -0.001 1.00 0.00 H new ATOM 0 HD13 ILE B 17 7.831 2.745 -1.730 1.00 0.00 H new ATOM 998 N GLU B 18 6.464 -0.985 -4.402 1.00 0.00 N ATOM 999 CA GLU B 18 5.693 -0.626 -5.585 1.00 0.00 C ATOM 1000 C GLU B 18 4.648 -1.693 -5.893 1.00 0.00 C ATOM 1001 O GLU B 18 3.539 -1.382 -6.332 1.00 0.00 O ATOM 1002 CB GLU B 18 6.619 -0.438 -6.788 1.00 0.00 C ATOM 1003 CG GLU B 18 6.712 1.002 -7.265 1.00 0.00 C ATOM 1004 CD GLU B 18 6.423 1.145 -8.746 1.00 0.00 C ATOM 1005 OE1 GLU B 18 7.136 0.513 -9.555 1.00 0.00 O ATOM 1006 OE2 GLU B 18 5.482 1.887 -9.098 1.00 0.00 O ATOM 0 H GLU B 18 7.402 -1.333 -4.599 1.00 0.00 H new ATOM 0 HA GLU B 18 5.180 0.314 -5.383 1.00 0.00 H new ATOM 0 HB2 GLU B 18 7.617 -0.790 -6.526 1.00 0.00 H new ATOM 0 HB3 GLU B 18 6.266 -1.062 -7.609 1.00 0.00 H new ATOM 0 HG2 GLU B 18 6.009 1.614 -6.701 1.00 0.00 H new ATOM 0 HG3 GLU B 18 7.710 1.387 -7.054 1.00 0.00 H new ATOM 1013 N ARG B 19 5.004 -2.952 -5.657 1.00 0.00 N ATOM 1014 CA ARG B 19 4.092 -4.060 -5.907 1.00 0.00 C ATOM 1015 C ARG B 19 2.993 -4.099 -4.852 1.00 0.00 C ATOM 1016 O ARG B 19 1.817 -4.297 -5.169 1.00 0.00 O ATOM 1017 CB ARG B 19 4.855 -5.386 -5.917 1.00 0.00 C ATOM 1018 CG ARG B 19 3.956 -6.604 -6.057 1.00 0.00 C ATOM 1019 CD ARG B 19 4.745 -7.896 -5.921 1.00 0.00 C ATOM 1020 NE ARG B 19 4.264 -8.716 -4.813 1.00 0.00 N ATOM 1021 CZ ARG B 19 4.648 -9.971 -4.605 1.00 0.00 C ATOM 1022 NH1 ARG B 19 5.514 -10.546 -5.429 1.00 0.00 N ATOM 1023 NH2 ARG B 19 4.167 -10.652 -3.574 1.00 0.00 N ATOM 0 H ARG B 19 5.916 -3.229 -5.294 1.00 0.00 H new ATOM 0 HA ARG B 19 3.632 -3.910 -6.884 1.00 0.00 H new ATOM 0 HB2 ARG B 19 5.571 -5.377 -6.738 1.00 0.00 H new ATOM 0 HB3 ARG B 19 5.429 -5.472 -4.994 1.00 0.00 H new ATOM 0 HG2 ARG B 19 3.176 -6.571 -5.297 1.00 0.00 H new ATOM 0 HG3 ARG B 19 3.458 -6.581 -7.026 1.00 0.00 H new ATOM 0 HD2 ARG B 19 4.675 -8.463 -6.849 1.00 0.00 H new ATOM 0 HD3 ARG B 19 5.799 -7.663 -5.769 1.00 0.00 H new ATOM 0 HE ARG B 19 3.596 -8.303 -4.162 1.00 0.00 H new ATOM 0 HH11 ARG B 19 5.886 -10.025 -6.223 1.00 0.00 H new ATOM 0 HH12 ARG B 19 5.808 -11.509 -5.269 1.00 0.00 H new ATOM 0 HH21 ARG B 19 3.501 -10.213 -2.939 1.00 0.00 H new ATOM 0 HH22 ARG B 19 4.463 -11.615 -3.416 1.00 0.00 H new ATOM 1037 N LEU B 20 3.378 -3.900 -3.597 1.00 0.00 N ATOM 1038 CA LEU B 20 2.424 -3.904 -2.503 1.00 0.00 C ATOM 1039 C LEU B 20 1.513 -2.689 -2.600 1.00 0.00 C ATOM 1040 O LEU B 20 0.337 -2.752 -2.241 1.00 0.00 O ATOM 1041 CB LEU B 20 3.157 -3.915 -1.159 1.00 0.00 C ATOM 1042 CG LEU B 20 2.760 -5.048 -0.210 1.00 0.00 C ATOM 1043 CD1 LEU B 20 2.692 -6.372 -0.954 1.00 0.00 C ATOM 1044 CD2 LEU B 20 3.740 -5.138 0.950 1.00 0.00 C ATOM 0 H LEU B 20 4.344 -3.734 -3.315 1.00 0.00 H new ATOM 0 HA LEU B 20 1.814 -4.805 -2.572 1.00 0.00 H new ATOM 0 HB2 LEU B 20 4.229 -3.980 -1.348 1.00 0.00 H new ATOM 0 HB3 LEU B 20 2.979 -2.964 -0.658 1.00 0.00 H new ATOM 0 HG LEU B 20 1.770 -4.829 0.190 1.00 0.00 H new ATOM 0 HD11 LEU B 20 2.408 -7.164 -0.261 1.00 0.00 H new ATOM 0 HD12 LEU B 20 1.951 -6.304 -1.751 1.00 0.00 H new ATOM 0 HD13 LEU B 20 3.668 -6.598 -1.384 1.00 0.00 H new ATOM 0 HD21 LEU B 20 3.443 -5.949 1.615 1.00 0.00 H new ATOM 0 HD22 LEU B 20 4.741 -5.332 0.566 1.00 0.00 H new ATOM 0 HD23 LEU B 20 3.739 -4.198 1.501 1.00 0.00 H new ATOM 1056 N GLN B 21 2.062 -1.586 -3.101 1.00 0.00 N ATOM 1057 CA GLN B 21 1.296 -0.357 -3.259 1.00 0.00 C ATOM 1058 C GLN B 21 0.175 -0.557 -4.271 1.00 0.00 C ATOM 1059 O GLN B 21 -0.950 -0.102 -4.065 1.00 0.00 O ATOM 1060 CB GLN B 21 2.209 0.786 -3.707 1.00 0.00 C ATOM 1061 CG GLN B 21 1.463 2.072 -4.025 1.00 0.00 C ATOM 1062 CD GLN B 21 1.300 2.296 -5.515 1.00 0.00 C ATOM 1063 OE1 GLN B 21 0.192 2.520 -6.004 1.00 0.00 O ATOM 1064 NE2 GLN B 21 2.407 2.238 -6.247 1.00 0.00 N ATOM 0 H GLN B 21 3.034 -1.520 -3.404 1.00 0.00 H new ATOM 0 HA GLN B 21 0.857 -0.098 -2.295 1.00 0.00 H new ATOM 0 HB2 GLN B 21 2.940 0.984 -2.923 1.00 0.00 H new ATOM 0 HB3 GLN B 21 2.765 0.471 -4.590 1.00 0.00 H new ATOM 0 HG2 GLN B 21 0.480 2.043 -3.556 1.00 0.00 H new ATOM 0 HG3 GLN B 21 1.999 2.916 -3.591 1.00 0.00 H new ATOM 0 HE21 GLN B 21 3.304 2.050 -5.800 1.00 0.00 H new ATOM 0 HE22 GLN B 21 2.360 2.382 -7.256 1.00 0.00 H new ATOM 1073 N LYS B 22 0.488 -1.251 -5.362 1.00 0.00 N ATOM 1074 CA LYS B 22 -0.497 -1.520 -6.401 1.00 0.00 C ATOM 1075 C LYS B 22 -1.664 -2.320 -5.834 1.00 0.00 C ATOM 1076 O LYS B 22 -2.828 -2.004 -6.081 1.00 0.00 O ATOM 1077 CB LYS B 22 0.146 -2.282 -7.561 1.00 0.00 C ATOM 1078 CG LYS B 22 -0.836 -2.670 -8.654 1.00 0.00 C ATOM 1079 CD LYS B 22 -0.518 -4.041 -9.228 1.00 0.00 C ATOM 1080 CE LYS B 22 -1.478 -5.099 -8.710 1.00 0.00 C ATOM 1081 NZ LYS B 22 -2.187 -5.796 -9.819 1.00 0.00 N ATOM 0 H LYS B 22 1.414 -1.636 -5.548 1.00 0.00 H new ATOM 0 HA LYS B 22 -0.873 -0.567 -6.773 1.00 0.00 H new ATOM 0 HB2 LYS B 22 0.935 -1.668 -7.995 1.00 0.00 H new ATOM 0 HB3 LYS B 22 0.620 -3.184 -7.174 1.00 0.00 H new ATOM 0 HG2 LYS B 22 -1.849 -2.669 -8.251 1.00 0.00 H new ATOM 0 HG3 LYS B 22 -0.809 -1.926 -9.450 1.00 0.00 H new ATOM 0 HD2 LYS B 22 -0.571 -4.002 -10.316 1.00 0.00 H new ATOM 0 HD3 LYS B 22 0.504 -4.317 -8.968 1.00 0.00 H new ATOM 0 HE2 LYS B 22 -0.928 -5.829 -8.116 1.00 0.00 H new ATOM 0 HE3 LYS B 22 -2.208 -4.634 -8.048 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 -2.832 -6.510 -9.424 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 -2.732 -5.104 -10.371 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 -1.492 -6.262 -10.437 1.00 0.00 H new ATOM 1095 N GLU B 23 -1.342 -3.357 -5.066 1.00 0.00 N ATOM 1096 CA GLU B 23 -2.363 -4.200 -4.457 1.00 0.00 C ATOM 1097 C GLU B 23 -3.312 -3.367 -3.600 1.00 0.00 C ATOM 1098 O GLU B 23 -4.534 -3.529 -3.667 1.00 0.00 O ATOM 1099 CB GLU B 23 -1.711 -5.291 -3.604 1.00 0.00 C ATOM 1100 CG GLU B 23 -2.358 -6.657 -3.766 1.00 0.00 C ATOM 1101 CD GLU B 23 -1.753 -7.457 -4.904 1.00 0.00 C ATOM 1102 OE1 GLU B 23 -1.110 -6.845 -5.783 1.00 0.00 O ATOM 1103 OE2 GLU B 23 -1.923 -8.694 -4.916 1.00 0.00 O ATOM 0 H GLU B 23 -0.384 -3.632 -4.852 1.00 0.00 H new ATOM 0 HA GLU B 23 -2.938 -4.669 -5.256 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -0.656 -5.364 -3.867 