USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 780 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 45 SER OG : rot -142:sc= -0.393 USER MOD Set 1.2: A 46 THR OG1 : rot -171:sc= 0.393 USER MOD Set 2.1: A 23 SER OG : rot -134:sc= 0.104 USER MOD Set 2.2: A 28 SER OG : rot 61:sc= 0.461 USER MOD Single : A 5 GLN : amide:sc= 0.509 K(o=0.51,f=-1.2!) USER MOD Single : A 7 SER OG : rot -23:sc= 0.752 USER MOD Single : A 8 LYS NZ :NH3+ -165:sc= -0.0145 (180deg=-0.292) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot -100:sc= -1.26 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl 142:sc= -0.272 (180deg=-1.43!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= -2.8! USER MOD Single : A 52 MET CE :methyl 153:sc= -1.17 (180deg=-4.47!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 100:sc= -0.0163 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -0.474 K(o=-0.47,f=-1.9!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -1.92 K(o=-1.9,f=-10!) USER MOD Single : A 86 SER OG : rot 180:sc= 0.00333 USER MOD Single : A 87 GLN : amide:sc= -0.0793 K(o=-0.079,f=-1.6!) USER MOD Single : A 94 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 137:sc= 0.162 USER MOD Single : A 104 ASN : amide:sc= -7.6! C(o=-7.6!,f=-7.2!) USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 8.917 2.230 8.858 1.00 0.00 N ATOM 21 CA ALA A 2 7.745 1.882 8.006 1.00 0.00 C ATOM 22 C ALA A 2 7.554 2.942 6.922 1.00 0.00 C ATOM 23 O ALA A 2 7.272 4.094 7.198 1.00 0.00 O ATOM 24 CB ALA A 2 6.492 1.799 8.878 1.00 0.00 C ATOM 0 HA ALA A 2 7.920 0.918 7.528 1.00 0.00 H new ATOM 0 HB1 ALA A 2 5.633 1.545 8.257 1.00 0.00 H new ATOM 0 HB2 ALA A 2 6.629 1.032 9.640 1.00 0.00 H new ATOM 0 HB3 ALA A 2 6.319 2.762 9.359 1.00 0.00 H new ATOM 30 N GLU A 3 7.713 2.560 5.685 1.00 0.00 N ATOM 31 CA GLU A 3 7.552 3.538 4.574 1.00 0.00 C ATOM 32 C GLU A 3 7.125 2.817 3.296 1.00 0.00 C ATOM 33 O GLU A 3 7.464 1.667 3.065 1.00 0.00 O ATOM 34 CB GLU A 3 8.877 4.273 4.341 1.00 0.00 C ATOM 35 CG GLU A 3 9.970 3.269 3.956 1.00 0.00 C ATOM 36 CD GLU A 3 11.299 4.005 3.774 1.00 0.00 C ATOM 37 OE1 GLU A 3 11.360 4.875 2.921 1.00 0.00 O ATOM 38 OE2 GLU A 3 12.232 3.688 4.494 1.00 0.00 O ATOM 0 H GLU A 3 7.948 1.611 5.396 1.00 0.00 H new ATOM 0 HA GLU A 3 6.781 4.260 4.843 1.00 0.00 H new ATOM 0 HB2 GLU A 3 8.758 5.014 3.551 1.00 0.00 H new ATOM 0 HB3 GLU A 3 9.167 4.812 5.243 1.00 0.00 H new ATOM 0 HG2 GLU A 3 10.067 2.507 4.729 1.00 0.00 H new ATOM 0 HG3 GLU A 3 9.698 2.755 3.034 1.00 0.00 H new ATOM 45 N ILE A 4 6.375 3.495 2.467 1.00 0.00 N ATOM 46 CA ILE A 4 5.891 2.891 1.189 1.00 0.00 C ATOM 47 C ILE A 4 6.586 3.553 0.003 1.00 0.00 C ATOM 48 O ILE A 4 6.645 4.765 -0.104 1.00 0.00 O ATOM 49 CB ILE A 4 4.379 3.097 1.070 1.00 0.00 C ATOM 50 CG1 ILE A 4 3.655 2.369 2.233 1.00 