USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 590 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 49 GLN :FLIP amide:sc= -0.0238 F(o=-2.9,f=-0.044) USER MOD Set 1.2: A 57 ASN :FLIP amide:sc= -0.0198 F(o=-2.3,f=-0.044) USER MOD Set 2.1: A 35 TYR OH : rot 165:sc= 0 USER MOD Set 2.2: A 39 HIS : no HE2:sc= -6.78! C(o=-6.8!,f=-13!) USER MOD Set 3.1: A 26 HIS : no HE2:sc= -2.04! C(o=-0.88!,f=-6.4!) USER MOD Set 3.2: A 30 TYR OH : rot 103:sc= 1.16 USER MOD Set 4.1: A 15 HIS : no HE2:sc= -4.77! C(o=-6.1!,f=-9.2!) USER MOD Set 4.2: A 20 SER OG : rot 180:sc= -1.33 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 0:sc= -1.4 USER MOD Single : A 8 THR OG1 : rot -102:sc= 0.113 USER MOD Single : A 13 GLN : amide:sc= -0.0175 X(o=-0.018,f=-0.0036) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 52:sc= 1.23 USER MOD Single : A 27 HIS : no HD1:sc= -4.56! C(o=-4.6!,f=-4.9!) USER MOD Single : A 28 LYS NZ :NH3+ -137:sc= -0.64 (180deg=-5.58!) USER MOD Single : A 33 THR OG1 : rot 105:sc= 1.98 USER MOD Single : A 34 LYS NZ :NH3+ -158:sc= 1.05 (180deg=0.898) USER MOD Single : A 55 THR OG1 : rot 22:sc= 0.245 USER MOD Single : A 63 HIS : no HE2:sc= -3.26! C(o=-3.3!,f=-8!) USER MOD Single : A 64 SER OG : rot 180:sc= 0.0563 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -68:sc= 1.01 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.569 X(o=-0.57,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 17 N LYS A 5 2.679 3.407 -8.514 1.00 0.00 N ATOM 18 CA LYS A 5 1.823 4.549 -8.785 1.00 0.00 C ATOM 19 C LYS A 5 2.018 4.993 -10.237 1.00 0.00 C ATOM 20 O LYS A 5 3.132 5.313 -10.648 1.00 0.00 O ATOM 21 CB LYS A 5 2.073 5.662 -7.765 1.00 0.00 C ATOM 22 CG LYS A 5 1.132 5.528 -6.566 1.00 0.00 C ATOM 23 CD LYS A 5 -0.035 6.511 -6.673 1.00 0.00 C ATOM 24 CE LYS A 5 -0.990 6.109 -7.798 1.00 0.00 C ATOM 25 NZ LYS A 5 -1.908 7.224 -8.122 1.00 0.00 N ATOM 0 HA LYS A 5 0.775 4.273 -8.671 1.00 0.00 H new ATOM 0 HB2 LYS A 5 3.108 5.623 -7.426 1.00 0.00 H new ATOM 0 HB3 LYS A 5 1.929 6.633 -8.238 1.00 0.00 H new ATOM 0 HG2 LYS A 5 0.750 4.509 -6.511 1.00 0.00 H new ATOM 0 HG3 LYS A 5 1.684 5.712 -5.644 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -0.575 6.544 -5.727 1.00 0.00 H new ATOM 0 HD3 LYS A 5 0.347 7.515 -6.857 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -0.420 5.830 -8.684 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -1.565 5.232 -7.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -2.549 6.934 -8.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -2.465 7.472 -7.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -1.356 8.051 -8.427 1.00 0.00 H new ATOM 39 N TYR A 6 0.917 4.996 -10.974 1.00 0.00 N ATOM 40 CA TYR A 6 0.952 5.394 -12.371 1.00 0.00 C ATOM 41 C TYR A 6 0.452 6.830 -12.545 1.00 0.00 C ATOM 42 O TYR A 6 -0.753 7.079 -12.520 1.00 0.00 O ATOM 43 CB TYR A 6 0.003 4.444 -13.105 1.00 0.00 C ATOM 44 CG TYR A 6 0.445 2.980 -13.076 1.00 0.00 C ATOM 45 CD1 TYR A 6 1.738 2.642 -13.423 1.00 0.00 C ATOM 46 CD2 TYR A 6 -0.448 1.997 -12.703 1.00 0.00 C ATOM 47 CE1 TYR A 6 2.153 1.263 -13.397 1.00 0.00 C ATOM 48 CE2 TYR A 6 -0.033 0.619 -12.676 1.00 0.00 C ATOM 49 CZ TYR A 6 1.247 0.320 -13.024 1.00 0.00 C ATOM 50 OH TYR A 6 1.639 -0.983 -12.999 1.00 0.00 O ATOM 0 H TYR A 6 -0.005 4.729 -10.630 1.00 0.00 H new ATOM 0 HA TYR A 6 1.970 5.348 -12.757 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -0.989 4.522 -12.660 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -0.086 4.766 -14.143 1.00 0.00 H new ATOM 0 HD1 TYR A 6 2.438 3.411 -13.714 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -1.459 2.261 -12.431 1.00 0.00 H new ATOM 0 HE1 TYR A 6 3.161 0.984 -13.668 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -0.723 -0.160 -12.386 1.00 0.00 H new ATOM 0 HH TYR A 6 0.889 -1.545 -12.713 1.00 0.00 H new ATOM 60 N TYR A 7 1.403 7.738 -12.716 1.00 0.00 N ATOM 61 CA TYR A 7 1.073 9.141 -12.894 1.00 0.00 C ATOM 62 C TYR A 7 0.919 9.485 -14.376 1.00 0.00 C ATOM 63 O TYR A 7 1.596 8.907 -15.225 1.00 0.00 O ATOM 64 CB TYR A 7 2.255 9.926 -12.321 1.00 0.00 C ATOM 65 CG TYR A 7 2.769 9.391 -10.983 1.00 0.00 C ATOM 66 CD1 TYR A 7 1.938 9.379 -9.881 1.00 0.00 C ATOM 67 CD2 TYR A 7 4.062 8.922 -10.879 1.00 0.00 C ATOM 68 CE1 TYR A 7 2.422 8.875 -8.621 1.00 0.00 C ATOM 69 CE2 TYR A 7 4.546 8.418 -9.619 1.00 0.00 C ATOM 70 CZ TYR A 7 3.702 8.419 -8.553 1.00 0.00 C ATOM 71 OH TYR A 7 4.158 7.943 -7.363 1.00 0.00 O ATOM 0 H TYR A 7 2.401 7.529 -12.735 1.00 0.00 H new ATOM 0 HA TYR A 7 0.131 9.380 -12.400 1.00 0.00 H new ATOM 0 HB2 TYR A 7 3.071 9.912 -13.043 1.00 0.00 H new ATOM 0 HB3 TYR A 7 1.959 10.967 -12.194 1.00 0.00 H new ATOM 0 HD1 TYR A 7 0.926 9.747 -9.963 1.00 0.00 H new ATOM 0 HD2 TYR A 7 4.711 8.933 -11.742 1.00 0.00 H new ATOM 0 HE1 TYR A 7 1.783 8.860 -7.750 1.00 0.00 H new ATOM 0 HE2 TYR A 7 5.556 8.048 -9.523 1.00 0.00 H new ATOM 0 HH TYR A 7 3.447 8.006 -6.691 1.00 0.00 H new ATOM 81 N THR A 8 0.022 10.424 -14.643 1.00 0.00 N ATOM 82 CA THR A 8 -0.230 10.851 -16.009 1.00 0.00 C ATOM 83 C THR A 8 0.906 11.747 -16.506 1.00 0.00 C ATOM 84 O THR A 8 1.526 12.463 -15.721 1.00 0.00 O ATOM 85 CB THR A 8 -1.600 11.531 -16.046 1.00 0.00 C ATOM 86 OG1 THR A 8 -1.657 12.264 -14.825 1.00 0.00 O ATOM 87 CG2 THR A 8 -2.753 10.531 -15.935 1.00 0.00 C ATOM 0 H THR A 8 -0.539 10.901 -13.937 1.00 0.00 H new ATOM 0 HA THR A 8 -0.254 10.001 -16.691 1.00 0.00 H new ATOM 0 HB THR A 8 -1.699 12.098 -16.972 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.213 11.781 -14.179 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.702 11.065 -15.966 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.705 9.827 -16.766 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.674 9.987 -14.994 1.00 0.00 H new ATOM 95 N LEU A 9 1.145 11.677 -17.808 1.00 0.00 N ATOM 96 CA LEU A 9 2.196 12.474 -18.419 1.00 0.00 C ATOM 97 C LEU A 9 1.987 13.946 -18.062 1.00 0.00 C ATOM 98 O LEU A 9 2.897 14.760 -18.212 1.00 0.00 O ATOM 99 CB LEU A 9 2.261 12.209 -19.924 1.00 0.00 C ATOM 100 CG LEU A 9 1.547 13.226 -20.816 1.00 0.00 C ATOM 101 CD1 LEU A 9 1.975 13.071 -22.276 1.00 0.00 C ATOM 102 CD2 LEU A 9 0.028 13.128 -20.650 1.00 0.00 C ATOM 0 H LEU A 9 0.629 11.081 -18.456 1.00 0.00 H new ATOM 0 HA LEU A 9 3.171 12.186 -18.025 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.309 12.168 -20.221 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.836 11.224 -20.118 1.00 0.00 H new ATOM 0 HG LEU A 9 1.843 14.226 -20.499 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.453 13.806 -22.888 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.050 13.229 -22.359 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.728 12.068 -22.623 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.457 13.861 -21.295 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.304 12.127 -20.925 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.238 13.326 -19.612 1.00 0.00 H new ATOM 114 N GLU A 10 0.784 14.244 -17.597 1.00 0.00 N ATOM 115 CA GLU A 10 0.443 15.605 -17.217 1.00 0.00 C ATOM 116 C GLU A 10 1.173 15.996 -15.930 1.00 0.00 C ATOM 117 O GLU A 10 1.690 17.107 -15.818 1.00 0.00 O ATOM 118 CB GLU A 10 -1.069 15.769 -17.061 1.00 0.00 C ATOM 119 CG GLU A 10 -1.642 16.653 -18.170 1.00 0.00 C ATOM 120 CD GLU A 10 -2.775 15.938 -18.911 1.00 0.00 C ATOM 121 OE1 GLU A 10 -2.641 14.710 -19.104 1.00 0.00 O ATOM 122 OE2 GLU A 10 -3.750 16.636 -19.266 1.00 0.00 O ATOM 0 H GLU A 10 0.032 13.566 -17.474 1.00 0.00 H new ATOM 0 HA GLU A 10 0.767 16.275 -18.013 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.549 14.791 -17.086 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.292 16.208 -16.089 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -2.013 17.584 -17.742 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.853 16.918 -18.874 1.00 0.00 H new ATOM 129 N GLU A 11 1.193 15.060 -14.992 1.00 0.00 N ATOM 130 CA GLU A 11 1.852 15.292 -13.718 1.00 0.00 C ATOM 131 C GLU A 11 3.250 15.872 -13.940 1.00 0.00 C ATOM 132 O GLU A 11 3.500 17.036 -13.633 1.00 0.00 O ATOM 133 CB GLU A 11 1.916 14.007 -12.892 1.00 0.00 C ATOM 134 CG GLU A 11 1.351 14.228 -11.487 1.00 0.00 C ATOM 135 CD GLU A 11 0.014 13.504 -11.314 1.00 0.00 C ATOM 136 OE1 GLU A 11 -0.851 13.689 -12.196 1.00 0.00 O ATOM 137 OE2 GLU A 11 -0.112 12.781 -10.302 1.00 0.00 O ATOM 0 H GLU A 11 0.764 14.140 -15.089 1.00 0.00 H new ATOM 0 HA GLU A 11 1.265 16.018 -13.155 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.354 13.220 -13.394 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.949 13.666 -12.823 1.00 0.00 H new ATOM 0 HG2 GLU A 11 2.063 13.868 -10.744 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.217 15.295 -11.309 1.00 0.00 H new ATOM 144 N ILE A 12 4.126 15.033 -14.473 1.00 0.00 N ATOM 145 CA ILE A 12 5.493 15.447 -14.740 1.00 0.00 C ATOM 146 C ILE A 12 5.502 16.917 -15.166 1.00 0.00 C ATOM 147 O ILE A 12 6.203 17.734 -14.572 1.00 0.00 O ATOM 148 CB ILE A 12 6.149 14.509 -15.756 1.00 0.00 C ATOM 149 CG1 ILE A 12 5.093 13.746 -16.559 1.00 0.00 C ATOM 150 CG2 ILE A 12 7.140 13.566 -15.072 1.00 0.00 C ATOM 151 CD1 ILE A 12 4.823 12.372 -15.944 1.00 0.00 C ATOM 0 H ILE A 12 3.916 14.068 -14.727 1.00 0.00 H new ATOM 0 HA ILE A 12 6.097 15.372 -13.836 1.00 0.00 H new ATOM 0 HB ILE A 12 6.716 15.114 -16.463 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.168 14.322 -16.590 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.430 13.627 -17.589 1.00 0.00 H new ATOM 0 HG21 ILE A 12 7.592 12.910 -15.817 1.00 0.00 H new ATOM 0 HG22 ILE A 12 7.919 14.150 -14.582 1.00 0.00 H new ATOM 0 HG23 ILE A 12 6.616 12.964 -14.329 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.069 11.851 -16.534 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.744 11.789 -15.937 1.00 0.00 H new ATOM 0 HD13 ILE A 12 4.463 12.495 -14.922 1.00 0.00 H new ATOM 163 N GLN A 13 4.715 17.207 -16.192 1.00 0.00 N ATOM 164 CA GLN A 13 4.623 18.564 -16.703 1.00 0.00 C ATOM 165 C GLN A 13 4.387 19.549 -15.557 1.00 0.00 C ATOM 166 O GLN A 13 5.046 20.585 -15.477 1.00 0.00 O ATOM 167 CB GLN A 13 3.523 18.679 -17.760 1.00 0.00 C ATOM 168 CG GLN A 13 3.932 17.974 -19.055 1.00 0.00 C ATOM 169 CD GLN A 13 4.791 18.890 -19.930 1.00 0.00 C ATOM 170 OE1 GLN A 13 4.298 19.728 -20.667 1.00 0.00 O ATOM 171 NE2 GLN A 13 6.099 18.683 -19.808 1.00 0.00 N ATOM 0 H GLN A 13 4.136 16.526 -16.683 1.00 0.00 H new ATOM 0 HA GLN A 13 5.569 18.815 -17.182 1.00 0.00 H new ATOM 0 HB2 GLN A 13 2.600 18.241 -17.379 1.00 0.00 H new ATOM 0 HB3 GLN A 13 3.317 19.730 -17.963 1.00 0.00 H new ATOM 0 HG2 GLN A 13 4.486 17.066 -18.819 1.00 0.00 H new ATOM 0 HG3 GLN A 13 3.041 17.670 -19.605 1.00 0.00 H new ATOM 0 HE21 GLN A 13 6.444 17.964 -19.172 1.00 0.00 H new ATOM 0 HE22 GLN A 13 6.757 19.243 -20.350 1.00 0.00 H new ATOM 180 N LYS A 14 3.444 19.191 -14.697 1.00 0.00 N ATOM 181 CA LYS A 14 3.113 20.031 -13.558 1.00 0.00 C ATOM 182 C LYS A 14 4.349 20.191 -12.671 1.00 0.00 C ATOM 183 O LYS A 14 4.528 21.226 -12.030 1.00 0.00 O ATOM 184 CB LYS A 14 1.894 19.475 -12.820 1.00 0.00 C ATOM 185 CG LYS A 14 0.700 19.327 -13.766 1.00 0.00 C ATOM 186 CD LYS A 14 0.354 20.663 -14.425 1.00 0.00 C ATOM 187 CE LYS A 14 -1.009 20.596 -15.117 1.00 0.00 C ATOM 188 NZ LYS A 14 -1.031 21.479 -16.305 1.00 0.00 N ATOM 0 H LYS A 14 2.899 18.331 -14.766 1.00 0.00 H new ATOM 0 HA LYS A 14 2.828 21.029 -13.890 1.00 0.00 H new ATOM 0 HB2 LYS A 14 2.139 18.507 -12.384 1.00 0.00 H new ATOM 0 HB3 LYS A 14 1.630 20.138 -11.996 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.929 18.587 -14.533 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.163 18.956 -13.213 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.346 21.452 -13.673 1.00 0.00 H new ATOM 0 HD3 LYS A 14 1.123 20.924 -15.152 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.222 19.570 -15.415 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.792 20.894 -14.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.963 21.422 -16.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.849 22.460 -16.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.296 21.176 -16.976 1.00 0.00 H new ATOM 202 N HIS A 15 5.170 19.152 -12.661 1.00 0.00 N ATOM 203 CA HIS A 15 6.384 19.163 -11.863 1.00 0.00 C ATOM 204 C HIS A 15 7.560 19.627 -12.725 1.00 0.00 C ATOM 205 O HIS A 15 8.534 18.898 -12.896 1.00 0.00 O ATOM 206 CB HIS A 15 6.624 17.797 -11.219 1.00 0.00 C ATOM 207 CG HIS A 15 5.359 17.031 -10.912 1.00 0.00 C ATOM 208 ND1 HIS A 15 4.329 17.560 -10.154 1.00 0.00 N ATOM 209 CD2 HIS A 15 4.970 15.774 -11.268 1.00 0.00 C ATOM 210 CE1 HIS A 15 3.368 16.653 -10.064 1.00 0.00 C ATOM 211 NE2 HIS A 15 3.766 15.546 -10.755 1.00 0.00 N ATOM 0 H HIS A 15 5.018 18.295 -13.194 1.00 0.00 H new ATOM 0 HA HIS A 15 6.277 19.872 -11.042 1.00 0.00 H new ATOM 0 HB2 HIS A 15 7.247 17.198 -11.883 1.00 0.00 H new ATOM 0 HB3 HIS A 15 7.185 17.936 -10.295 1.00 0.00 H new ATOM 0 HD1 HIS A 15 4.313 18.490 -9.736 1.00 0.00 H new ATOM 0 HD2 HIS A 15 5.543 15.081 -11.866 1.00 0.00 H new ATOM 0 HE1 HIS A 15 2.433 16.769 -9.536 1.00 0.00 H new ATOM 219 N LYS A 16 7.429 20.840 -13.244 1.00 0.00 N ATOM 220 CA LYS A 16 8.469 21.411 -14.082 1.00 0.00 C ATOM 221 C LYS A 16 9.153 22.555 -13.332 1.00 0.00 C ATOM 222 O LYS A 16 9.717 23.457 -13.949 1.00 0.00 O ATOM 223 CB LYS A 16 7.896 21.821 -15.440 1.00 0.00 C ATOM 224 CG LYS A 16 8.996 21.889 -16.502 1.00 0.00 C ATOM 225 CD LYS A 16 8.457 22.463 -17.814 1.00 0.00 C ATOM 226 CE LYS A 16 9.525 23.291 -18.530 1.00 0.00 C ATOM 227 NZ LYS A 16 8.998 24.630 -18.875 1.00 0.00 N ATOM 0 H LYS A 16 6.618 21.442 -13.100 1.00 0.00 H new ATOM 0 HA LYS A 16 9.237 20.668 -14.296 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.133 21.106 -15.747 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.408 22.792 -15.355 1.00 0.00 H new ATOM 0 HG2 LYS A 16 9.818 22.508 -16.141 1.00 0.00 H new ATOM 0 HG3 LYS A 16 9.400 20.892 -16.676 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.127 21.651 -18.462 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.585 23.085 -17.612 1.00 0.00 H new ATOM 0 HE2 LYS A 16 10.403 23.393 -17.892 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.847 22.776 -19.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.736 25.179 -19.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.174 24.528 -19.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.713 25.125 -18.006 1.00 0.00 H new ATOM 241 N ASP A 17 9.082 22.480 -12.012 1.00 0.00 N ATOM 242 CA ASP A 17 9.688 23.498 -11.171 1.00 0.00 C ATOM 243 C ASP A 17 10.449 22.823 -10.027 1.00 0.00 C ATOM 244 O ASP A 17 10.303 21.623 -9.804 1.00 0.00 O ATOM 245 CB ASP A 17 8.623 24.410 -10.556 1.00 0.00 C ATOM 246 CG ASP A 17 8.440 25.756 -11.261 1.00 0.00 C ATOM 247 OD1 ASP A 17 9.466 26.297 -11.727 1.00 0.00 O ATOM 248 OD2 ASP A 17 7.278 26.213 -11.318 1.00 0.00 O ATOM 0 H ASP A 17 8.614 21.730 -11.504 1.00 0.00 H new ATOM 0 HA ASP A 17 10.358 24.092 -11.792 1.00 0.00 H new ATOM 0 HB2 ASP A 17 7.669 23.883 -10.558 1.00 0.00 H new ATOM 0 HB3 ASP A 17 8.882 24.595 -9.514 1.00 0.00 H new ATOM 253 N SER A 18 11.243 23.625 -9.334 1.00 0.00 N ATOM 254 CA SER A 18 12.027 23.121 -8.220 1.00 0.00 C ATOM 255 C SER A 18 11.107 22.471 -7.184 1.00 0.00 C ATOM 256 O SER A 18 11.369 21.359 -6.727 1.00 0.00 O ATOM 257 CB SER A 18 12.849 24.238 -7.573 1.00 0.00 C ATOM 258 OG SER A 18 13.986 23.732 -6.880 1.00 0.00 O ATOM 0 H SER A 18 11.360 24.621 -9.522 1.00 0.00 H new ATOM 0 HA SER A 18 12.720 22.372 -8.602 1.00 0.00 H new ATOM 0 HB2 SER A 18 13.175 24.939 -8.341 1.00 0.00 H new ATOM 0 HB3 SER A 18 12.220 24.795 -6.879 1.00 0.00 H new ATOM 0 HG SER A 18 14.485 24.476 -6.483 1.00 0.00 H new ATOM 264 N LYS A 19 10.049 23.192 -6.844 1.00 0.00 N ATOM 265 CA LYS A 19 9.088 22.700 -5.872 1.00 0.00 C ATOM 266 C LYS A 19 8.774 21.232 -6.170 1.00 0.00 C ATOM 267 O LYS A 19 8.729 20.405 -5.259 1.00 0.00 O ATOM 268 CB LYS A 19 7.850 23.598 -5.839 1.00 0.00 C ATOM 269 CG LYS A 19 7.959 24.639 -4.721 1.00 0.00 C ATOM 270 CD LYS A 19 7.380 25.984 -5.167 1.00 0.00 C ATOM 271 CE LYS A 19 6.336 26.488 -4.169 1.00 0.00 C ATOM 272 NZ LYS A 19 5.184 27.085 -4.881 1.00 0.00 N ATOM 0 H LYS A 19 9.836 24.114 -7.225 1.00 0.00 H new ATOM 0 HA LYS A 19 9.509 22.740 -4.867 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.735 24.101 -6.799 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.958 22.989 -5.689 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.428 24.286 -3.837 1.00 0.00 H new ATOM 0 HG3 LYS A 19 9.004 24.765 -4.437 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.182 26.716 -5.261 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.926 25.880 -6.153 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.996 25.664 -3.542 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.785 27.228 -3.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.485 27.422 -4.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.511 27.884 -5.