USER MOD reduce.3.24.130724 H: found=0, std=0, add=406, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 407 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 32 THR OG1 : rot 109:sc= 1.04 USER MOD Set 1.2: A 37 GLN :FLIP amide:sc= 0.0169 F(o=-4.5!,f=1.1) USER MOD Single : A 19 GLN : amide:sc= -1.18 K(o=-1.2,f=-4.7!) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -2.89! C(o=-2.9!,f=-4.8!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -5.52! C(o=-5.5!,f=-6.3!) USER MOD Single : A 53 ASN :FLIP amide:sc= -1.52 F(o=-3.1!,f=-1.5) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= 0.0605 K(o=0.06,f=-1.2) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 18 18.026 2.276 -1.753 1.00 0.00 N ATOM 2 CA CYS A 18 16.874 1.468 -2.150 1.00 0.00 C ATOM 3 C CYS A 18 17.176 0.031 -1.817 1.00 0.00 C ATOM 4 O CYS A 18 18.254 -0.485 -2.146 1.00 0.00 O ATOM 5 CB CYS A 18 16.536 1.539 -3.654 1.00 0.00 C ATOM 6 SG CYS A 18 16.582 3.207 -4.392 1.00 0.00 S ATOM 0 HA CYS A 18 16.014 1.866 -1.611 1.00 0.00 H new ATOM 0 HB2 CYS A 18 17.235 0.902 -4.196 1.00 0.00 H new ATOM 0 HB3 CYS A 18 15.541 1.121 -3.805 1.00 0.00 H new ATOM 11 N GLN A 19 16.233 -0.604 -1.157 1.00 0.00 N ATOM 12 CA GLN A 19 16.353 -1.991 -0.791 1.00 0.00 C ATOM 13 C GLN A 19 15.083 -2.723 -1.213 1.00 0.00 C ATOM 14 O GLN A 19 14.008 -2.560 -0.624 1.00 0.00 O ATOM 15 CB GLN A 19 16.691 -2.106 0.716 1.00 0.00 C ATOM 16 CG GLN A 19 15.962 -1.117 1.637 1.00 0.00 C ATOM 17 CD GLN A 19 14.703 -1.675 2.252 1.00 0.00 C ATOM 18 OE1 GLN A 19 13.613 -1.535 1.702 1.00 0.00 O ATOM 19 NE2 GLN A 19 14.846 -2.299 3.408 1.00 0.00 N ATOM 0 H GLN A 19 15.360 -0.168 -0.860 1.00 0.00 H new ATOM 0 HA GLN A 19 17.178 -2.475 -1.314 1.00 0.00 H new ATOM 0 HB2 GLN A 19 16.460 -3.119 1.045 1.00 0.00 H new ATOM 0 HB3 GLN A 19 17.765 -1.967 0.841 1.00 0.00 H new ATOM 0 HG2 GLN A 19 16.639 -0.810 2.434 1.00 0.00 H new ATOM 0 HG3 GLN A 19 15.712 -0.222 1.068 1.00 0.00 H new ATOM 0 HE21 GLN A 19 15.771 -2.391 3.827 1.00 0.00 H new ATOM 0 HE22 GLN A 19 14.031 -2.689 3.881 1.00 0.00 H new ATOM 28 N LEU A 20 15.247 -3.514 -2.272 1.00 0.00 N ATOM 29 CA LEU A 20 14.169 -4.283 -2.879 1.00 0.00 C ATOM 30 C LEU A 20 14.070 -5.707 -2.320 1.00 0.00 C ATOM 31 O LEU A 20 14.832 -6.615 -2.684 1.00 0.00 O ATOM 32 CB LEU A 20 14.338 -4.286 -4.428 1.00 0.00 C ATOM 33 CG LEU A 20 13.092 -4.598 -5.321 1.00 0.00 C ATOM 34 CD1 LEU A 20 12.880 -6.102 -5.475 1.00 0.00 C ATOM 35 CD2 LEU A 20 11.814 -3.938 -4.800 1.00 0.00 C ATOM 0 H LEU A 20 16.146 -3.638 -2.737 1.00 0.00 H new ATOM 0 HA LEU A 20 13.227 -3.799 -2.623 1.00 0.00 H new ATOM 0 HB2 LEU A 20 14.717 -3.307 -4.721 1.00 0.00 H new ATOM 0 HB3 LEU A 20 15.111 -5.014 -4.674 1.00 0.00 H new ATOM 0 HG LEU A 20 13.307 -4.170 -6.300 1.00 0.00 H new ATOM 0 HD11 LEU A 20 12.006 -6.284 -6.101 1.00 0.00 H new ATOM 0 HD12 LEU A 20 13.759 -6.548 -5.940 1.00 0.00 H new ATOM 0 HD13 LEU A 20 12.723 -6.550 -4.494 1.00 0.00 H new ATOM 0 HD21 LEU A 20 10.981 -4.188 -5.458 1.00 0.00 H new ATOM 0 HD22 LEU A 20 11.602 -4.299 -3.793 1.00 0.00 H new ATOM 0 HD23 LEU A 20 11.946 -2.856 -4.777 1.00 0.00 H new ATOM 47 N PHE A 21 13.121 -5.843 -1.406 1.00 0.00 N ATOM 48 CA PHE A 21 12.766 -7.112 -0.773 1.00 0.00 C ATOM 49 C PHE A 21 11.242 -7.272 -0.908 1.00 0.00 C ATOM 50 O PHE A 21 10.463 -6.631 -0.190 1.00 0.00 O ATOM 51 CB PHE A 21 13.280 -7.187 0.698 1.00 0.00 C ATOM 52 CG PHE A 21 12.606 -6.274 1.707 1.00 0.00 C ATOM 53 CD1 PHE A 21 12.922 -4.925 1.777 1.00 0.00 C ATOM 54 CD2 PHE A 21 11.657 -6.778 2.586 1.00 0.00 C ATOM 55 CE1 PHE A 21 12.305 -4.100 2.700 1.00 0.00 C ATOM 56 CE2 PHE A 21 11.040 -5.958 3.510 1.00 0.00 C ATOM 57 CZ PHE A 21 11.363 -4.618 3.567 1.00 0.00 C ATOM 0 H PHE A 21 12.561 -5.058 -1.074 1.00 0.00 H new ATOM 0 HA PHE A 21 13.256 -7.951 -1.268 1.00 0.00 H new ATOM 0 HB2 PHE A 21 13.171 -8.215 1.044 1.00 0.00 H new ATOM 0 HB3 PHE A 21 14.347 -6.963 0.697 1.00 0.00 H new ATOM 0 HD1 PHE A 21 13.659 -4.514 1.103 1.00 0.00 H new ATOM 0 HD2 PHE A 21 11.398 -7.826 2.547 1.00 0.00 H new ATOM 0 HE1 PHE A 21 12.560 -3.051 2.743 1.00 0.00 H new ATOM 0 HE2 PHE A 21 10.305 -6.366 4.188 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.880 -3.975 4.288 1.00 0.00 H new ATOM 67 N CYS A 22 10.834 -8.087 -1.881 1.00 0.00 N ATOM 68 CA CYS A 22 9.414 -8.285 -2.182 1.00 0.00 C ATOM 69 C CYS A 22 8.806 -9.596 -1.633 1.00 0.00 C ATOM 70 O CYS A 22 8.979 -10.664 -2.237 1.00 0.00 O ATOM 71 CB CYS A 22 9.198 -8.200 -3.695 1.00 0.00 C ATOM 72 SG CYS A 22 9.466 -6.536 -4.383 1.00 0.00 S ATOM 0 H CYS A 22 11.467 -8.622 -2.476 1.00 0.00 H new ATOM 0 HA CYS A 22 8.885 -7.486 -1.662 1.00 0.00 H new ATOM 0 HB2 CYS A 22 9.872 -8.900 -4.189 1.00 0.00 H new ATOM 0 HB3 CYS A 22 8.182 -8.519 -3.926 1.00 0.00 H new ATOM 77 N PRO A 23 8.104 -9.547 -0.445 1.00 0.00 N ATOM 78 CA PRO A 23 7.397 -10.713 0.122 1.00 0.00 C ATOM 79 C PRO A 23 5.977 -10.840 -0.467 1.00 0.00 C ATOM 80 O PRO A 23 5.321 -9.817 -0.700 1.00 0.00 O ATOM 81 CB PRO A 23 7.321 -10.404 1.633 1.00 0.00 C ATOM 82 CG PRO A 23 7.967 -9.062 1.826 1.00 0.00 C ATOM 83 CD PRO A 23 7.999 -8.394 0.476 1.00 0.00 C ATOM 0 HA PRO A 23 7.905 -11.652 -0.098 1.00 0.00 H new ATOM 0 HB2 PRO A 23 6.286 -10.389 1.974 1.00 0.00 H new ATOM 0 HB3 PRO A 23 7.837 -11.170 2.212 1.00 0.00 H new ATOM 0 HG2 PRO A 23 7.404 -8.462 2.541 1.00 0.00 H new ATOM 0 HG3 PRO A 23 8.975 -9.172 2.226 1.00 0.00 H new ATOM 0 HD2 PRO A 23 7.099 -7.807 0.292 1.00 0.00 H new ATOM 0 HD3 PRO A 23 8.847 -7.717 0.378 1.00 0.00 H new ATOM 91 N MET A 24 5.511 -12.073 -0.705 1.00 0.00 N ATOM 92 CA MET A 24 4.169 -12.284 -1.280 1.00 0.00 C ATOM 93 C MET A 24 3.134 -12.673 -0.211 1.00 0.00 C ATOM 94 O MET A 24 2.959 -13.854 0.123 1.00 0.00 O ATOM 95 CB MET A 24 4.205 -13.308 -2.447 1.00 0.00 C ATOM 96 CG MET A 24 4.969 -14.608 -2.171 1.00 0.00 C ATOM 97 SD MET A 24 4.970 -15.728 -3.584 1.00 0.00 S ATOM 98 CE MET A 24 5.931 -17.092 -2.934 1.00 0.00 C ATOM 0 H MET A 24 6.031 -12.929 -0.513 1.00 0.00 H new ATOM 0 HA MET A 24 3.846 -11.329 -1.694 1.00 0.00 H new ATOM 0 HB2 MET A 24 3.179 -13.561 -2.715 