USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 605 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 25 LYS NZ :NH3+ 154:sc= 1.22 (180deg=0) USER MOD Set 1.2: A 26 ASN : amide:sc= -0.402 K(o=0.81,f=-13!) USER MOD Single : A 7 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0237) USER MOD Single : A 8 ASN : amide:sc= -0.158 K(o=-0.16,f=-1.5!) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.116 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.651 X(o=-0.65,f=-0.39) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.225 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 GLN : amide:sc= -0.164 K(o=-0.16,f=-0.74) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot -91:sc= -2.52! USER MOD Single : A 71 ASN : amide:sc= -1.13! X(o=-1.1!,f=-0.88) USER MOD Single : A 72 LYS NZ :NH3+ 154:sc= -0.0145 (180deg=-0.471) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -0.0105 X(o=-0.011,f=0) USER MOD Single : A 81 GLN : amide:sc= -3.39 K(o=-3.4,f=-4.4!) USER MOD ----------------------------------------------------------------- ATOM 23 N GLU A 4 2.971 -14.673 6.093 1.00 0.00 N ATOM 24 CA GLU A 4 3.846 -13.635 6.610 1.00 0.00 C ATOM 25 C GLU A 4 4.643 -12.995 5.471 1.00 0.00 C ATOM 26 O GLU A 4 5.126 -11.872 5.601 1.00 0.00 O ATOM 27 CB GLU A 4 4.781 -14.191 7.687 1.00 0.00 C ATOM 28 CG GLU A 4 5.012 -13.163 8.796 1.00 0.00 C ATOM 29 CD GLU A 4 4.342 -13.603 10.100 1.00 0.00 C ATOM 30 OE1 GLU A 4 4.848 -14.580 10.695 1.00 0.00 O ATOM 31 OE2 GLU A 4 3.341 -12.954 10.471 1.00 0.00 O ATOM 0 HA GLU A 4 3.228 -12.865 7.073 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.353 -15.099 8.111 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.735 -14.468 7.238 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.082 -13.032 8.959 1.00 0.00 H new ATOM 0 HG3 GLU A 4 4.616 -12.195 8.488 1.00 0.00 H new ATOM 38 N ALA A 5 4.752 -13.737 4.379 1.00 0.00 N ATOM 39 CA ALA A 5 5.482 -13.257 3.218 1.00 0.00 C ATOM 40 C ALA A 5 4.652 -12.184 2.509 1.00 0.00 C ATOM 41 O ALA A 5 5.130 -11.541 1.576 1.00 0.00 O ATOM 42 CB ALA A 5 5.816 -14.435 2.301 1.00 0.00 C ATOM 0 H ALA A 5 4.347 -14.667 4.274 1.00 0.00 H new ATOM 0 HA ALA A 5 6.425 -12.801 3.519 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.364 -14.074 1.430 1.00 0.00 H new ATOM 0 HB2 ALA A 5 6.429 -15.155 2.843 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.893 -14.916 1.976 1.00 0.00 H new ATOM 48 N ILE A 6 3.424 -12.024 2.980 1.00 0.00 N ATOM 49 CA ILE A 6 2.524 -11.039 2.402 1.00 0.00 C ATOM 50 C ILE A 6 2.584 -9.753 3.229 1.00 0.00 C ATOM 51 O ILE A 6 2.780 -8.669 2.682 1.00 0.00 O ATOM 52 CB ILE A 6 1.114 -11.617 2.268 1.00 0.00 C ATOM 53 CG1 ILE A 6 0.938 -12.322 0.921 1.00 0.00 C ATOM 54 CG2 ILE A 6 0.055 -10.537 2.492 1.00 0.00 C ATOM 55 CD1 ILE A 6 -0.455 -12.945 0.806 1.00 0.00 C ATOM 0 H ILE A 6 3.031 -12.559 3.754 1.00 0.00 H new ATOM 0 HA ILE A 6 2.838 -10.783 1.390 1.00 0.00 H new ATOM 0 HB ILE A 6 0.977 -12.368 3.046 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.089 -11.609 0.111 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.697 -13.096 0.810 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.938 -10.975 2.391 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.167 -10.119 3.492 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.180 -9.746 1.752 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.554 -13.440 -0.160 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.594 -13.675 1.603 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.211 -12.165 0.893 1.00 0.00 H new ATOM 67 N LYS A 7 2.414 -9.916 4.532 1.00 0.00 N ATOM 68 CA LYS A 7 2.446 -8.782 5.439 1.00 0.00 C ATOM 69 C LYS A 7 3.812 -8.099 5.346 1.00 0.00 C ATOM 70 O LYS A 7 3.916 -6.884 5.510 1.00 0.00 O ATOM 71 CB LYS A 7 2.071 -9.218 6.858 1.00 0.00 C ATOM 72 CG LYS A 7 1.054 -8.257 7.476 1.00 0.00 C ATOM 73 CD LYS A 7 1.260 -8.139 8.988 1.00 0.00 C ATOM 74 CE LYS A 7 0.273 -9.028 9.746 1.00 0.00 C ATOM 75 NZ LYS A 7 -1.075 -8.417 9.753 1.00 0.00 N ATOM 0 H LYS A 7 2.253 -10.817 4.982 1.00 0.00 H new ATOM 0 HA LYS A 7 1.699 -8.043 5.151 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.657 -10.226 6.835 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.966 -9.255 7.479 1.00 0.00 H new ATOM 0 HG2 LYS A 7 1.150 -7.274 7.014 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.043 -8.609 7.269 1.00 0.00 H new ATOM 0 HD2 LYS A 7 2.281 -8.423 9.243 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.132 -7.101 9.296 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.230 -10.013 9.281 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.618 -9.174 10.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.690 -8.940 10.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -1.005 -7.426 10.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.478 -8.455 8.795 1.00 0.00 H new ATOM 89 N ASN A 8 4.826 -8.911 5.085 1.00 0.00 N ATOM 90 CA ASN A 8 6.182 -8.400 4.969 1.00 0.00 C ATOM 91 C ASN A 8 6.368 -7.769 3.587 1.00 0.00 C ATOM 92 O ASN A 8 6.718 -6.594 3.479 1.00 0.00 O ATOM 93 CB ASN A 8 7.209 -9.524 5.117 1.00 0.00 C ATOM 94 CG ASN A 8 8.359 -9.100 6.032 1.00 0.00 C ATOM 95 OD1 ASN A 8 8.564 -7.931 6.312 1.00 0.00 O ATOM 96 ND2 ASN A 8 9.092 -10.113 6.484 1.00 0.00 N ATOM 0 H ASN A 8 4.736 -9.918 4.951 1.00 0.00 H new ATOM 0 HA ASN A 8 6.334 -7.666 5.760 1.00 0.00 H new ATOM 0 HB2 ASN A 8 6.725 -10.412 5.523 1.00 0.00 H new ATOM 0 HB3 ASN A 8 7.601 -9.795 4.137 1.00 0.00 H new ATOM 0 HD21 ASN A 8 9.881 -9.934 7.105 1.00 0.00 H new ATOM 0 HD22 ASN A 8 8.865 -11.069 6.210 1.00 0.00 H new ATOM 103 N GLY A 9 6.125 -8.576 2.565 1.00 0.00 N ATOM 104 CA GLY A 9 6.260 -8.111 1.195 1.00 0.00 C ATOM 105 C GLY A 9 5.483 -6.812 0.977 1.00 0.00 C ATOM 106 O GLY A 9 6.017 -5.849 0.430 1.00 0.00 O ATOM 0 H GLY A 9 5.835 -9.550 2.658 1.00 0.00 H new ATOM 0 HA2 GLY A 9 7.313 -7.952 0.964 1.00 0.00 H new ATOM 0 HA3 GLY A 9 5.895 -8.876 0.510 1.00 0.00 H new ATOM 110 N VAL A 10 4.234 -6.826 1.418 1.00 0.00 N ATOM 111 CA VAL A 10 3.376 -5.661 1.279 1.00 0.00 C ATOM 112 C VAL A 10 4.095 -4.434 1.845 1.00 0.00 C ATOM 113 O VAL A 10 4.049 -3.356 1.255 1.00 0.00 O ATOM 114 CB VAL A 10 2.024 -5.922 1.945 1.00 0.00 C ATOM 115 CG1 VAL A 10 1.320 -4.608 2.289 1.00 0.00 C ATOM 116 CG2 VAL A 10 1.139 -6.804 1.062 1.00 0.00 C ATOM 0 H VAL A 10 3.795 -7.627 1.872 1.00 0.00 H new ATOM 0 HA VAL A 10 3.170 -5.462 0.227 1.00 0.00 H new ATOM 0 HB VAL A 10 2.207 -6.458 2.876 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.361 -4.822 2.761 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.941 -4.031 2.974 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.155 -4.034 1.377 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.184 -6.974 1.559 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.968 -6.307 0.107 1.00 0.00 H new ATOM 0 HG23 VAL A 10 1.634 -7.760 0.890 1.00 0.00 H new ATOM 126 N LEU A 11 4.743 -4.640 2.981 1.00 0.00 N ATOM 127 CA LEU A 11 5.471 -3.564 3.634 1.00 0.00 C ATOM 128 C LEU A 11 6.769 -3.297 2.870 1.00 0.00 C ATOM 129 O LEU A 11 7.072 -2.152 2.535 1.00 0.00 O ATOM 130 CB LEU A 11 5.683 -3.882 5.115 1.00 0.00 C ATOM 131 CG LEU A 11 5.727 -2.679 6.059 1.00 0.00 C ATOM 132 CD1 LEU A 11 4.609 -1.686 5.737 1.00 0.00 C ATOM 133 CD2 LEU A 11 5.691 -3.128 7.522 1.00 0.00 C ATOM 0 H LEU A 11 4.780 -5.536 3.467 1.00 0.00 H new ATOM 0 HA LEU A 11 4.891 -2.642 3.610 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.883 -4.546 5.442 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.617 -4.434 5.218 1.00 0.00 H new ATOM 0 HG LEU A 11 6.673 -2.159 5.904 1.00 0.00 H new ATOM 0 HD11 LEU A 11 4.664 -0.841 6.423 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.722 -1.330 4.713 1.00 0.00 H new ATOM 0 HD13 LEU A 11 3.643 -2.179 5.845 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.723 -2.254 8.172 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.773 -3.685 7.709 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.551 -3.765 7.728 1.00 0.00 H new ATOM 145 N ASP A 12 7.502 -4.371 2.618 1.00 0.00 N ATOM 146 CA ASP A 12 8.762 -4.266 1.900 1.00 0.00 C ATOM 147 C ASP A 12 8.521 -3.582 0.553 1.00 0.00 C ATOM 148 O ASP A 12 9.423 -2.956 0.001 1.00 0.00 O ATOM 149 CB ASP A 12 9.357 -5.649 1.629 1.00 0.00 C ATOM 150 CG ASP A 12 10.879 -5.734 1.759 1.00 0.00 C ATOM 151 OD1 ASP A 12 11.366 -5.515 2.890 1.00 0.00 O ATOM 152 OD2 ASP A 12 11.523 -6.016 0.725 1.00 0.00 O ATOM 0 H ASP A 12 7.248 -5.318 2.898 1.00 0.00 H new ATOM 0 HA ASP A 12 9.454 -3.690 2.514 1.00 0.00 H new ATOM 0 HB2 ASP A 12 8.908 -6.363 2.319 1.00 0.00 H new ATOM 0 HB3 ASP A 12 9.075 -5.958 0.623 1.00 0.00 H new ATOM 157 N ILE A 13 7.298 -3.726 0.063 1.00 0.00 N ATOM 158 CA ILE A 13 6.927 -3.130 -1.208 1.00 0.00 C ATOM 159 C ILE A 13 6.455 -1.693 -0.975 1.00 0.00 C ATOM 160 O ILE A 13 6.530 -0.858 -1.875 1.00 0.00 O ATOM 161 CB ILE A 13 5.900 -4.005 -1.931 1.00 0.00 C ATOM 162 CG1 ILE A 13 6.592 -5.096 -2.751 1.00 0.00 C ATOM 163 CG2 ILE A 13 4.960 -3.154 -2.787 1.00 0.00 C ATOM 164 CD1 ILE A 13 5.942 -6.460 -2.506 1.00 0.00 C ATOM 0 H ILE A 13 6.552 -4.247 0.524 1.00 0.00 H new ATOM 0 HA ILE A 13 7.791 -3.079 -1.871 1.00 0.00 H new ATOM 0 HB ILE A 13 5.287 -4.505 -1.181 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.538 -4.849 -3.811 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.649 -5.140 -2.487 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.240 -3.800 -3.290 1.00 0.00 H new ATOM 0 HG22 ILE A 13 4.429 -2.446 -2.151 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.540 -2.608 -3.532 1.00 0.00 H new ATOM 0 HD11 ILE A 13 6.452 -7.218 -3.100 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.019 -6.715 -1.449 1.00 0.00 H new ATOM 0 HD13 ILE A 13 4.892 -6.419 -2.794 1.00 0.00 H new ATOM 176 N LEU A 14 5.977 -1.451 0.237 1.00 0.00 N ATOM 177 CA LEU A 14 5.493 -0.130 0.599 1.00 0.00 C ATOM 178 C LEU A 14 6.687 0.793 0.857 1.00 0.00 C ATOM 179 O LEU A 14 6.744 1.901 0.328 1.00 0.00 O ATOM 180 CB LEU A 14 4.520 -0.221 1.777 1.00 0.00 C ATOM 181 CG LEU A 14 3.057 0.098 1.463 1.00 0.00 C ATOM 182 CD1 LEU A 14 2.541 -0.769 0.313 1.00 0.00 C ATOM 183 CD2 LEU A 14 2.188 -0.034 2.716 1.00 0.00 C ATOM 0 H LEU A 14 5.915 -2.147 0.980 1.00 0.00 H new ATOM 0 HA LEU A 14 4.924 0.306 -0.222 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.571 -1.229 2.188 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.860 0.459 2.557 1.00 0.00 H new ATOM 0 HG LEU A 14 2.995 1.136 1.135 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.499 -0.522 0.110 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.138 -0.583 -0.580 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.618 -1.821 0.588 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.153 0.198 2.467 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.250 -1.054 3.096 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.542 0.660 3.479 1.00 0.00 H new ATOM 195 N ALA A 15 7.609 0.301 1.671 1.00 0.00 N ATOM 196 CA ALA A 15 8.797 1.068 2.006 1.00 0.00 C ATOM 197 C ALA A 15 9.647 1.259 0.747 1.00 0.00 C ATOM 198 O ALA A 15 10.353 2.257 0.617 1.00 0.00 O ATOM 199 CB ALA A 15 9.563 0.360 3.124 1.00 0.00 C ATOM 0 H ALA A 15 7.558 -0.619 2.108 1.00 0.00 H new ATOM 0 HA ALA A 15 8.524 2.057 2.373 1.00 0.00 H new ATOM 0 HB1 ALA A 15 10.454 0.935 3.375 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.926 0.275 4.004 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.856 -0.636 2.790 1.00 0.00 H new ATOM 205 N ASP A 16 9.550 0.285 -0.146 1.00 0.00 N ATOM 206 CA ASP A 16 10.301 0.334 -1.390 1.00 0.00 C ATOM 207 C ASP A 16 9.658 1.355 -2.329 1.00 0.00 C ATOM 208 O ASP A 16 10.357 2.093 -3.023 1.00 0.00 O ATOM 209 CB ASP A 16 10.292 -1.026 -2.092 1.00 0.00 C ATOM 210 CG ASP A 16 11.546 -1.876 -1.871 1.00 0.00 C ATOM 211 OD1 ASP A 16 12.614 -1.265 -1.650 1.00 0.00 O ATOM 212 OD2 ASP A 16 11.407 -3.117 -1.928 1.00 0.00 O ATOM 0 H ASP A 16 8.964 -0.542 -0.033 1.00 0.00 H new ATOM 0 HA ASP A 16 11.328 0.611 -1.153 1.00 0.00 H new ATOM 0 HB2 ASP A 16 9.424 -1.589 -1.749 1.00 0.00 H new ATOM 0 HB3 ASP A 16 10.165 -0.865 -3.162 1.00 0.00 H new ATOM 217 N LEU A 17 8.333 1.366 -2.322 1.00 0.00 N ATOM 218 CA LEU A 17 7.587 2.285 -3.166 1.00 0.00 C ATOM 219 C LEU A 17 7.989 3.722 -2.827 1.00 0.00 C ATOM 220 O LEU A 17 8.358 4.492 -3.711 1.00 0.00 O ATOM 221 CB LEU A 17 6.085 2.021 -3.049 1.00 0.00 C ATOM 222 CG LEU A 17 5.358 1.687 -4.353 1.00 0.00 C ATOM 223 CD1 LEU A 17 5.459 0.194 -4.669 1.00 0.00 C ATOM 224 CD2 LEU A 17 3.906 2.167 -4.310 1.00 0.00 C ATOM 0 H LEU A 17 7.757 0.753 -1.745 1.00 0.00 H new ATOM 0 HA LEU A 17 7.833 2.125 -4.216 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.935 1.197 -2.351 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.615 2.901 -2.609 1.00 0.00 H new ATOM 0 HG LEU A 17 5.850 2.222 -5.165 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.934 -0.017 -5.601 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.507 -0.086 -4.772 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.008 -0.380 -3.860 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.412 1.917 -5.249 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.386 1.679 -3.485 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.884 3.247 -4.165 1.00 0.00 H new ATOM 236 N THR A 18 7.902 4.038 -1.543 1.00 0.00 N ATOM 237 CA THR A 18 8.252 5.369 -1.075 1.00 0.00 C ATOM 238 C THR A 18 9.763 5.587 -1.168 1.00 0.00 C ATOM 239 O THR A 18 10.216 6.665 -1.551 1.00 0.00 O ATOM 240 CB THR A 18 7.699 5.533 0.342 1.00 0.00 C ATOM 241 OG1 THR A 18 8.540 4.704 1.139 1.00 0.00 O ATOM 242 CG2 THR A 18 6.307 4.918 0.502 1.00 0.00 C ATOM 0 H THR A 18 7.594 3.396 -0.813 1.00 0.00 H new ATOM 0 HA THR A 18 7.806 6.139 -1.704 1.00 0.00 H new ATOM 0 HB THR A 18 7.658 6.592 0.597 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.254 4.751 2.075 1.00 0.00 H new ATOM 0 HG21 THR A 18 5.961 5.062 1.526 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.614 5.402 -0.187 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.353 3.852 0.281 1.00 0.00 H new ATOM 250 N GLY A 19 10.502 4.547 -0.810 1.00 0.00 N ATOM 251 CA GLY A 19 11.952 4.611 -0.847 1.00 0.00 C ATOM 252 C GLY A 19 12.528 4.833 0.553 1.00 0.00 C ATOM 253 O GLY A 19 13.727 5.060 0.707 1.00 0.00 O ATOM 0 H GLY A 19 10.123 3.655 -0.493 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.350 3.686 -1.265 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.267 5.420 -1.506 1.00 0.00 H new ATOM 257 N SER A 20 11.646 4.758 1.539 1.00 0.00 N ATOM 258 CA SER A 20 12.051 4.947 2.922 1.00 0.00 C ATOM 259 C SER A 20 11.328 3.943 3.822 1.00 0.00 C ATOM 260 O SER A 20 10.296 3.393 3.439 1.00 0.00 O ATOM 261 CB SER A 20 11.769 6.376 3.387 1.00 0.00 C ATOM 262 OG SER A 20 12.920 7.211 3.281 1.00 0.00 O ATOM 0 H SER A 20 10.652 4.569 1.408 1.00 0.00 H new ATOM 0 HA SER A 20 13.125 4.777 2.990 1.00 0.00 H new ATOM 0 HB2 SER A 20 10.960 6.798 2.791 1.00 0.00 H new ATOM 0 HB3 SER A 20 11.428 6.359 4.422 1.00 0.00 H new ATOM 0 HG SER A 20 12.697 8.115 3.586 1.00 0.00 H new ATOM 268 N ASP A 21 11.898 3.735 4.999 1.00 0.00 N ATOM 269 CA ASP A 21 11.319 2.806 5.956 1.00 0.00 C ATOM 270 C ASP A 21 10.387 3.569 6.900 1.00 0.00 C ATOM 271 O ASP A 21 10.251 3.209 8.068 1.00 0.00 O ATOM 272 CB ASP A 21 12.406 2.139 6.802 1.00 0.00 C ATOM 273 CG ASP A 21 13.689 2.957 6.968 1.00 0.00 C ATOM 274 OD1 ASP A 21 14.380 3.144 5.943 1.00 0.00 O ATOM 275 OD2 ASP A 21 13.950 3.376 8.116 1.00 0.00 O ATOM 0 H ASP A 21 12.754 4.193 5.312 1.00 0.00 H new ATOM 0 HA ASP A 21 10.776 2.042 5.399 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.998 1.927 7.790 1.00 0.00 H new ATOM 0 HB3 ASP A 21 12.660 1.180 6.350 1.00 0.00 H new ATOM 280 N ASP A 22 9.769 4.608 6.358 1.00 0.00 N ATOM 281 CA ASP A 22 8.854 5.423 7.139 1.00 0.00 C ATOM 282 C ASP A 22 7.545 4.659 7.344 1.00 0.00 C ATOM 283 O ASP A 22 6.992 4.652 8.442 1.00 0.00 O ATOM 284 CB ASP A 22 8.529 6.732 6.415 1.00 0.00 C ATOM 285 CG ASP A 22 8.629 7.991 7.278 1.00 0.00 C ATOM 286 OD1 ASP A 22 9.381 7.937 8.276 1.00 0.00 O ATOM 287 OD2 ASP A 22 7.952 8.979 6.921 1.00 0.00 O ATOM 0 H ASP A 22 9.884 4.904 5.389 1.00 0.00 H new ATOM 0 HA ASP A 22 9.331 5.646 8.093 1.00 0.00 H new ATOM 0 HB2 ASP A 22 9.204 6.837 5.566 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.518 6.665 6.012 1.00 0.00 H new ATOM 292 N VAL A 23 7.087 4.035 6.269 1.00 0.00 N ATOM 293 CA VAL A 23 5.853 3.269 6.318 1.00 0.00 C ATOM 294 C VAL A 23 6.125 1.913 6.970 1.00 0.00 C ATOM 295 O VAL A 23 5.202 1.254 7.449 1.00 0.00 O ATOM 296 CB VAL A 23 5.256 3.149 4.914 1.00 0.00 C ATOM 297 CG1 VAL A 23 6.201 2.392 3.980 1.00 0.00 C ATOM 298 CG2 VAL A 23 3.879 2.483 4.959 1.00 0.00 C ATOM 0 H VAL A 23 7.548 4.044 5.359 1.00 0.00 H new ATOM 0 HA VAL A 23 5.110 3.780 6.930 1.00 0.00 H new ATOM 0 HB VAL A 23 5.128 4.156 4.517 1.00 0.00 H new ATOM 0 HG11 VAL A 23 5.753 2.321 2.989 1.00 0.00 H new ATOM 0 HG12 VAL A 23 7.149 2.925 3.912 1.00 0.00 H new ATOM 0 HG13 VAL A 23 6.375 1.390 4.372 1.00 0.00 H new ATOM 0 HG21 VAL A 23 3.477 2.410 3.948 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.972 1.484 5.386 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.206 3.080 5.575 1.00 0.00 H new ATOM 308 N LYS A 24 7.394 1.535 6.968 1.00 0.00 N ATOM 309 CA LYS A 24 7.799 0.268 7.554 1.00 0.00 C ATOM 310 C LYS A 24 7.616 0.332 9.072 1.00 0.00 C ATOM 311 O LYS A 24 7.527 -0.702 9.734 1.00 0.00 O ATOM 312 CB LYS A 24 9.222 -0.092 7.120 1.00 0.00 C ATOM 313 CG LYS A 24 9.597 -1.499 7.588 1.00 0.00 C ATOM 314 CD LYS A 24 10.463 -1.446 8.848 1.00 0.00 C ATOM 315 CE LYS A 24 11.634 -2.426 8.752 1.00 0.00 C ATOM 316 NZ LYS A 24 11.967 -2.970 10.086 1.00 0.00 N ATOM 0 H LYS A 24 8.156 2.084 6.570 1.00 0.00 H new ATOM 0 HA LYS A 24 7.165 -0.541 7.190 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.301 -0.033 6.035 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.926 0.632 7.531 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.692 -2.073 7.788 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.134 -2.019 6.795 1.00 0.00 H new ATOM 0 HD2 LYS A 24 10.842 -0.434 8.990 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.856 -1.685 9.721 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.379 -3.241 8.074 1.00 0.00 H new ATOM 0 HE3 LYS A 24 12.504 -1.922 8.