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.746 26.369 -5.495 1.00 0.00 H new ATOM 286 N SER A 20 8.563 20.952 -7.448 1.00 0.00 N ATOM 287 CA SER A 20 8.255 19.599 -7.877 1.00 0.00 C ATOM 288 C SER A 20 8.999 19.278 -9.175 1.00 0.00 C ATOM 289 O SER A 20 8.558 19.656 -10.258 1.00 0.00 O ATOM 290 CB SER A 20 6.748 19.412 -8.070 1.00 0.00 C ATOM 291 OG SER A 20 6.194 20.403 -8.932 1.00 0.00 O ATOM 0 H SER A 20 8.599 21.640 -8.200 1.00 0.00 H new ATOM 0 HA SER A 20 8.583 18.911 -7.098 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.555 18.422 -8.484 1.00 0.00 H new ATOM 0 HB3 SER A 20 6.250 19.455 -7.101 1.00 0.00 H new ATOM 0 HG SER A 20 5.231 20.249 -9.032 1.00 0.00 H new ATOM 297 N THR A 21 10.118 18.584 -9.021 1.00 0.00 N ATOM 298 CA THR A 21 10.929 18.209 -10.167 1.00 0.00 C ATOM 299 C THR A 21 10.843 16.701 -10.410 1.00 0.00 C ATOM 300 O THR A 21 11.324 15.910 -9.599 1.00 0.00 O ATOM 301 CB THR A 21 12.355 18.704 -9.919 1.00 0.00 C ATOM 302 OG1 THR A 21 12.300 20.093 -10.236 1.00 0.00 O ATOM 303 CG2 THR A 21 13.357 18.132 -10.926 1.00 0.00 C ATOM 0 H THR A 21 10.482 18.272 -8.120 1.00 0.00 H new ATOM 0 HA THR A 21 10.562 18.675 -11.081 1.00 0.00 H new ATOM 0 HB THR A 21 12.662 18.435 -8.908 1.00 0.00 H new ATOM 0 HG1 THR A 21 11.563 20.512 -9.744 1.00 0.00 H new ATOM 0 HG21 THR A 21 14.353 18.515 -10.705 1.00 0.00 H new ATOM 0 HG22 THR A 21 13.362 17.044 -10.856 1.00 0.00 H new ATOM 0 HG23 THR A 21 13.069 18.429 -11.934 1.00 0.00 H new ATOM 311 N TRP A 22 10.227 16.349 -11.528 1.00 0.00 N ATOM 312 CA TRP A 22 10.072 14.949 -11.888 1.00 0.00 C ATOM 313 C TRP A 22 10.786 14.722 -13.222 1.00 0.00 C ATOM 314 O TRP A 22 10.996 15.663 -13.986 1.00 0.00 O ATOM 315 CB TRP A 22 8.594 14.553 -11.926 1.00 0.00 C ATOM 316 CG TRP A 22 8.046 14.067 -10.582 1.00 0.00 C ATOM 317 CD1 TRP A 22 8.546 14.288 -9.360 1.00 0.00 C ATOM 318 CD2 TRP A 22 6.864 13.264 -10.377 1.00 0.00 C ATOM 319 NE1 TRP A 22 7.776 13.688 -8.384 1.00 0.00 N ATOM 320 CE2 TRP A 22 6.722 13.046 -9.022 1.00 0.00 C ATOM 321 CE3 TRP A 22 5.948 12.739 -11.305 1.00 0.00 C ATOM 322 CZ2 TRP A 22 5.672 12.299 -8.472 1.00 0.00 C ATOM 323 CZ3 TRP A 22 4.905 11.996 -10.739 1.00 0.00 C ATOM 324 CH2 TRP A 22 4.746 11.767 -9.378 1.00 0.00 C ATOM 0 H TRP A 22 9.829 17.008 -12.197 1.00 0.00 H new ATOM 0 HA TRP A 22 10.527 14.305 -11.136 1.00 0.00 H new ATOM 0 HB2 TRP A 22 8.007 15.410 -12.258 1.00 0.00 H new ATOM 0 HB3 TRP A 22 8.458 13.766 -12.668 1.00 0.00 H new ATOM 0 HD1 TRP A 22 9.439 14.863 -9.163 1.00 0.00 H new ATOM 0 HE1 TRP A 22 7.949 13.712 -7.379 1.00 0.00 H new ATOM 0 HE3 TRP A 22 6.041 12.896 -12.369 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 5.582 12.142 -7.407 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 4.172 11.571 -11.408 1.00 0.00 H new ATOM 0 HH2 TRP A 22 3.912 11.181 -9.020 1.00 0.00 H new ATOM 335 N VAL A 23 11.139 13.468 -13.461 1.00 0.00 N ATOM 336 CA VAL A 23 11.825 13.104 -14.690 1.00 0.00 C ATOM 337 C VAL A 23 11.553 11.632 -15.006 1.00 0.00 C ATOM 338 O VAL A 23 11.872 10.753 -14.207 1.00 0.00 O ATOM 339 CB VAL A 23 13.317 13.424 -14.570 1.00 0.00 C ATOM 340 CG1 VAL A 23 13.968 12.596 -13.461 1.00 0.00 C ATOM 341 CG2 VAL A 23 14.032 13.211 -15.905 1.00 0.00 C ATOM 0 H VAL A 23 10.963 12.691 -12.825 1.00 0.00 H new ATOM 0 HA VAL A 23 11.446 13.691 -15.527 1.00 0.00 H new ATOM 0 HB VAL A 23 13.413 14.476 -14.302 1.00 0.00 H new ATOM 0 HG11 VAL A 23 15.028 12.843 -13.397 1.00 0.00 H new ATOM 0 HG12 VAL A 23 13.485 12.819 -12.509 1.00 0.00 H new ATOM 0 HG13 VAL A 23 13.855 11.535 -13.685 1.00 0.00 H new ATOM 0 HG21 VAL A 23 15.091 13.445 -15.792 1.00 0.00 H new ATOM 0 HG22 VAL A 23 13.921 12.172 -16.215 1.00 0.00 H new ATOM 0 HG23 VAL A 23 13.594 13.864 -16.660 1.00 0.00 H new ATOM 351 N ILE A 24 10.966 11.409 -16.172 1.00 0.00 N ATOM 352 CA ILE A 24 10.647 10.059 -16.603 1.00 0.00 C ATOM 353 C ILE A 24 11.943 9.309 -16.916 1.00 0.00 C ATOM 354 O ILE A 24 12.580 9.563 -17.937 1.00 0.00 O ATOM 355 CB ILE A 24 9.656 10.088 -17.769 1.00 0.00 C ATOM 356 CG1 ILE A 24 8.345 10.761 -17.356 1.00 0.00 C ATOM 357 CG2 ILE A 24 9.428 8.684 -18.330 1.00 0.00 C ATOM 358 CD1 ILE A 24 7.660 11.411 -18.561 1.00 0.00 C ATOM 0 H ILE A 24 10.703 12.141 -16.832 1.00 0.00 H new ATOM 0 HA ILE A 24 10.147 9.512 -15.804 1.00 0.00 H new ATOM 0 HB ILE A 24 10.088 10.688 -18.570 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.679 10.024 -16.908 1.00 0.00 H new ATOM 0 HG13 ILE A 24 8.543 11.516 -16.595 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.720 8.733 -19.157 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.374 8.276 -18.686 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.027 8.040 -17.547 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.731 11.882 -18.241 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.319 12.165 -18.992 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.441 10.650 -19.310 1.00 0.00 H new ATOM 370 N LEU A 25 12.294 8.400 -16.019 1.00 0.00 N ATOM 371 CA LEU A 25 13.503 7.611 -16.187 1.00 0.00 C ATOM 372 C LEU A 25 13.126 6.137 -16.351 1.00 0.00 C ATOM 373 O LEU A 25 12.502 5.550 -15.468 1.00 0.00 O ATOM 374 CB LEU A 25 14.478 7.872 -15.038 1.00 0.00 C ATOM 375 CG LEU A 25 15.721 8.694 -15.385 1.00 0.00 C ATOM 376 CD1 LEU A 25 15.365 9.864 -16.304 1.00 0.00 C ATOM 377 CD2 LEU A 25 16.443 9.159 -14.119 1.00 0.00 C ATOM 0 H LEU A 25 11.763 8.192 -15.173 1.00 0.00 H new ATOM 0 HA LEU A 25 14.029 7.909 -17.094 1.00 0.00 H new ATOM 0 HB2 LEU A 25 13.940 8.384 -14.240 1.00 0.00 H new ATOM 0 HB3 LEU A 25 14.802 6.911 -14.638 1.00 0.00 H new ATOM 0 HG LEU A 25 16.412 8.053 -15.932 1.00 0.00 H new ATOM 0 HD11 LEU A 25 16.266 10.432 -16.535 1.00 0.00 H new ATOM 0 HD12 LEU A 25 14.930 9.482 -17.227 1.00 0.00 H new ATOM 0 HD13 LEU A 25 14.645 10.513 -15.805 1.00 0.00 H new ATOM 0 HD21 LEU A 25 17.323 9.741 -14.395 1.00 0.00 H new ATOM 0 HD22 LEU A 25 15.771 9.777 -13.523 1.00 0.00 H new ATOM 0 HD23 LEU A 25 16.750 8.291 -13.536 1.00 0.00 H new ATOM 389 N HIS A 26 13.521 5.581 -17.487 1.00 0.00 N ATOM 390 CA HIS A 26 13.232 4.187 -17.778 1.00 0.00 C ATOM 391 C HIS A 26 11.815 3.848 -17.311 1.00 0.00 C ATOM 392 O HIS A 26 11.630 2.979 -16.460 1.00 0.00 O ATOM 393 CB HIS A 26 14.294 3.273 -17.163 1.00 0.00 C ATOM 394 CG HIS A 26 15.120 3.930 -16.083 1.00 0.00 C ATOM 395 ND1 HIS A 26 15.996 4.971 -16.338 1.00 0.00 N ATOM 396 CD2 HIS A 26 15.193 3.685 -14.743 1.00 0.00 C ATOM 397 CE1 HIS A 26 16.566 5.327 -15.197 1.00 0.00 C ATOM 398 NE2 HIS A 26 16.067 4.529 -14.209 1.00 0.00 N ATOM 0 H HIS A 26 14.039 6.071 -18.217 1.00 0.00 H new ATOM 0 HA HIS A 26 13.271 4.020 -18.854 1.00 0.00 H new ATOM 0 HB2 HIS A 26 13.804 2.393 -16.746 1.00 0.00 H new ATOM 0 HB3 HIS A 26 14.959 2.924 -17.953 1.00 0.00 H new ATOM 0 HD1 HIS A 26 16.172 5.392 -17.250 1.00 0.00 H new ATOM 0 HD2 HIS A 26 14.634 2.932 -14.207 1.00 0.00 H new ATOM 0 HE1 HIS A 26 17.298 6.111 -15.071 1.00 0.00 H new ATOM 406 N HIS A 27 10.853 4.551 -17.889 1.00 0.00 N ATOM 407 CA HIS A 27 9.458 4.335 -17.542 1.00 0.00 C ATOM 408 C HIS A 27 9.293 4.381 -16.023 1.00 0.00 C ATOM 409 O HIS A 27 8.668 3.501 -15.435 1.00 0.00 O ATOM 410 CB HIS A 27 8.941 3.032 -18.155 1.00 0.00 C ATOM 411 CG HIS A 27 9.862 1.851 -17.953 1.00 0.00 C ATOM 412 ND1 HIS A 27 9.830 1.062 -16.818 1.00 0.00 N ATOM 413 CD2 HIS A 27 10.837 1.335 -18.755 1.00 0.00 C ATOM 414 CE1 HIS A 27 10.750 0.116 -16.940 1.00 0.00 C ATOM 415 NE2 HIS A 27 11.373 0.287 -18.141 1.00 0.00 N ATOM 0 H HIS A 27 11.011 5.270 -18.595 1.00 0.00 H new ATOM 0 HA HIS A 27 8.848 5.134 -17.963 1.00 0.00 H new ATOM 0 HB2 HIS A 27 7.968 2.799 -17.722 1.00 0.00 H new ATOM 0 HB3 HIS A 27 8.787 3.181 -19.224 1.00 0.00 H new ATOM 0 HD2 HIS A 27 11.124 1.714 -19.725 1.00 0.00 H new ATOM 0 HE1 HIS A 27 10.968 -0.655 -16.216 1.00 0.00 H new ATOM 0 HE2 HIS A 27 12.127 -0.295 -18.507 1.00 0.00 H new ATOM 423 N LYS A 28 9.867 5.418 -15.428 1.00 0.00 N ATOM 424 CA LYS A 28 9.792 5.590 -13.988 1.00 0.00 C ATOM 425 C LYS A 28 10.223 7.013 -13.626 1.00 0.00 C ATOM 426 O LYS A 28 11.405 7.345 -13.704 1.00 0.00 O ATOM 427 CB LYS A 28 10.598 4.503 -13.275 1.00 0.00 C ATOM 428 CG LYS A 28 9.674 3.449 -12.662 1.00 0.00 C ATOM 429 CD LYS A 28 10.460 2.483 -11.773 1.00 0.00 C ATOM 430 CE LYS A 28 9.701 2.191 -10.476 1.00 0.00 C ATOM 431 NZ LYS A 28 9.337 3.453 -9.793 1.00 0.00 N ATOM 0 H LYS A 28 10.386 6.147 -15.918 1.00 0.00 H new ATOM 0 HA LYS A 28 8.765 5.470 -13.643 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.279 4.028 -13.981 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.211 4.953 -12.494 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.897 3.938 -12.075 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.173 2.894 -13.455 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.640 1.552 -12.311 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.436 2.910 -11.540 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.801 1.617 -10.696 1.00 0.00 H new ATOM 0 HE3 LYS A 28 10.317 1.579 -9.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.516 3.360 -8.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.910 4.232 -10.