1.00 0.00 H new ATOM 0 HB3 MET A 24 4.651 -12.824 -3.316 1.00 0.00 H new ATOM 0 HG2 MET A 24 5.998 -14.370 -1.901 1.00 0.00 H new ATOM 0 HG3 MET A 24 4.523 -15.112 -1.314 1.00 0.00 H new ATOM 0 HE1 MET A 24 6.021 -17.868 -3.694 1.00 0.00 H new ATOM 0 HE2 MET A 24 6.924 -16.738 -2.658 1.00 0.00 H new ATOM 0 HE3 MET A 24 5.434 -17.501 -2.054 1.00 0.00 H new ATOM 108 N ILE A 25 2.470 -11.638 0.334 1.00 0.00 N ATOM 109 CA ILE A 25 1.416 -11.784 1.370 1.00 0.00 C ATOM 110 C ILE A 25 0.460 -10.606 1.200 1.00 0.00 C ATOM 111 O ILE A 25 0.911 -9.463 1.214 1.00 0.00 O ATOM 112 CB ILE A 25 1.969 -11.799 2.855 1.00 0.00 C ATOM 113 CG1 ILE A 25 3.012 -12.907 3.087 1.00 0.00 C ATOM 114 CG2 ILE A 25 0.838 -11.980 3.872 1.00 0.00 C ATOM 115 CD1 ILE A 25 4.446 -12.425 3.007 1.00 0.00 C ATOM 0 H ILE A 25 2.646 -10.668 0.071 1.00 0.00 H new ATOM 0 HA ILE A 25 0.931 -12.749 1.226 1.00 0.00 H new ATOM 0 HB ILE A 25 2.448 -10.830 2.998 1.00 0.00 H new ATOM 0 HG12 ILE A 25 2.843 -13.353 4.067 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.862 -13.695 2.349 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.253 -11.986 4.880 1.00 0.00 H new ATOM 0 HG22 ILE A 25 0.128 -11.159 3.776 1.00 0.00 H new ATOM 0 HG23 ILE A 25 0.328 -12.925 3.684 1.00 0.00 H new ATOM 0 HD11 ILE A 25 5.122 -13.262 3.181 1.00 0.00 H new ATOM 0 HD12 ILE A 25 4.634 -12.006 2.018 1.00 0.00 H new ATOM 0 HD13 ILE A 25 4.615 -11.659 3.764 1.00 0.00 H new ATOM 127 N TYR A 26 -0.856 -10.861 1.108 1.00 0.00 N ATOM 128 CA TYR A 26 -1.811 -9.764 0.899 1.00 0.00 C ATOM 129 C TYR A 26 -2.164 -9.064 2.210 1.00 0.00 C ATOM 130 O TYR A 26 -3.003 -9.506 3.007 1.00 0.00 O ATOM 131 CB TYR A 26 -3.055 -10.278 0.165 1.00 0.00 C ATOM 132 CG TYR A 26 -3.976 -9.201 -0.398 1.00 0.00 C ATOM 133 CD1 TYR A 26 -3.785 -8.692 -1.679 1.00 0.00 C ATOM 134 CD2 TYR A 26 -5.036 -8.703 0.353 1.00 0.00 C ATOM 135 CE1 TYR A 26 -4.620 -7.719 -2.192 1.00 0.00 C ATOM 136 CE2 TYR A 26 -5.876 -7.730 -0.156 1.00 0.00 C ATOM 137 CZ TYR A 26 -5.665 -7.242 -1.427 1.00 0.00 C ATOM 138 OH TYR A 26 -6.498 -6.273 -1.936 1.00 0.00 O ATOM 0 H TYR A 26 -1.273 -11.790 1.173 1.00 0.00 H new ATOM 0 HA TYR A 26 -1.337 -9.011 0.269 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -2.733 -10.921 -0.654 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -3.629 -10.900 0.851 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -2.970 -9.064 -2.282 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -5.205 -9.083 1.350 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -4.456 -7.333 -3.187 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -6.694 -7.354 0.440 1.00 0.00 H new ATOM 0 HH TYR A 26 -7.182 -6.048 -1.272 1.00 0.00 H new ATOM 148 N ALA A 27 -1.445 -7.964 2.388 1.00 0.00 N ATOM 149 CA ALA A 27 -1.569 -7.067 3.536 1.00 0.00 C ATOM 150 C ALA A 27 -1.610 -5.600 3.060 1.00 0.00 C ATOM 151 O ALA A 27 -0.634 -5.147 2.446 1.00 0.00 O ATOM 152 CB ALA A 27 -0.417 -7.284 4.519 1.00 0.00 C ATOM 0 H ALA A 27 -0.737 -7.659 1.719 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.501 -7.292 4.054 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.529 -6.607 5.366 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.431 -8.314 4.874 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.531 -7.086 4.018 1.00 0.00 H new ATOM 158 N PRO A 28 -2.721 -4.817 3.296 1.00 0.00 N ATOM 159 CA PRO A 28 -2.779 -3.394 2.877 1.00 0.00 C ATOM 160 C PRO A 28 -1.813 -2.512 3.683 1.00 0.00 C ATOM 161 O PRO A 28 -1.737 -2.632 4.911 1.00 0.00 O ATOM 162 CB PRO A 28 -4.236 -2.980 3.155 1.00 0.00 C ATOM 163 CG PRO A 28 -4.984 -4.257 3.349 1.00 0.00 C ATOM 164 CD PRO A 28 -3.996 -5.231 3.929 1.00 0.00 C ATOM 0 HA PRO A 28 -2.485 -3.272 1.834 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -4.302 -2.348 4.041 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -4.647 -2.407 2.323 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -5.832 -4.115 4.019 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -5.384 -4.623 2.403 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -3.950 -5.162 5.016 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -4.253 -6.262 3.686 1.00 0.00 H new ATOM 172 N ILE A 29 -1.078 -1.638 2.981 1.00 0.00 N ATOM 173 CA ILE A 29 -0.104 -0.748 3.630 1.00 0.00 C ATOM 174 C ILE A 29 -0.395 0.740 3.323 1.00 0.00 C ATOM 175 O ILE A 29 -0.664 1.103 2.174 1.00 0.00 O ATOM 176 CB ILE A 29 1.369 -1.161 3.237 1.00 0.00 C ATOM 177 CG1 ILE A 29 2.420 -0.447 4.124 1.00 0.00 C ATOM 178 CG2 ILE A 29 1.664 -0.926 1.744 1.00 0.00 C ATOM 179 CD1 ILE A 29 3.632 -1.300 4.465 1.00 0.00 C ATOM 0 H ILE A 29 -1.138 -1.528 1.969 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.204 -0.864 4.709 1.00 0.00 H new ATOM 0 HB ILE A 29 1.446 -2.233 3.419 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.757 0.455 3.613 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.941 -0.129 5.050 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.689 -1.225 1.524 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.976 -1.517 1.140 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.537 0.131 1.510 1.00 0.00 H new ATOM 0 HD11 ILE A 29 4.318 -0.725 5.088 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.310 -2.190 5.005 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.138 -1.597 3.546 1.00 0.00 H new ATOM 191 N CYS A 30 -0.339 1.577 4.381 1.00 0.00 N ATOM 192 CA CYS A 30 -0.584 3.018 4.266 1.00 0.00 C ATOM 193 C CYS A 30 0.732 3.802 4.353 1.00 0.00 C ATOM 194 O CYS A 30 1.590 3.495 5.190 1.00 0.00 O ATOM 195 CB CYS A 30 -1.542 3.454 5.376 1.00 0.00 C ATOM 196 SG CYS A 30 -3.001 4.367 4.788 1.00 0.00 S ATOM 0 H CYS A 30 -0.124 1.269 5.329 1.00 0.00 H new ATOM 0 HA CYS A 30 -1.033 3.229 3.296 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -1.876 2.570 5.920 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -0.998 4.078 6.085 1.00 0.00 H new ATOM 201 N ALA A 31 0.876 4.814 3.474 1.00 0.00 N ATOM 202 CA ALA A 31 2.074 5.657 3.404 1.00 0.00 C ATOM 203 C ALA A 31 1.683 7.087 3.054 1.00 0.00 C ATOM 204 O ALA A 31 0.864 7.304 2.152 1.00 0.00 