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -1.758 -4.998 -2.555 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -2.253 -7.217 -2.837 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -3.426 -6.531 -3.943 1.00 0.00 H new ATOM 1110 N ILE B 24 -2.746 -2.465 -2.803 1.00 0.00 N ATOM 1111 CA ILE B 24 -3.554 -1.604 -1.944 1.00 0.00 C ATOM 1112 C ILE B 24 -4.356 -0.614 -2.798 1.00 0.00 C ATOM 1113 O ILE B 24 -5.394 -0.112 -2.373 1.00 0.00 O ATOM 1114 CB ILE B 24 -2.702 -0.857 -0.856 1.00 0.00 C ATOM 1115 CG1 ILE B 24 -2.395 0.600 -1.233 1.00 0.00 C ATOM 1116 CG2 ILE B 24 -1.402 -1.595 -0.571 1.00 0.00 C ATOM 1117 CD1 ILE B 24 -3.432 1.574 -0.716 1.00 0.00 C ATOM 0 H ILE B 24 -1.740 -2.312 -2.734 1.00 0.00 H new ATOM 0 HA ILE B 24 -4.246 -2.245 -1.398 1.00 0.00 H new ATOM 0 HB ILE B 24 -3.316 -0.843 0.045 1.00 0.00 H new ATOM 0 HG12 ILE B 24 -1.417 0.874 -0.837 1.00 0.00 H new ATOM 0 HG13 ILE B 24 -2.334 0.684 -2.318 1.00 0.00 H new ATOM 0 HG21 ILE B 24 -0.835 -1.053 0.186 1.00 0.00 H new ATOM 0 HG22 ILE B 24 -1.625 -2.598 -0.208 1.00 0.00 H new ATOM 0 HG23 ILE B 24 -0.814 -1.663 -1.486 1.00 0.00 H new ATOM 0 HD11 ILE B 24 -3.160 2.587 -1.014 1.00 0.00 H new ATOM 0 HD12 ILE B 24 -4.407 1.322 -1.133 1.00 0.00 H new ATOM 0 HD13 ILE B 24 -3.476 1.515 0.372 1.00 0.00 H new ATOM 1129 N GLU B 25 -3.855 -0.343 -4.004 1.00 0.00 N ATOM 1130 CA GLU B 25 -4.516 0.577 -4.922 1.00 0.00 C ATOM 1131 C GLU B 25 -5.761 -0.066 -5.522 1.00 0.00 C ATOM 1132 O GLU B 25 -6.701 0.623 -5.922 1.00 0.00 O ATOM 1133 CB GLU B 25 -3.556 0.996 -6.037 1.00 0.00 C ATOM 1134 CG GLU B 25 -3.893 2.344 -6.653 1.00 0.00 C ATOM 1135 CD GLU B 25 -4.020 2.279 -8.163 1.00 0.00 C ATOM 1136 OE1 GLU B 25 -5.047 1.762 -8.651 1.00 0.00 O ATOM 1137 OE2 GLU B 25 -3.092 2.745 -8.857 1.00 0.00 O ATOM 0 H GLU B 25 -2.992 -0.750 -4.365 1.00 0.00 H new ATOM 0 HA GLU B 25 -4.816 1.462 -4.362 1.00 0.00 H new ATOM 0 HB2 GLU B 25 -2.542 1.031 -5.638 1.00 0.00 H new ATOM 0 HB3 GLU B 25 -3.565 0.236 -6.818 1.00 0.00 H new ATOM 0 HG2 GLU B 25 -4.828 2.710 -6.229 1.00 0.00 H new ATOM 0 HG3 GLU B 25 -3.119 3.064 -6.388 1.00 0.00 H new ATOM 1144 N ARG B 26 -5.765 -1.393 -5.578 1.00 0.00 N ATOM 1145 CA ARG B 26 -6.898 -2.126 -6.122 1.00 0.00 C ATOM 1146 C ARG B 26 -8.030 -2.189 -5.102 1.00 0.00 C ATOM 1147 O ARG B 26 -9.193 -1.948 -5.431 1.00 0.00 O ATOM 1148 CB ARG B 26 -6.475 -3.541 -6.523 1.00 0.00 C ATOM 1149 CG ARG B 26 -7.249 -4.093 -7.708 1.00 0.00 C ATOM 1150 CD ARG B 26 -7.151 -5.608 -7.780 1.00 0.00 C ATOM 1151 NE ARG B 26 -6.919 -6.078 -9.144 1.00 0.00 N ATOM 1152 CZ ARG B 26 -6.698 -7.350 -9.457 1.00 0.00 C ATOM 1153 NH1 ARG B 26 -6.678 -8.276 -8.507 1.00 0.00 N ATOM 1154 NH2 ARG B 26 -6.495 -7.699 -10.721 1.00 0.00 N ATOM 0 H ARG B 26 -4.997 -1.981 -5.254 1.00 0.00 H new ATOM 0 HA ARG B 26 -7.253 -1.601 -7.009 1.00 0.00 H new ATOM 0 HB2 ARG B 26 -5.412 -3.539 -6.763 1.00 0.00 H new ATOM 0 HB3 ARG B 26 -6.608 -4.207 -5.670 1.00 0.00 H new ATOM 0 HG2 ARG B 26 -8.295 -3.798 -7.630 1.00 0.00 H new ATOM 0 HG3 ARG B 26 -6.864 -3.658 -8.630 1.00 0.00 H new ATOM 0 HD2 ARG B 26 -6.341 -5.950 -7.136 1.00 0.00 H new ATOM 0 HD3 ARG B 26 -8.071 -6.049 -7.396 1.00 0.00 H new ATOM 0 HE ARG B 26 -6.927 -5.391 -9.898 1.00 0.00 H new ATOM 0 HH11 ARG B 26 -6.833 -8.012 -7.534 1.00 0.00 H new ATOM 0 HH12 ARG B 26 -6.508 -9.252 -8.750 1.00 0.00 H new ATOM 0 HH21 ARG B 26 -6.508 -6.990 -11.454 1.00 0.00 H new ATOM 0 HH22 ARG B 26 -6.325 -8.676 -10.959 1.00 0.00 H new ATOM 1168 N HIS B 27 -7.681 -2.510 -3.859 1.00 0.00 N ATOM 1169 CA HIS B 27 -8.669 -2.601 -2.791 1.00 0.00 C ATOM 1170 C HIS B 27 -9.158 -1.217 -2.377 1.00 0.00 C ATOM 1171 O HIS B 27 -10.275 -1.068 -1.880 1.00 0.00 O ATOM 1172 CB HIS B 27 -8.081 -3.333 -1.584 1.00 0.00 C ATOM 1173 CG HIS B 27 -8.651 -4.702 -1.381 1.00 0.00 C ATOM 1174 ND1 HIS B 27 -8.067 -5.923 -1.432 1.00 0.00 N flip ATOM 1175 CD2 HIS B 27 -9.980 -4.928 -1.084 1.00 0.00 C flip ATOM 1176 CE1 HIS B 27 -9.043 -6.852 -1.170 1.00 0.00 C flip ATOM 1177 NE2 HIS B 27 -10.187 -6.227 -0.963 1.00 0.00 N flip ATOM 0 H HIS B 27 -6.724 -2.711 -3.568 1.00 0.00 H new ATOM 0 HA HIS B 27 -9.522 -3.166 -3.168 1.00 0.00 H new ATOM 0 HB2 HIS B 27 -7.001 -3.412 -1.708 1.00 0.00 H new ATOM 0 HB3 HIS B 27 -8.256 -2.738 -0.687 1.00 0.00 H new ATOM 0 HD2 HIS B 27 -10.733 -4.162 -0.969 1.00 0.00 H new ATOM 0 HE1 HIS B 27 -8.898 -7.922 -1.138 1.00 0.00 H new ATOM 0 HE2 HIS B 27 -11.079 -6.671 -0.746 1.00 0.00 H new ATOM 1186 N LYS B 28 -8.324 -0.205 -2.592 1.00 0.00 N ATOM 1187 CA LYS B 28 -8.687 1.163 -2.243 1.00 0.00 C ATOM 1188 C LYS B 28 -9.569 1.769 -3.328 1.00 0.00 C ATOM 1189 O LYS B 28 -10.413 2.621 -3.054 1.00 0.00 O ATOM 1190 CB LYS B 28 -7.435 2.022 -2.027 1.00 0.00 C ATOM 1191 CG LYS B 28 -6.751 2.461 -3.310 1.00 0.00 C ATOM 1192 CD LYS B 28 -7.368 3.735 -3.863 1.00 0.00 C ATOM 1193 CE LYS B 28 -7.523 3.668 -5.373 1.00 0.00 C ATOM 1194 NZ LYS B 28 -6.412 4.366 -6.077 1.00 0.00 N ATOM 0 H LYS B 28 -7.396 -0.306 -3.004 1.00 0.00 H new ATOM 0 HA LYS B 28 -9.248 1.141 -1.309 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -7.710 2.908 -1.454 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -6.723 1.460 -1.423 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -5.690 2.622 -3.121 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -6.826 1.667 -4.053 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -8.343 3.898 -3.403 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -6.743 4.588 -3.598 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -7.554 2.625 -5.689 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -8.474 4.117 -5.661 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -6.244 3.911 -6.997 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -6.667 5.363 -6.225 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -5.548 4.312 -5.501 1.00 0.00 H new ATOM 1208 N GLN B 29 -9.371 1.315 -4.562 1.00 0.00 N ATOM 1209 CA GLN B 29 -10.154 1.804 -5.688 1.00 0.00 C ATOM 1210 C GLN B 29 -11.589 1.301 -5.595 1.00 0.00 C ATOM 1211 O GLN B 29 -12.535 2.034 -5.888 1.00 0.00 O ATOM 1212 CB GLN B 29 -9.525 1.357 -7.010 1.00 0.00 C ATOM 1213 CG GLN B 29 -10.378 1.670 -8.228 1.00 