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.329 3.655 -9.950 1.00 0.00 H new ATOM 445 N VAL A 29 9.243 7.815 -13.238 1.00 0.00 N ATOM 446 CA VAL A 29 9.507 9.194 -12.864 1.00 0.00 C ATOM 447 C VAL A 29 10.382 9.219 -11.610 1.00 0.00 C ATOM 448 O VAL A 29 10.224 8.384 -10.721 1.00 0.00 O ATOM 449 CB VAL A 29 8.188 9.949 -12.687 1.00 0.00 C ATOM 450 CG1 VAL A 29 7.258 9.716 -13.880 1.00 0.00 C ATOM 451 CG2 VAL A 29 7.504 9.560 -11.374 1.00 0.00 C ATOM 0 H VAL A 29 8.264 7.536 -13.174 1.00 0.00 H new ATOM 0 HA VAL A 29 10.056 9.706 -13.654 1.00 0.00 H new ATOM 0 HB VAL A 29 8.416 11.014 -12.643 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.328 10.264 -13.729 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.741 10.066 -14.792 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.042 8.652 -13.970 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.569 10.111 -11.274 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.296 8.490 -11.375 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.159 9.801 -10.537 1.00 0.00 H new ATOM 461 N TYR A 30 11.288 10.186 -11.578 1.00 0.00 N ATOM 462 CA TYR A 30 12.189 10.331 -10.448 1.00 0.00 C ATOM 463 C TYR A 30 11.977 11.675 -9.746 1.00 0.00 C ATOM 464 O TYR A 30 12.295 12.725 -10.301 1.00 0.00 O ATOM 465 CB TYR A 30 13.604 10.291 -11.030 1.00 0.00 C ATOM 466 CG TYR A 30 14.202 8.885 -11.113 1.00 0.00 C ATOM 467 CD1 TYR A 30 13.405 7.781 -10.885 1.00 0.00 C ATOM 468 CD2 TYR A 30 15.538 8.721 -11.416 1.00 0.00 C ATOM 469 CE1 TYR A 30 13.969 6.458 -10.963 1.00 0.00 C ATOM 470 CE2 TYR A 30 16.101 7.397 -11.494 1.00 0.00 C ATOM 471 CZ TYR A 30 15.289 6.332 -11.264 1.00 0.00 C ATOM 472 OH TYR A 30 15.821 5.082 -11.338 1.00 0.00 O ATOM 0 H TYR A 30 11.417 10.877 -12.317 1.00 0.00 H new ATOM 0 HA TYR A 30 12.015 9.543 -9.715 1.00 0.00 H new ATOM 0 HB2 TYR A 30 13.588 10.728 -12.029 1.00 0.00 H new ATOM 0 HB3 TYR A 30 14.255 10.916 -10.419 1.00 0.00 H new ATOM 0 HD1 TYR A 30 12.359 7.909 -10.648 1.00 0.00 H new ATOM 0 HD2 TYR A 30 16.161 9.585 -11.595 1.00 0.00 H new ATOM 0 HE1 TYR A 30 13.357 5.586 -10.786 1.00 0.00 H new ATOM 0 HE2 TYR A 30 17.145 7.254 -11.730 1.00 0.00 H new ATOM 0 HH TYR A 30 15.931 4.829 -12.278 1.00 0.00 H new ATOM 482 N ASP A 31 11.442 11.596 -8.537 1.00 0.00 N ATOM 483 CA ASP A 31 11.183 12.791 -7.754 1.00 0.00 C ATOM 484 C ASP A 31 12.496 13.289 -7.144 1.00 0.00 C ATOM 485 O ASP A 31 12.759 13.065 -5.963 1.00 0.00 O ATOM 486 CB ASP A 31 10.209 12.502 -6.610 1.00 0.00 C ATOM 487 CG ASP A 31 9.924 13.688 -5.687 1.00 0.00 C ATOM 488 OD1 ASP A 31 9.744 14.800 -6.231 1.00 0.00 O ATOM 489 OD2 ASP A 31 9.893 13.457 -4.459 1.00 0.00 O ATOM 0 H ASP A 31 11.181 10.722 -8.080 1.00 0.00 H new ATOM 0 HA ASP A 31 10.748 13.540 -8.416 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.266 12.157 -7.034 1.00 0.00 H new ATOM 0 HB3 ASP A 31 10.608 11.683 -6.011 1.00 0.00 H new ATOM 494 N LEU A 32 13.283 13.956 -7.975 1.00 0.00 N ATOM 495 CA LEU A 32 14.560 14.487 -7.532 1.00 0.00 C ATOM 496 C LEU A 32 14.401 15.970 -7.191 1.00 0.00 C ATOM 497 O LEU A 32 15.215 16.795 -7.601 1.00 0.00 O ATOM 498 CB LEU A 32 15.646 14.208 -8.573 1.00 0.00 C ATOM 499 CG LEU A 32 15.489 14.925 -9.915 1.00 0.00 C ATOM 500 CD1 LEU A 32 16.638 15.907 -10.151 1.00 0.00 C ATOM 501 CD2 LEU A 32 15.349 13.920 -11.061 1.00 0.00 C ATOM 0 H LEU A 32 13.061 14.141 -8.953 1.00 0.00 H new ATOM 0 HA LEU A 32 14.886 13.984 -6.622 1.00 0.00 H new ATOM 0 HB2 LEU A 32 16.610 14.485 -8.146 1.00 0.00 H new ATOM 0 HB3 LEU A 32 15.676 13.134 -8.759 1.00 0.00 H new ATOM 0 HG LEU A 32 14.569 15.509 -9.884 1.00 0.00 H new ATOM 0 HD11 LEU A 32 16.501 16.403 -11.112 1.00 0.00 H new ATOM 0 HD12 LEU A 32 16.648 16.653 -9.356 1.00 0.00 H new ATOM 0 HD13 LEU A 32 17.584 15.366 -10.153 1.00 0.00 H new ATOM 0 HD21 LEU A 32 15.239 14.456 -12.004 1.00 0.00 H new ATOM 0 HD22 LEU A 32 16.238 13.290 -11.103 1.00 0.00 H new ATOM 0 HD23 LEU A 32 14.471 13.297 -10.893 1.00 0.00 H new ATOM 513 N THR A 33 13.345 16.262 -6.445 1.00 0.00 N ATOM 514 CA THR A 33 13.068 17.631 -6.044 1.00 0.00 C ATOM 515 C THR A 33 14.133 18.125 -5.063 1.00 0.00 C ATOM 516 O THR A 33 14.696 19.204 -5.243 1.00 0.00 O ATOM 517 CB THR A 33 11.649 17.680 -5.476 1.00 0.00 C ATOM 518 OG1 THR A 33 10.826 17.265 -6.563 1.00 0.00 O ATOM 519 CG2 THR A 33 11.184 19.108 -5.183 1.00 0.00 C ATOM 0 H THR A 33 12.671 15.574 -6.108 1.00 0.00 H new ATOM 0 HA THR A 33 13.116 18.310 -6.896 1.00 0.00 H new ATOM 0 HB THR A 33 11.604 17.088 -4.562 1.00 0.00 H new ATOM 0 HG1 THR A 33 10.522 16.346 -6.411 1.00 0.00 H new ATOM 0 HG21 THR A 33 10.171 19.086 -4.782 1.00 0.00 H new ATOM 0 HG22 THR A 33 11.853 19.566 -4.454 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.197 19.691 -6.104 1.00 0.00 H new ATOM 527 N LYS A 34 14.375 17.313 -4.045 1.00 0.00 N ATOM 528 CA LYS A 34 15.362 17.654 -3.034 1.00 0.00 C ATOM 529 C LYS A 34 16.763 17.557 -3.641 1.00 0.00 C ATOM 530 O LYS A 34 17.646 18.343 -3.304 1.00 0.00 O ATOM 531 CB LYS A 34 15.172 16.790 -1.786 1.00 0.00 C ATOM 532 CG LYS A 34 13.688 16.508 -1.535 1.00 0.00 C ATOM 533 CD LYS A 34 13.352 15.044 -1.821 1.00 0.00 C ATOM 534 CE LYS A 34 12.142 14.930 -2.749 1.00 0.00 C ATOM 535 NZ LYS A 34 11.340 13.733 -2.411 1.00 0.00 N ATOM 0 H LYS A 34 13.905 16.420 -3.898 1.00 0.00 H new ATOM 0 HA LYS A 34 15.228 18.684 -2.704 1.00 0.00 H new ATOM 0 HB2 LYS A 34 15.710 15.849 -1.905 1.00 0.00 H new ATOM 0 HB3 LYS A 34 15.601 17.295 -0.921 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.439 16.747 -0.501 1.00 0.00 H new ATOM 0 HG3 LYS A 34 13.079 17.155 -2.167 1.00 0.00 H new ATOM 0 HD2 LYS A 34 14.212 14.552 -2.276 1.00 0.00 H new ATOM 0 HD3 LYS A 34 13.147 14.525 -0.885 1.00 0.00 H new ATOM 0 HE2 LYS A 34 11.525 15.824 -2.663 1.00 0.00 H new ATOM 0 HE3 LYS A 34 12.475 14.871 -3.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 10.767 13.455 -3.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 11.975 12.952 -2.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.713 13.950 -1.610 1.00 0.00 H new ATOM 549 N TYR A 35 16.923 16.583 -4.526 1.00 0.00 N ATOM 550 CA TYR A 35 18.201 16.373 -5.184 1.00 0.00 C ATOM 551 C TYR A 35 18.291 17.181 -6.479 1.00 0.00 C ATOM 552 O TYR A 35 19.123 16.893 -7.338 1.00 0.00 O ATOM 553 CB TYR A 35 18.260 14.881 -5.523 1.00 0.00 C ATOM 554 CG TYR A 35 19.580 14.441 -6.160 1.00 0.00 C ATOM 555 CD1 TYR A 35 20.681 14.193 -5.366 1.00 0.00 C ATOM 556 CD2 TYR A 35 19.668 14.289 -7.529 1.00 0.00 C ATOM 557 CE1 TYR A 35 21.922 13.778 -5.967 1.00 0.00 C ATOM 558 CE2 TYR A 35 20.909 13.875 -8.130 1.00 0.00 C ATOM 559 CZ TYR A 35 21.975 13.639 -7.319 1.00 0.00 C ATOM 560 OH TYR A 35 23.148 13.247 -7.886 1.00 0.00 O ATOM 0 H TYR A 35 16.189 15.931 -4.802 1.00 0.00 H new ATOM 0 HA TYR A 35 19.021 16.689 -4.539 1.00 0.00 H new ATOM 0 HB2 TYR A 35 18.098 14.305 -4.612 1.00 0.00 H new ATOM 0 HB3 TYR A 35 17.442 14.640 -6.202 1.00 0.00 H new ATOM 0 HD1 TYR A 35 20.612 14.310 -4.295 1.00 0.00 H new ATOM 0 HD2 TYR A 35 18.805 14.481 -8.150 1.00 0.00 H new ATOM 0 HE1 TYR A 35 22.792 13.581 -5.358 1.00 0.00 H new ATOM 0 HE2 TYR A 35 20.992 13.755 -9.200 1.00 0.00 H new ATOM 0 HH TYR A 35 22.985 12.960 -8.809 1.00 0.00 H new ATOM 570 N LEU A 36 17.425 18.178 -6.578 1.00 0.00 N ATOM 571 CA LEU A 36 17.397 19.031 -7.754 1.00 0.00 C ATOM 572 C LEU A 36 18.556 20.027 -7.685 1.00 0.00 C ATOM 573 O LEU A 36 19.273 20.220 -8.666 1.00 0.00 O ATOM 574 CB LEU A 36 16.025 19.693 -7.903 1.00 0.00 C ATOM 575 CG LEU A 36 15.915 20.776 -8.978 1.00 0.00 C ATOM 576 CD1 LEU A 36 16.652 22.048 -8.552 1.00 0.00 C ATOM 577 CD2 LEU A 36 16.405 20.257 -10.331 1.00 0.00 C ATOM 0 H LEU A 36 16.737 18.415 -5.863 1.00 0.00 H new ATOM 0 HA LEU A 36 17.540 18.438 -8.658 1.00 0.00 H new ATOM 0 HB2 LEU A 36 15.291 18.917 -8.121 1.00 0.00 H new ATOM 0 HB3 LEU A 36 15.750 20.132 -6.944 1.00 0.00 H new ATOM 0 HG LEU A 36 14.863 21.036 -9.094 1.00 0.00 H new ATOM 0 HD11 LEU A 36 16.558 22.802 -9.334 1.00 0.00 H new ATOM 0 HD12 LEU A 36 16.217 22.428 -7.627 1.00 0.00 H new ATOM 0 HD13 LEU A 36 17.706 21.821 -8.391 1.00 0.00 H new ATOM 0 HD21 LEU A 36 16.316 21.046 -11.077 1.00 0.00 H new ATOM 0 HD22 LEU A 36 17.448 19.952 -10.248 1.00 0.00 H new ATOM 0 HD23 LEU A 36 15.800 19.402 -10.633 1.00 0.00 H new ATOM 589 N GLU A 37 18.703 20.634 -6.517 1.00 0.00 N ATOM 590 CA GLU A 37 19.763 21.606 -6.306 1.00 0.00 C ATOM 591 C GLU A 37 21.026 20.910 -5.795 1.00 0.00 C ATOM 592 O GLU A 37 22.081 21.534 -5.682 1.00 0.00 O ATOM 593 CB GLU A 37 19.315 22.707 -5.344 1.00 0.00 C ATOM 594 CG GLU A 37 19.114 22.152 -3.932 1.00 0.00 C ATOM 595 CD GLU A 37 18.149 23.029 -3.131 1.00 0.00 C ATOM 596 OE1 GLU A 37 16.964 23.076 -3.525 1.00 0.00 O ATOM 597 OE2 GLU A 37 18.619 23.633 -2.143 1.00 0.00 O ATOM 0 H GLU A 37 18.106 20.472 -5.706 1.00 0.00 H new ATOM 0 HA GLU A 37 19.993 22.077 -7.262 1.00 0.00 H new ATOM 0 HB2 GLU A 37 20.060 23.502 -5.323 1.00 0.00 H new ATOM 0 HB3 GLU A 37 18.385 23.150 -5.700 1.00 0.00 H new ATOM 0 HG2 GLU A 37 18.725 21.135 -3.989 1.00 0.00 H new ATOM 0 HG3 GLU A 37 20.074 