0.00 C ATOM 51 CG2 ILE A 4 3.897 2.549 -0.284 1.00 0.00 C ATOM 52 CD1 ILE A 4 3.443 3.326 3.411 1.00 0.00 C ATOM 0 H ILE A 4 6.073 4.456 2.624 1.00 0.00 H new ATOM 0 HA ILE A 4 6.119 1.825 1.189 1.00 0.00 H new ATOM 0 HB ILE A 4 4.149 4.161 1.129 1.00 0.00 H new ATOM 0 HG12 ILE A 4 2.694 1.987 1.889 1.00 0.00 H new ATOM 0 HG13 ILE A 4 4.243 1.510 2.555 1.00 0.00 H new ATOM 0 HG21 ILE A 4 2.820 2.694 -0.373 1.00 0.00 H new ATOM 0 HG22 ILE A 4 4.402 3.079 -1.092 1.00 0.00 H new ATOM 0 HG23 ILE A 4 4.127 1.485 -0.349 1.00 0.00 H new ATOM 0 HD11 ILE A 4 2.934 2.801 4.219 1.00 0.00 H new ATOM 0 HD12 ILE A 4 4.409 3.687 3.765 1.00 0.00 H new ATOM 0 HD13 ILE A 4 2.835 4.171 3.088 1.00 0.00 H new ATOM 64 N GLN A 5 7.114 2.758 -0.886 1.00 0.00 N ATOM 65 CA GLN A 5 7.819 3.304 -2.084 1.00 0.00 C ATOM 66 C GLN A 5 7.276 2.632 -3.347 1.00 0.00 C ATOM 67 O GLN A 5 7.196 1.422 -3.443 1.00 0.00 O ATOM 68 CB GLN A 5 9.318 3.031 -1.947 1.00 0.00 C ATOM 69 CG GLN A 5 9.873 3.870 -0.795 1.00 0.00 C ATOM 70 CD GLN A 5 11.363 3.582 -0.612 1.00 0.00 C ATOM 71 OE1 GLN A 5 11.942 2.814 -1.353 1.00 0.00 O ATOM 72 NE2 GLN A 5 12.015 4.178 0.349 1.00 0.00 N ATOM 0 H GLN A 5 7.087 1.740 -0.834 1.00 0.00 H new ATOM 0 HA GLN A 5 7.652 4.379 -2.157 1.00 0.00 H new ATOM 0 HB2 GLN A 5 9.492 1.972 -1.759 1.00 0.00 H new ATOM 0 HB3 GLN A 5 9.832 3.279 -2.875 1.00 0.00 H new ATOM 0 HG2 GLN A 5 9.721 4.930 -0.999 1.00 0.00 H new ATOM 0 HG3 GLN A 5 9.334 3.642 0.125 1.00 0.00 H new ATOM 0 HE21 GLN A 5 11.529 4.823 0.972 1.00 0.00 H new ATOM 0 HE22 GLN A 5 13.011 3.999 0.477 1.00 0.00 H new ATOM 81 N PHE A 6 6.904 3.421 -4.317 1.00 0.00 N ATOM 82 CA PHE A 6 6.366 2.864 -5.591 1.00 0.00 C ATOM 83 C PHE A 6 7.532 2.592 -6.546 1.00 0.00 C ATOM 84 O PHE A 6 7.363 2.039 -7.616 1.00 0.00 O ATOM 85 CB PHE A 6 5.422 3.891 -6.224 1.00 0.00 C ATOM 86 CG PHE A 6 4.128 3.943 -5.449 1.00 0.00 C ATOM 87 CD1 PHE A 6 3.164 2.948 -5.634 1.00 0.00 C ATOM 88 CD2 PHE A 6 3.890 4.988 -4.544 1.00 0.00 C ATOM 89 CE1 PHE A 6 1.963 2.992 -4.918 1.00 0.00 C ATOM 90 CE2 PHE A 6 2.688 5.032 -3.827 1.00 0.00 C ATOM 91 CZ PHE A 6 1.723 4.033 -4.014 1.00 0.00 C ATOM 0 H PHE A 6 6.950 4.439 -4.281 1.00 0.00 H new ATOM 0 HA PHE A 6 5.825 1.938 -5.396 1.00 0.00 H new ATOM 0 HB2 PHE A 6 5.892 4.874 -6.231 1.00 0.00 H new ATOM 0 HB3 PHE A 6 5.224 3.625 -7.262 1.00 0.00 H new ATOM 0 HD1 PHE A 6 3.347 2.144 -6.331 1.00 0.00 H new ATOM 0 HD2 PHE A 6 4.633 5.758 -4.400 1.00 0.00 H new ATOM 0 HE1 PHE A 6 1.220 2.222 -5.063 1.00 0.00 H new ATOM 0 HE2 PHE A 6 2.505 5.836 -3.130 1.00 0.00 H new ATOM 0 HZ PHE A 6 0.796 4.066 -3.461 1.00 0.00 H new ATOM 101 N SER A 7 8.718 2.984 -6.164 1.00 0.00 N ATOM 102 CA SER A 7 9.901 2.756 -7.049 1.00 0.00 C ATOM 103 C SER A 7 11.192 2.762 -6.225 1.00 0.00 C ATOM 104 O SER A 7 11.170 