O ATOM 205 CB ALA A 31 3.062 5.117 2.377 1.00 0.00 C ATOM 0 H ALA A 31 0.159 5.066 2.793 1.00 0.00 H new ATOM 0 HA ALA A 31 2.559 5.646 4.380 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.941 5.760 2.345 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.361 4.107 2.656 1.00 0.00 H new ATOM 0 HB3 ALA A 31 2.591 5.097 1.394 1.00 0.00 H new ATOM 211 N THR A 32 2.287 8.054 3.746 1.00 0.00 N ATOM 212 CA THR A 32 1.974 9.474 3.529 1.00 0.00 C ATOM 213 C THR A 32 3.195 10.285 3.089 1.00 0.00 C ATOM 214 O THR A 32 4.306 10.084 3.591 1.00 0.00 O ATOM 215 CB THR A 32 1.320 10.138 4.788 1.00 0.00 C ATOM 216 OG1 THR A 32 1.025 11.520 4.524 1.00 0.00 O ATOM 217 CG2 THR A 32 2.196 10.053 6.046 1.00 0.00 C ATOM 0 H THR A 32 2.995 7.884 4.461 1.00 0.00 H new ATOM 0 HA THR A 32 1.248 9.489 2.716 1.00 0.00 H new ATOM 0 HB THR A 32 0.407 9.576 4.984 1.00 0.00 H new ATOM 0 HG1 THR A 32 0.055 11.640 4.453 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.683 10.532 6.880 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.384 9.007 6.288 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.144 10.560 5.864 1.00 0.00 H new ATOM 225 N ASP A 33 2.949 11.193 2.146 1.00 0.00 N ATOM 226 CA ASP A 33 3.986 12.106 1.627 1.00 0.00 C ATOM 227 C ASP A 33 3.729 13.549 2.126 1.00 0.00 C ATOM 228 O ASP A 33 4.236 14.522 1.546 1.00 0.00 O ATOM 229 CB ASP A 33 4.012 12.092 0.076 1.00 0.00 C ATOM 230 CG ASP A 33 3.584 10.771 -0.544 1.00 0.00 C ATOM 231 OD1 ASP A 33 2.372 10.478 -0.527 1.00 0.00 O ATOM 232 OD2 ASP A 33 4.458 10.039 -1.046 1.00 0.00 O ATOM 0 H ASP A 33 2.033 11.322 1.717 1.00 0.00 H new ATOM 0 HA ASP A 33 4.952 11.761 1.996 1.00 0.00 H new ATOM 0 HB2 ASP A 33 3.359 12.882 -0.294 1.00 0.00 H new ATOM 0 HB3 ASP A 33 5.021 12.328 -0.261 1.00 0.00 H new ATOM 237 N GLY A 34 2.964 13.671 3.234 1.00 0.00 N ATOM 238 CA GLY A 34 2.581 14.984 3.781 1.00 0.00 C ATOM 239 C GLY A 34 1.172 15.356 3.328 1.00 0.00 C ATOM 240 O GLY A 34 0.405 16.005 4.044 1.00 0.00 O ATOM 0 H GLY A 34 2.603 12.877 3.762 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.626 14.959 4.870 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.289 15.744 3.450 1.00 0.00 H new ATOM 244 N VAL A 35 0.884 14.912 2.102 1.00 0.00 N ATOM 245 CA VAL A 35 -0.386 15.044 1.394 1.00 0.00 C ATOM 246 C VAL A 35 -1.263 13.826 1.723 1.00 0.00 C ATOM 247 O VAL A 35 -0.768 12.885 2.358 1.00 0.00 O ATOM 248 CB VAL A 35 -0.175 15.145 -0.144 1.00 0.00 C ATOM 249 CG1 VAL A 35 0.012 16.594 -0.567 1.00 0.00 C ATOM 250 CG2 VAL A 35 1.006 14.289 -0.622 1.00 0.00 C ATOM 0 H VAL A 35 1.580 14.418 1.543 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.874 15.963 1.719 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.075 14.753 -0.618 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.158 16.642 -1.646 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.873 17.170 -0.294 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.885 17.010 -0.064 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.116 14.391 -1.702 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.920 14.624 -0.131 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.822 13.244 -0.373 1.00 0.00 H new ATOM 260 N SER A 36 -2.560 13.839 1.331 1.00 0.00 N ATOM 261 CA SER A 36 -3.458 12.703 1.618 1.00 0.00 C ATOM 262 C SER A 36 -2.801 11.407 1.115 1.00 0.00 C ATOM 263 O SER A 36 -2.339 11.322 -0.029 1.00 0.00 O ATOM 264 CB SER A 36 -4.823 12.911 0.950 1.00 0.00 C ATOM 265 OG SER A 36 -5.785 11.989 1.439 1.00 0.00 O ATOM 0 H SER A 36 -2.998 14.609 0.825 1.00 0.00 H new ATOM 0 HA SER A 36 -3.622 12.633 2.693 1.00 0.00 H new ATOM 0 HB2 SER A 36 -5.167 13.929 1.132 1.00 0.00 H new ATOM 0 HB3 SER A 36 -4.723 12.796 -0.129 1.00 0.00 H new ATOM 0 HG SER A 36 -6.645 12.147 0.996 1.00 0.00 H new ATOM 271 N GLN A 37 -2.775 10.416 2.012 1.00 0.00 N ATOM 272 CA GLN A 37 -2.082 9.135 1.804 1.00 0.00 C ATOM 273 C GLN A 37 -2.827 8.153 0.906 1.00 0.00 C ATOM 274 O GLN A 37 -4.027 8.289 0.648 1.00 0.00 O ATOM 275 CB GLN A 37 -1.771 8.467 3.161 1.00 0.00 C ATOM 276 CG GLN A 37 -2.722 8.823 4.300 1.00 0.00 C ATOM 277 CD GLN A 37 -2.261 10.016 5.135 1.00 0.00 C ATOM 278 OE1 GLN A 37 -1.712 11.035 4.476 1.00 0.00 O flip ATOM 279 NE2 GLN A 37 -2.426 10.030 6.355 1.00 0.00 N flip ATOM 0 H GLN A 37 -3.241 10.480 2.917 1.00 0.00 H new ATOM 0 HA GLN A 37 -1.160 9.385 1.279 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.783 7.386 3.025 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.758 8.740 3.457 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -3.706 9.040 3.885 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -2.835 7.957 4.952 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -2.851 9.228 6.821 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -2.138 10.843 6.899 1.00 0.00 H new ATOM 288 N ARG A 38 -2.055 7.159 0.449 1.00 0.00 N ATOM 289 CA ARG A 38 -2.528 6.118 -0.453 1.00 0.00 C ATOM 290 C ARG A 38 -2.166 4.725 0.075 1.00 0.00 C ATOM 291 O ARG A 38 -1.201 4.565 0.832 1.00 0.00 O ATOM 292 CB ARG A 38 -1.920 6.331 -1.847 1.00 0.00 C ATOM 293 CG ARG A 38 -2.825 5.874 -2.977 1.00 0.00 C ATOM 294 CD ARG A 38 -2.150 5.981 -4.342 1.00 0.00 C ATOM 295 NE ARG A 38 -2.097 7.369 -4.832 1.00 0.00 N ATOM 296 CZ ARG A 38 -2.035 7.727 -6.126 1.00 0.00 C ATOM 297 NH1 ARG A 38 -2.020 6.814 -7.098 1.00 0.00 N ATOM 298 NH2 ARG A 38 -1.990 9.013 -6.447 1.00 0.00 N ATOM 0 H ARG A 38 -1.072 7.060 0.703 1.00 0.00 H new ATOM 0 HA ARG A 38 -3.614 6.181 -0.517 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -1.694 7.389 -1.978 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.974 5.793 -1.909 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -3.125 4.841 -2.803 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -3.734 6.475 -2.976 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -1.138 5.582 -4.277 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -2.690 5.365 -5.061 1.00 0.00 H new ATOM 0 HE ARG A 38 -2.108 8.115 -4.137 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -2.056 5.821 -6.866 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -1.973 