0.00 C ATOM 1214 CD GLN B 29 -9.661 1.381 -9.533 1.00 0.00 C ATOM 1215 OE1 GLN B 29 -9.641 0.245 -10.005 1.00 0.00 O ATOM 1216 NE2 GLN B 29 -9.066 2.412 -10.122 1.00 0.00 N ATOM 0 H GLN B 29 -8.675 0.610 -4.806 1.00 0.00 H new ATOM 0 HA GLN B 29 -10.162 2.893 -5.655 1.00 0.00 H new ATOM 0 HB2 GLN B 29 -8.555 1.841 -7.123 1.00 0.00 H new ATOM 0 HB3 GLN B 29 -9.343 0.283 -6.971 1.00 0.00 H new ATOM 0 HG2 GLN B 29 -11.296 1.084 -8.185 1.00 0.00 H new ATOM 0 HG3 GLN B 29 -10.669 2.720 -8.203 1.00 0.00 H new ATOM 0 HE21 GLN B 29 -9.108 3.337 -9.695 1.00 0.00 H new ATOM 0 HE22 GLN B 29 -8.567 2.279 -11.002 1.00 0.00 H new ATOM 1225 N SER B 30 -11.745 0.047 -5.179 1.00 0.00 N ATOM 1226 CA SER B 30 -13.069 -0.549 -5.043 1.00 0.00 C ATOM 1227 C SER B 30 -13.817 0.063 -3.863 1.00 0.00 C ATOM 1228 O SER B 30 -15.001 0.388 -3.964 1.00 0.00 O ATOM 1229 CB SER B 30 -12.955 -2.063 -4.861 1.00 0.00 C ATOM 1230 OG SER B 30 -11.736 -2.410 -4.226 1.00 0.00 O ATOM 0 H SER B 30 -10.974 -0.573 -4.931 1.00 0.00 H new ATOM 0 HA SER B 30 -13.630 -0.344 -5.955 1.00 0.00 H new ATOM 0 HB2 SER B 30 -13.794 -2.425 -4.267 1.00 0.00 H new ATOM 0 HB3 SER B 30 -13.016 -2.555 -5.832 1.00 0.00 H new ATOM 0 HG SER B 30 -11.557 -1.781 -3.496 1.00 0.00 H new ATOM 1236 N ILE B 31 -13.118 0.216 -2.742 1.00 0.00 N ATOM 1237 CA ILE B 31 -13.712 0.787 -1.541 1.00 0.00 C ATOM 1238 C ILE B 31 -13.989 2.279 -1.717 1.00 0.00 C ATOM 1239 O ILE B 31 -14.851 2.844 -1.044 1.00 0.00 O ATOM 1240 CB ILE B 31 -12.802 0.559 -0.316 1.00 0.00 C ATOM 1241 CG1 ILE B 31 -13.589 0.797 0.994 1.00 0.00 C ATOM 1242 CG2 ILE B 31 -11.542 1.418 -0.414 1.00 0.00 C ATOM 1243 CD1 ILE B 31 -13.255 2.078 1.738 1.00 0.00 C ATOM 0 H ILE B 31 -12.138 -0.049 -2.642 1.00 0.00 H new ATOM 0 HA ILE B 31 -14.661 0.279 -1.371 1.00 0.00 H new ATOM 0 HB ILE B 31 -12.472 -0.480 -0.303 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -14.654 0.801 0.761 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -13.411 -0.046 1.661 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -10.913 1.243 0.459 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -10.991 1.154 -1.317 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -11.822 2.471 -0.454 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -13.863 2.144 2.640 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -12.200 2.075 2.011 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -13.462 2.935 1.097 1.00 0.00 H new ATOM 1255 N LYS B 32 -13.257 2.910 -2.633 1.00 0.00 N ATOM 1256 CA LYS B 32 -13.433 4.333 -2.901 1.00 0.00 C ATOM 1257 C LYS B 32 -14.661 4.568 -3.773 1.00 0.00 C ATOM 1258 O LYS B 32 -15.348 5.581 -3.639 1.00 0.00 O ATOM 1259 CB LYS B 32 -12.193 4.908 -3.588 1.00 0.00 C ATOM 1260 CG LYS B 32 -11.246 5.622 -2.637 1.00 0.00 C ATOM 1261 CD LYS B 32 -10.853 4.732 -1.470 1.00 0.00 C ATOM 1262 CE LYS B 32 -10.856 5.501 -0.158 1.00 0.00 C ATOM 1263 NZ LYS B 32 -9.646 5.209 0.659 1.00 0.00 N ATOM 0 H LYS B 32 -12.539 2.459 -3.200 1.00 0.00 H new ATOM 0 HA LYS B 32 -13.576 4.841 -1.947 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -11.655 