2.730 -5.011 1.00 0.00 O ATOM 105 CB SER A 7 9.977 3.856 -8.109 1.00 0.00 C ATOM 106 OG SER A 7 8.749 3.908 -8.819 1.00 0.00 O ATOM 0 H SER A 7 8.920 3.451 -5.280 1.00 0.00 H new ATOM 0 HA SER A 7 9.789 1.786 -7.533 1.00 0.00 H new ATOM 0 HB2 SER A 7 10.179 4.818 -7.638 1.00 0.00 H new ATOM 0 HB3 SER A 7 10.800 3.659 -8.796 1.00 0.00 H new ATOM 0 HG SER A 7 8.292 3.044 -8.745 1.00 0.00 H new ATOM 112 N LYS A 8 12.315 2.799 -6.893 1.00 0.00 N ATOM 113 CA LYS A 8 13.624 2.794 -6.180 1.00 0.00 C ATOM 114 C LYS A 8 13.908 4.158 -5.538 1.00 0.00 C ATOM 115 O LYS A 8 13.759 5.200 -6.150 1.00 0.00 O ATOM 116 CB LYS A 8 14.740 2.464 -7.173 1.00 0.00 C ATOM 117 CG LYS A 8 14.588 1.019 -7.658 1.00 0.00 C ATOM 118 CD LYS A 8 15.693 0.693 -8.669 1.00 0.00 C ATOM 119 CE LYS A 8 15.497 -0.727 -9.208 1.00 0.00 C ATOM 120 NZ LYS A 8 15.718 -1.713 -8.113 1.00 0.00 N ATOM 0 H LYS A 8 12.381 2.833 -7.910 1.00 0.00 H new ATOM 0 HA LYS A 8 13.583 2.042 -5.392 1.00 0.00 H new ATOM 0 HB2 LYS A 8 14.700 3.148 -8.020 1.00 0.00 H new ATOM 0 HB3 LYS A 8 15.713 2.599 -6.700 1.00 0.00 H new ATOM 0 HG2 LYS A 8 14.643 0.334 -6.812 1.00 0.00 H new ATOM 0 HG3 LYS A 8 13.609 0.881 -8.118 1.00 0.00 H new ATOM 0 HD2 LYS A 8 15.671 1.410 -9.490 1.00 0.00 H new ATOM 0 HD3 LYS A 8 16.671 0.781 -8.195 1.00 0.00 H new ATOM 0 HE2 LYS A 8 14.491 -0.837 -9.613 1.00 0.00 H new ATOM 0 HE3 LYS A 8 16.192 -0.915 -10.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 15.837 -2.663 -8.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 16.573 -1.455 -7.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 14.898 -1.711 -7.473 1.00 0.00 H new ATOM 134 N GLY A 9 14.333 4.140 -4.301 1.00 0.00 N ATOM 135 CA GLY A 9 14.656 5.407 -3.582 1.00 0.00 C ATOM 136 C GLY A 9 13.599 6.474 -3.873 1.00 0.00 C ATOM 137 O GLY A 9 13.853 7.446 -4.559 1.00 0.00 O ATOM 0 H GLY A 9 14.471 3.291 -3.753 1.00 0.00 H new ATOM 0 HA2 GLY A 9 14.707 5.220 -2.509 1.00 0.00 H new ATOM 0 HA3 GLY A 9 15.638 5.766 -3.890 1.00 0.00 H new ATOM 141 N VAL A 10 12.420 6.305 -3.340 1.00 0.00 N ATOM 142 CA VAL A 10 11.333 7.308 -3.554 1.00 0.00 C ATOM 143 C VAL A 10 11.119 8.086 -2.253 1.00 0.00 C ATOM 144 O VAL A 10 11.047 9.301 -2.240 1.00 0.00 O ATOM 145 CB VAL A 10 10.044 6.577 -3.928 1.00 0.00 C ATOM 146 CG1 VAL A 10 8.912 7.591 -4.103 1.00 0.00 C ATOM 147 CG2 VAL A 10 10.250 5.821 -5.240 1.00 0.00 C ATOM 0 H VAL A 10 12.159 5.508 -2.760 1.00 0.00 H new ATOM 0 HA VAL A 10 11.607 7.995 -4.355 1.00 0.00 H new ATOM 0 HB VAL A 10 9.785 5.874 -3.136 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.993 7.068 -4.370 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.763 8.134 -3.170 1.00 0.00 H new ATOM 0 HG13 VAL A 10 9.172 8.294 -4.894 1.00 0.00 H new ATOM 0 HG21 VAL A 10 9.331 5.299 -5.507 1.00 0.00 H new ATOM 0 HG22 VAL