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 12.764 -3.633 10.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 12.231 -2.191 10.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 11.141 -3.469 10.473 1.00 0.00 H new ATOM 330 N LYS A 25 7.567 1.554 9.579 1.00 0.00 N ATOM 331 CA LYS A 25 7.396 1.766 11.007 1.00 0.00 C ATOM 332 C LYS A 25 5.959 2.214 11.284 1.00 0.00 C ATOM 333 O LYS A 25 5.157 1.446 11.812 1.00 0.00 O ATOM 334 CB LYS A 25 8.455 2.736 11.535 1.00 0.00 C ATOM 335 CG LYS A 25 8.172 3.119 12.989 1.00 0.00 C ATOM 336 CD LYS A 25 7.477 4.479 13.072 1.00 0.00 C ATOM 337 CE LYS A 25 8.384 5.519 13.734 1.00 0.00 C ATOM 338 NZ LYS A 25 8.263 6.824 13.048 1.00 0.00 N ATOM 0 H LYS A 25 7.643 2.408 9.027 1.00 0.00 H new ATOM 0 HA LYS A 25 7.550 0.834 11.551 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.441 2.278 11.461 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.473 3.633 10.916 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.546 2.358 13.454 1.00 0.00 H new ATOM 0 HG3 LYS A 25 9.106 3.149 13.549 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.204 4.814 12.071 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.551 4.384 13.640 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.116 5.628 14.785 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.419 5.180 13.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.499 7.589 13.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.917 6.853 12.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.288 6.949 12.709 1.00 0.00 H new ATOM 352 N ASN A 26 5.679 3.454 10.913 1.00 0.00 N ATOM 353 CA ASN A 26 4.353 4.013 11.114 1.00 0.00 C ATOM 354 C ASN A 26 3.321 3.143 10.393 1.00 0.00 C ATOM 355 O ASN A 26 3.519 2.771 9.237 1.00 0.00 O ATOM 356 CB ASN A 26 4.259 5.429 10.543 1.00 0.00 C ATOM 357 CG ASN A 26 4.757 6.463 11.554 1.00 0.00 C ATOM 358 OD1 ASN A 26 5.942 6.596 11.813 1.00 0.00 O ATOM 359 ND2 ASN A 26 3.790 7.186 12.110 1.00 0.00 N ATOM 0 H ASN A 26 6.347 4.088 10.474 1.00 0.00 H new ATOM 0 HA ASN A 26 4.160 4.043 12.186 1.00 0.00 H new ATOM 0 HB2 ASN A 26 4.849 5.496 9.629 1.00 0.00 H new ATOM 0 HB3 ASN A 26 3.226 5.648 10.273 1.00 0.00 H new ATOM 0 HD21 ASN A 26 4.021 7.903 12.798 1.00 0.00 H new ATOM 0 HD22 ASN A 26 2.817 7.024 11.849 1.00 0.00 H new ATOM 366 N LEU A 27 2.245 2.843 11.105 1.00 0.00 N ATOM 367 CA LEU A 27 1.183 2.024 10.548 1.00 0.00 C ATOM 368 C LEU A 27 -0.031 2.905 10.247 1.00 0.00 C ATOM 369 O LEU A 27 -1.168 2.437 10.290 1.00 0.00 O ATOM 370 CB LEU A 27 0.874 0.845 11.472 1.00 0.00 C ATOM 371 CG LEU A 27 2.014 -0.150 11.695 1.00 0.00 C ATOM 372 CD1 LEU A 27 1.690 -1.107 12.844 1.00 0.00 C ATOM 373 CD2 LEU A 27 2.349 -0.898 10.403 1.00 0.00 C ATOM 0 H LEU A 27 2.086 3.153 12.064 1.00 0.00 H new ATOM 0 HA LEU A 27 1.499 1.583 9.603 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.568 1.239 12.441 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.020 0.304 11.064 1.00 0.00 H new ATOM 0 HG LEU A 27 2.904 0.409 11.983 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.517 -1.804 12.981 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.540 -0.537 13.761 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.782 -1.663 12.609 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.163 -1.599 10.589 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.470 -1.444 10.061 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.653 -0.184 9.638 1.00 0.00 H new ATOM 385 N ASP A 28 0.251 4.165 9.950 1.00 0.00 N ATOM 386 CA ASP A 28 -0.803 5.116 9.643 1.00 0.00 C ATOM 387 C ASP A 28 -0.184 6.383 9.050 1.00 0.00 C ATOM 388 O ASP A 28 -0.713 7.479 9.231 1.00 0.00 O ATOM 389 CB ASP A 28 -1.573 5.511 10.905 1.00 0.00 C ATOM 390 CG ASP A 28 -3.082 5.263 10.846 1.00 0.00 C ATOM 391 OD1 ASP A 28 -3.511 4.603 9.875 1.00 0.00 O ATOM 392 OD2 ASP A 28 -3.771 5.738 11.774 1.00 0.00 O ATOM 0 H ASP A 28 1.195 4.549 9.916 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.487 4.646 8.936 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.162 4.960 11.751 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -1.401 6.569 11.101 1.00 0.00 H new ATOM 397 N LEU A 29 0.926 6.192 8.354 1.00 0.00 N ATOM 398 CA LEU A 29 1.623 7.305 7.733 1.00 0.00 C ATOM 399 C LEU A 29 1.039 7.553 6.340 1.00 0.00 C ATOM 400 O LEU A 29 1.385 6.859 5.386 1.00 0.00 O ATOM 401 CB LEU A 29 3.132 7.059 7.731 1.00 0.00 C ATOM 402 CG LEU A 29 3.989 8.154 7.092 1.00 0.00 C ATOM 403 CD1 LEU A 29 4.418 9.192 8.131 1.00 0.00 C ATOM 404 CD2 LEU A 29 5.188 7.552 6.356 1.00 0.00 C ATOM 0 H LEU A 29 1.361 5.281 8.206 1.00 0.00 H new ATOM 0 HA LEU A 29 1.473 8.217 8.310 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.460 6.924 8.762 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.327 6.122 7.209 1.00 0.00 H new ATOM 0 HG LEU A 29 3.382 8.673 6.350 1.00 0.00 H new ATOM 0 HD11 LEU A 29 5.026 9.958 7.650 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.534 9.653 8.571 1.00 0.00 H new ATOM 0 HD13 LEU A 29 5.000 8.705 8.913 1.00 0.00 H new ATOM 0 HD21 LEU A 29 5.781 8.351 5.911 1.00 0.00 H new ATOM 0 HD22 LEU A 29 5.804 6.993 7.060 1.00 0.00 H new ATOM 0 HD23 LEU A 29 4.835 6.883 5.572 1.00 0.00 H new ATOM 416 N ASN A 30 0.165 8.547 6.268 1.00 0.00 N ATOM 417 CA ASN A 30 -0.471 8.895 5.008 1.00 0.00 C ATOM 418 C ASN A 30 0.549 8.762 3.875 1.00 0.00 C ATOM 419 O ASN A 30 1.603 9.396 3.905 1.00 0.00 O ATOM 420 CB ASN A 30 -0.972 10.340 5.027 1.00 0.00 C ATOM 421 CG ASN A 30 -1.698 10.652 6.336 1.00 0.00 C ATOM 422 OD1 ASN A 30 -1.464 11.663 6.979 1.00 0.00 O ATOM 423 ND2 ASN A 30 -2.588 9.732 6.695 1.00 0.00 N ATOM 0 H ASN A 30 -0.118 9.122 7.062 1.00 0.00 H new ATOM 0 HA ASN A 30 -1.315 8.222 4.857 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -0.131 11.022 4.902 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -1.645 10.506 4.186 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -3.124 9.849 7.555 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -2.735 8.909 6.111 1.00 0.00 H new ATOM 430 N LEU A 31 0.199 7.934 2.901 1.00 0.00 N ATOM 431 CA LEU A 31 1.070 7.710 1.761 1.00 0.00 C ATOM 432 C LEU A 31 0.732 8.718 0.661 1.00 0.00 C ATOM 433 O LEU A 31 1.254 8.630 -0.450 1.00 0.00 O ATOM 434 CB LEU A 31 0.990 6.252 1.303 1.00 0.00 C ATOM 435 CG LEU A 31 1.413 5.203 2.334 1.00 0.00 C ATOM 436 CD1 LEU A 31 0.747 3.855 2.048 1.00 0.00 C ATOM 437 CD2 LEU A 31 2.937 5.085 2.404 1.00 0.00 C ATOM 0 H LEU A 31 -0.676 7.410 2.879 1.00 0.00 H new ATOM 0 HA LEU A 31 2.111 7.876 2.039 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.036 6.042 1.000 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.614 6.135 0.417 1.00 0.00 H new ATOM 0 HG LEU A 31 1.070 5.531 3.315 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.064 3.127 2.795 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.336 3.968 2.089 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.038 3.508 1.057 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.210 4.333 3.144 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.324 4.791 1.428 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.364 6.047 2.689 1.00 0.00 H new ATOM 449 N PHE A 32 -0.140 9.654 1.008 1.00 0.00 N ATOM 450 CA PHE A 32 -0.554 10.677 0.063 1.00 0.00 C ATOM 451 C PHE A 32 -0.467 12.070 0.691 1.00 0.00 C ATOM 452 O PHE A 32 0.070 12.996 0.084 1.00 0.00 O ATOM 453 CB PHE A 32 -2.011 10.387 -0.302 1.00 0.00 C ATOM 454 CG PHE A 32 -2.238 10.122 -1.792 1.00 0.00 C ATOM 455 CD1 PHE A 32 -2.122 8.860 -2.285 1.00 0.00 C ATOM 456 CD2 PHE A 32 -2.557 11.149 -2.624 1.00 0.00 C ATOM 457 CE1 PHE A 32 -2.332 8.615 -3.667 1.00 0.00 C ATOM 458 CE2 PHE A 32 -2.767 10.905 -4.006 1.00 0.00 C ATOM 459 CZ PHE A 32 -2.651 9.642 -4.499 1.00 0.00 C ATOM 0 H PHE A 32 -0.571 9.725 1.930 1.00 0.00 H new ATOM 0 HA PHE A 32 0.096 10.659 -0.812 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.352 9.522 0.267 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -2.627 11.233 0.004 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -1.870 8.044 -1.624 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -2.651 12.151 -2.233 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -2.238 7.613 -4.058 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -3.019 11.722 -4.666 1.00 0.00 H new ATOM 0 HZ PHE A 32 -2.812 9.455 -5.550 1.00 0.00 H new ATOM 469 N GLU A 33 -1.002 12.174 1.899 1.00 0.00 N ATOM 470 CA GLU A 33 -0.991 13.438 2.616 1.00 0.00 C ATOM 471 C GLU A 33 0.433 13.789 3.051 1.00 0.00 C ATOM 472 O GLU A 33 0.707 14.927 3.431 1.00 0.00 O ATOM 473 CB GLU A 33 -1.937 13.394 3.818 1.00 0.00 C ATOM 474 CG GLU A 33 -3.130 14.329 3.610 1.00 0.00 C ATOM 475 CD GLU A 33 -3.028 15.558 4.516 1.00 0.00 C ATOM 476 OE1 GLU A 33 -1.891 16.054 4.673 1.00 0.00 O ATOM 477 OE2 GLU A 33 -4.089 15.974 5.030 1.00 0.00 O ATOM 0 H GLU A 33 -1.446 11.404 2.399 