7.108 -8.073 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -2.003 9.722 -5.714 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -1.943 9.293 -7.427 1.00 0.00 H new ATOM 312 N THR A 39 -2.959 3.733 -0.343 1.00 0.00 N ATOM 313 CA THR A 39 -2.758 2.337 0.058 1.00 0.00 C ATOM 314 C THR A 39 -2.244 1.512 -1.127 1.00 0.00 C ATOM 315 O THR A 39 -2.847 1.522 -2.208 1.00 0.00 O ATOM 316 CB THR A 39 -4.064 1.695 0.606 1.00 0.00 C ATOM 317 OG1 THR A 39 -4.985 2.706 1.038 1.00 0.00 O ATOM 318 CG2 THR A 39 -3.769 0.763 1.778 1.00 0.00 C ATOM 0 H THR A 39 -3.754 3.874 -0.966 1.00 0.00 H new ATOM 0 HA THR A 39 -2.018 2.336 0.859 1.00 0.00 H new ATOM 0 HB THR A 39 -4.507 1.120 -0.207 1.00 0.00 H new ATOM 0 HG1 THR A 39 -5.801 2.282 1.378 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.701 0.328 2.141 1.00 0.00 H new ATOM 0 HG22 THR A 39 -3.101 -0.033 1.450 1.00 0.00 H new ATOM 0 HG23 THR A 39 -3.295 1.327 2.581 1.00 0.00 H new ATOM 326 N PHE A 40 -1.121 0.811 -0.908 1.00 0.00 N ATOM 327 CA PHE A 40 -0.498 -0.041 -1.933 1.00 0.00 C ATOM 328 C PHE A 40 -0.976 -1.494 -1.778 1.00 0.00 C ATOM 329 O PHE A 40 -1.499 -1.868 -0.721 1.00 0.00 O ATOM 330 CB PHE A 40 1.049 0.011 -1.828 1.00 0.00 C ATOM 331 CG PHE A 40 1.694 1.369 -2.078 1.00 0.00 C ATOM 332 CD1 PHE A 40 1.507 2.433 -1.198 1.00 0.00 C ATOM 333 CD2 PHE A 40 2.511 1.571 -3.187 1.00 0.00 C ATOM 334 CE1 PHE A 40 2.112 3.655 -1.419 1.00 0.00 C ATOM 335 CE2 PHE A 40 3.119 2.797 -3.410 1.00 0.00 C ATOM 336 CZ PHE A 40 2.919 3.836 -2.524 1.00 0.00 C ATOM 0 H PHE A 40 -0.621 0.818 -0.019 1.00 0.00 H new ATOM 0 HA PHE A 40 -0.795 0.335 -2.912 1.00 0.00 H new ATOM 0 HB2 PHE A 40 1.337 -0.327 -0.832 1.00 0.00 H new ATOM 0 HB3 PHE A 40 1.465 -0.702 -2.539 1.00 0.00 H new ATOM 0 HD1 PHE A 40 0.879 2.300 -0.329 1.00 0.00 H new ATOM 0 HD2 PHE A 40 2.673 0.762 -3.883 1.00 0.00 H new ATOM 0 HE1 PHE A 40 1.954 4.469 -0.727 1.00 0.00 H new ATOM 0 HE2 PHE A 40 3.748 2.939 -4.276 1.00 0.00 H new ATOM 0 HZ PHE A 40 3.394 4.791 -2.695 1.00 0.00 H new ATOM 346 N SER A 41 -0.789 -2.307 -2.834 1.00 0.00 N ATOM 347 CA SER A 41 -1.190 -3.727 -2.827 1.00 0.00 C ATOM 348 C SER A 41 -0.304 -4.566 -1.888 1.00 0.00 C ATOM 349 O SER A 41 -0.745 -5.594 -1.366 1.00 0.00 O ATOM 350 CB SER A 41 -1.132 -4.296 -4.249 1.00 0.00 C ATOM 351 OG SER A 41 -1.824 -5.532 -4.342 1.00 0.00 O ATOM 0 H SER A 41 -0.360 -2.003 -3.708 1.00 0.00 H new ATOM 0 HA SER A 41 -2.213 -3.780 -2.454 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.567 -3.580 -4.947 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.092 -4.437 -4.544 1.00 0.00 H new ATOM 0 HG SER A 41 -1.770 -5.869 -5.261 1.00 0.00 H new ATOM 357 N ASN A 42 0.948 -4.102 -1.688 1.00 0.00 N ATOM 358 CA ASN A 42 1.943 -4.768 -0.820 1.00 0.00 C ATOM 359 C ASN A 42 3.186 -3.867 -0.655 1.00 0.00 C ATOM 360 O ASN A 42 3.398 -2.980 -1.491 1.00 0.00 O ATOM 361 CB ASN A 42 2.387 -6.145 -1.390 1.00 0.00 C ATOM 362 CG ASN A 42 1.953 -7.300 -0.527 1.00 0.00 C ATOM 363 OD1 ASN A 42 2.626 -7.660 0.437 1.00 0.00 O ATOM 364 ND2 ASN A 42 0.826 -7.903 -0.886 1.00 0.00 N ATOM 0 H ASN A 42 1.299 -3.250 -2.126 1.00 0.00 H new ATOM 0 HA ASN A 42 1.467 -4.937 0.146 1.00 0.00 H new ATOM 0 HB2 ASN A 42 1.973 -6.269 -2.391 1.00 0.00 H new ATOM 0 HB3 ASN A 42 3.472 -6.159 -1.490 1.00 0.00 H new ATOM 0 HD21 ASN A 42 0.483 -8.703 -0.353 1.00 0.00 H new ATOM 0 HD22 ASN A 42 0.303 -7.567 -1.694 1.00 0.00 H new ATOM 371 N PRO A 43 4.037 -4.061 0.423 1.00 0.00 N ATOM 372 CA PRO A 43 5.271 -3.253 0.647 1.00 0.00 C ATOM 373 C PRO A 43 6.238 -3.219 -0.559 1.00 0.00 C ATOM 374 O PRO A 43 7.004 -2.268 -0.704 1.00 0.00 O ATOM 375 CB PRO A 43 5.952 -3.938 1.850 1.00 0.00 C ATOM 376 CG PRO A 43 5.257 -5.251 2.016 1.00 0.00 C ATOM 377 CD PRO A 43 3.856 -5.031 1.530 1.00 0.00 C ATOM 0 HA PRO A 43 5.011 -2.207 0.810 1.00 0.00 H new ATOM 0 HB2 PRO A 43 7.017 -4.079 1.668 1.00 0.00 H new ATOM 0 HB3 PRO A 43 5.860 -3.330 2.750 1.00 0.00 H new ATOM 0 HG2 PRO A 43 5.753 -6.032 1.440 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.265 -5.569 3.058 1.00 0.00 H new ATOM 0 HD2 PRO A 43 3.398 -5.958 1.184 1.00 0.00 H new ATOM 0 HD3 PRO A 43 3.214 -4.632 2.315 1.00 0.00 H new ATOM 385 N CYS A 44 6.169 -4.257 -1.422 1.00 0.00 N ATOM 386 CA CYS A 44 7.017 -4.369 -2.631 1.00 0.00 C ATOM 387 C CYS A 44 6.795 -3.187 -3.596 1.00 0.00 C ATOM 388 O CYS A 44 7.758 -2.586 -4.080 1.00 0.00 O ATOM 389 CB CYS A 44 6.724 -5.701 -3.346 1.00 0.00 C ATOM 390 SG CYS A 44 7.606 -5.940 -4.931 1.00 0.00 S ATOM 0 H CYS A 44 5.526 -5.039 -1.301 1.00 0.00 H new ATOM 0 HA CYS A 44 8.060 -4.343 -2.316 1.00 0.00 H new ATOM 0 HB2 CYS A 44 6.984 -6.520 -2.676 1.00 0.00 H new ATOM 0 HB3 CYS A 44 5.652 -5.768 -3.531 1.00 0.00 H new ATOM 395 N ASP A 45 5.512 -2.876 -3.858 1.00 0.00 N ATOM 396 CA ASP A 45 5.110 -1.773 -4.748 1.00 0.00 C ATOM 397 C ASP A 45 5.384 -0.388 -4.135 1.00 0.00 C ATOM 398 O ASP A 45 5.536 0.593 -4.871 1.00 0.00 O ATOM 399 CB ASP A 45 3.623 -1.891 -5.102 1.00 0.00 C ATOM 400 CG ASP A 45 3.350 -2.981 -6.123 1.00 0.00 C ATOM 401 OD1 ASP A 45 3.384 -2.681 -7.336 1.00 0.00 O ATOM 402 OD2 ASP A 45 3.100 -4.133 -5.711 1.00 0.00 O ATOM 0 H ASP A 45 4.724 -3.384 -3.457 1.00 0.00 H new ATOM 0 HA ASP A 45 5.717 -1.860 -5.650 1.00 0.00 H new ATOM 0 HB2 ASP A 45 3.053 -2.096 -4.196 1.00 0.00 H new ATOM 0 HB3 ASP A 45 3.269 -0.936 -5.492 1.00 0.00 H new ATOM 407 N LEU A 46 5.443 -0.320 -2.788 1.00 0.00 N ATOM 408 CA LEU A 46 5.662 0.929 -2.068 1.00 0.00 C ATOM 409 C LEU A 46 7.121 1.408 -2.111 1.00 0.00 C ATOM 410 O LEU A 46 7.392 2.511 -2.581 1.00 0.00 O ATOM 411 CB LEU A 46 5.245 0.685 -0.604 1.00 0.00 C ATOM 412 CG LEU A 46 5.342 1.894 0.323 1.00 0.00 C ATOM 413 CD1 LEU A 46 4.243 1.866 1.358 1.00 0.00 C ATOM 414 CD2 LEU A 46 6.701 1.982 1.016 1.00 0.00 C ATOM 0 H LEU A 46 5.339 -1.133 -2.181 1.00 0.00 H new ATOM 0 HA LEU A 46 5.073 1.712 -2.545 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.216 0.324 -0.594 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.866 -0.113 -0.197 1.00 0.00 H new ATOM 0 HG LEU A 