A 10 10.510 6.526 -6.029 1.00 0.00 H new ATOM 0 HG23 VAL A 10 11.056 5.097 -5.120 1.00 0.00 H new ATOM 157 N ALA A 11 11.012 7.382 -1.156 1.00 0.00 N ATOM 158 CA ALA A 11 10.795 8.050 0.163 1.00 0.00 C ATOM 159 C ALA A 11 9.506 8.873 0.103 1.00 0.00 C ATOM 160 O ALA A 11 9.512 10.068 -0.131 1.00 0.00 O ATOM 161 CB ALA A 11 11.992 8.944 0.504 1.00 0.00 C ATOM 0 H ALA A 11 11.066 6.364 -1.117 1.00 0.00 H new ATOM 0 HA ALA A 11 10.701 7.296 0.945 1.00 0.00 H new ATOM 0 HB1 ALA A 11 11.823 9.426 1.467 1.00 0.00 H new ATOM 0 HB2 ALA A 11 12.896 8.337 0.555 1.00 0.00 H new ATOM 0 HB3 ALA A 11 12.109 9.705 -0.267 1.00 0.00 H new ATOM 167 N GLU A 12 8.396 8.221 0.310 1.00 0.00 N ATOM 168 CA GLU A 12 7.082 8.918 0.265 1.00 0.00 C ATOM 169 C GLU A 12 6.784 9.567 1.615 1.00 0.00 C ATOM 170 O GLU A 12 6.765 8.921 2.645 1.00 0.00 O ATOM 171 CB GLU A 12 5.988 7.902 -0.073 1.00 0.00 C ATOM 172 CG GLU A 12 6.165 7.417 -1.515 1.00 0.00 C ATOM 173 CD GLU A 12 5.884 8.570 -2.482 1.00 0.00 C ATOM 174 OE1 GLU A 12 5.207 9.502 -2.079 1.00 0.00 O ATOM 175 OE2 GLU A 12 6.350 8.501 -3.608 1.00 0.00 O ATOM 0 H GLU A 12 8.344 7.222 0.511 1.00 0.00 H new ATOM 0 HA GLU A 12 7.111 9.696 -0.498 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.037 7.057 0.614 1.00 0.00 H new ATOM 0 HB3 GLU A 12 5.005 8.356 0.050 1.00 0.00 H new ATOM 0 HG2 GLU A 12 7.179 7.044 -1.662 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.488 6.587 -1.716 1.00 0.00 H new ATOM 182 N THR A 13 6.539 10.847 1.605 1.00 0.00 N ATOM 183 CA THR A 13 6.225 11.574 2.869 1.00 0.00 C ATOM 184 C THR A 13 4.698 11.682 3.010 1.00 0.00 C ATOM 185 O THR A 13 4.177 11.985 4.065 1.00 0.00 O ATOM 186 CB THR A 13 6.847 12.973 2.801 1.00 0.00 C ATOM 187 OG1 THR A 13 8.218 12.866 2.444 1.00 0.00 O ATOM 188 CG2 THR A 13 6.732 13.659 4.163 1.00 0.00 C ATOM 0 H THR A 13 6.543 11.428 0.767 1.00 0.00 H new ATOM 0 HA THR A 13 6.630 11.041 3.729 1.00 0.00 H new ATOM 0 HB THR A 13 6.318 13.563 2.053 1.00 0.00 H new ATOM 0 HG1 THR A 13 8.615 13.761 2.399 1.00 0.00 H new ATOM 0 HG21 THR A 13 7.176 14.653 4.108 1.00 0.00 H new ATOM 0 HG22 THR A 13 5.681 13.746 4.439 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.257 13.068 4.914 1.00 0.00 H new ATOM 196 N VAL A 14 3.980 11.432 1.944 1.00 0.00 N ATOM 197 CA VAL A 14 2.486 11.518 1.998 1.00 0.00 C ATOM 198 C VAL A 14 1.947 10.610 3.105 1.00 0.00 C ATOM 199 O VAL A 14 2.605 9.688 3.551 1.00 0.00 O ATOM 200 CB VAL A 14 1.885 11.092 0.649 1.00 0.00 C ATOM 201 CG1 VAL A 14 0.358 10.962 0.768 1.00 0.00 C ATOM 202 CG2 VAL A 14 2.220 12.148 -0.407 1.00 0.00 C ATOM 0 H VAL A 14 4.364 11.171 1.036 1.00 0.00 H new ATOM 0 HA VAL A 14 2.203 12.549 2.209 1.00 0.00 H new ATOM 0 HB VAL A 14 2.304 10.128 0.359 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.057 10.660 -0.193 