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.347 14.219 1.944 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.291 12.374 3.970 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.398 13.682 4.721 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.172 14.644 2.567 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -4.056 13.794 3.819 1.00 0.00 H new ATOM 484 N THR A 34 1.302 12.793 2.980 1.00 0.00 N ATOM 485 CA THR A 34 2.691 12.982 3.361 1.00 0.00 C ATOM 486 C THR A 34 3.555 13.233 2.124 1.00 0.00 C ATOM 487 O THR A 34 4.698 13.673 2.239 1.00 0.00 O ATOM 488 CB THR A 34 3.131 11.759 4.170 1.00 0.00 C ATOM 489 OG1 THR A 34 2.186 11.690 5.235 1.00 0.00 O ATOM 490 CG2 THR A 34 4.472 11.975 4.875 1.00 0.00 C ATOM 0 H THR A 34 1.071 11.851 2.664 1.00 0.00 H new ATOM 0 HA THR A 34 2.811 13.866 3.988 1.00 0.00 H new ATOM 0 HB THR A 34 3.203 10.894 3.511 1.00 0.00 H new ATOM 0 HG1 THR A 34 2.395 10.924 5.809 1.00 0.00 H new ATOM 0 HG21 THR A 34 4.738 11.078 5.434 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.244 12.182 4.134 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.391 12.819 5.560 1.00 0.00 H new ATOM 498 N GLY A 35 2.974 12.945 0.968 1.00 0.00 N ATOM 499 CA GLY A 35 3.677 13.134 -0.289 1.00 0.00 C ATOM 500 C GLY A 35 4.535 11.913 -0.628 1.00 0.00 C ATOM 501 O GLY A 35 5.160 11.864 -1.686 1.00 0.00 O ATOM 0 H GLY A 35 2.025 12.582 0.876 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.958 13.311 -1.089 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.308 14.020 -0.227 1.00 0.00 H new ATOM 505 N LEU A 36 4.539 10.959 0.292 1.00 0.00 N ATOM 506 CA LEU A 36 5.309 9.743 0.104 1.00 0.00 C ATOM 507 C LEU A 36 5.115 9.235 -1.327 1.00 0.00 C ATOM 508 O LEU A 36 6.048 8.715 -1.937 1.00 0.00 O ATOM 509 CB LEU A 36 4.952 8.711 1.176 1.00 0.00 C ATOM 510 CG LEU A 36 5.827 8.717 2.430 1.00 0.00 C ATOM 511 CD1 LEU A 36 7.311 8.646 2.064 1.00 0.00 C ATOM 512 CD2 LEU A 36 5.512 9.925 3.314 1.00 0.00 C ATOM 0 H LEU A 36 4.021 11.005 1.169 1.00 0.00 H new ATOM 0 HA LEU A 36 6.373 9.944 0.229 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.917 8.873 1.478 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.001 7.719 0.728 1.00 0.00 H new ATOM 0 HG LEU A 36 5.596 7.824 3.011 1.00 0.00 H new ATOM 0 HD11 LEU A 36 7.911 8.652 2.974 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.505 7.729 1.507 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.576 9.506 1.449 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.148 9.904 4.199 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.697 10.843 2.755 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.466 9.890 3.619 1.00 0.00 H new ATOM 524 N LEU A 37 3.897 9.406 -1.820 1.00 0.00 N ATOM 525 CA LEU A 37 3.568 8.972 -3.167 1.00 0.00 C ATOM 526 C LEU A 37 2.879 10.117 -3.913 1.00 0.00 C ATOM 527 O LEU A 37 2.590 11.159 -3.327 1.00 0.00 O ATOM 528 CB LEU A 37 2.748 7.681 -3.129 1.00 0.00 C ATOM 529 CG LEU A 37 3.549 6.379 -3.066 1.00 0.00 C ATOM 530 CD1 LEU A 37 2.618 5.165 -3.015 1.00 0.00 C ATOM 531 CD2 LEU A 37 4.544 6.290 -4.225 1.00 0.00 C ATOM 0 H LEU A 37 3.126 9.839 -1.311 1.00 0.00 H new ATOM 0 HA LEU A 37 4.475 8.730 -3.721 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.087 7.720 -2.264 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.113 7.651 -4.014 1.00 0.00 H new ATOM 0 HG LEU A 37 4.129 6.379 -2.143 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.212 4.252 -2.971 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.985 5.229 -2.130 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.993 5.148 -3.908 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.100 5.355 -4.156 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.004 6.322 -5.171 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.238 7.129 -4.174 1.00 0.00 H new ATOM 543 N ASP A 38 2.636 9.884 -5.195 1.00 0.00 N ATOM 544 CA ASP A 38 1.987 10.883 -6.026 1.00 0.00 C ATOM 545 C ASP A 38 0.802 10.242 -6.753 1.00 0.00 C ATOM 546 O ASP A 38 -0.335 10.690 -6.609 1.00 0.00 O ATOM 547 CB ASP A 38 2.949 11.431 -7.081 1.00 0.00 C ATOM 548 CG ASP A 38 3.291 12.915 -6.936 1.00 0.00 C ATOM 549 OD1 ASP A 38 2.540 13.602 -6.211 1.00 0.00 O ATOM 550 OD2 ASP A 38 4.296 13.329 -7.553 1.00 0.00 O ATOM 0 H ASP A 38 2.877 9.018 -5.678 1.00 0.00 H new ATOM 0 HA ASP A 38 1.658 11.698 -5.381 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.874 10.855 -7.042 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.514 11.269 -8.067 1.00 0.00 H new ATOM 555 N SER A 39 1.109 9.205 -7.519 1.00 0.00 N ATOM 556 CA SER A 39 0.084 8.499 -8.268 1.00 0.00 C ATOM 557 C SER A 39 0.679 7.245 -8.913 1.00 0.00 C ATOM 558 O SER A 39 0.309 6.126 -8.558 1.00 0.00 O ATOM 559 CB SER A 39 -0.537 9.402 -9.336 1.00 0.00 C ATOM 560 OG SER A 39 -1.498 8.708 -10.128 1.00 0.00 O ATOM 0 H SER A 39 2.053 8.837 -7.637 1.00 0.00 H new ATOM 0 HA SER A 39 -0.705 8.205 -7.576 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.012 10.257 -8.856 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.249 9.795 -9.981 1.00 0.00 H new ATOM 0 HG SER A 39 -1.873 9.318 -10.797 1.00 0.00 H new ATOM 566 N MET A 40 1.588 7.473 -9.848 1.00 0.00 N ATOM 567 CA MET A 40 2.237 6.376 -10.544 1.00 0.00 C ATOM 568 C MET A 40 2.640 5.268 -9.569 1.00 0.00 C ATOM 569 O MET A 40 2.523 4.085 -9.884 1.00 0.00 O ATOM 570 CB MET A 40 3.480 6.895 -11.270 1.00 0.00 C ATOM 571 CG MET A 40 3.102 7.575 -12.587 1.00 0.00 C ATOM 572 SD MET A 40 3.663 6.591 -13.967 1.00 0.00 S ATOM 573 CE MET A 40 2.091 6.132 -14.679 1.00 0.00 C ATOM 0 H MET A 40 1.891 8.402 -10.140 1.00 0.00 H new ATOM 0 HA MET A 40 1.532 5.961 -11.264 1.00 0.00 H new ATOM 0 HB2 MET A 40 4.010 7.601 -10.631 1.00 0.00 H new ATOM 0 HB3 MET A 40 4.163 6.068 -11.466 1.00 0.00 H new ATOM 0 HG2 MET A 40 2.021 7.708 -12.640 1.00 0.00 H new ATOM 0 HG3 MET A 40 3.548 8.569 -12.634 1.00 0.00 H new ATOM 0 HE1 MET A 40 2.258 5.510 -15.558 1.00 0.00 H new ATOM 0 HE2 MET A 40 1.508 5.575 -13.946 1.00 0.00 H new ATOM 0 HE3 MET A 40 1.546 7.031 -14.968 1.00 0.00 H new ATOM 583 N GLY A 41 3.106 5.692 -8.404 1.00 0.00 N ATOM 584 CA GLY A 41 3.527 4.750 -7.380 1.00 0.00 C ATOM 585 C GLY A 41 2.397 3.782 -7.026 1.00 0.00 C ATOM 586 O GLY A 41 2.539 2.571 -7.185 1.00 0.00 O ATOM 0 H GLY A 41 3.202 6.674 -8.146 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.394 4.190 -7.731 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.838 5.293 -6.488 1.00 0.00 H new ATOM 590 N THR A 42 1.298 4.353 -6.553 1.00 0.00 N ATOM 591 CA THR A 42 0.144 3.556 -6.176 1.00 0.00 C ATOM 592 C THR A 42 -0.187 2.543 -7.274 1.00 0.00 C ATOM 593 O THR A 42 -0.541 1.401 -6.984 1.00 0.00 O ATOM 594 CB THR A 42 -1.010 4.511 -5.864 1.00 0.00 C ATOM 595 OG1 THR A 42 -1.491 4.072 -4.596 1.00 0.00 O ATOM 596 CG2 THR A 42 -2.201 4.317 -6.803 1.00 0.00 C ATOM 0 H THR A 42 1.183 5.358 -6.423 1.00 0.00 H new ATOM 0 HA THR A 42 0.347 2.966 -5.283 1.00 0.00 H new ATOM 0 HB THR A 42 -0.658 5.540 -5.933 1.00 0.00 H new ATOM 0 HG1 THR A 42 -2.240 4.638 -4.316 1.00 0.00 H new ATOM 0 HG21 THR A 42 -2.991 5.019 -6.538 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.887 4.496 -7.831 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.575 3.297 -6.710 1.00 0.00 H new ATOM 604 N VAL A 43 -0.059 2.998 -8.513 1.00 0.00 N ATOM 605 CA VAL A 43 -0.340 2.145 -9.655 1.00 0.00 C ATOM 606 C VAL A 43 0.556 0.906 -9.594 1.00 0.00 C ATOM 607 O VAL A 43 0.063 -0.220 -9.562 1.00 0.00 O ATOM 608 CB VAL A 43 -0.174 2.940 -10.952 1.00 0.00 C ATOM 609 CG1 VAL A 43 -0.538 2.085 -12.168 1.00 0.00 C ATOM 610 CG2 VAL A 43 -1.003 4.225 -10.917 1.00 0.00 C ATOM 0 H VAL A 43 0.235 3.945 -8.750 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.373 1.799 -9.630 1.00 0.00 H new ATOM 0 HB VAL A 43 0.875 3.221 -11.042 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.412 2.673 -13.077 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.113 1.212 -12.207 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.575 1.760 -12.087 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.867 4.771 -11.850 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.057 3.975 -10.793 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.677 4.846 -10.083 1.00 0.00 H new ATOM 620 N GLN A 44 1.858 1.157 -9.580 1.00 0.00 N ATOM 621 CA GLN A 44 2.827 0.075 -9.524 1.00 0.00 C ATOM 622 C GLN A 44 2.525 -0.846 -8.341 1.00 0.00 C ATOM 623 O GLN A 44 2.478 -2.066 -8.496 1.00 0.00 O ATOM 624 CB GLN A 44 4.253 0.621 -9.443 1.00 0.00 C ATOM 625 CG GLN A 44 5.279 -0.479 -9.728 1.00 0.00 C ATOM 626 CD GLN A 44 6.488 0.080 -10.480 1.00 0.00 C ATOM 627 OE1 GLN A 44 6.646 -0.103 -11.676 1.00 0.00 O ATOM 628 NE2 GLN A 44 7.329 0.770 -9.716 1.00 0.00 N ATOM 0 H GLN A 44 2.264 2.093 -9.606 1.00 0.00 H new ATOM 0 HA GLN A 44 2.747 -0.507 -10.442 1.00 0.00 H new ATOM 0 HB2 GLN A 44 4.377 1.433 -10.160 1.00 0.00 H new ATOM 0 HB3 GLN A 44 4.430 1.040 -8.453 1.00 0.00 H new ATOM 0 HG2 GLN A 44 5.606 -0.928 -8.790 1.00 0.00 H new ATOM 0 HG3 GLN A 44 4.815 -1.271 -10.316 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.137 