46 5.227 2.779 -0.302 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.332 2.737 2.007 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.274 1.883 0.860 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.329 0.958 1.955 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.723 2.858 1.665 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.864 1.084 1.612 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.487 2.067 0.266 1.00 0.00 H new ATOM 426 N LYS A 47 8.040 0.542 -1.656 1.00 0.00 N ATOM 427 CA LYS A 47 9.477 0.832 -1.599 1.00 0.00 C ATOM 428 C LYS A 47 10.053 1.175 -2.973 1.00 0.00 C ATOM 429 O LYS A 47 10.895 2.069 -3.102 1.00 0.00 O ATOM 430 CB LYS A 47 10.234 -0.367 -1.005 1.00 0.00 C ATOM 431 CG LYS A 47 9.587 -1.046 0.223 1.00 0.00 C ATOM 432 CD LYS A 47 9.542 -0.163 1.486 1.00 0.00 C ATOM 433 CE LYS A 47 10.859 -0.170 2.244 1.00 0.00 C ATOM 434 NZ LYS A 47 10.844 0.771 3.398 1.00 0.00 N ATOM 0 H LYS A 47 7.801 -0.389 -1.314 1.00 0.00 H new ATOM 0 HA LYS A 47 9.605 1.706 -0.960 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.354 -1.117 -1.787 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.234 -0.036 -0.725 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.570 -1.343 -0.035 1.00 0.00 H new ATOM 0 HG3 LYS A 47 10.138 -1.958 0.451 1.00 0.00 H new ATOM 0 HD2 LYS A 47 9.294 0.860 1.202 1.00 0.00 H new ATOM 0 HD3 LYS A 47 8.746 -0.513 2.143 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.066 -1.179 2.602 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.669 0.100 1.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 11.761 0.735 3.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 10.672 1.738 3.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.088 0.498 4.058 1.00 0.00 H new ATOM 448 N VAL A 48 9.578 0.440 -3.984 1.00 0.00 N ATOM 449 CA VAL A 48 9.970 0.632 -5.386 1.00 0.00 C ATOM 450 C VAL A 48 9.584 2.037 -5.885 1.00 0.00 C ATOM 451 O VAL A 48 10.336 2.669 -6.628 1.00 0.00 O ATOM 452 CB VAL A 48 9.331 -0.496 -6.262 1.00 0.00 C ATOM 453 CG1 VAL A 48 7.923 -0.173 -6.772 1.00 0.00 C ATOM 454 CG2 VAL A 48 10.253 -0.894 -7.412 1.00 0.00 C ATOM 0 H VAL A 48 8.903 -0.313 -3.851 1.00 0.00 H new ATOM 0 HA VAL A 48 11.055 0.561 -5.469 1.00 0.00 H new ATOM 0 HB VAL A 48 9.213 -1.349 -5.593 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.553 -1.006 -7.370 1.00 0.00 H new ATOM 0 HG12 VAL A 48 7.257 -0.011 -5.924 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.956 0.728 -7.385 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.781 -1.679 -8.002 1.00 0.00 H new ATOM 0 HG22 VAL A 48 10.440 -0.027 -8.046 1.00 0.00 H new ATOM 0 HG23 VAL A 48 11.198 -1.260 -7.011 1.00 0.00 H new ATOM 464 N TYR A 49 8.427 2.518 -5.405 1.00 0.00 N ATOM 465 CA TYR A 49 7.884 3.834 -5.778 1.00 0.00 C ATOM 466 C TYR A 49 8.738 4.976 -5.219 1.00 0.00 C ATOM 467 O TYR A 49 8.811 6.048 -5.803 1.00 0.00 O ATOM 468 CB TYR A 49 6.443 3.968 -5.266 1.00 0.00 C ATOM 469 CG TYR A 49 5.468 4.537 -6.281 1.00 0.00 C ATOM 470 CD1 TYR A 49 5.249 5.909 -6.371 1.00 0.00 C ATOM 471 CD2 TYR A 49 4.763 3.703 -7.142 1.00 0.00 C ATOM 472 CE1 TYR A 49 4.357 6.430 -7.290 1.00 0.00 C ATOM 473 CE2 TYR A 49 3.872 4.218 -8.064 1.00 0.00 C ATOM 474 CZ TYR A 49 3.671 5.581 -8.134 1.00 0.00 C ATOM 475 OH TYR A 49 2.785 6.097 -9.050 1.00 0.00 O ATOM 0 H TYR A 49 7.841 2.005 -4.747 1.00 0.00 H new ATOM 0 HA TYR A 49 7.898 3.904 -6.866 1.00 0.00 H new ATOM 0 HB2 TYR A 49 6.089 2.986 -4.951 1.00 0.00 H new ATOM 0 HB3 TYR A 49 6.442 4.606 -4.382 1.00 0.00 H new ATOM 0 HD1 TYR A 49 5.784 6.577 -5.712 1.00 0.00 H new ATOM 0 HD2 TYR A 49 4.914 2.635 -7.089 1.00 0.00 H new ATOM 0 HE1 TYR A 49 4.198 7.497 -7.347 1.00 0.00 H new ATOM 0 HE2 TYR A 49 3.335 3.556 -8.727 1.00 0.00 H new ATOM 0 HH TYR A 49 2.387 5.366 -9.567 1.00 0.00 H new ATOM 485 N ASN A 50 9.377 4.714 -4.076 1.00 0.00 N ATOM 486 CA ASN A 50 10.248 5.679 -3.386 1.00 0.00 C ATOM 487 C ASN A 50 11.603 5.857 -4.091 1.00 0.00 C ATOM 488 O ASN A 50 12.191 6.942 -4.058 1.00 0.00 O ATOM 489 CB ASN A 50 10.498 5.234 -1.926 1.00 0.00 C ATOM 490 CG ASN A 50 9.346 4.480 -1.259 1.00 0.00 C ATOM 491 OD1 ASN A 50 9.573 3.644 -0.385 1.00 0.00 O ATOM 492 ND2 ASN A 50 8.113 4.771 -1.654 1.00 0.00 N ATOM 0 H ASN A 50 9.306 3.817 -3.595 1.00 0.00 H new ATOM 0 HA ASN A 50 9.727 6.636 -3.405 1.00 0.00 H new ATOM 0 HB2 ASN A 50 11.384 4.600 -1.905 1.00 0.00 H new ATOM 0 HB3 ASN A 50 10.724 6.118 -1.329 1.00 0.00 H new ATOM 0 HD21 ASN A 50 7.316 4.296 -1.230 1.00 0.00 H new ATOM 0 HD22 ASN A 50 7.962 5.470 -2.382 1.00 0.00 H new ATOM 499 N CYS A 51 12.075 4.770 -4.723 1.00 0.00 N ATOM 500 CA CYS A 51 13.372 4.726 -5.414 1.00 0.00 C ATOM 501 C CYS A 51 13.383 5.456 -6.770 1.00 0.00 C ATOM 502 O CYS A 51 14.249 6.307 -6.998 1.00 0.00 O ATOM 503 CB CYS A 51 13.781 3.263 -5.605 1.00 0.00 C ATOM 504 SG CYS A 51 15.519 3.015 -6.113 1.00 0.00 S ATOM 0 H CYS A 51 11.562 3.890 -4.768 1.00 0.00 H new ATOM 0 HA CYS A 51 14.087 5.257 -4.785 1.00 0.00 H new ATOM 0 HB2 CYS A 51 13.610 2.727 -4.671 1.00 0.00 H new ATOM 0 HB3 CYS A 51 13.130 2.813 -6.355 1.00 0.00 H new ATOM 509 N TRP A 52 12.432 5.122 -7.664 1.00 0.00 N ATOM 510 CA TRP A 52 12.387 5.737 -9.007 1.00 0.00 C ATOM 511 C TRP A 52 11.572 7.046 -9.103 1.00 0.00 C ATOM 512 O TRP A 52 11.610 7.728 -10.135 1.00 0.00 O ATOM 513 CB TRP A 52 11.992 4.703 -10.071 1.00 0.00 C ATOM 514 CG TRP A 52 10.625 4.077 -10.002 1.00 0.00 C ATOM 515 CD1 TRP A 52 10.297 2.876 -9.449 1.00 0.00 C ATOM 516 CD2 TRP A 52 9.429 4.593 -10.582 1.00 0.00 C ATOM 517 NE1 TRP A 52 8.957 2.624 -9.627 1.00 0.00 N ATOM 518 CE2 TRP A 52 8.402 3.668 -10.323 1.00 0.00 C ATOM 519 CE3 TRP A 52 9.131 5.763 -11.280 1.00 0.00 C ATOM 520 CZ2 TRP A 52 7.092 3.877 -10.751 1.00 0.00 C ATOM 521 CZ3 TRP A 52 7.833 5.972 -11.701 1.00 0.00 C ATOM 522 CH2 TRP A 52 6.827 5.032 -11.437 1.00 0.00 C ATOM 0 H TRP A 52 11.694 4.440 -7.486 1.00 0.00 H new ATOM 0 HA TRP A 52 13.406 6.064 -9.214 1.00 0.00 H new ATOM 0 HB2 TRP A 52 12.087 5.180 -11.046 1.00 0.00 H new ATOM 0 HB3 TRP A 52 12.726 3.898 -10.037 1.00 0.00 H