4.100 -4.084 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -12.508 5.605 -4.364 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -10.351 5.932 -3.177 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -11.721 6.528 -2.261 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -11.544 3.892 -1.402 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -9.861 4.315 -1.647 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -10.906 6.570 -0.364 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -11.749 5.244 0.411 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -9.686 5.752 1.545 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -9.611 4.193 0.877 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -8.794 5.478 0.126 1.00 0.00 H new ATOM 1277 N LYS B 33 -14.933 3.621 -4.666 1.00 0.00 N ATOM 1278 CA LYS B 33 -16.081 3.721 -5.559 1.00 0.00 C ATOM 1279 C LYS B 33 -17.380 3.517 -4.788 1.00 0.00 C ATOM 1280 O LYS B 33 -18.384 4.176 -5.057 1.00 0.00 O ATOM 1281 CB LYS B 33 -15.971 2.689 -6.682 1.00 0.00 C ATOM 1282 CG LYS B 33 -14.980 3.072 -7.768 1.00 0.00 C ATOM 1283 CD LYS B 33 -15.638 3.104 -9.137 1.00 0.00 C ATOM 1284 CE LYS B 33 -14.607 3.219 -10.248 1.00 0.00 C ATOM 1285 NZ LYS B 33 -13.604 4.284 -9.968 1.00 0.00 N ATOM 0 H LYS B 33 -14.374 2.777 -4.790 1.00 0.00 H new ATOM 0 HA LYS B 33 -16.089 4.720 -5.996 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -15.676 1.730 -6.255 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -16.954 2.549 -7.132 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -14.554 4.050 -7.545 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -14.155 2.360 -7.776 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -16.228 2.199 -9.279 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -16.328 3.946 -9.191 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -14.097 2.263 -10.370 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -15.111 3.434 -11.190 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -13.081 4.506 -10.839 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -14.090 5.138 -9.628 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -12.939 3.952 -9.241 1.00 0.00 H new ATOM 1299 N LEU B 34 -17.352 2.601 -3.825 1.00 0.00 N ATOM 1300 CA LEU B 34 -18.527 2.312 -3.013 1.00 0.00 C ATOM 1301 C LEU B 34 -18.841 3.473 -2.076 1.00 0.00 C ATOM 1302 O LEU B 34 -20.002 3.838 -1.893 1.00 0.00 O ATOM 1303 CB LEU B 34 -18.311 1.031 -2.204 1.00 0.00 C ATOM 1304 CG LEU B 34 -18.976 -0.219 -2.781 1.00 0.00 C ATOM 1305 CD1 LEU B 34 -18.147 -1.456 -2.471 1.00 0.00 C ATOM 1306 CD2 LEU B 34 -20.388 -0.371 -2.236 1.00 0.00 C ATOM 0 H LEU B 34 -16.529 2.047 -3.589 1.00 0.00 H new ATOM 0 HA LEU B 34 -19.375 2.172 -3.683 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -17.240 0.848 -2.121 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -18.687 1.190 -1.193 1.00 0.00 H new ATOM 0 HG LEU B 34 -19.036 -0.109 -3.864 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -18.636 -2.336 -2.889 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -17.155 -1.349 -2.910 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -18.055 -1.571 -1.391 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -20.846 -1.266 -2.657 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -20.351 -0.459 -1.150 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -20.980 0.503 -2.509 1.00 0.00 H new ATOM 1318 N LYS B 35 -17.800 4.053 -1.485 1.00 0.00 N ATOM 1319 CA LYS B 35 -17.972 5.175 -0.569 1.00 0.00 C ATOM 1320 C LYS B 35 -18.310 6.453 -1.331 1.00 0.00 C ATOM 1321 O LYS B 35 -18.923 7.369 -0.783 1.00 0.00 O ATOM 1322 CB LYS B 35 -16.705 5.381 0.265 1.00 0.00 C ATOM 1323 CG LYS B 35 -15.546 5.971 -0.522 1.00 0.00 C ATOM 1324 CD LYS B 35 -15.163 7.348 -0.002 1.00 0.00 C ATOM 1325 CE LYS B 35 -13.873 7.843 -0.634 1.00 0.00 C ATOM 1326 NZ LYS B 35 -14.127 8.859 -1.693 1.00 0.00 N ATOM 0 H LYS B 35 -16.831 3.765 -1.624 1.00 0.00 H new ATOM 0 HA LYS B 35 -18.802 4.942 0.099 1.00 0.00 H new ATOM 0 HB2 LYS B 35 -16.935 6.038 1.104 1.00 0.00 H new ATOM 0 HB3 LYS B 35 -16.397 4.424 0.685 1.00 0.00 H new ATOM 0 HG2 LYS B 35 -14.686 5.305 -0.459 1.00 0.00 H new ATOM 0 HG3 LYS B 35 -15.818 6.041 -1.575 1.00 0.00 H new ATOM 0 HD2 LYS B 35 -15.967 8.054 -0.212 1.00 0.00 H new ATOM 0 HD3 LYS B 35 -15.047 7.310 1.081 1.00 0.00 H new ATOM 0 HE2 LYS B 35 -13.233 8.274 0.136 1.00 0.00 H new ATOM 0 HE3 LYS B 35 -13.332 6.999 -1.063 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 -13.222 9.171 -2.099 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 -14.716 8.441 -2.441 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 -14.621 9.676 -1.279 1.00 0.00 H new ATOM 1340 N GLN B 36 -17.909 6.507 -2.597 1.00 0.00 N ATOM 1341 CA GLN B 36 -18.172 7.672 -3.432 1.00 0.00 C ATOM 1342 C GLN B 36 -19.605 7.653 -3.951 1.00 0.00 C ATOM 1343 O GLN B 36 -20.189 8.701 -4.230 1.00 0.00 O ATOM 1344 CB GLN B 36 -17.192 7.714 -4.607 1.00 0.00 C ATOM 1345 CG GLN B 36 -17.256 9.006 -5.406 1.00 0.00 C ATOM 1346 CD GLN B 36 -16.622 8.875 -6.777 1.00 0.00 C ATOM 1347 OE1 GLN B 36 -17.243 9.189 -7.793 1.00 0.00 O ATOM 1348 NE2 GLN B 36 -15.380 8.409 -6.813 1.00 0.00 N ATOM 0 H GLN B 36 -17.401 5.757 -3.066 1.00 0.00 H new ATOM 0 HA GLN B 36 -18.036 8.565 -2.823 1.00 0.00 H new ATOM 0 HB2 GLN B 36 -16.178 7.580 -4.229 1.00 0.00 H new ATOM 0 HB3 GLN B 36 -17.398 6.875 -5.271 1.00 0.00 H new ATOM 0 HG2 GLN B 36 -18.297 9.308 -5.519 1.00 0.00 H new ATOM 0 HG3 GLN B 36 -16.753 9.798 -4.851 1.00 0.00 H new ATOM 0 HE21 GLN B 36 -14.903 8.161 -5.946 1.00 0.00 H new ATOM 0 HE22 GLN B 36 -14.902 8.299 -7.707 1.00 0.00 H new ATOM 1357 N SER B 37 -20.169 6.456 -4.075 1.00 0.00 N ATOM 1358 CA SER B 37 -21.536 6.301 -4.558 1.00 0.00 C ATOM 1359 C SER B 37 -22.540 6.715 -3.489 1.00 0.00 C ATOM 1360 O SER B 37 -23.659 7.124 -3.798 1.00 0.00 O ATOM 1361 CB SER B 37 -21.789 4.852 -4.979 1.00 0.00 C ATOM 1362 OG SER B 37 -22.594 4.793 -6.144 1.00 0.00 O ATOM 0 H SER B 37 -19.700 5.579 -3.848 1.00 0.00 H new ATOM 0 HA SER B 37 -21.665 6.951 -5.423 1.00 0.00 H new ATOM 0 HB2 SER B 37 -20.838 4.352 -5.164 1.00 0.00 H new ATOM 0 HB3 SER