22.098 -3.418 1.00 0.00 H new ATOM 604 N GLU A 38 20.878 19.628 -5.499 1.00 0.00 N ATOM 605 CA GLU A 38 21.994 18.841 -5.002 1.00 0.00 C ATOM 606 C GLU A 38 22.775 18.231 -6.168 1.00 0.00 C ATOM 607 O GLU A 38 23.964 17.941 -6.039 1.00 0.00 O ATOM 608 CB GLU A 38 21.513 17.755 -4.037 1.00 0.00 C ATOM 609 CG GLU A 38 22.692 17.105 -3.311 1.00 0.00 C ATOM 610 CD GLU A 38 22.888 17.719 -1.923 1.00 0.00 C ATOM 611 OE1 GLU A 38 23.280 18.905 -1.877 1.00 0.00 O ATOM 612 OE2 GLU A 38 22.640 16.988 -0.940 1.00 0.00 O ATOM 0 H GLU A 38 20.002 19.114 -5.594 1.00 0.00 H new ATOM 0 HA GLU A 38 22.661 19.502 -4.450 1.00 0.00 H new ATOM 0 HB2 GLU A 38 20.827 18.188 -3.309 1.00 0.00 H new ATOM 0 HB3 GLU A 38 20.956 16.996 -4.587 1.00 0.00 H new ATOM 0 HG2 GLU A 38 22.519 16.033 -3.217 1.00 0.00 H new ATOM 0 HG3 GLU A 38 23.601 17.231 -3.900 1.00 0.00 H new ATOM 619 N HIS A 39 22.076 18.055 -7.280 1.00 0.00 N ATOM 620 CA HIS A 39 22.689 17.485 -8.467 1.00 0.00 C ATOM 621 C HIS A 39 23.995 18.222 -8.774 1.00 0.00 C ATOM 622 O HIS A 39 23.999 19.440 -8.947 1.00 0.00 O ATOM 623 CB HIS A 39 21.711 17.499 -9.643 1.00 0.00 C ATOM 624 CG HIS A 39 22.076 16.547 -10.757 1.00 0.00 C ATOM 625 ND1 HIS A 39 22.019 16.899 -12.094 1.00 0.00 N ATOM 626 CD2 HIS A 39 22.503 15.251 -10.718 1.00 0.00 C ATOM 627 CE1 HIS A 39 22.397 15.856 -12.818 1.00 0.00 C ATOM 628 NE2 HIS A 39 22.696 14.836 -11.964 1.00 0.00 N ATOM 0 H HIS A 39 21.091 18.297 -7.383 1.00 0.00 H new ATOM 0 HA HIS A 39 22.936 16.439 -8.287 1.00 0.00 H new ATOM 0 HB2 HIS A 39 20.715 17.249 -9.277 1.00 0.00 H new ATOM 0 HB3 HIS A 39 21.658 18.510 -10.046 1.00 0.00 H new ATOM 0 HD1 HIS A 39 21.734 17.807 -12.460 1.00 0.00 H new ATOM 0 HD2 HIS A 39 22.658 14.663 -9.825 1.00 0.00 H new ATOM 0 HE1 HIS A 39 22.458 15.820 -13.896 1.00 0.00 H new ATOM 636 N PRO A 40 25.100 17.431 -8.834 1.00 0.00 N ATOM 637 CA PRO A 40 26.409 17.995 -9.118 1.00 0.00 C ATOM 638 C PRO A 40 26.542 18.353 -10.598 1.00 0.00 C ATOM 639 O PRO A 40 27.240 19.304 -10.950 1.00 0.00 O ATOM 640 CB PRO A 40 27.399 16.931 -8.672 1.00 0.00 C ATOM 641 CG PRO A 40 26.610 15.635 -8.590 1.00 0.00 C ATOM 642 CD PRO A 40 25.132 15.985 -8.636 1.00 0.00 C ATOM 0 HA PRO A 40 26.587 18.933 -8.591 1.00 0.00 H new ATOM 0 HB2 PRO A 40 28.223 16.843 -9.380 1.00 0.00 H new ATOM 0 HB3 PRO A 40 27.835 17.184 -7.706 1.00 0.00 H new ATOM 0 HG2 PRO A 40 26.872 14.976 -9.418 1.00 0.00 H new ATOM 0 HG3 PRO A 40 26.847 15.101 -7.670 1.00 0.00 H new ATOM 0 HD2 PRO A 40 24.626 15.463 -9.448 1.00 0.00 H new ATOM 0 HD3 PRO A 40 24.629 15.701 -7.712 1.00 0.00 H new ATOM 650 N GLY A 41 25.863 17.574 -11.427 1.00 0.00 N ATOM 651 CA GLY A 41 25.897 17.798 -12.863 1.00 0.00 C ATOM 652 C GLY A 41 25.320 19.169 -13.218 1.00 0.00 C ATOM 653 O GLY A 41 26.032 20.036 -13.723 1.00 0.00 O ATOM 0 H GLY A 41 25.286 16.787 -11.132 1.00 0.00 H new ATOM 0 HA2 GLY A 41 26.924 17.728 -13.221 1.00 0.00 H new ATOM 0 HA3 GLY A 41 25.329 17.018 -13.370 1.00 0.00 H new ATOM 657 N GLY A 42 24.034 19.324 -12.939 1.00 0.00 N ATOM 658 CA GLY A 42 23.353 20.576 -13.223 1.00 0.00 C ATOM 659 C GLY A 42 21.923 20.557 -12.680 1.00 0.00 C ATOM 660 O GLY A 42 21.292 19.503 -12.618 1.00 0.00 O ATOM 0 H GLY A 42 23.446 18.604 -12.520 1.00 0.00 H new ATOM 0 HA2 GLY A 42 23.904 21.404 -12.777 1.00 0.00 H new ATOM 0 HA3 GLY A 42 23.335 20.749 -14.299 1.00 0.00 H new ATOM 664 N GLU A 43 21.451 21.736 -12.301 1.00 0.00 N ATOM 665 CA GLU A 43 20.107 21.867 -11.765 1.00 0.00 C ATOM 666 C GLU A 43 19.114 22.166 -12.891 1.00 0.00 C ATOM 667 O GLU A 43 17.911 21.969 -12.731 1.00 0.00 O ATOM 668 CB GLU A 43 20.050 22.948 -10.684 1.00 0.00 C ATOM 669 CG GLU A 43 20.316 24.333 -11.279 1.00 0.00 C ATOM 670 CD GLU A 43 21.081 25.216 -10.290 1.00 0.00 C ATOM 671 OE1 GLU A 43 20.429 25.698 -9.339 1.00 0.00 O ATOM 672 OE2 GLU A 43 22.299 25.389 -10.509 1.00 0.00 O ATOM 0 H GLU A 43 21.976 22.609 -12.355 1.00 0.00 H new ATOM 0 HA GLU A 43 19.828 20.921 -11.301 1.00 0.00 H new ATOM 0 HB2 GLU A 43 19.071 22.936 -10.204 1.00 0.00 H new ATOM 0 HB3 GLU A 43 20.787 22.733 -9.910 1.00 0.00 H new ATOM 0 HG2 GLU A 43 20.888 24.233 -12.201 1.00 0.00 H new ATOM 0 HG3 GLU A 43 19.371 24.808 -11.541 1.00 0.00 H new ATOM 679 N GLU A 44 19.655 22.636 -14.005 1.00 0.00 N ATOM 680 CA GLU A 44 18.833 22.964 -15.157 1.00 0.00 C ATOM 681 C GLU A 44 18.607 21.720 -16.019 1.00 0.00 C ATOM 682 O GLU A 44 17.469 21.367 -16.319 1.00 0.00 O ATOM 683 CB GLU A 44 19.461 24.093 -15.977 1.00 0.00 C ATOM 684 CG GLU A 44 18.479 24.623 -17.023 1.00 0.00 C ATOM 685 CD GLU A 44 19.163 24.796 -18.380 1.00 0.00 C ATOM 686 OE1 GLU A 44 19.895 23.861 -18.770 1.00 0.00 O ATOM 687 OE2 GLU A 44 18.939 25.860 -18.997 1.00 0.00 O ATOM 0 H GLU A 44 20.654 22.798 -14.134 1.00 0.00 H new ATOM 0 HA GLU A 44 17.865 23.315 -14.799 1.00 0.00 H new ATOM 0 HB2 GLU A 44 19.764 24.903 -15.314 1.00 0.00 H new ATOM 0 HB3 GLU A 44 20.363 23.731 -16.470 1.00 0.00 H new ATOM 0 HG2 GLU A 44 17.639 23.935 -17.120 1.00 0.00 H new ATOM 0 HG3 GLU A 44 18.071 25.578 -16.693 1.00 0.00 H new ATOM 694 N VAL A 45 19.712 21.091 -16.393 1.00 0.00 N ATOM 695 CA VAL A 45 19.649 19.894 -17.215 1.00 0.00 C ATOM 696 C VAL A 45 18.482 19.021 -16.749 1.00 0.00 C ATOM 697 O VAL A 45 17.895 18.288 -17.544 1.00 0.00 O ATOM 698 CB VAL A 45 20.993 19.164 -17.179 1.00 0.00 C ATOM 699 CG1 VAL A 45 21.708 19.397 -15.847 1.00 0.00 C ATOM 700 CG2 VAL A 45 20.812 17.669 -17.450 1.00 0.00 C ATOM 0 H VAL A 45 20.655 21.387 -16.142 1.00 0.00 H new ATOM 0 HA VAL A 45 19.463 20.155 -18.257 1.00 0.00 H new ATOM 0 HB VAL A 45 21.619 19.575 -17.971 1.00 0.00 H new ATOM 0 HG11 VAL A 45 22.661 18.867 -15.848 1.00 0.00 H new ATOM 0 HG12 VAL A 45 21.886 20.464 -15.711 1.00 0.00 H new ATOM 0 HG13 VAL A 45 21.087 19.026 -15.031 1.00 0.00 H new ATOM 0 HG21 VAL A 45 21.782 17.173 -17.419 1.00 0.00 H new ATOM 0 HG22 VAL A 45 20.160 17.238 -16.690 1.00 0.00 H new ATOM 0 HG23 VAL A 45 20.365 17.529 -18.434 1.00 0.00 H new ATOM 710 N LEU A 46 18.181 19.129 -15.464 1.00 0.00 N ATOM 711 CA LEU A 46 17.094 18.359 -14.882 1.00 0.00 C ATOM 712 C LEU A 46 15.768 19.075 -15.150 1.00 0.00 C ATOM 713 O LEU A 46 14.862 18.505 -15.758 1.00 0.00 O ATOM 714 CB LEU A 46 17.360 18.091 -13.400 1.00 0.00 C ATOM 715 CG LEU A 46 18.812 17.793 -13.022 1.00 0.00 C ATOM 716 CD1 LEU A 46 19.094 18.190 -11.573 1.00 0.00 C ATOM 717 CD2 LEU A 46 19.159 16.328 -13.294 1.00 0.00 C ATOM 0 H LEU A 46 18.671 19.738 -14.809 1.00 0.00 H new ATOM 0 HA LEU A 46 17.028 17.378 -15.352 1.00 0.00 H new ATOM 0 HB2 LEU A 46 17.027 18.958 -12.829 1.00 0.00 H new ATOM 0 HB3 LEU A 46 16.744 17.248 -13.087 1.00 0.00 H new ATOM 0 HG LEU A 46 19.461 18.400 -13.653 1.00 0.00 H new ATOM 0 HD11 LEU A 46 20.133 17.967 -11.330 1.00 0.00 H new ATOM 0 HD12 LEU A 46 18.912 19.257 -11.446 1.00 0.00 H new ATOM 0 HD13 LEU A 46 18.438 17.629 -10.908 1.00 0.00 H new ATOM 0 HD21 LEU A 46 20.197 16.142 -13.017 1.00 0.00 H new ATOM 0 HD22 LEU A 46 18.505 15.684 -12.706 1.00 0.00 H new ATOM 0 HD23 LEU A 46 19.022 16.112 -14.354 1.00 0.00 H new ATOM 729 N ARG A 47 15.695 20.313 -14.684 1.00 0.00 N ATOM 730 CA ARG A 47 14.495 21.111 -14.864 1.00 0.00 C ATOM 731 C ARG A 47 14.203 21.302 -16.354 1.00 0.00 C ATOM 732 O ARG A 47 13.116 20.975 -16.824 1.00 0.00 O ATOM 733 CB ARG A 47 14.640 22.482 -14.200 1.00 0.00 C ATOM 734 CG ARG A 47 14.640 22.356 -12.676 1.00 0.00 C ATOM 735 CD ARG A 47 13.992 23.579 -12.024 1.00 0.00 C ATOM 736 NE ARG A 47 14.834 24.064 -10.907 1.00 0.00 N ATOM 737 CZ ARG A 47 14.763 25.299 -10.393 1.00 0.00 C ATOM 738 NH1 ARG A 47 13.889 26.183 -10.893 1.00 0.00 N ATOM 739 NH2 ARG A 47 15.566 25.650 -9.380 1.00 0.00 N ATOM 0 H ARG A 47 16.448 20.783 -14.182 1.00 0.00 H new ATOM 0 HA ARG A 47 13.669 20.578 -14.394 1.00 0.00 H new ATOM 0 HB2 ARG A 47 15.566 22.953 -14.529 1.00 0.00 H new ATOM 0 HB3 ARG A 47 13.823 23.131 -14.515 1.00 0.00 H new ATOM 0 HG2 ARG A 47 14.102 21.455 -12.382 1.00 0.00 H new ATOM 0 HG3 ARG A 47 15.663 22.247 -12.317 1.00 0.00 H new ATOM 0 HD2 ARG A 47 13.863 24.370 -12.763 1.00 0.00 H new ATOM 0 HD3 ARG A 47 12.999 23.322 -11.656 1.00 0.00 H new ATOM 0 HE ARG A 47 15.511 23.417 -10.503 1.00 0.00 H new ATOM 0 HH11 ARG A 47 13.278 25.915 -11.665 1.00 0.00 H new ATOM 0 HH12 ARG A 47 13.835 27.123 -10.502 1.00 0.00 H new ATOM 0 HH21 ARG A 47 16.232 24.977 -9.000 1.00 0.00 H new ATOM 0 HH22 ARG A 47 15.512 26.590 -8.989 1.00 0.00 H new ATOM 753 N GLU A 48 15.196 21.830 -17.055 1.00 0.00 N ATOM 754 CA GLU A 48 15.060 22.069 -18.482 1.00 0.00 C ATOM 755 C GLU A 48 14.184 20.988 -19.119 1.00 0.00 C ATOM 756 O GLU A 48 13.290 21.293 -19.907 1.00 0.00 O ATOM 757 CB GLU A 48 16.431 22.134 -19.160 1.00 0.00 C ATOM 758 CG GLU A 48 16.285 22.329 -20.671 1.00 0.00 C ATOM 759 CD GLU A 48 17.458 21.693 -21.420 1.00 0.00 