new ATOM 0 HD1 TRP A 52 10.989 2.218 -8.944 1.00 0.00 H new ATOM 0 HE1 TRP A 52 8.458 1.798 -9.296 1.00 0.00 H new ATOM 0 HE3 TRP A 52 9.901 6.492 -11.487 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 6.315 3.155 -10.549 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 7.589 6.874 -12.242 1.00 0.00 H new ATOM 0 HH2 TRP A 52 5.822 5.223 -11.782 1.00 0.00 H new ATOM 533 N ASN A 53 10.845 7.366 -8.036 1.00 0.00 N ATOM 534 CA ASN A 53 10.067 8.610 -7.942 1.00 0.00 C ATOM 535 C ASN A 53 10.778 9.609 -6.990 1.00 0.00 C ATOM 536 O ASN A 53 10.506 9.613 -5.780 1.00 0.00 O ATOM 537 CB ASN A 53 8.638 8.340 -7.440 1.00 0.00 C ATOM 538 CG ASN A 53 7.819 7.463 -8.370 1.00 0.00 C ATOM 539 OD1 ASN A 53 8.261 6.225 -8.550 1.00 0.00 O flip ATOM 540 ND2 ASN A 53 6.806 7.894 -8.921 1.00 0.00 N flip ATOM 0 H ASN A 53 10.775 6.774 -7.209 1.00 0.00 H new ATOM 0 HA ASN A 53 10.000 9.041 -8.941 1.00 0.00 H new ATOM 0 HB2 ASN A 53 8.690 7.865 -6.460 1.00 0.00 H new ATOM 0 HB3 ASN A 53 8.124 9.292 -7.306 1.00 0.00 H new ATOM 0 HD21 ASN A 53 6.503 8.853 -8.753 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.270 7.292 -9.545 1.00 0.00 H new ATOM 547 N PRO A 54 11.730 10.459 -7.507 1.00 0.00 N ATOM 548 CA PRO A 54 12.460 11.455 -6.674 1.00 0.00 C ATOM 549 C PRO A 54 11.574 12.624 -6.188 1.00 0.00 C ATOM 550 O PRO A 54 11.731 13.105 -5.061 1.00 0.00 O ATOM 551 CB PRO A 54 13.549 11.971 -7.632 1.00 0.00 C ATOM 552 CG PRO A 54 12.954 11.799 -8.988 1.00 0.00 C ATOM 553 CD PRO A 54 12.203 10.502 -8.918 1.00 0.00 C ATOM 0 HA PRO A 54 12.837 11.007 -5.755 1.00 0.00 H new ATOM 0 HB2 PRO A 54 13.792 13.015 -7.433 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.473 11.403 -7.528 1.00 0.00 H new ATOM 0 HG2 PRO A 54 12.290 12.627 -9.236 1.00 0.00 H new ATOM 0 HG3 PRO A 54 13.726 11.768 -9.757 1.00 0.00 H new ATOM 0 HD2 PRO A 54 11.371 10.480 -9.622 1.00 0.00 H new ATOM 0 HD3 PRO A 54 12.844 9.652 -9.154 1.00 0.00 H new ATOM 561 N ASP A 55 10.650 13.058 -7.066 1.00 0.00 N ATOM 562 CA ASP A 55 9.726 14.174 -6.781 1.00 0.00 C ATOM 563 C ASP A 55 8.538 13.774 -5.887 1.00 0.00 C ATOM 564 O ASP A 55 8.042 14.612 -5.125 1.00 0.00 O ATOM 565 CB ASP A 55 9.198 14.768 -8.093 1.00 0.00 C ATOM 566 CG ASP A 55 10.230 15.621 -8.808 1.00 0.00 C ATOM 567 OD1 ASP A 55 11.000 15.066 -9.621 1.00 0.00 O ATOM 568 OD2 ASP A 55 10.269 16.843 -8.553 1.00 0.00 O ATOM 0 H ASP A 55 10.523 12.647 -7.991 1.00 0.00 H new ATOM 0 HA ASP A 55 10.304 14.915 -6.229 1.00 0.00 H new ATOM 0 HB2 ASP A 55 8.882 13.959 -8.752 1.00 0.00 H new ATOM 0 HB3 ASP A 55 8.315 15.372 -7.884 1.00 0.00 H new ATOM 573 N ASN A 56 8.088 12.505 -5.975 1.00 0.00 N ATOM 574 CA ASN A 56 6.946 12.031 -5.175 1.00 0.00 C ATOM 575 C ASN A 56 7.274 10.726 -4.391 1.00 0.00 C ATOM 576 O ASN A 56 6.724 9.660 -4.703 1.00 0.00 O ATOM 577 CB ASN A 56 5.714 11.838 -6.084 1.00 0.00 C ATOM 578 CG ASN A 56 4.405 12.136 -5.373 1.00 0.00 C ATOM 579 OD1 ASN A 56 3.922 13.268 -5.387 1.00 0.00 O ATOM 580 ND2 ASN A 56 3.823 11.118 -4.748 1.00 0.00 N ATOM 0 H ASN A 56 8.496 11.798 -6.587 1.00 0.00 H new ATOM 0 HA ASN A 56 6.723 12.793 -4.428 1.00 0.00 H new ATOM 0 HB2 ASN A 56 5.805 12.487 -6.955 1.00 0.00 H new ATOM 0 HB3 ASN A 56 5.697 10.812 -6.452 1.00 0.00 H new ATOM 0 HD21 ASN A 56 2.941 11.259 -4.255 1.00 0.00 H new ATOM 0 HD22 ASN A 56 4.258 10.195 -4.761 1.00 0.00 H new ATOM 587 N PRO A 57 8.194 10.774 -3.364 1.00 0.00 N ATOM 588 CA PRO A 57 8.544 9.593 -2.537 1.00 0.00 C ATOM 589 C PRO A 57 7.535 9.348 -1.400 1.00 0.00 C ATOM 590 O PRO A 57 7.071 10.309 -0.774 1.00 0.00 O ATOM 591 CB PRO A 57 9.929 9.955 -1.954 1.00 0.00 C ATOM 592 CG PRO A 57 10.292 11.293 -2.530 1.00 0.00 C ATOM 593 CD PRO A 57 8.999 11.940 -2.942 1.00 0.00 C ATOM 0 HA PRO A 57 8.539 8.675 -3.125 1.00 0.00 H new ATOM 0 HB2 PRO A 57 9.894 9.997 -0.865 1.00 0.00 H new ATOM 0 HB3 PRO A 57 10.672 9.203 -2.220 1.00 0.00 H new ATOM 0 HG2 PRO A 57 10.815 11.904 -1.794 1.00 0.00 H new ATOM 0 HG3 PRO A 57 10.960 11.180 -3.384 1.00 0.00 H new ATOM 0 HD2 PRO A 57 8.533 12.481 -2.119 1.00 0.00 H new ATOM 0 HD3 PRO A 57 9.140 12.654 -3.754 1.00 0.00 H new ATOM 601 N TYR A 58 7.211 8.068 -1.134 1.00 0.00 N ATOM 602 CA TYR A 58 6.257 7.711 -0.073 1.00 0.00 C ATOM 603 C TYR A 58 6.972 7.288 1.206 1.00 0.00 C ATOM 604 O TYR A 58 8.019 6.631 1.156 1.00 0.00 O ATOM 605 CB TYR A 58 5.323 6.577 -0.518 1.00 0.00 C ATOM 606 CG TYR A 58 4.187 7.008 -1.426 1.00 0.00 C ATOM 607 CD1 TYR A 58 4.340 7.040 -2.809 1.00 0.00 C ATOM 608 CD2 TYR A 58 2.953 7.370 -0.895 1.00 0.00 C ATOM 609 CE1 TYR A 58 3.299 7.424 -3.632 1.00 0.00 C ATOM 610 CE2 TYR A 58 1.909 7.752 -1.712 1.00 0.00 C ATOM 611 CZ TYR A 58 2.086 7.778 -3.080 1.00 0.00 C ATOM 612 OH TYR A 58 1.047 8.159 -3.898 1.00 0.00 O ATOM 0 H TYR A 58 7.595 7.269 -1.638 1.00 0.00 H new ATOM 0 HA TYR A 58 5.668 8.606 0.127 1.00 0.00 H new ATOM 0 HB2 TYR A 58 5.914 5.820 -1.033 1.00 0.00 H new ATOM 0 HB3 TYR A 58 4.901 6.104 0.369 1.00 0.00 H new ATOM 0 HD1 TYR A 58 5.287 6.760 -3.246 1.00 0.00 H new ATOM 0 HD2 TYR A 58 2.810 7.352 0.175 1.00 0.00 H new ATOM 0 HE1 TYR A 58 3.435 7.447 -4.703 1.00 0.00 H new ATOM 0 HE2 TYR A 58 0.958 8.029 -1.283 1.00 0.00 H new ATOM 0 HH TYR A 58 0.263 8.375 -3.352 1.00 0.00 H new ATOM 622 N LYS A 59 6.386 7.672 2.344 1.00 0.00 N ATOM 623 CA LYS A 59 6.922 7.334 3.657 1.00 0.00 C ATOM 624 C LYS A 59 5.925 6.450 4.406 1.00 0.00 C ATOM 625 O LYS A 59 4.733 6.765 4.467 1.00 0.00 O ATOM 626 CB LYS A 59 7.251 8.604 4.447 1.00 0.00 C ATOM 627 CG LYS A 59 8.611 9.199 4.107 1.00 0.00 C ATOM 628 CD LYS A 59 8.921 10.419 4.966 1.00 0.00 C ATOM 629 CE LYS A 59 10.372 10.873 4.822 1.00 0.00 C ATOM 630 NZ LYS A 59 10.632 11.553 3.518 1.00 0.00 N ATOM 0 H LYS A 59 5.529 8.224 2.376 1.00 0.00 H new ATOM 0 HA LYS A 59 7.851 6.777 3.536 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.480 9.350 4.257 1.00 0.00 H new ATOM 0 HB3 LYS A 59 7.219 8.377 5.513 1.00 0.00 H new ATOM 0 HG2 LYS A 59 9.385 8.445 4.252 1.00 0.00 H new ATOM 0 HG3 LYS A 59 8.633 9.480 3.054 1.00 0.00 H new ATOM 0 HD2 LYS A 59 8.257 11.237 4.686 1.00 0.00 H new ATOM 0 HD3 LYS A 59 8.717 10.187 6.011 1.00 0.00 H new ATOM 0 HE2 LYS A 59 10.619 11.552 5.638 1.00 0.00 H new ATOM 0 HE3 LYS A 59 11.030 10.009 4.