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.114 10.212 1.521 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.067 11.922 1.061 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.796 11.851 -1.366 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.801 13.108 -0.107 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.302 12.238 -0.501 1.00 0.00 H new ATOM 212 N VAL A 15 0.744 10.877 3.551 1.00 0.00 N ATOM 213 CA VAL A 15 0.123 10.054 4.629 1.00 0.00 C ATOM 214 C VAL A 15 -1.068 9.269 4.055 1.00 0.00 C ATOM 215 O VAL A 15 -2.206 9.680 4.190 1.00 0.00 O ATOM 216 CB VAL A 15 -0.365 10.980 5.742 1.00 0.00 C ATOM 217 CG1 VAL A 15 -0.737 10.136 6.962 1.00 0.00 C ATOM 218 CG2 VAL A 15 0.758 11.947 6.117 1.00 0.00 C ATOM 0 H VAL A 15 0.161 11.640 3.208 1.00 0.00 H new ATOM 0 HA VAL A 15 0.857 9.353 5.027 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.235 11.544 5.405 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.087 10.788 7.762 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.528 9.436 6.693 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.138 9.582 7.302 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.416 12.611 6.911 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.624 11.382 6.463 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.036 12.538 5.244 1.00 0.00 H new ATOM 228 N PRO A 16 -0.811 8.155 3.409 1.00 0.00 N ATOM 229 CA PRO A 16 -1.883 7.315 2.794 1.00 0.00 C ATOM 230 C PRO A 16 -2.730 6.582 3.842 1.00 0.00 C ATOM 231 O PRO A 16 -2.262 6.226 4.906 1.00 0.00 O ATOM 232 CB PRO A 16 -1.108 6.326 1.910 1.00 0.00 C ATOM 233 CG PRO A 16 0.236 6.211 2.545 1.00 0.00 C ATOM 234 CD PRO A 16 0.526 7.572 3.184 1.00 0.00 C ATOM 0 HA PRO A 16 -2.602 7.916 2.237 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.609 5.359 1.868 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.030 6.690 0.885 1.00 0.00 H new ATOM 0 HG2 PRO A 16 0.246 5.419 3.294 1.00 0.00 H new ATOM 0 HG3 PRO A 16 0.996 5.959 1.805 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.077 7.465 4.119 1.00 0.00 H new ATOM 0 HD3 PRO A 16 1.130 8.200 2.529 1.00 0.00 H new ATOM 242 N GLU A 17 -3.976 6.363 3.538 1.00 0.00 N ATOM 243 CA GLU A 17 -4.873 5.664 4.500 1.00 0.00 C ATOM 244 C GLU A 17 -4.719 4.151 4.352 1.00 0.00 C ATOM 245 O GLU A 17 -4.328 3.653 3.313 1.00 0.00 O ATOM 246 CB GLU A 17 -6.323 6.060 4.223 1.00 0.00 C ATOM 247 CG GLU A 17 -7.263 5.312 5.185 1.00 0.00 C ATOM 248 CD GLU A 17 -7.587 3.912 4.641 1.00 0.00 C ATOM 249 OE1 GLU A 17 -7.146 3.599 3.547 1.00 0.00 O ATOM 250 OE2 GLU A 17 -8.273 3.178 5.332 1.00 0.00 O ATOM 0 H GLU A 17 -4.416 6.639 2.660 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.603 5.952 5.516 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.445 7.136 4.345 