C ATOM 760 OE1 GLU A 48 18.580 21.751 -20.873 1.00 0.00 O ATOM 761 OE2 GLU A 48 17.205 21.163 -22.523 1.00 0.00 O ATOM 0 H GLU A 48 16.098 22.099 -16.661 1.00 0.00 H new ATOM 0 HA GLU A 48 14.574 23.034 -18.625 1.00 0.00 H new ATOM 0 HB2 GLU A 48 17.011 22.955 -18.738 1.00 0.00 H new ATOM 0 HB3 GLU A 48 16.984 21.216 -18.960 1.00 0.00 H new ATOM 0 HG2 GLU A 48 15.349 21.886 -21.010 1.00 0.00 H new ATOM 0 HG3 GLU A 48 16.236 23.393 -20.901 1.00 0.00 H new ATOM 768 N GLN A 49 14.473 19.747 -18.756 1.00 0.00 N ATOM 769 CA GLN A 49 13.723 18.619 -19.282 1.00 0.00 C ATOM 770 C GLN A 49 13.290 17.692 -18.145 1.00 0.00 C ATOM 771 O GLN A 49 13.463 16.476 -18.229 1.00 0.00 O ATOM 772 CB GLN A 49 14.539 17.858 -20.329 1.00 0.00 C ATOM 773 CG GLN A 49 15.864 17.370 -19.742 1.00 0.00 C ATOM 774 CD GLN A 49 16.889 17.105 -20.847 1.00 0.00 C ATOM 775 OE1 GLN A 49 16.669 15.987 -21.532 1.00 0.00 O flip ATOM 776 NE2 GLN A 49 17.818 17.867 -21.064 1.00 0.00 N flip ATOM 0 H GLN A 49 15.217 19.498 -18.104 1.00 0.00 H new ATOM 0 HA GLN A 49 12.828 19.001 -19.774 1.00 0.00 H new ATOM 0 HB2 GLN A 49 13.964 17.007 -20.695 1.00 0.00 H new ATOM 0 HB3 GLN A 49 14.732 18.505 -21.185 1.00 0.00 H new ATOM 0 HG2 GLN A 49 16.255 18.115 -19.049 1.00 0.00 H new ATOM 0 HG3 GLN A 49 15.698 16.458 -19.169 1.00 0.00 H new ATOM 0 HE21 GLN A 49 17.929 18.709 -20.500 1.00 0.00 H new ATOM 0 HE22 GLN A 49 18.483 17.661 -21.810 1.00 0.00 H new ATOM 785 N ALA A 50 12.736 18.300 -17.106 1.00 0.00 N ATOM 786 CA ALA A 50 12.277 17.544 -15.953 1.00 0.00 C ATOM 787 C ALA A 50 11.073 16.691 -16.355 1.00 0.00 C ATOM 788 O ALA A 50 11.232 15.558 -16.805 1.00 0.00 O ATOM 789 CB ALA A 50 11.954 18.506 -14.808 1.00 0.00 C ATOM 0 H ALA A 50 12.595 19.308 -17.039 1.00 0.00 H new ATOM 0 HA ALA A 50 13.057 16.869 -15.601 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.610 17.939 -13.943 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.849 19.068 -14.541 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.173 19.197 -15.123 1.00 0.00 H new ATOM 795 N GLY A 51 9.893 17.267 -16.177 1.00 0.00 N ATOM 796 CA GLY A 51 8.662 16.574 -16.515 1.00 0.00 C ATOM 797 C GLY A 51 8.807 15.810 -17.833 1.00 0.00 C ATOM 798 O GLY A 51 8.184 14.766 -18.020 1.00 0.00 O ATOM 0 H GLY A 51 9.764 18.207 -15.803 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.399 15.881 -15.716 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.846 17.292 -16.595 1.00 0.00 H new ATOM 802 N GLY A 52 9.634 16.360 -18.710 1.00 0.00 N ATOM 803 CA GLY A 52 9.869 15.742 -20.004 1.00 0.00 C ATOM 804 C GLY A 52 10.449 14.336 -19.844 1.00 0.00 C ATOM 805 O GLY A 52 10.001 13.569 -18.992 1.00 0.00 O ATOM 0 H GLY A 52 10.149 17.226 -18.550 1.00 0.00 H new ATOM 0 HA2 GLY A 52 8.934 15.692 -20.562 1.00 0.00 H new ATOM 0 HA3 GLY A 52 10.555 16.358 -20.586 1.00 0.00 H new ATOM 809 N ASP A 53 11.436 14.039 -20.676 1.00 0.00 N ATOM 810 CA ASP A 53 12.082 12.737 -20.637 1.00 0.00 C ATOM 811 C ASP A 53 13.597 12.921 -20.731 1.00 0.00 C ATOM 812 O ASP A 53 14.111 13.358 -21.761 1.00 0.00 O ATOM 813 CB ASP A 53 11.637 11.867 -21.814 1.00 0.00 C ATOM 814 CG ASP A 53 12.051 12.384 -23.193 1.00 0.00 C ATOM 815 OD1 ASP A 53 12.054 13.623 -23.357 1.00 0.00 O ATOM 816 OD2 ASP A 53 12.355 11.528 -24.052 1.00 0.00 O ATOM 0 H ASP A 53 11.805 14.677 -21.381 1.00 0.00 H new ATOM 0 HA ASP A 53 11.803 12.250 -19.703 1.00 0.00 H new ATOM 0 HB2 ASP A 53 12.045 10.865 -21.681 1.00 0.00 H new ATOM 0 HB3 ASP A 53 10.551 11.775 -21.788 1.00 0.00 H new ATOM 821 N ALA A 54 14.272 12.582 -19.643 1.00 0.00 N ATOM 822 CA ALA A 54 15.718 12.704 -19.590 1.00 0.00 C ATOM 823 C ALA A 54 16.342 11.309 -19.511 1.00 0.00 C ATOM 824 O ALA A 54 17.445 11.147 -18.992 1.00 0.00 O ATOM 825 CB ALA A 54 16.114 13.587 -18.404 1.00 0.00 C ATOM 0 H ALA A 54 13.843 12.222 -18.790 1.00 0.00 H new ATOM 0 HA ALA A 54 16.095 13.183 -20.494 1.00 0.00 H new ATOM 0 HB1 ALA A 54 17.199 13.678 -18.365 1.00 0.00 H new ATOM 0 HB2 ALA A 54 15.671 14.576 -18.523 1.00 0.00 H new ATOM 0 HB3 ALA A 54 15.754 13.137 -17.479 1.00 0.00 H new ATOM 831 N THR A 55 15.609 10.338 -20.034 1.00 0.00 N ATOM 832 CA THR A 55 16.076 8.962 -20.029 1.00 0.00 C ATOM 833 C THR A 55 17.502 8.881 -20.578 1.00 0.00 C ATOM 834 O THR A 55 18.447 8.644 -19.827 1.00 0.00 O ATOM 835 CB THR A 55 15.072 8.119 -20.821 1.00 0.00 C ATOM 836 OG1 THR A 55 13.928 8.058 -19.973 1.00 0.00 O ATOM 837 CG2 THR A 55 15.512 6.660 -20.957 1.00 0.00 C ATOM 0 H THR A 55 14.695 10.476 -20.464 1.00 0.00 H new ATOM 0 HA THR A 55 16.128 8.566 -19.015 1.00 0.00 H new ATOM 0 HB THR A 55 14.936 8.551 -21.812 1.00 0.00 H new ATOM 0 HG1 THR A 55 13.952 8.804 -19.338 1.00 0.00 H new ATOM 0 HG21 THR A 55 14.765 6.106 -21.527 1.00 0.00 H new ATOM 0 HG22 THR A 55 16.470 6.616 -21.475 1.00 0.00 H new ATOM 0 HG23 THR A 55 15.614 6.217 -19.966 1.00 0.00 H new ATOM 845 N GLU A 56 17.613 9.084 -21.883 1.00 0.00 N ATOM 846 CA GLU A 56 18.908 9.036 -22.540 1.00 0.00 C ATOM 847 C GLU A 56 19.852 10.072 -21.927 1.00 0.00 C ATOM 848 O GLU A 56 21.020 9.779 -21.675 1.00 0.00 O ATOM 849 CB GLU A 56 18.765 9.250 -24.049 1.00 0.00 C ATOM 850 CG GLU A 56 17.846 8.194 -24.667 1.00 0.00 C ATOM 851 CD GLU A 56 18.650 7.172 -25.473 1.00 0.00 C ATOM 852 OE1 GLU A 56 19.051 7.527 -26.602 1.00 0.00 O ATOM 853 OE2 GLU A 56 18.846 6.057 -24.940 1.00 0.00 O ATOM 0 H GLU A 56 16.827 9.282 -22.503 1.00 0.00 H new ATOM 0 HA GLU A 56 19.336 8.046 -22.385 1.00 0.00 H new ATOM 0 HB2 GLU A 56 18.364 10.245 -24.243 1.00 0.00 H new ATOM 0 HB3 GLU A 56 19.746 9.205 -24.521 1.00 0.00 H new ATOM 0 HG2 GLU A 56 17.290 7.685 -23.880 1.00 0.00 H new ATOM 0 HG3 GLU A 56 17.114 8.677 -25.313 1.00 0.00 H new ATOM 860 N ASN A 57 19.311 11.261 -21.705 1.00 0.00 N ATOM 861 CA ASN A 57 20.092 12.342 -21.126 1.00 0.00 C ATOM 862 C ASN A 57 20.685 11.879 -19.793 1.00 0.00 C ATOM 863 O ASN A 57 21.683 12.429 -19.330 1.00 0.00 O ATOM 864 CB ASN A 57 19.217 13.567 -20.853 1.00 0.00 C ATOM 865 CG ASN A 57 19.310 14.574 -22.001 1.00 0.00 C ATOM 866 OD1 ASN A 57 19.731 15.780 -21.632 1.00 0.00 O flip ATOM 867 ND2 ASN A 57 19.020 14.274 -23.148 1.00 0.00 N flip ATOM 0 H ASN A 57 18.342 11.500 -21.915 1.00 0.00 H new ATOM 0 HA ASN A 57 20.877 12.609 -21.834 1.00 0.00 H new ATOM 0 HB2 ASN A 57 18.181 13.256 -20.720 1.00 0.00 H new ATOM 0 HB3 ASN A 57 19.529 14.041 -19.922 1.00 0.00 H new ATOM 0 HD21 ASN A 57 18.703 13.329 -23.363 1.00 0.00 H new ATOM 0 HD22 ASN A 57 19.095 14.969 -23.891 1.00 0.00 H new ATOM 874 N PHE A 58 20.048 10.872 -19.215 1.00 0.00 N ATOM 875 CA PHE A 58 20.501 10.329 -17.946 1.00 0.00 C ATOM 876 C PHE A 58 21.441 9.142 -18.162 1.00 0.00 C ATOM 877 O PHE A 58 22.434 8.996 -17.451 1.00 0.00 O ATOM 878 CB PHE A 58 19.256 9.849 -17.196 1.00 0.00 C ATOM 879 CG PHE A 58 19.508 8.655 -16.273 1.00 0.00 C ATOM 880 CD1 PHE A 58 19.618 7.403 -16.795 1.00 0.00 C ATOM 881 CD2 PHE A 58 19.623 8.844 -14.931 1.00 0.00 C ATOM 882 CE1 PHE A 58 19.852 6.295 -15.939 1.00 0.00 C ATOM 883 CE2 PHE A 58 19.857 7.735 -14.075 1.00 0.00 C ATOM 884 CZ PHE A 58 19.966 6.484 -14.597 1.00 0.00 C ATOM 0 H PHE A 58 19.221 10.417 -19.602 1.00 0.00 H new ATOM 0 HA PHE A 58 21.045 11.091 -17.387 1.00 0.00 H new ATOM 0 HB2 PHE A 58 18.859 10.675 -16.605 1.00 0.00 H new ATOM 0 HB3 PHE A 58 18.489 9.579 -17.922 1.00 0.00 H new ATOM 0 HD1 PHE A 58 19.527 7.252 -17.861 1.00 0.00 H new ATOM 0 HD2 PHE A 58 19.536 9.837 -14.516 1.00 0.00 H new ATOM 0 HE1 PHE A 58 19.940 5.302 -16.354 1.00 0.00 H new ATOM 0 HE2 PHE A 58 19.948 7.885 -13.009 1.00 0.00 H new ATOM 0 HZ PHE A 58 20.143 5.641 -13.946 1.00 0.00 H new ATOM 894 N GLU A 59 21.094 8.324 -19.145 1.00 0.00 N ATOM 895 CA GLU A 59 21.897 7.155 -19.463 1.00 0.00 C ATOM 896 C GLU A 59 23.160 7.567 -20.221 1.00 0.00 C ATOM 897 O GLU A 59 24.218 6.967 -20.044 1.00 0.00 O ATOM 898 CB GLU A 59 21.084 6.135 -20.265 1.00 0.00 C ATOM 899 CG GLU A 59 20.068 5.421 -19.372 1.00 0.00 C ATOM 900 CD GLU A 59 19.895 3.961 -19.797 1.00 0.00 C ATOM 901 OE1 GLU A 59 19.290 3.751 -20.870 1.00 0.00 O ATOM 902 OE2 GLU A 59 20.373 3.089 -19.040 1.00 0.00 O ATOM 0 H GLU A 59 20.268 8.447 -19.731 1.00 0.00 H new ATOM 0 HA GLU A 59 22.198 6.680 -18.529 1.00 0.00 H new ATOM 0 HB2 GLU A 59 20.566 6.638 -21.081 1.00 0.00 H new ATOM 0 HB3 GLU A 59 21.755 5.404 -20.716 1.00 0.00 H new ATOM 0 HG2 GLU A 59 20.397 5.465 -18.334 1.00 0.00 H new ATOM 0 HG3 GLU A 59 19.108 5.935 -19.424 1.00 0.00 H new ATOM 909 N ASP A 60 23.007 8.590 -21.051 1.00 0.00 N ATOM 910 CA ASP A 60 24.122 9.089 -21.836 1.00 0.00 C ATOM 911 C ASP A 60 25.240 9.544 -20.896 1.00 0.00 C ATOM 912 O ASP A 60 26.411 9.249 -21.128 1.00 0.00 O ATOM 913 CB ASP A 60 23.702 10.289 -22.687 1.00 0.00 C ATOM 914 CG ASP A 60 24.514 10.489 -23.969 1.00 0.00 C ATOM 915 OD1 ASP A 60 24.759 9.469 -24.650 1.00 0.00 O ATOM 916 OD2 ASP A 60 24.871 11.656 -24.239 1.00 0.00 O ATOM 0 H ASP A 60 22.127 9.086 -21.196 1.00 0.00 H new ATOM 0 HA ASP A 60 24.462 8.285 -22.489 1.00 0.00 H new ATOM 0 HB2 ASP A 60 22.651 10.176 -22.954 1.00 0.00 H new ATOM 0 HB3 ASP A 60 23.781 11.191 -22.080 1.00 0.00 H new ATOM 921 N VAL A 61 24.838 10.256 -19.852 1.00 0.00 N ATOM 922 CA VAL A 61 25.791 10.756 -18.875 1.00 0.00 C ATOM 923 C VAL A 61 26.357 9.580 -18.076 1.00 0.00 C ATOM 924 O VAL A 61 27.379 9.716 -17.405 1.00 0.00 O ATOM 925 CB VAL A 61 25.129 11.815 -17.993 1.00 0.00 C ATOM 926 CG1 VAL A 61 24.401 12.859 -18.842 1.00 0.00 C ATOM 927 CG2 VAL A 61 24.179 11.171 -16.982 1.00 0.00 C ATOM 0 H VAL A 61 23.866 10.498 -19.662 1.00 0.00 H new ATOM 0 HA VAL A 61 26.629 11.245 -19.372 1.00 0.00 H new ATOM 0 HB VAL A 61 25.915 12.325 -17.436 1.00 0.00 H new ATOM 0 HG11 VAL A 61 23.939 13.600 -18.190 1.00 0.00 H new ATOM 0 HG12 VAL A 61 25.114 13.351 -19.503 1.00 0.00 H new ATOM 0 HG13 VAL A 61 23.631 12.370 -19.438 1.00 0.00 H new ATOM 0 HG21 VAL A 61 23.722 11.946 -16.367 1.00 0.00 H new ATOM 0 HG22 VAL A 61 23.401 10.622 -17.512 1.00 0.00 H new ATOM 0 HG23 VAL A 61 24.737 10.485 -16.345 1.00 0.00 H new ATOM 937 N GLY A 62 25.669 8.453 -18.173 1.00 0.00 N ATOM 938 CA GLY A 62 26.090 7.255 -17.467 1.00 0.00 C ATOM 939 C GLY A 62 26.206 7.516 -15.964 1.00 0.00 C ATOM 940 O GLY A 62 27.287 7.828 -15.467 1.00 0.00 O ATOM 0 H GLY A 62 24.822 8.344 -18.730 1.00 0.00 H new ATOM 0 HA2 GLY A 62 25.374 6.453 -17.646 1.00 0.00 H new ATOM 0 HA3 GLY A 62 27.051 6.918 -17.856 1.00 0.00 H new ATOM 944 N HIS A 63 25.078 7.379 -15.283 1.00 0.00 N ATOM 945 CA HIS A 63 25.039 7.597 -13.848 1.00 0.00 C ATOM 946 C HIS A 63 25.793 6.470 -13.137 1.00 0.00 C ATOM 947 O HIS A 63 25.685 5.307 -13.522 1.00 0.00 O ATOM 948 CB HIS A 63 23.597 7.744 -13.359 1.00 0.00 C ATOM 949 CG HIS A 63 22.994 9.103 -13.625 1.00 0.00 C ATOM 950 ND1 HIS A 63 22.747 9.576 -14.902 1.00 0.00 N ATOM 951 CD2 HIS A 63 22.592 10.083 -12.767 1.00 0.00 C ATOM 952 CE1 HIS A 63 22.221 10.788 -14.804 1.00 0.00 C ATOM 953 NE2 HIS A 63 22.126 11.101 -13.480 1.00 0.00 N ATOM 0 H HIS A 63 24.184 7.119 -15.699 1.00 0.00 H new ATOM 0 HA HIS A 63 25.541 8.534 -13.606 1.00 0.00 H new ATOM 0 HB2 HIS A 63 22.982 6.984 -13.841 1.00 0.00 H new ATOM 0 HB3 HIS A 63 23.566 7.547 -12.287 1.00 0.00 H new ATOM 0 HD1 HIS A 63 22.937 9.077 -15.771 1.00 0.00 H new ATOM 0 HD2 HIS A 63 22.644 10.039 -11.689 1.00 0.00 H new ATOM 0 HE1 HIS A 63 21.920 11.418 -15.628 1.00 0.00 H new ATOM 961 N SER A 64 26.540 6.856 -12.112 1.00 0.00 N ATOM 962 CA SER A 64 27.312 5.893 -11.345 1.00 0.00 C ATOM 963 C SER A 64 26.406 5.179 -10.340 1.00 0.00 C ATOM 964 O SER A 64 25.259 5.576 -10.141 1.00 0.00 O ATOM 965 CB SER A 64 28.476 6.572 -10.622 1.00 0.00 C ATOM 966 OG SER A 64 28.165 7.911 -10.248 1.00 0.00 O ATOM 0 H SER A 64 26.627 7.822 -11.795 1.00 0.00 H new ATOM 0 HA SER A 64 27.728 5.159 -12.035 1.00 0.00 H new ATOM 0 HB2 SER A 64 28.734 5.998 -9.732 1.00 0.00 H new ATOM 0 HB3 SER A 64 29.354 6.571 -11.268 1.00 0.00 H new ATOM 0 HG SER A 64 28.933 8.309 -9.788 1.00 0.00 H new ATOM 972 N THR A 65 26.955 4.138 -9.732 1.00 0.00 N ATOM 973 CA THR A 65 26.211 3.365 -8.752 1.00 0.00 C ATOM 974 C THR A 65 25.619 4.287 -7.683 1.00 0.00 C ATOM 975 O THR A 65 24.456 4.144 -7.313 1.00 0.00 O ATOM 976 CB THR A 65 27.148 2.297 -8.182 1.00 0.00 C ATOM 977 OG1 THR A 65 26.911 1.155 -8.999 1.00 0.00 O ATOM 978 CG2 THR A 65 26.735 1.845 -6.780 1.00 0.00 C ATOM 0 H THR A 65 27.907 3.812 -9.899 1.00 0.00 H new ATOM 0 HA THR A 65 25.360 2.861 -9.209 1.00 0.00 H new ATOM 0 HB THR A 65 28.166 2.685 -8.153 1.00 0.00 H new ATOM 0 HG1 THR A 65 27.480 0.415 -8.700 1.00 0.00 H new ATOM 0 HG21 THR A 65 27.432 1.087 -6.422 1.00 0.00 H new ATOM 0 HG22 THR A 65 26.749 2.699 -6.103 1.00 0.00 H new ATOM 0 HG23 THR A 65 25.729 1.426 -6.814 1.00 0.00 H new ATOM 986 N ASP A 66 26.448 5.211 -7.220 1.00 0.00 N ATOM 987 CA ASP A 66 26.020 6.156 -6.202 1.00 0.00 C ATOM 988 C ASP A 66 24.614 6.658 -6.536 1.00 0.00 C ATOM 989 O ASP A 66 23.773 6.795 -5.649 1.00 0.00 O ATOM 990 CB ASP A 66 26.954 7.367 -6.148 1.00 0.00 C ATOM 991 CG ASP A 66 27.638 7.597 -4.800 1.00 0.00 C ATOM 992 OD1 ASP A 66 26.978 8.195 -3.923 1.00 0.00 O ATOM 993 OD2 ASP A 66 28.806 7.169 -4.676 1.00 0.00 O ATOM 0 H ASP A 66 27.413 5.326 -7.530 1.00 0.00 H new ATOM 0 HA ASP A 66 26.036 5.645 -5.239 1.00 0.00 H new ATOM 0 HB2 ASP A 66 27.722 7.249 -6.912 1.00 0.00 H new ATOM 0 HB3 ASP A 66 26.383 8.259 -6.405 1.00 0.00 H new ATOM 998 N ALA A 67 24.401 6.917 -7.818 1.00 0.00 N ATOM 999 CA ALA A 67 23.111 7.400 -8.280 1.00 0.00 C ATOM 1000 C ALA A 67 22.066 6.296 -8.108 1.00 0.00 C ATOM 1001 O ALA A 67 20.958 6.553 -7.641 1.00 0.00 O ATOM 1002 CB ALA A 67 23.231 7.868 -9.732 1.00 0.00 C ATOM 0 H ALA A 67 25.101 6.801 -8.551 1.00 0.00 H new ATOM 0 HA ALA A 67 22.787 8.256 -7.687 1.00 0.00 H new ATOM 0 HB1 ALA A 67 22.263 8.230 -10.079 1.00 0.00 H new ATOM 0 HB2 ALA A 67 23.964 8.673 -9.796 1.00 0.00 H new ATOM 0 HB3 ALA A 67 23.552 7.035 -10.357 1.00 0.00 H new ATOM 1008 N ARG A 68 22.457 5.091 -8.494 1.00 0.00 N ATOM 1009 CA ARG A 68 21.568 3.946 -8.389 1.00 0.00 C ATOM 1010 C ARG A 68 20.830 3.969 -7.049 1.00 0.00 C ATOM 1011 O ARG A 68 19.629 3.708 -6.992 1.00 0.00 O ATOM 1012 CB ARG A 68 22.343 2.633 -8.514 1.00 0.00 C ATOM 1013 CG ARG A 68 21.726 1.732 -9.585 1.00 0.00 C ATOM 1014 CD ARG A 68 21.453 0.331 -9.034 1.00 0.00 C ATOM 1015 NE ARG A 68 21.897 -0.692 -10.007 1.00 0.00 N ATOM 1016 CZ ARG A 68 23.156 -1.140 -10.103 1.00 0.00 C ATOM 1017 NH1 ARG A 68 24.103 -0.659 -9.287 1.00 0.00 N ATOM 1018 NH2 ARG A 68 23.468 -2.070 -11.017 1.00 0.00 N ATOM 0 H ARG A 68 23.378 4.882 -8.880 1.00 0.00 H new ATOM 0 HA ARG A 68 20.849 4.009 -9.206 1.00 0.00 H new ATOM 0 HB2 ARG A 68 23.383 2.843 -8.765 1.00 0.00 H new ATOM 0 HB3 ARG A 68 22.345 2.115 -7.555 1.00 0.00 H new ATOM 0 HG2 ARG A 68 20.796 2.173 -9.944 1.00 0.00 H new ATOM 0 HG3 ARG A 68 22.398 1.665 -10.440 1.00 0.00 H new ATOM 0 HD2 ARG A 68 21.976 0.195 -8.087 1.00 0.00 H new ATOM 0 HD3 ARG A 68 20.389 0.213 -8.830 1.00 0.00 H new ATOM 0 HE ARG A 68 21.201 -1.080 -10.644 1.00 0.00 H new ATOM 0 HH11 ARG A 68 23.866 0.049 -8.592 1.00 0.00 H new ATOM 0 HH12 ARG A 68 25.061 -1.001 -9.361 1.00 0.00 H new ATOM 0 HH21 ARG A 68 22.747 -2.436 -11.639 1.00 0.00 H new ATOM 0 HH22 ARG A 68 24.426 -2.411 -11.091 1.00 0.00 H new ATOM 1032 N GLU A 69 21.580 4.284 -6.001 1.00 0.00 N ATOM 1033 CA GLU A 69 21.011 4.345 -4.666 1.00 0.00 C ATOM 1034 C GLU A 69 20.039 5.522 -4.556 1.00 0.00 C ATOM 1035 O GLU A 69 18.880 5.341 -4.185 1.00 0.00 O ATOM 1036 CB GLU A 69 22.111 4.442 -3.607 1.00 0.00 C ATOM 1037 CG GLU A 69 22.852 3.110 -3.462 1.00 0.00 C ATOM 1038 CD GLU A 69 22.232 2.256 -2.355 1.00 0.00 C ATOM 1039 OE1 GLU A 69 21.038 1.915 -2.502 1.00 0.00 O ATOM 1040 OE2 GLU A 69 22.966 1.960 -1.388 1.00 0.00 O ATOM 0 H GLU A 69 22.576 4.499 -6.051 1.00 0.00 H new ATOM 0 HA GLU A 69 20.457 3.424 -4.485 1.00 0.00 H new ATOM 0 HB2 GLU A 69 22.816 5.227 -3.881 1.00 0.00 H new ATOM 0 HB3 GLU A 69 21.675 4.726 -2.649 1.00 0.00 H new ATOM 0 HG2 GLU A 69 22.820 2.567 -4.407 1.00 0.00 H new ATOM 0 HG3 GLU A 69 23.902 3.296 -3.237 1.00 0.00 H new ATOM 1047 N LEU A 70 20.547 6.701 -4.884 1.00 0.00 N ATOM 1048 CA LEU A 70 19.738 7.906 -4.826 1.00 0.00 C ATOM 1049 C LEU A 70 18.468 7.702 -5.654 1.00 0.00 C ATOM 1050 O LEU A 70 17.365 7.674 -5.110 1.00 0.00 O ATOM 1051 CB LEU A 70 20.560 9.124 -5.250 1.00 0.00 C ATOM 1052 CG LEU A 70 21.313 9.848 -4.132 1.00 0.00 C ATOM 1053 CD1 LEU A 70 21.763 8.865 -3.049 1.00 0.00 C ATOM 1054 CD2 LEU A 70 22.483 10.658 -4.692 1.00 0.00 C ATOM 0 H LEU A 70 21.509 6.847 -5.191 1.00 0.00 H new ATOM 0 HA LEU A 70 19.423 8.105 -3.802 1.00 0.00 H new ATOM 0 HB2 LEU A 70 21.283 8.806 -6.001 1.00 0.00 H new ATOM 0 HB3 LEU A 70 19.892 9.838 -5.733 1.00 0.00 H new ATOM 0 HG LEU A 70 20.629 10.555 -3.662 1.00 0.00 H new ATOM 0 HD11 LEU A 70 22.296 9.405 -2.266 1.00 0.00 H new ATOM 0 HD12 LEU A 70 20.891 8.372 -2.620 1.00 0.00 H new ATOM 0 HD13 LEU A 70 22.424 8.117 -3.488 1.00 0.00 H new ATOM 0 HD21 LEU A 70 23.000 11.162 -3.876 1.00 0.00 H new ATOM 0 HD22 LEU A 70 23.176 9.990 -5.203 1.00 0.00 H new ATOM 0 HD23 LEU A 70 22.108 11.400 -5.397 1.00 0.00 H new ATOM 1066 N SER A 71 18.665 7.566 -6.958 1.00 0.00 N ATOM 1067 CA SER A 71 17.549 7.367 -7.867 1.00 0.00 C ATOM 1068 C SER A 71 16.456 6.546 -7.180 1.00 0.00 C ATOM 1069 O SER A 71 15.309 6.983 -7.093 1.00 0.00 O ATOM 1070 CB SER A 71 18.004 6.673 -9.153 1.00 0.00 C ATOM 1071 OG SER A 71 18.877 5.578 -8.890 1.00 0.00 O ATOM 0 H SER A 71 19.581 7.590 -7.406 1.00 0.00 H new ATOM 0 HA SER A 71 17.147 8.344 -8.135 1.00 0.00 H new ATOM 0 HB2 SER A 71 17.131 6.317 -9.701 1.00 0.00 H new ATOM 0 HB3 SER A 71 18.511 7.394 -9.794 1.00 0.00 H new ATOM 0 HG SER A 71 19.727 5.915 -8.538 1.00 0.00 H new ATOM 1077 N LYS A 72 16.848 5.371 -6.711 1.00 0.00 N ATOM 1078 CA LYS A 72 15.915 4.485 -6.035 1.00 0.00 C ATOM 1079 C LYS A 72 15.300 5.217 -4.841 1.00 0.00 C ATOM 1080 O LYS A 72 14.078 5.254 -4.693 1.00 0.00 O ATOM 1081 CB LYS A 72 16.600 3.169 -5.663 1.00 0.00 C ATOM 1082 CG LYS A 72 16.267 2.072 -6.677 1.00 0.00 C ATOM 1083 CD LYS A 72 16.219 0.700 -6.005 1.00 0.00 C ATOM 1084 CE LYS A 72 17.436 -0.144 -6.391 1.00 0.00 C ATOM 1085 NZ LYS A 72 17.276 -0.690 -7.757 1.00 0.00 N ATOM 0 H LYS A 72 17.800 5.011 -6.786 1.00 0.00 H new ATOM 0 HA LYS A 72 15.096 4.214 -6.701 1.00 0.00 H new ATOM 0 HB2 LYS A 72 17.679 3.316 -5.622 1.00 0.00 H new ATOM 0 HB3 LYS A 72 16.282 2.858 -4.668 1.00 0.00 H new ATOM 0 HG2 LYS A 72 15.306 2.285 -7.146 1.00 0.00 H new ATOM 0 HG3 LYS A 72 17.014 2.066 -7.470 1.00 0.00 H new ATOM 0 HD2 LYS A 72 16.186 0.823 -4.922 1.00 0.00 H new ATOM 0 HD3 LYS A 72 15.305 0.181 -6.295 1.00 0.00 H new ATOM 0 HE2 LYS A 72 18.339 0.464 -6.340 1.00 0.00 H new ATOM 0 HE3 LYS A 72 17.561 -0.960 -5.