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 11.630 11.841 3.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 10.423 10.898 2.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 10.025 12.393 3.437 1.00 0.00 H new ATOM 644 N GLU A 60 6.434 5.348 4.981 1.00 0.00 N ATOM 645 CA GLU A 60 5.610 4.351 5.691 1.00 0.00 C ATOM 646 C GLU A 60 5.133 4.817 7.080 1.00 0.00 C ATOM 647 O GLU A 60 5.938 5.086 7.980 1.00 0.00 O ATOM 648 CB GLU A 60 6.398 3.038 5.816 1.00 0.00 C ATOM 649 CG GLU A 60 5.582 1.794 5.497 1.00 0.00 C ATOM 650 CD GLU A 60 6.385 0.518 5.655 1.00 0.00 C ATOM 651 OE1 GLU A 60 6.421 -0.024 6.779 1.00 0.00 O ATOM 652 OE2 GLU A 60 6.980 0.061 4.656 1.00 0.00 O ATOM 0 H GLU A 60 7.428 5.122 4.968 1.00 0.00 H new ATOM 0 HA GLU A 60 4.708 4.205 5.097 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.258 3.077 5.147 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.787 2.955 6.831 1.00 0.00 H new ATOM 0 HG2 GLU A 60 4.712 1.756 6.153 1.00 0.00 H new ATOM 0 HG3 GLU A 60 5.208 1.860 4.475 1.00 0.00 H new ATOM 659 N VAL A 61 3.798 4.911 7.215 1.00 0.00 N ATOM 660 CA VAL A 61 3.133 5.297 8.476 1.00 0.00 C ATOM 661 C VAL A 61 2.765 4.057 9.302 1.00 0.00 C ATOM 662 O VAL A 61 3.015 4.015 10.510 1.00 0.00 O ATOM 663 CB VAL A 61 1.824 6.131 8.251 1.00 0.00 C ATOM 664 CG1 VAL A 61 1.809 7.380 9.119 1.00 0.00 C ATOM 665 CG2 VAL A 61 1.616 6.512 6.789 1.00 0.00 C ATOM 0 H VAL A 61 3.147 4.721 6.453 1.00 0.00 H new ATOM 0 HA VAL A 61 3.854 5.918 9.007 1.00 0.00 H new ATOM 0 HB VAL A 61 0.998 5.484 8.545 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.889 7.936 8.940 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.861 7.094 10.169 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.666 8.006 8.870 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.696 7.088 6.690 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.458 7.113 6.446 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.545 5.608 6.184 1.00 0.00 H new ATOM 675 N LYS A 62 2.169 3.048 8.626 1.00 0.00 N ATOM 676 CA LYS A 62 1.726 1.784 9.261 1.00 0.00 C ATOM 677 C LYS A 62 1.195 0.815 8.200 1.00 0.00 C ATOM 678 O LYS A 62 0.977 1.212 7.048 1.00 0.00 O ATOM 679 CB LYS A 62 0.586 2.060 10.262 1.00 0.00 C ATOM 680 CG LYS A 62 0.603 1.161 11.500 1.00 0.00 C ATOM 681 CD LYS A 62 -0.580 1.446 12.428 1.00 0.00 C ATOM 682 CE LYS A 62 -1.652 0.359 12.348 1.00 0.00 C ATOM 683 NZ LYS A 62 -1.250 -0.887 13.065 1.00 0.00 N ATOM 0 H LYS A 62 1.981 3.087 7.624 1.00 0.00 H new ATOM 0 HA LYS A 62 2.583 1.349 9.775 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.643 3.100 10.582 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.369 1.936 9.751 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.578 0.116 11.190 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.536 1.310 12.044 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.223 1.527 13.455 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.021 2.408 12.167 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -2.582 0.737 12.774 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.852 0.125 11.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -2.008 -1.595 12.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -0.377 -1.264 12.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.084 -0.672 14.069 1.00 0.00 H new ATOM 697 N VAL A 63 0.982 -0.463 8.589 1.00 0.00 N ATOM 698 CA VAL A 63 0.404 -1.437 7.663 1.00 0.00 C ATOM 699 C VAL A 63 -1.071 -1.611 8.044 1.00 0.00 C ATOM 700 O VAL A 63 -1.419 -2.319 9.000 1.00 0.00 O ATOM 701 CB VAL A 63 1.158 -2.808 7.678 1.00 0.00 C ATOM 702 CG1 VAL A 63 0.762 -3.687 6.490 1.00 0.00 C ATOM 703 CG2 VAL A 63 2.666 -2.595 7.673 1.00 0.00 C ATOM 0 H VAL A 63 1.199 -0.828 9.516 1.00 0.00 H new ATOM 0 HA VAL A 63 0.501 -1.066 6.643 1.00 0.00 H new ATOM 0 HB VAL A 63 0.868 -3.321 8.595 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.307 -4.630 6.537 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.309 -3.885 6.525 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.005 -3.173 5.560 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.170 -3.561 7.684 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.953 -2.046 6.776 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.956 -2.025 8.556 1.00 0.00 H new ATOM 713 N GLY A 64 -1.907 -0.922 7.276 1.00 0.00 N ATOM 714 CA GLY A 64 -3.348 -0.930 7.480 1.00 0.00 C ATOM 715 C GLY A 64 -4.050 0.042 6.550 1.00 0.00 C ATOM 716 O GLY A 64 -3.489 0.445 5.523 1.00 0.00 O ATOM 0 H GLY A 64 -1.603 -0.342 6.494 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.734 -1.936 7.314 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.571 -0.670 8.515 1.00 0.00 H new ATOM 720 N GLU A 65 -5.284 0.407 6.916 1.00 0.00 N ATOM 721 CA GLU A 65 -6.061 1.398 6.168 1.00 0.00 C ATOM 722 C GLU A 65 -6.177 2.667 7.008 1.00 0.00 C ATOM 723 O GLU A 65 -6.917 2.711 8.002 1.00 0.00 O ATOM 724 CB GLU A 65 -7.446 0.864 5.779 1.00 0.00 C ATOM 725 CG GLU A 65 -7.432 -0.017 4.536 1.00 0.00 C ATOM 726 CD GLU A 65 -7.290 -1.496 4.860 1.00 0.00 C ATOM 727 OE1 GLU A 65 -6.197 -1.909 5.304 1.00 0.00 O ATOM 728 OE2 GLU A 65 -8.276 -2.239 4.672 1.00 0.00 O ATOM 0 H GLU A 65 -5.767 0.028 7.730 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.543 1.621 5.235 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -7.854 0.294 6.614 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -8.117 1.706 5.610 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -8.353 0.140 3.975 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.609 0.289 3.889 1.00 0.00 H new ATOM 735 N CYS A 66 -5.414 3.687 6.606 1.00 0.00 N ATOM 736 CA CYS A 66 -5.374 4.962 7.321 1.00 0.00 C ATOM 737 C CYS A 66 -6.174 6.065 6.619 1.00 0.00 C ATOM 738 O CYS A 66 -6.348 6.043 5.395 1.00 0.00 O ATOM 739 CB CYS A 66 -3.912 5.393 7.515 1.00 0.00 C ATOM 740 SG CYS A 66 -3.066 5.985 6.007 1.00 0.00 S ATOM 0 H CYS A 66 -4.812 