0.885 -8.721 1.00 0.00 H new ATOM 0 HE22 GLN A 44 8.167 1.184 -10.125 1.00 0.00 H new ATOM 637 N LEU A 45 2.328 -0.229 -7.186 1.00 0.00 N ATOM 638 CA LEU A 45 2.033 -0.979 -5.977 1.00 0.00 C ATOM 639 C LEU A 45 0.928 -1.996 -6.270 1.00 0.00 C ATOM 640 O LEU A 45 1.007 -3.145 -5.838 1.00 0.00 O ATOM 641 CB LEU A 45 1.704 -0.029 -4.824 1.00 0.00 C ATOM 642 CG LEU A 45 0.382 -0.288 -4.097 1.00 0.00 C ATOM 643 CD1 LEU A 45 0.326 -1.717 -3.554 1.00 0.00 C ATOM 644 CD2 LEU A 45 0.146 0.751 -3.000 1.00 0.00 C ATOM 0 H LEU A 45 2.367 0.783 -7.061 1.00 0.00 H new ATOM 0 HA LEU A 45 2.909 -1.543 -5.655 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.513 -0.081 -4.095 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.689 0.990 -5.212 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.429 -0.185 -4.818 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.623 -1.875 -3.042 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.415 -2.424 -4.379 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.146 -1.872 -2.853 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.800 0.543 -2.500 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.958 0.705 -2.274 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.111 1.746 -3.443 1.00 0.00 H new ATOM 656 N LEU A 46 -0.076 -1.537 -7.003 1.00 0.00 N ATOM 657 CA LEU A 46 -1.195 -2.392 -7.359 1.00 0.00 C ATOM 658 C LEU A 46 -0.692 -3.548 -8.226 1.00 0.00 C ATOM 659 O LEU A 46 -1.248 -4.646 -8.187 1.00 0.00 O ATOM 660 CB LEU A 46 -2.309 -1.572 -8.014 1.00 0.00 C ATOM 661 CG LEU A 46 -3.573 -1.371 -7.177 1.00 0.00 C ATOM 662 CD1 LEU A 46 -4.607 -0.539 -7.938 1.00 0.00 C ATOM 663 CD2 LEU A 46 -4.145 -2.712 -6.715 1.00 0.00 C ATOM 0 H LEU A 46 -0.138 -0.584 -7.360 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.638 -2.832 -6.465 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.908 -0.592 -8.272 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.589 -2.058 -8.949 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.304 -0.811 -6.281 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.496 -0.411 -7.321 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.185 0.438 -8.174 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.877 -1.051 -8.862 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.043 -2.540 -6.122 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.395 -3.320 -7.585 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.405 -3.234 -6.109 1.00 0.00 H new ATOM 675 N LEU A 47 0.355 -3.264 -8.987 1.00 0.00 N ATOM 676 CA LEU A 47 0.939 -4.267 -9.861 1.00 0.00 C ATOM 677 C LEU A 47 1.584 -5.363 -9.012 1.00 0.00 C ATOM 678 O LEU A 47 1.518 -6.542 -9.359 1.00 0.00 O ATOM 679 CB LEU A 47 1.899 -3.614 -10.858 1.00 0.00 C ATOM 680 CG LEU A 47 1.586 -3.842 -12.338 1.00 0.00 C ATOM 681 CD1 LEU A 47 1.782 -5.310 -12.721 1.00 0.00 C ATOM 682 CD2 LEU A 47 0.182 -3.342 -12.685 1.00 0.00 C ATOM 0 H LEU A 47 0.814 -2.354 -9.016 1.00 0.00 H new ATOM 0 HA LEU A 47 0.167 -4.745 -10.464 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.911 -2.540 -10.671 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.905 -3.983 -10.659 1.00 0.00 H new ATOM 0 HG LEU A 47 2.291 -3.258 -12.929 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.553 -5.444 -13.778 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.816 -5.600 -12.534 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.117 -5.934 -12.124 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.015 -3.516 -13.743 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.554 -3.878 -12.086 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.113 -2.275 -12.474 1.00 0.00 H new ATOM 694 N GLU A 48 2.195 -4.937 -7.917 1.00 0.00 N ATOM 695 CA GLU A 48 2.853 -5.867 -7.015 1.00 0.00 C ATOM 696 C GLU A 48 1.820 -6.566 -6.128 1.00 0.00 C ATOM 697 O GLU A 48 2.060 -7.671 -5.643 1.00 0.00 O ATOM 698 CB GLU A 48 3.912 -5.157 -6.170 1.00 0.00 C ATOM 699 CG GLU A 48 5.322 -5.561 -6.605 1.00 0.00 C ATOM 700 CD GLU A 48 5.560 -7.055 -6.373 1.00 0.00 C ATOM 701 OE1 GLU A 48 4.906 -7.598 -5.458 1.00 0.00 O ATOM 702 OE2 GLU A 48 6.392 -7.619 -7.117 1.00 0.00 O ATOM 0 H GLU A 48 2.248 -3.959 -7.633 1.00 0.00 H new ATOM 0 HA GLU A 48 3.362 -6.624 -7.612 1.00 0.00 H new ATOM 0 HB2 GLU A 48 3.794 -4.078 -6.264 1.00 0.00 H new ATOM 0 HB3 GLU A 48 3.768 -5.403 -5.118 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.462 -5.326 -7.660 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.058 -4.981 -6.049 1.00 0.00 H new ATOM 709 N LEU A 49 0.695 -5.892 -5.942 1.00 0.00 N ATOM 710 CA LEU A 49 -0.375 -6.435 -5.121 1.00 0.00 C ATOM 711 C LEU A 49 -1.243 -7.365 -5.971 1.00 0.00 C ATOM 712 O LEU A 49 -2.076 -8.099 -5.441 1.00 0.00 O ATOM 713 CB LEU A 49 -1.159 -5.306 -4.448 1.00 0.00 C ATOM 714 CG LEU A 49 -0.553 -4.743 -3.162 1.00 0.00 C ATOM 715 CD1 LEU A 49 -1.561 -3.865 -2.420 1.00 0.00 C ATOM 716 CD2 LEU A 49 -0.009 -5.866 -2.274 1.00 0.00 C ATOM 0 H LEU A 49 0.501 -4.975 -6.345 1.00 0.00 H new ATOM 0 HA LEU A 49 0.035 -7.036 -4.309 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.268 -4.490 -5.162 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.162 -5.670 -4.225 1.00 0.00 H new ATOM 0 HG LEU A 49 0.291 -4.108 -3.432 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.105 -3.477 -1.509 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.859 -3.034 -3.059 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.439 -4.457 -2.162 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.416 -5.438 -1.366 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.819 -6.546 -2.010 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.764 -6.414 -2.813 1.00 0.00 H new ATOM 728 N GLN A 50 -1.018 -7.304 -7.275 1.00 0.00 N ATOM 729 CA GLN A 50 -1.770 -8.131 -8.205 1.00 0.00 C ATOM 730 C GLN A 50 -0.853 -9.175 -8.845 1.00 0.00 C ATOM 731 O GLN A 50 -1.211 -9.787 -9.851 1.00 0.00 O ATOM 732 CB GLN A 50 -2.455 -7.275 -9.271 1.00 0.00 C ATOM 733 CG GLN A 50 -3.435 -8.109 -10.098 1.00 0.00 C ATOM 734 CD GLN A 50 -3.206 -7.899 -11.596 1.00 0.00 C ATOM 735 OE1 GLN A 50 -2.090 -7.743 -12.063 1.00 0.00 O ATOM 736 NE2 GLN A 50 -4.322 -7.906 -12.319 1.00 0.00 N ATOM 0 H GLN A 50 -0.326 -6.695 -7.710 1.00 0.00 H new ATOM 0 HA GLN A 50 -2.550 -8.652 -7.650 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -2.986 -6.451 -8.795 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -1.704 -6.834 -9.926 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -3.317 -9.164 -9.853 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -4.458 -7.835 -9.841 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -5.224 -8.042 -11.863 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -4.276 -7.775 -13.330 1.00 0.00 H new ATOM 745 N SER A 51 0.311 -9.348 -8.237 1.00 0.00 N ATOM 746 CA SER A 51 1.281 -10.309 -8.735 1.00 0.00 C ATOM 747 C SER A 51 1.582 -11.355 -7.660 1.00 0.00 C ATOM 748 O SER A 51 1.418 -12.553 -7.891 1.00 0.00 O ATOM 749 CB SER A 51 2.570 -9.612 -9.172 1.00 0.00 C ATOM 750 OG SER A 51 3.212 -10.299 -10.243 1.00 0.00 O ATOM 0 H SER A 51 0.605 -8.839 -7.403 1.00 0.00 H new ATOM 0 HA SER A 51 0.854 -10.806 -9.606 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.344 -8.591 -9.480 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.251 -9.545 -8.324 1.00 0.00 H new ATOM 0 HG SER A 51 4.030 -9.822 -10.494 1.00 0.00 H new ATOM 756 N GLN A 52 2.015 -10.865 -6.508 1.00 0.00 N ATOM 757 CA GLN A 52 2.340 -11.744 -5.397 1.00 0.00 C ATOM 758 C GLN A 52 1.089 -12.034 -4.565 1.00 0.00 C ATOM 759 O GLN A 52 1.024 -13.041 -3.863 1.00 0.00 O ATOM 760 CB GLN A 52 3.448 -11.144 -4.529 1.00 0.00 C ATOM 761 CG GLN A 52 4.747 -10.995 -5.324 1.00 0.00 C ATOM 762 CD GLN A 52 5.711 -12.143 -5.019 1.00 0.00 C ATOM 763 OE1 GLN A 52 5.499 -13.284 -5.397 1.00 0.00 O ATOM 764 NE2 GLN A 52 6.780 -11.779 -4.315 1.00 0.00 N ATOM 0 H GLN A 52 2.148 -9.871 -6.320 1.00 0.00 H new ATOM 0 HA GLN A 52 2.710 -12.686 -5.802 1.00 0.00 H new ATOM 0 HB2 GLN A 52 3.134 -10.170 -4.153 1.00 0.00 H new ATOM 0 HB3 GLN A 52 3.620 -11.780 -3.661 1.00 0.00 H new ATOM 0 HG2 GLN A 52 4.524 -10.976 -6.391 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.220 -10.044 -5.080 1.00 0.00 H new ATOM 0 HE21 GLN A 52 6.896 -10.806 -4.030 1.00 0.00 H new ATOM 0 HE22 GLN A 52 7.483 -12.473 -4.060 1.00 0.00 H new ATOM 773 N PHE A 53 0.124 -11.130 -4.673 1.00 0.00 N ATOM 774 CA PHE A 53 -1.122 -11.276 -3.939 1.00 0.00 C ATOM 775 C PHE A 53 -2.316 -11.343 -4.895 1.00 0.00 C ATOM 776 O PHE A 53 -3.441 -11.595 -4.469 1.00 0.00 O ATOM 777 CB PHE A 53 -1.264 -10.040 -3.050 1.00 0.00 C ATOM 778 CG PHE A 53 0.045 -9.587 -2.400 1.00 0.00 C ATOM 779 CD1 PHE A 53 1.008 -8.994 -3.155 1.00 0.00 C ATOM 780 CD2 PHE A 53 0.245 -9.777 -1.069 1.00 0.00 C ATOM 781 CE1 PHE A 53 2.223 -8.572 -2.552 1.00 0.00 C ATOM 782 CE2 PHE A 53 1.460 -9.356 -0.467 1.00 0.00 C ATOM 783 CZ PHE A 53 2.423 -8.763 -1.222 1.00 0.00 C ATOM 0 H PHE A 53 0.180 -10.296 -5.257 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.106 -12.197 -3.356 