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 18.110 -1.260 -8.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 16.425 -1.287 -7.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 17.180 0.093 -8.435 1.00 0.00 H new ATOM 1099 N THR A 73 16.171 5.780 -4.018 1.00 0.00 N ATOM 1100 CA THR A 73 15.728 6.508 -2.841 1.00 0.00 C ATOM 1101 C THR A 73 14.796 7.653 -3.242 1.00 0.00 C ATOM 1102 O THR A 73 13.884 8.005 -2.495 1.00 0.00 O ATOM 1103 CB THR A 73 16.971 6.975 -2.079 1.00 0.00 C ATOM 1104 OG1 THR A 73 17.028 6.112 -0.947 1.00 0.00 O ATOM 1105 CG2 THR A 73 16.797 8.370 -1.474 1.00 0.00 C ATOM 0 H THR A 73 17.183 5.747 -4.143 1.00 0.00 H new ATOM 0 HA THR A 73 15.142 5.871 -2.178 1.00 0.00 H new ATOM 0 HB THR A 73 17.830 6.974 -2.750 1.00 0.00 H new ATOM 0 HG1 THR A 73 17.806 6.344 -0.398 1.00 0.00 H new ATOM 0 HG21 THR A 73 17.707 8.653 -0.945 1.00 0.00 H new ATOM 0 HG22 THR A 73 16.601 9.089 -2.269 1.00 0.00 H new ATOM 0 HG23 THR A 73 15.959 8.362 -0.777 1.00 0.00 H new ATOM 1113 N TYR A 74 15.056 8.201 -4.420 1.00 0.00 N ATOM 1114 CA TYR A 74 14.252 9.299 -4.928 1.00 0.00 C ATOM 1115 C TYR A 74 13.224 8.798 -5.947 1.00 0.00 C ATOM 1116 O TYR A 74 12.996 9.441 -6.970 1.00 0.00 O ATOM 1117 CB TYR A 74 15.226 10.247 -5.629 1.00 0.00 C ATOM 1118 CG TYR A 74 16.009 11.150 -4.674 1.00 0.00 C ATOM 1119 CD1 TYR A 74 17.181 10.698 -4.102 1.00 0.00 C ATOM 1120 CD2 TYR A 74 15.545 12.417 -4.386 1.00 0.00 C ATOM 1121 CE1 TYR A 74 17.918 11.548 -3.204 1.00 0.00 C ATOM 1122 CE2 TYR A 74 16.282 13.267 -3.488 1.00 0.00 C ATOM 1123 CZ TYR A 74 17.433 12.791 -2.940 1.00 0.00 C ATOM 1124 OH TYR A 74 18.129 13.593 -2.092 1.00 0.00 O ATOM 0 H TYR A 74 15.812 7.905 -5.037 1.00 0.00 H new ATOM 0 HA TYR A 74 13.708 9.784 -4.117 1.00 0.00 H new ATOM 0 HB2 TYR A 74 15.931 9.659 -6.217 1.00 0.00 H new ATOM 0 HB3 TYR A 74 14.670 10.871 -6.329 1.00 0.00 H new ATOM 0 HD1 TYR A 74 17.545 9.707 -4.328 1.00 0.00 H new ATOM 0 HD2 TYR A 74 14.629 12.771 -4.834 1.00 0.00 H new ATOM 0 HE1 TYR A 74 18.836 11.206 -2.750 1.00 0.00 H new ATOM 0 HE2 TYR A 74 15.929 14.261 -3.254 1.00 0.00 H new ATOM 0 HH TYR A 74 17.665 14.451 -1.998 1.00 0.00 H new ATOM 1134 N ILE A 75 12.632 7.656 -5.630 1.00 0.00 N ATOM 1135 CA ILE A 75 11.634 7.063 -6.505 1.00 0.00 C ATOM 1136 C ILE A 75 10.285 7.028 -5.783 1.00 0.00 C ATOM 1137 O ILE A 75 10.225 6.743 -4.588 1.00 0.00 O ATOM 1138 CB ILE A 75 12.103 5.694 -7.000 1.00 0.00 C ATOM 1139 CG1 ILE A 75 11.615 5.431 -8.426 1.00 0.00 C ATOM 1140 CG2 ILE A 75 11.675 4.586 -6.035 1.00 0.00 C ATOM 1141 CD1 ILE A 75 12.356 4.245 -9.048 1.00 0.00 C ATOM 0 H ILE A 75 12.824 7.126 -4.780 1.00 0.00 H new ATOM 0 HA ILE A 75 11.501 7.671 -7.400 1.00 0.00 H new ATOM 0 HB ILE A 75 13.193 5.695 -7.027 1.00 0.00 H new ATOM 0 HG12 ILE A 75 10.544 5.231 -8.417 1.00 0.00 H new ATOM 0 HG13 ILE A 75 11.768 6.321 -9.037 1.00 0.00 H new ATOM 0 HG21 ILE A 75 12.021 3.623 -6.410 1.00 0.00 H new ATOM 0 HG22 ILE A 75 12.111 4.770 -5.053 1.00 0.00 H new ATOM 0 HG23 ILE A 75 10.588 4.574 -5.953 1.00 0.00 H new ATOM 0 HD11 ILE A 75 11.991 4.079 -10.061 1.00 0.00 H new ATOM 0 HD12 ILE A 75 13.424 4.459 -9.078 1.00 0.00 H new ATOM 0 HD13 ILE A 75 12.181 3.352 -8.448 1.00 0.00 H new ATOM 1153 N ILE A 76 9.238 7.322 -6.539 1.00 0.00 N ATOM 1154 CA ILE A 76 7.894 7.327 -5.985 1.00 0.00 C ATOM 1155 C ILE A 76 7.010 6.378 -6.796 1.00 0.00 C ATOM 1156 O ILE A 76 6.166 5.680 -6.236 1.00 0.00 O ATOM 1157 CB ILE A 76 7.352 8.756 -5.908 1.00 0.00 C ATOM 1158 CG1 ILE A 76 6.789 9.203 -7.258 1.00 0.00 C ATOM 1159 CG2 ILE A 76 8.419 9.720 -5.385 1.00 0.00 C ATOM 1160 CD1 ILE A 76 7.906 9.682 -8.188 1.00 0.00 C ATOM 0 H ILE A 76 9.292 7.558 -7.530 1.00 0.00 H new ATOM 0 HA ILE A 76 7.903 6.958 -4.959 1.00 0.00 H new ATOM 0 HB ILE A 76 6.528 8.770 -5.195 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.253 8.376 -7.724 1.00 0.00 H new ATOM 0 HG13 ILE A 76 6.068 10.006 -7.107 1.00 0.00 H new ATOM 0 HG21 ILE A 76 8.008 10.728 -5.340 1.00 0.00 H new ATOM 0 HG22 ILE A 76 8.731 9.411 -4.388 1.00 0.00 H new ATOM 0 HG23 ILE A 76 9.279 9.708 -6.054 1.00 0.00 H new ATOM 0 HD11 ILE A 76 7.478 9.994 -9.141 1.00 0.00 H new ATOM 0 HD12 ILE A 76 8.424 10.524 -7.730 1.00 0.00 H new ATOM 0 HD13 ILE A 76 8.613 8.869 -8.357 1.00 0.00 H new ATOM 1172 N GLY A 77 7.235 6.382 -8.102 1.00 0.00 N ATOM 1173 CA GLY A 77 6.469 5.529 -8.995 1.00 0.00 C ATOM 1174 C GLY A 77 6.760 5.865 -10.459 1.00 0.00 C ATOM 1175 O GLY A 77 7.689 6.616 -10.754 1.00 0.00 O ATOM 0 H GLY A 77 7.936 6.962 -8.563 1.00 0.00 H new ATOM 0 HA2 GLY A 77 6.712 4.484 -8.803 1.00 0.00 H new ATOM 0 HA3 GLY A 77 5.404 5.650 -8.795 1.00 0.00 H new ATOM 1179 N GLU A 78 5.950 5.294 -11.337 1.00 0.00 N ATOM 1180 CA GLU A 78 6.109 5.524 -12.763 1.00 0.00 C ATOM 1181 C GLU A 78 4.895 6.269 -13.320 1.00 0.00 C ATOM 1182 O GLU A 78 3.888 6.426 -12.630 1.00 0.00 O ATOM 1183 CB GLU A 78 6.335 4.207 -13.509 1.00 0.00 C ATOM 1184 CG GLU A 78 5.058 3.364 -13.530 1.00 0.00 C ATOM 1185 CD GLU A 78 5.386 1.876 -13.674 1.00 0.00 C ATOM 1186 OE1 GLU A 78 5.819 1.289 -12.658 1.00 0.00 O ATOM 1187 OE2 GLU A 78 5.196 1.359 -14.796 1.00 0.00 O ATOM 0 H GLU A 78 5.181 4.672 -11.089 1.00 0.00 H new ATOM 0 HA GLU A 78 6.992 6.145 -12.914 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.656 4.413 -14.530 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.138 3.646 -13.030 1.00 0.00 H new ATOM 0 HG2 GLU A 78 4.494 3.529 -12.612 1.00 0.00 H new ATOM 0 HG3 GLU A 78 4.422 3.682 -14.356 1.00 0.00 H new ATOM 1194 N LEU A 79 5.028 6.708 -14.563 1.00 0.00 N ATOM 1195 CA LEU A 79 3.954 7.432 -15.219 1.00 0.00 C ATOM 1196 C LEU A 79 3.236 6.498 -16.196 1.00 0.00 C ATOM 1197 O LEU A 79 3.849 5.590 -16.754 1.00 0.00 O ATOM 1198 CB LEU A 79 4.489 8.709 -15.871 1.00 0.00 C ATOM 1199 CG LEU A 79 5.104 8.545 -17.263 1.00 0.00 C ATOM 1200 CD1 LEU A 79 6.216 7.494 -17.250 1.00 0.00 C ATOM 1201 CD2 LEU A 79 4.029 8.230 -18.304 1.00 0.00 C ATOM 0 H LEU A 79 5.864 6.576 -15.133 1.00 0.00 H new ATOM 0 HA LEU A 79 3.214 7.759 -14.488 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.673 9.428 -15.939 1.00 0.00 H new ATOM 0 HB3 LEU A 79 5.241 9.142 -15.212 1.00 0.00 H new ATOM 0 HG LEU A 79 5.560 9.493 -17.549 1.00 0.00 H new ATOM 0 HD11 LEU A 79 6.636 7.397 -18.251 1.00 0.00 H new ATOM 0 HD12 LEU A 79 6.999 7.801 -16.556 1.00 0.00 H new ATOM 0 HD13 LEU A 79 5.806 6.535 -16.934 1.00 0.00 H new ATOM 0 HD21 LEU A 79 4.493 8.118 -19.284 1.00 0.00 H new ATOM 0 HD22 LEU A 79 3.522 7.303 -18.035 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.304 9.044 -18.336 1.00 0.00 H new ATOM 1213 N HIS A 80 1.949 6.754 -16.372 1.00 0.00 N ATOM 1214 CA HIS A 80 1.141 5.947 -17.271 1.00 0.00 C ATOM 1215 C HIS A 80 1.960 5.587 -18.512 1.00 0.00 C ATOM 1216 O HIS A 80 2.308 6.461 -19.305 1.00 0.00 O ATOM 1217 CB HIS A 80 -0.169 6.658 -17.610 1.00 0.00 C ATOM 1218 CG HIS A 80 -1.388 5.769 -17.537 1.00 0.00 C ATOM 1219 ND1 HIS A 80 -2.569 6.060 -18.197 1.00 0.00 N ATOM 1220 CD2 HIS A 80 -1.595 4.593 -16.878 1.00 0.00 C ATOM 1221 CE1 HIS A 80 -3.441 5.096 -17.938 1.00 0.00 C ATOM 1222 NE2 HIS A 80 -2.836 4.189 -17.120 1.00 0.00 N ATOM 0 H HIS A 80 1.445 7.509 -15.907 1.00 0.00 H new ATOM 0 HA HIS A 80 0.863 5.015 -16.779 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -0.302 7.497 -16.927 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -0.095 7.074 -18.615 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -0.872 4.078 -16.263 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -4.453 5.039 -18.310 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -3.266 3.340 -16.754 1.00 0.00 H new