3.652 5.783 1.00 0.00 H new ATOM 0 HA CYS A 66 -5.849 4.811 8.290 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -3.880 6.184 8.264 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -3.352 4.549 7.918 1.00 0.00 H new ATOM 745 N ASP A 67 -6.649 7.024 7.427 1.00 0.00 N ATOM 746 CA ASP A 67 -7.426 8.173 6.943 1.00 0.00 C ATOM 747 C ASP A 67 -6.598 9.472 7.048 1.00 0.00 C ATOM 748 O ASP A 67 -5.486 9.463 7.589 1.00 0.00 O ATOM 749 CB ASP A 67 -8.773 8.286 7.710 1.00 0.00 C ATOM 750 CG ASP A 67 -8.643 8.237 9.230 1.00 0.00 C ATOM 751 OD1 ASP A 67 -8.378 9.296 9.837 1.00 0.00 O ATOM 752 OD2 ASP A 67 -8.803 7.139 9.804 1.00 0.00 O ATOM 0 H ASP A 67 -6.504 7.024 8.437 1.00 0.00 H new ATOM 0 HA ASP A 67 -7.661 8.017 5.890 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -9.259 9.221 7.430 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -9.429 7.477 7.388 1.00 0.00 H new ATOM 757 N ASP A 68 -7.153 10.589 6.529 1.00 0.00 N ATOM 758 CA ASP A 68 -6.478 11.910 6.543 1.00 0.00 C ATOM 759 C ASP A 68 -6.429 12.565 7.950 1.00 0.00 C ATOM 760 O ASP A 68 -5.772 13.599 8.133 1.00 0.00 O ATOM 761 CB ASP A 68 -7.142 12.865 5.518 1.00 0.00 C ATOM 762 CG ASP A 68 -8.655 13.006 5.680 1.00 0.00 C ATOM 763 OD1 ASP A 68 -9.394 12.217 5.055 1.00 0.00 O ATOM 764 OD2 ASP A 68 -9.090 13.905 6.429 1.00 0.00 O ATOM 0 H ASP A 68 -8.074 10.603 6.091 1.00 0.00 H new ATOM 0 HA ASP A 68 -5.442 11.731 6.256 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -6.685 13.851 5.608 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.928 12.505 4.512 1.00 0.00 H new ATOM 769 N ALA A 69 -7.110 11.945 8.930 1.00 0.00 N ATOM 770 CA ALA A 69 -7.153 12.448 10.310 1.00 0.00 C ATOM 771 C ALA A 69 -6.090 11.779 11.212 1.00 0.00 C ATOM 772 O ALA A 69 -6.133 11.912 12.445 1.00 0.00 O ATOM 773 CB ALA A 69 -8.556 12.254 10.880 1.00 0.00 C ATOM 0 H ALA A 69 -7.642 11.087 8.787 1.00 0.00 H new ATOM 0 HA ALA A 69 -6.915 13.511 10.289 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -8.588 12.627 11.904 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.275 12.802 10.271 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.808 11.194 10.872 1.00 0.00 H new ATOM 779 N ASN A 70 -5.125 11.085 10.582 1.00 0.00 N ATOM 780 CA ASN A 70 -4.050 10.391 11.293 1.00 0.00 C ATOM 781 C ASN A 70 -2.758 11.212 11.285 1.00 0.00 C ATOM 782 O ASN A 70 -2.510 11.996 10.362 1.00 0.00 O ATOM 783 CB ASN A 70 -3.801 9.012 10.668 1.00 0.00 C ATOM 784 CG ASN A 70 -4.827 7.981 11.098 1.00 0.00 C ATOM 785 OD1 ASN A 70 -5.857 7.803 10.449 1.00 0.00 O ATOM 786 ND2 ASN A 70 -4.551 7.296 12.202 1.00 0.00 N ATOM 0 H ASN A 70 -5.073 10.993 9.567 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.364 10.262 12.329 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -3.815 9.102 9.582 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -2.805 8.666 10.946 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.205 6.591 12.542 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -3.685 7.475 12.710 1.00 0.00 H new ATOM 793 N LYS A 71 -1.945 11.008 12.330 1.00 0.00 N ATOM 794 CA LYS A 71 -0.658 11.708 12.500 1.00 0.00 C ATOM 795 C LYS A 71 0.507 10.950 11.802 1.00 0.00 C ATOM 796 O LYS A 71 0.402 9.732 11.613 1.00 0.00 O ATOM 797 CB LYS A 71 -0.349 11.929 14.006 1.00 0.00 C ATOM 798 CG LYS A 71 -0.427 10.679 14.893 1.00 0.00 C ATOM 799 CD LYS A 71 -0.059 10.989 16.335 1.00 0.00 C ATOM 800 CE LYS A 71 -0.112 9.741 17.202 1.00 0.00 C ATOM 801 NZ LYS A 71 0.264 10.029 18.613 1.00 0.00 N ATOM 0 H LYS A 71 -2.158 10.354 13.083 1.00 0.00 H new ATOM 0 HA LYS A 71 -0.748 12.682 12.018 1.00 0.00 H new ATOM 0 HB2 LYS A 71 0.652 12.352 14.094 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.045 12.672 14.395 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -1.436 10.268 14.855 1.00 0.00 H new ATOM 0 HG3 LYS A 71 0.244 9.913 14.503 1.00 0.00 H new ATOM 0 HD2 LYS A 71 0.943 11.417 16.372 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -0.742 11.740 16.733 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -1.117 9.321 17.173 1.00 0.00 H new ATOM 0 HE3 LYS A 71 0.561 8.987 16.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 0.215 9.153 19.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 1.233 10.406 18.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -0.393 10.730 19.011 1.00 0.00 H new ATOM 815 N PRO A 72 1.640 11.643 11.406 1.00 0.00 N ATOM 816 CA PRO A 72 2.789 10.984 10.732 1.00 0.00 C ATOM 817 C PRO A 72 3.611 10.084 11.671 1.00 0.00 C ATOM 818 O PRO A 72 4.046 10.517 12.748 1.00 0.00 O ATOM 819 CB PRO A 72 3.654 12.160 10.229 1.00 0.00 C ATOM 820 CG PRO A 72 2.810 13.380 10.392 1.00 0.00 C ATOM 821 CD PRO A 72 1.902 13.097 11.553 1.00 0.00 C ATOM 0 HA PRO A 72 2.444 10.319 9.940 1.00 0.00 H new ATOM 0 HB2 PRO A 72 4.576 12.242 10.804 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.940 12.018 9.187 1.00 0.00 H new ATOM 0 HG2 PRO A 72 3.426 14.259 10.582 1.00 0.00 H new ATOM 0 HG3 PRO A 72 2.237 13.583 9.487 1.00 0.00 H new ATOM 0 HD2 PRO A 72 2.377 13.330 12.506 1.00 0.00 H new ATOM 0 HD3 PRO A 72 0.984 13.682 11.503 1.00 0.00 H new ATOM 829 N VAL A 73 3.796 8.827 11.248 1.00 0.00 N ATOM 830 CA VAL A 73 4.561 7.835 12.018 1.00 0.00 C ATOM 831 C VAL A 73 5.937 7.481 11.355 1.00 0.00 C ATOM 832 O VAL A 73 6.813 7.001 12.083 1.00 0.00 O ATOM 833 CB VAL A 73 3.732 6.524 12.279 1.00 0.00 C ATOM 834 CG1 VAL A 73 4.368 5.659 13.371 1.00 0.00 C ATOM 835 CG2 VAL A 73 2.287 6.841 12.672 1.00 0.00 C ATOM 0 H VAL A 73 3.423 8.470 10.369 1.00 0.00 H new ATOM 0 HA VAL A 73 4.770 8.308 12.978 1.00 0.00 H new ATOM 0 HB VAL A 73 3.734 5.969 11.341 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.766 4.763 13.522 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.375 5.373 13.068 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.416 6.225 14.301 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.745 5.911 12.844 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.281 7.439 13.583 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.805 7.398 11.869 1.00 0.00 H new TER 845 VAL A 73