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.664 -9.220 -3.646 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.993 -10.250 -2.267 1.00 0.00 H new ATOM 0 HD1 PHE A 53 0.849 -8.844 -4.213 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.520 -10.248 -0.470 1.00 0.00 H new ATOM 0 HE1 PHE A 53 2.988 -8.099 -3.151 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.619 -9.507 0.590 1.00 0.00 H new ATOM 0 HZ PHE A 53 3.347 -8.444 -0.764 1.00 0.00 H new ATOM 793 N GLY A 54 -2.027 -11.112 -6.167 1.00 0.00 N ATOM 794 CA GLY A 54 -3.063 -11.142 -7.186 1.00 0.00 C ATOM 795 C GLY A 54 -4.340 -10.460 -6.690 1.00 0.00 C ATOM 796 O GLY A 54 -5.442 -10.956 -6.921 1.00 0.00 O ATOM 0 H GLY A 54 -1.091 -10.903 -6.515 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.706 -10.643 -8.087 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.280 -12.175 -7.458 1.00 0.00 H new ATOM 800 N VAL A 55 -4.150 -9.334 -6.020 1.00 0.00 N ATOM 801 CA VAL A 55 -5.273 -8.580 -5.489 1.00 0.00 C ATOM 802 C VAL A 55 -6.293 -8.342 -6.604 1.00 0.00 C ATOM 803 O VAL A 55 -5.971 -8.473 -7.783 1.00 0.00 O ATOM 804 CB VAL A 55 -4.775 -7.282 -4.848 1.00 0.00 C ATOM 805 CG1 VAL A 55 -4.447 -6.234 -5.913 1.00 0.00 C ATOM 806 CG2 VAL A 55 -5.793 -6.743 -3.842 1.00 0.00 C ATOM 0 H VAL A 55 -3.235 -8.925 -5.832 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.775 -9.144 -4.703 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.856 -7.507 -4.307 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -4.096 -5.322 -5.430 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.669 -6.618 -6.574 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.342 -6.015 -6.495 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.415 -5.821 -3.401 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.736 -6.542 -4.351 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.954 -7.481 -3.057 1.00 0.00 H new ATOM 816 N ASP A 56 -7.503 -7.997 -6.191 1.00 0.00 N ATOM 817 CA ASP A 56 -8.574 -7.739 -7.139 1.00 0.00 C ATOM 818 C ASP A 56 -9.238 -6.402 -6.803 1.00 0.00 C ATOM 819 O ASP A 56 -10.437 -6.351 -6.537 1.00 0.00 O ATOM 820 CB ASP A 56 -9.645 -8.830 -7.070 1.00 0.00 C ATOM 821 CG ASP A 56 -9.493 -9.953 -8.098 1.00 0.00 C ATOM 822 OD1 ASP A 56 -8.535 -10.740 -7.940 1.00 0.00 O ATOM 823 OD2 ASP A 56 -10.337 -9.998 -9.019 1.00 0.00 O ATOM 0 H ASP A 56 -7.766 -7.890 -5.211 1.00 0.00 H new ATOM 0 HA ASP A 56 -8.141 -7.721 -8.139 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -9.632 -9.268 -6.072 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -10.623 -8.367 -7.202 1.00 0.00 H new ATOM 828 N ALA A 57 -8.428 -5.354 -6.826 1.00 0.00 N ATOM 829 CA ALA A 57 -8.921 -4.021 -6.528 1.00 0.00 C ATOM 830 C ALA A 57 -9.072 -3.233 -7.831 1.00 0.00 C ATOM 831 O ALA A 57 -8.451 -3.569 -8.838 1.00 0.00 O ATOM 832 CB ALA A 57 -7.976 -3.335 -5.539 1.00 0.00 C ATOM 0 H ALA A 57 -7.433 -5.401 -7.047 1.00 0.00 H new ATOM 0 HA ALA A 57 -9.903 -4.073 -6.058 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -8.347 -2.335 -5.316 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -7.927 -3.917 -4.619 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -6.980 -3.264 -5.977 1.00 0.00 H new ATOM 838 N PRO A 58 -9.921 -2.173 -7.767 1.00 0.00 N ATOM 839 CA PRO A 58 -10.160 -1.335 -8.930 1.00 0.00 C ATOM 840 C PRO A 58 -8.970 -0.410 -9.194 1.00 0.00 C ATOM 841 O PRO A 58 -7.929 -0.534 -8.551 1.00 0.00 O ATOM 842 CB PRO A 58 -11.440 -0.579 -8.613 1.00 0.00 C ATOM 843 CG PRO A 58 -11.617 -0.671 -7.106 1.00 0.00 C ATOM 844 CD PRO A 58 -10.672 -1.745 -6.591 1.00 0.00 C ATOM 0 HA PRO A 58 -10.270 -1.912 -9.848 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -11.370 0.460 -8.935 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -12.291 -1.017 -9.134 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -11.397 0.288 -6.636 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -12.649 -0.919 -6.857 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -10.010 -1.353 -5.819 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -11.221 -2.576 -6.148 1.00 0.00 H new ATOM 852 N VAL A 59 -9.164 0.496 -10.140 1.00 0.00 N ATOM 853 CA VAL A 59 -8.119 1.441 -10.498 1.00 0.00 C ATOM 854 C VAL A 59 -8.761 2.754 -10.952 1.00 0.00 C ATOM 855 O VAL A 59 -8.318 3.833 -10.561 1.00 0.00 O ATOM 856 CB VAL A 59 -7.198 0.828 -11.554 1.00 0.00 C ATOM 857 CG1 VAL A 59 -5.898 1.626 -11.676 1.00 0.00 C ATOM 858 CG2 VAL A 59 -6.912 -0.643 -11.245 1.00 0.00 C ATOM 0 H VAL A 59 -10.030 0.596 -10.670 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.494 1.666 -9.634 1.00 0.00 H new ATOM 0 HB VAL A 59 -7.711 0.874 -12.514 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -5.261 1.170 -12.433 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.127 2.652 -11.964 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -5.380 1.626 -10.717 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.255 -1.055 -12.011 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.429 -0.723 -10.271 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -7.848 -1.201 -11.232 1.00 0.00 H new ATOM 868 N SER A 60 -9.792 2.620 -11.773 1.00 0.00 N ATOM 869 CA SER A 60 -10.497 3.782 -12.286 1.00 0.00 C ATOM 870 C SER A 60 -10.576 4.864 -11.206 1.00 0.00 C ATOM 871 O SER A 60 -10.369 6.043 -11.488 1.00 0.00 O ATOM 872 CB SER A 60 -11.901 3.407 -12.765 1.00 0.00 C ATOM 873 OG SER A 60 -12.633 2.697 -11.770 1.00 0.00 O ATOM 0 H SER A 60 -10.156 1.724 -12.096 1.00 0.00 H new ATOM 0 HA SER A 60 -9.942 4.170 -13.141 1.00 0.00 H new ATOM 0 HB2 SER A 60 -12.444 4.312 -13.038 1.00 0.00 H new ATOM 0 HB3 SER A 60 -11.826 2.796 -13.665 1.00 0.00 H new ATOM 0 HG SER A 60 -13.524 2.477 -12.114 1.00 0.00 H new ATOM 879 N GLU A 61 -10.876 4.423 -9.993 1.00 0.00 N ATOM 880 CA GLU A 61 -10.984 5.339 -8.870 1.00 0.00 C ATOM 881 C GLU A 61 -11.376 4.580 -7.601 1.00 0.00 C ATOM 882 O GLU A 61 -12.491 4.730 -7.103 1.00 0.00 O ATOM 883 CB GLU A 61 -11.985 6.458 -9.170 1.00 0.00 C ATOM 884 CG GLU A 61 -11.349 7.833 -8.954 1.00 0.00 C ATOM 885 CD GLU A 61 -12.397 8.943 -9.061 1.00 0.00 C ATOM 886 OE1 GLU A 61 -13.530 8.701 -8.593 1.00 0.00 O ATOM 887 OE2 GLU A 61 -12.040 10.010 -9.609 1.00 0.00 O ATOM 0 H GLU A 61 -11.048 3.444 -9.763 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.010 5.800 -8.708 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.335 6.372 -10.199 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -12.859 6.352 -8.527 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -10.875 7.869 -7.973 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.565 7.995 -9.693 1.00 0.00 H new ATOM 894 N PHE A 62 -10.438 3.780 -7.115 1.00 0.00 N ATOM 895 CA PHE A 62 -10.672 2.996 -5.914 1.00 0.00 C ATOM 896 C PHE A 62 -10.685 3.889 -4.671 1.00 0.00 C ATOM 897 O PHE A 62 -10.698 5.113 -4.782 1.00 0.00 O ATOM 898 CB PHE A 62 -9.516 2.000 -5.799 1.00 0.00 C ATOM 899 CG PHE A 62 -8.132 2.631 -5.961 1.00 0.00 C ATOM 900 CD1 PHE A 62 -7.722 3.600 -5.099 1.00 0.00 C ATOM 901 CD2 PHE A 62 -7.312 2.223 -6.966 1.00 0.00 C ATOM 902 CE1 PHE A 62 -6.436 4.185 -5.249 1.00 0.00 C ATOM 903 CE2 PHE A 62 -6.027 2.808 -7.116 1.00 0.00 C ATOM 904 CZ PHE A 62 -5.616 3.777 -6.255 1.00 0.00 C ATOM 0 H PHE A 62 -9.515 3.658 -7.531 1.00 0.00 H new ATOM 0 HA PHE A 62 -11.637 2.494 -5.979 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -9.569 1.509 -4.827 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -9.641 1.225 -6.555 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -8.374 3.924 -4.301 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -7.638 1.454 -7.650 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -6.109 4.954 -4.564 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -5.376 2.483 -7.914 1.00 0.00 H new ATOM 0 HZ PHE A 62 -4.639 4.223 -6.370 1.00 0.00 H new ATOM 914 N ASP A 63 -10.683 3.240 -3.516 1.00 0.00 N ATOM 915 CA ASP A 63 -10.695 3.959 -2.254 1.00 0.00 C ATOM 916 C ASP A 63 -9.262 4.335 -1.871 1.00 0.00 C ATOM 917 O ASP A 63 -8.629 3.648 -1.072 1.00 0.00 O ATOM 918 CB ASP A 63 -11.272 3.094 -1.132 1.00 0.00 C ATOM 919 CG ASP A 63 -11.504 3.822 0.193 1.00 0.00 C ATOM 920 OD1 ASP A 63 -10.535 4.444 0.677 1.00 0.00 O ATOM 921 OD2 ASP A 63 -12.648 3.742 0.692 1.00 0.00 O ATOM 0 H ASP A 63 -10.673 2.224 -3.428 1.00 0.00 H new ATOM 0 HA ASP A 63 -11.314 4.847 -2.379 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -12.220 2.674 -1.469 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -10.597 2.257 -0.956 1.00 0.00 H new ATOM 926 N ARG A 64 -8.792 5.424 -2.462 1.00 0.00 N ATOM 927 CA ARG A 64 -7.446 5.898 -2.193 1.00 0.00 C ATOM 928 C ARG A 64 -7.175 5.904 -0.687 1.00 0.00 C ATOM 929 O ARG A 64 -6.076 5.567 -0.250 1.00 0.00 O ATOM 930 CB ARG A 64 -7.239 7.310 -2.746 1.00 0.00 C ATOM 931 CG ARG A 64 -8.427 8.212 -2.407 1.00 0.00 C ATOM 932 CD ARG A 64 -8.029 9.284 -1.390 1.00 0.00 C ATOM 933 NE ARG A 64 -7.075 10.234 -2.004 1.00 0.00 N ATOM 934 CZ ARG A 64 -7.438 11.293 -2.739 1.00 0.00 C ATOM 935 NH1 ARG A 64 -8.736 11.545 -2.957 1.00 0.00 N ATOM 936 NH2 ARG A 64 -6.503 12.102 -3.257 1.00 0.00 N ATOM 0 H ARG A 64 -9.320 5.991 -3.126 1.00 0.00 H new ATOM 0 HA ARG A 64 -6.751 5.219 -2.688 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.325 7.736 -2.332 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.109 7.265 -3.827 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -8.798 8.687 -3.315 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -9.242 7.610 -2.006 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.915 9.817 -1.045 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.578 8.817 -0.515 1.00 0.00 H new ATOM 0 HE ARG A 64 -6.079 10.072 -1.858 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -9.448 10.930 -2.563 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -9.012 12.352 -3.517 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -5.515 11.911 -3.091 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -6.780 12.908 -3.817 1.00 0.00 H new ATOM 950 N LYS A 65 -8.196 6.290 0.063 1.00 0.00 N ATOM 951 CA LYS A 65 -8.082 6.344 1.511 1.00 0.00 C ATOM 952 C LYS A 65 -7.571 4.997 2.028 1.00 0.00 C ATOM 953 O LYS A 65 -6.864 4.942 3.033 1.00 0.00 O ATOM 954 CB LYS A 65 -9.408 6.780 2.137 1.00 0.00 C ATOM 955 CG LYS A 65 -9.553 6.227 3.556 1.00 0.00 C ATOM 956 CD LYS A 65 -10.290 7.218 4.459 1.00 0.00 C ATOM 957 CE LYS A 65 -9.369 7.742 5.563 1.00 0.00 C ATOM 958 NZ LYS A 65 -10.117 7.897 6.832 1.00 0.00 N ATOM 0 H LYS A 65 -9.106 6.568 -0.304 1.00 0.00 H new ATOM 0 HA LYS A 65 -7.353 7.098 1.808 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -9.463 7.868 2.160 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -10.237 6.432 1.521 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -10.096 5.282 3.528 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -8.567 6.016 3.970 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -10.661 8.052 3.863 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -11.159 6.733 4.905 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.536 7.054 5.707 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -8.943 8.700 5.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -9.477 8.253 7.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -10.897 8.571 6.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -10.502 6.976 7.123 1.00 0.00 H new ATOM 972 N GLU A 66 -7.949 3.945 1.317 1.00 0.00 N ATOM 973 CA GLU A 66 -7.538 2.602 1.693 1.00 0.00 C ATOM 974 C GLU A 66 -6.104 2.339 1.233 1.00 0.00 C ATOM 975 O GLU A 66 -5.384 1.553 1.849 1.00 0.00 O ATOM 976 CB GLU A 66 -8.497 1.556 1.123 1.00 0.00 C ATOM 977 CG GLU A 66 -7.968 0.140 1.357 1.00 0.00 C ATOM 978 CD GLU A 66 -9.092 -0.891 1.244 1.00 0.00 C ATOM 979 OE1 GLU A 66 -9.772 -0.877 0.195 1.00 0.00 O ATOM 980 OE2 GLU A 66 -9.245 -1.672 2.208 1.00 0.00 O ATOM 0 H GLU A 66 -8.535 3.995 0.483 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.571 2.523 2.780 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.476 1.663 1.589 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -8.632 1.725 0.055 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.188 -0.086 0.629 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.510 0.078 2.344 1.00 0.00 H new ATOM 987 N TRP A 67 -5.729 3.010 0.154 1.00 0.00 N ATOM 988 CA TRP A 67 -4.392 2.859 -0.396 1.00 0.00 C ATOM 989 C TRP A 67 -3.559 4.064 0.046 1.00 0.00 C ATOM 990 O TRP A 67 -2.512 4.344 -0.533 1.00 0.00 O ATOM 991 CB TRP A 67 -4.440 2.689 -1.916 1.00 0.00 C ATOM 992 CG TRP A 67 -5.496 1.693 -2.399 1.00 0.00 C ATOM 993 CD1 TRP A 67 -6.740 1.952 -2.827 1.00 0.00 C ATOM 994 CD2 TRP A 67 -5.350 0.261 -2.485 1.00 0.00 C ATOM 995 NE1 TRP A 67 -7.402 0.795 -3.182 1.00 0.00 N ATOM 996 CE2 TRP A 67 -6.531 -0.267 -2.967 1.00 0.00 C ATOM 997 CE3 TRP A 67 -4.257 -0.565 -2.167 1.00 0.00 C ATOM 998 CZ2 TRP A 67 -6.732 -1.636 -3.175 1.00 0.00 C ATOM 999 CZ3 TRP A 67 -4.473 -1.931 -2.379 1.00 0.00 C ATOM 1000 CH2 TRP A 67 -5.656 -2.477 -2.863 1.00 0.00 C ATOM 0 H TRP A 67 -6.328 3.660 -0.355 1.00 0.00 H new ATOM 0 HA TRP A 67 -3.920 1.953 -0.017 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -4.634 3.659 -2.374 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -3.461 2.362 -2.266 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -7.169 2.941 -2.886 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -8.356 0.730 -3.537 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -3.324 -0.175 -1.789 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -7.666 -2.023 -3.555 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -3.664 -2.609 -2.151 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -5.745 -3.545 -2.998 1.00 0.00 H new ATOM 1011 N ASP A 68 -4.057 4.743 1.068 1.00 0.00 N ATOM 1012 CA ASP A 68 -3.373 5.912 1.594 1.00 0.00 C ATOM 1013 C ASP A 68 -2.432 5.482 2.721 1.00 0.00 C ATOM 1014 O ASP A 68 -1.313 5.982 2.826 1.00 0.00 O ATOM 1015 CB ASP A 68 -4.368 6.922 2.169 1.00 0.00 C ATOM 1016 CG ASP A 68 -3.825 7.789 3.305 1.00 0.00 C ATOM 1017 OD1 ASP A 68 -2.718 8.340 3.121 1.00 0.00 O ATOM 1018 OD2 ASP A 68 -4.530 7.884 4.334 1.00 0.00 O ATOM 0 H ASP A 68 -4.926 4.506 1.546 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.822 6.376 0.776 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.706 7.574 1.364 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.243 6.382 2.531 1.00 0.00 H new ATOM 1023 N THR A 69 -2.919 4.558 3.536 1.00 0.00 N ATOM 1024 CA THR A 69 -2.137 4.055 4.652 1.00 0.00 C ATOM 1025 C THR A 69 -1.679 2.621 4.379 1.00 0.00 C ATOM 1026 O THR A 69 -2.205 1.958 3.487 1.00 0.00 O ATOM 1027 CB THR A 69 -2.979 4.194 5.921 1.00 0.00 C ATOM 1028 OG1 THR A 69 -4.314 3.959 5.480 1.00 0.00 O ATOM 1029 CG2 THR A 69 -3.010 5.629 6.451 1.00 0.00 C ATOM 0 H THR A 69 -3.847 4.144 3.445 1.00 0.00 H new ATOM 0 HA THR A 69 -1.223 4.634 4.787 1.00 0.00 H new ATOM 0 HB THR A 69 -2.584 3.531 6.691 1.00 0.00 H new ATOM 0 HG1 THR A 69 -4.730 4.810 5.228 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.621 5.671 7.352 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.996 5.952 6.685 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.435 6.288 5.694 1.00 0.00 H new ATOM 1037 N PRO A 70 -0.680 2.173 5.186 1.00 0.00 N ATOM 1038 CA PRO A 70 -0.147 0.830 5.039 1.00 0.00 C ATOM 1039 C PRO A 70 -1.116 -0.210 5.606 1.00 0.00 C ATOM 1040 O PRO A 70 -1.328 -1.261 5.002 1.00 0.00 O ATOM 1041 CB PRO A 70 1.188 0.855 5.767 1.00 0.00 C ATOM 1042 CG PRO A 70 1.140 2.067 6.683 1.00 0.00 C ATOM 1043 CD PRO A 70 -0.034 2.931 6.252 1.00 0.00 C ATOM 0 HA PRO A 70 -0.013 0.543 3.996 1.00 0.00 H new ATOM 0 HB2 PRO A 70 1.338 -0.061 6.339 1.00 0.00 H new ATOM 0 HB3 PRO A 70 2.016 0.931 5.062 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.024 1.756 7.721 1.00 0.00 H new ATOM 0 HG3 PRO A 70 2.071 2.630 6.621 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.719 3.111 7.081 1.00 0.00 H new ATOM 0 HD3 PRO A 70 0.301 3.906 5.898 1.00 0.00 H new ATOM 1051 N ASN A 71 -1.678 0.120 6.759 1.00 0.00 N ATOM 1052 CA ASN A 71 -2.621 -0.773 7.413 1.00 0.00 C ATOM 1053 C ASN A 71 -3.817 -1.011 6.490 1.00 0.00 C ATOM 1054 O ASN A 71 -4.134 -2.154 6.161 1.00 0.00 O ATOM 1055 CB ASN A 71 -3.143 -0.163 8.716 1.00 0.00 C ATOM 1056 CG ASN A 71 -2.681 -0.976 9.926 1.00 0.00 C ATOM 1057 OD1 ASN A 71 -2.752 -2.193 9.953 1.00 0.00 O ATOM 1058 ND2 ASN A 71 -2.204 -0.237 10.924 1.00 0.00 N ATOM 0 H ASN A 71 -1.499 0.992 7.257 1.00 0.00 H new ATOM 0 HA ASN A 71 -2.104 -1.707 7.633 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.790 0.864 8.808 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -4.232 -0.125 8.693 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -1.870 -0.686 11.777 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -2.172 0.779 10.837 1.00 0.00 H new ATOM 1065 N LYS A 72 -4.448 0.085 6.098 1.00 0.00 N ATOM 1066 CA LYS A 72 -5.603 0.010 5.218 1.00 0.00 C ATOM 1067 C LYS A 72 -5.279 -0.907 4.037 1.00 0.00 C ATOM 1068 O LYS A 72 -6.155 -1.611 3.535 1.00 0.00 O ATOM 1069 CB LYS A 72 -6.053 1.412 4.805 1.00 0.00 C ATOM 1070 CG LYS A 72 -7.223 1.889 5.666 1.00 0.00 C ATOM 1071 CD LYS A 72 -7.198 3.411 5.832 1.00 0.00 C ATOM 1072 CE LYS A 72 -8.599 4.003 5.669 1.00 0.00 C ATOM 1073 NZ LYS A 72 -9.561 3.313 6.556 1.00 0.00 N ATOM 0 H LYS A 72 -4.182 1.031 6.373 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.453 -0.430 5.739 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.220 2.108 4.900 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.347 1.409 3.755 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.164 1.585 5.208 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.177 1.412 6.645 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.803 3.667 6.815 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -6.526 3.850 5.095 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -8.579 5.068 5.902 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -8.921 3.910 4.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -10.350 3.953 6.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.927 2.465 6.