B 37 -22.279 4.314 -4.167 1.00 0.00 H new ATOM 0 HG SER B 37 -22.740 3.857 -6.394 1.00 0.00 H new ATOM 1368 N GLU B 38 -22.134 6.608 -2.228 1.00 0.00 N ATOM 1369 CA GLU B 38 -22.998 6.972 -1.111 1.00 0.00 C ATOM 1370 C GLU B 38 -23.162 8.486 -1.022 1.00 0.00 C ATOM 1371 O GLU B 38 -24.154 8.982 -0.486 1.00 0.00 O ATOM 1372 CB GLU B 38 -22.429 6.430 0.202 1.00 0.00 C ATOM 1373 CG GLU B 38 -23.436 6.415 1.340 1.00 0.00 C ATOM 1374 CD GLU B 38 -22.809 6.750 2.678 1.00 0.00 C ATOM 1375 OE1 GLU B 38 -21.905 6.006 3.113 1.00 0.00 O ATOM 1376 OE2 GLU B 38 -23.222 7.757 3.292 1.00 0.00 O ATOM 0 H GLU B 38 -21.211 6.272 -1.954 1.00 0.00 H new ATOM 0 HA GLU B 38 -23.978 6.527 -1.283 1.00 0.00 H new ATOM 0 HB2 GLU B 38 -22.062 5.417 0.039 1.00 0.00 H new ATOM 0 HB3 GLU B 38 -21.571 7.036 0.494 1.00 0.00 H new ATOM 0 HG2 GLU B 38 -24.231 7.130 1.126 1.00 0.00 H new ATOM 0 HG3 GLU B 38 -23.900 5.430 1.397 1.00 0.00 H new ATOM 1383 N ASP B 39 -22.184 9.216 -1.550 1.00 0.00 N ATOM 1384 CA ASP B 39 -22.221 10.674 -1.529 1.00 0.00 C ATOM 1385 C ASP B 39 -21.779 11.249 -2.871 1.00 0.00 C ATOM 1386 O ASP B 39 -21.226 12.347 -2.935 1.00 0.00 O ATOM 1387 CB ASP B 39 -21.326 11.211 -0.412 1.00 0.00 C ATOM 1388 CG ASP B 39 -19.871 10.826 -0.601 1.00 0.00 C ATOM 1389 OD1 ASP B 39 -19.136 11.592 -1.260 1.00 0.00 O ATOM 1390 OD2 ASP B 39 -19.468 9.759 -0.092 1.00 0.00 O ATOM 0 H ASP B 39 -21.357 8.822 -1.997 1.00 0.00 H new ATOM 0 HA ASP B 39 -23.249 10.984 -1.342 1.00 0.00 H new ATOM 0 HB2 ASP B 39 -21.410 12.297 -0.374 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -21.678 10.830 0.547 1.00 0.00 H new ATOM 1395 N ASP B 40 -22.027 10.500 -3.941 1.00 0.00 N ATOM 1396 CA ASP B 40 -21.654 10.936 -5.281 1.00 0.00 C ATOM 1397 C ASP B 40 -20.177 11.310 -5.340 1.00 0.00 C ATOM 1398 O ASP B 40 -19.453 11.176 -4.354 1.00 0.00 O ATOM 1399 CB ASP B 40 -22.512 12.128 -5.710 1.00 0.00 C ATOM 1400 CG ASP B 40 -23.064 11.968 -7.113 1.00 0.00 C ATOM 1401 OD1 ASP B 40 -23.878 11.046 -7.329 1.00 0.00 O ATOM 1402 OD2 ASP B 40 -22.683 12.765 -7.996 1.00 0.00 O ATOM 0 H ASP B 40 -22.484 9.589 -3.906 1.00 0.00 H new ATOM 0 HA ASP B 40 -21.828 10.107 -5.967 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -23.338 12.248 -5.009 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -21.915 13.039 -5.659 1.00 0.00 H new ATOM 1407 N ASP B 41 -19.736 11.780 -6.502 1.00 0.00 N ATOM 1408 CA ASP B 41 -18.345 12.173 -6.689 1.00 0.00 C ATOM 1409 C ASP B 41 -17.912 13.168 -5.618 1.00 0.00 C ATOM 1410 O ASP B 41 -18.733 14.034 -5.249 1.00 0.00 O ATOM 1411 CB ASP B 41 -18.147 12.782 -8.078 1.00 0.00 C ATOM 1412 CG ASP B 41 -16.765 12.510 -8.639 1.00 0.00 C ATOM 1413 OD1 ASP B 41 -16.429 11.324 -8.838 1.00 0.00 O ATOM 1414 OD2 ASP B 41 -16.019 13.482 -8.878 1.00 0.00 O ATOM 1415 OXT ASP B 41 -16.755 13.073 -5.156 1.00 0.00 O ATOM 0 H ASP B 41 -20.322 11.898 -7.328 1.00 0.00 H new ATOM 0 HA ASP B 41 -17.727 11.280 -6.601 1.00 0.00 H new ATOM 0 HB2 ASP B 41 -18.898 12.379 -8.758 1.00 0.00 H new ATOM 0 HB3 ASP B 41 -18.309 13.859 -8.026 1.00 0.00 H new TER 1420 ASP B 41