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -9.083 3.035 7.437 1.00 0.00 H new ATOM 1087 N ILE A 73 -4.021 -0.868 3.626 1.00 0.00 N ATOM 1088 CA ILE A 73 -3.571 -1.686 2.513 1.00 0.00 C ATOM 1089 C ILE A 73 -3.330 -3.115 3.001 1.00 0.00 C ATOM 1090 O ILE A 73 -3.843 -4.069 2.416 1.00 0.00 O ATOM 1091 CB ILE A 73 -2.351 -1.052 1.840 1.00 0.00 C ATOM 1092 CG1 ILE A 73 -2.759 0.145 0.980 1.00 0.00 C ATOM 1093 CG2 ILE A 73 -1.565 -2.091 1.039 1.00 0.00 C ATOM 1094 CD1 ILE A 73 -1.598 0.607 0.098 1.00 0.00 C ATOM 0 H ILE A 73 -3.298 -0.282 4.044 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.340 -1.737 1.743 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.688 -0.677 2.620 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.610 -0.125 0.355 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.082 0.965 1.621 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -0.704 -1.614 0.571 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.224 -2.883 1.706 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.207 -2.518 0.268 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.915 1.459 -0.503 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.757 0.899 0.727 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.294 -0.208 -0.559 1.00 0.00 H new ATOM 1106 N ILE A 74 -2.551 -3.220 4.068 1.00 0.00 N ATOM 1107 CA ILE A 74 -2.238 -4.518 4.640 1.00 0.00 C ATOM 1108 C ILE A 74 -3.529 -5.318 4.817 1.00 0.00 C ATOM 1109 O ILE A 74 -3.502 -6.548 4.845 1.00 0.00 O ATOM 1110 CB ILE A 74 -1.435 -4.353 5.932 1.00 0.00 C ATOM 1111 CG1 ILE A 74 0.069 -4.341 5.647 1.00 0.00 C ATOM 1112 CG2 ILE A 74 -1.816 -5.425 6.955 1.00 0.00 C ATOM 1113 CD1 ILE A 74 0.854 -3.848 6.863 1.00 0.00 C ATOM 0 H ILE A 74 -2.128 -2.428 4.551 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.600 -5.088 3.965 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.687 -3.387 6.369 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.400 -5.344 5.379 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.275 -3.698 4.791 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.231 -5.285 7.864 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.877 -5.343 7.190 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.612 -6.412 6.541 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.920 -3.849 6.633 1.00 0.00 H new ATOM 0 HD12 ILE A 74 0.538 -2.835 7.114 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.665 -4.507 7.710 1.00 0.00 H new ATOM 1125 N ALA A 75 -4.629 -4.589 4.931 1.00 0.00 N ATOM 1126 CA ALA A 75 -5.928 -5.216 5.104 1.00 0.00 C ATOM 1127 C ALA A 75 -6.503 -5.576 3.732 1.00 0.00 C ATOM 1128 O ALA A 75 -7.167 -6.600 3.582 1.00 0.00 O ATOM 1129 CB ALA A 75 -6.846 -4.280 5.893 1.00 0.00 C ATOM 0 H ALA A 75 -4.647 -3.569 4.907 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.835 -6.140 5.675 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.821 -4.750 6.023 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.407 -4.079 6.870 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.965 -3.343 5.349 1.00 0.00 H new ATOM 1135 N LYS A 76 -6.228 -4.712 2.766 1.00 0.00 N ATOM 1136 CA LYS A 76 -6.709 -4.925 1.411 1.00 0.00 C ATOM 1137 C LYS A 76 -5.976 -6.120 0.797 1.00 0.00 C ATOM 1138 O LYS A 76 -6.463 -6.729 -0.154 1.00 0.00 O ATOM 1139 CB LYS A 76 -6.587 -3.640 0.591 1.00 0.00 C ATOM 1140 CG LYS A 76 -7.501 -3.685 -0.636 1.00 0.00 C ATOM 1141 CD LYS A 76 -8.966 -3.834 -0.223 1.00 0.00 C ATOM 1142 CE LYS A 76 -9.901 -3.428 -1.364 1.00 0.00 C ATOM 1143 NZ LYS A 76 -10.329 -4.618 -2.133 1.00 0.00 N ATOM 0 H LYS A 76 -5.678 -3.863 2.895 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.771 -5.171 1.417 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -6.847 -2.782 1.211 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -5.553 -3.503 0.274 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -7.375 -2.774 -1.221 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.214 -4.518 -1.278 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.164 -4.867 0.064 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.165 -3.216 0.653 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.774 -2.915 -0.961 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.394 -2.724 -2.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.963 -4.324 -2.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -9.494 -5.091 -2.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.831 -5.276 -1.503 1.00 0.00 H new ATOM 1157 N VAL A 77 -4.817 -6.417 1.364 1.00 0.00 N ATOM 1158 CA VAL A 77 -4.012 -7.528 0.884 1.00 0.00 C ATOM 1159 C VAL A 77 -4.485 -8.821 1.550 1.00 0.00 C ATOM 1160 O VAL A 77 -4.404 -9.896 0.957 1.00 0.00 O ATOM 1161 CB VAL A 77 -2.528 -7.240 1.122 1.00 0.00 C ATOM 1162 CG1 VAL A 77 -1.649 -8.288 0.436 1.00 0.00 C ATOM 1163 CG2 VAL A 77 -2.162 -5.829 0.660 1.00 0.00 C ATOM 0 H VAL A 77 -4.415 -5.908 2.151 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.137 -7.653 -0.192 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.343 -7.299 2.195 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.599 -8.060 0.621 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.881 -9.275 0.835 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.839 -8.276 -0.637 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.102 -5.651 0.841 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.370 -5.729 -0.405 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.752 -5.100 1.215 1.00 0.00 H new ATOM 1173 N GLU A 78 -4.968 -8.676 2.776 1.00 0.00 N ATOM 1174 CA GLU A 78 -5.454 -9.819 3.529 1.00 0.00 C ATOM 1175 C GLU A 78 -6.890 -10.152 3.120 1.00 0.00 C ATOM 1176 O GLU A 78 -7.324 -11.296 3.245 1.00 0.00 O ATOM 1177 CB GLU A 78 -5.357 -9.564 5.035 1.00 0.00 C ATOM 1178 CG GLU A 78 -3.911 -9.687 5.520 1.00 0.00 C ATOM 1179 CD GLU A 78 -3.541 -11.149 5.776 1.00 0.00 C ATOM 1180 OE1 GLU A 78 -3.929 -11.988 4.935 1.00 0.00 O ATOM 1181 OE2 GLU A 78 -2.877 -11.394 6.807 1.00 0.00 O ATOM 0 H GLU A 78 -5.033 -7.784 3.266 1.00 0.00 H new ATOM 0 HA GLU A 78 -4.823 -10.677 3.298 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.738 -8.569 5.264 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -5.985 -10.277 5.569 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.237 -9.262 4.776 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.780 -9.109 6.435 1.00 0.00 H new ATOM 1188 N GLN A 79 -7.586 -9.133 2.641 1.00 0.00 N ATOM 1189 CA GLN A 79 -8.965 -9.304 2.213 1.00 0.00 C ATOM 1190 C GLN A 79 -9.020 -9.639 0.721 1.00 0.00 C ATOM 1191 O GLN A 79 -10.047 -9.441 0.075 1.00 0.00 O ATOM 1192 CB GLN A 79 -9.794 -8.057 2.526 1.00 0.00 C ATOM 1193 CG GLN A 79 -11.022 -8.413 3.369 1.00 0.00 C ATOM 1194 CD GLN A 79 -12.068 -7.298 3.312 1.00 0.00 C ATOM 1195 OE1 GLN A 79 -12.721 -7.075 2.306 1.00 0.00 O ATOM 1196 NE2 GLN A 79 -12.189 -6.612 4.445 1.00 0.00 N ATOM 0 H GLN A 79 -7.222 -8.186 2.539 1.00 0.00 H new ATOM 0 HA GLN A 79 -9.397 -10.136 2.768 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -9.180 -7.332 3.060 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -10.111 -7.584 1.597 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -11.458 -9.344 3.008 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -10.721 -8.582 4.403 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -11.611 -6.851 5.250 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -12.860 -5.847 4.509 1.00 0.00 H new ATOM 1205 N ALA A 80 -7.901 -10.141 0.218 1.00 0.00 N ATOM 1206 CA ALA A 80 -7.809 -10.505 -1.185 1.00 0.00 C ATOM 1207 C ALA A 80 -7.430 -11.982 -1.300 1.00 0.00 C ATOM 1208 O ALA A 80 -8.008 -12.715 -2.101 1.00 0.00 O ATOM 1209 CB ALA A 80 -6.804 -9.588 -1.886 1.00 0.00 C ATOM 0 H ALA A 80 -7.051 -10.304 0.758 1.00 0.00 H new ATOM 0 HA ALA A 80 -8.771 -10.372 -1.680 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -6.735 -9.861 -2.939 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.135 -8.553 -1.801 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -5.825 -9.696 -1.418 1.00 0.00 H new ATOM 1215 N GLN A 81 -6.458 -12.376 -0.489 1.00 0.00 N ATOM 1216 CA GLN A 81 -5.995 -13.753 -0.490 1.00 0.00 C ATOM 1217 C GLN A 81 -7.185 -14.714 -0.530 1.00 0.00 C ATOM 1218 O GLN A 81 -7.593 -15.247 0.500 1.00 0.00 O ATOM 1219 CB GLN A 81 -5.106 -14.033 0.723 1.00 0.00 C ATOM 1220 CG GLN A 81 -3.801 -13.238 0.642 1.00 0.00 C ATOM 1221 CD GLN A 81 -3.130 -13.424 -0.721 1.00 0.00 C ATOM 1222 OE1 GLN A 81 -2.344 -14.331 -0.936 1.00 0.00 O ATOM 1223 NE2 GLN A 81 -3.483 -12.515 -1.627 1.00 0.00 N ATOM 0 H GLN A 81 -5.979 -11.765 0.173 1.00 0.00 H new ATOM 0 HA GLN A 81 -5.394 -13.913 -1.385 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -5.639 -13.772 1.637 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -4.884 -15.099 0.777 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -4.004 -12.180 0.810 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -3.124 -13.562 1.432 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -4.147 -11.781 -1.381 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -3.089 -12.553 -2.567 1.00 0.00 H new