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.583 5.825 3.191 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.797 5.228 6.167 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.184 5.879 5.317 1.00 0.00 H new ATOM 257 N VAL A 18 -5.019 3.418 5.394 1.00 0.00 N ATOM 258 CA VAL A 18 -4.892 1.930 5.346 1.00 0.00 C ATOM 259 C VAL A 18 -6.264 1.287 5.551 1.00 0.00 C ATOM 260 O VAL A 18 -6.978 1.595 6.486 1.00 0.00 O ATOM 261 CB VAL A 18 -3.947 1.470 6.457 1.00 0.00 C ATOM 262 CG1 VAL A 18 -4.004 -0.058 6.587 1.00 0.00 C ATOM 263 CG2 VAL A 18 -2.520 1.898 6.113 1.00 0.00 C ATOM 0 H VAL A 18 -5.350 3.791 6.284 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.496 1.631 4.375 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.250 1.922 7.401 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.329 -0.381 7.380 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.022 -0.365 6.829 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.702 -0.515 5.645 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.842 1.572 6.902 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.222 1.444 5.168 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.477 2.983 6.023 1.00 0.00 H new ATOM 273 N ARG A 19 -6.621 0.382 4.679 1.00 0.00 N ATOM 274 CA ARG A 19 -7.936 -0.317 4.788 1.00 0.00 C ATOM 275 C ARG A 19 -7.708 -1.828 4.716 1.00 0.00 C ATOM 276 O ARG A 19 -6.925 -2.315 3.921 1.00 0.00 O ATOM 277 CB ARG A 19 -8.846 0.123 3.640 1.00 0.00 C ATOM 278 CG ARG A 19 -10.223 -0.529 3.805 1.00 0.00 C ATOM 279 CD ARG A 19 -11.144 -0.091 2.665 1.00 0.00 C ATOM 280 NE ARG A 19 -11.438 1.365 2.795 1.00 0.00 N ATOM 281 CZ ARG A 19 -12.096 1.995 1.856 1.00 0.00 C ATOM 282 NH1 ARG A 19 -12.507 1.355 0.796 1.00 0.00 N ATOM 283 NH2 ARG A 19 -12.343 3.270 1.981 1.00 0.00 N ATOM 0 H ARG A 19 -6.050 0.093 3.885 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.410 -0.064 5.737 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.944 1.209 3.634 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.408 -0.163 2.684 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.124 -1.614 3.808 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -10.657 -0.246 4.764 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -10.672 -0.293 1.704 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -12.071 -0.664 2.692 1.00 0.00 H new ATOM 0 HE ARG A 19 -11.124 1.873 3.622 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -12.316 0.358 0.696 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -13.020 1.852 0.067 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -12.023 3.773 2.809 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -12.856 3.764 1.251 1.00 0.00 H new ATOM 297 N LEU A 20 -8.392 -2.571 5.546 1.00 0.00 N ATOM 298 CA LEU A 20 -8.234 -4.058 5.552 1.00 0.00 C ATOM 299 C LEU A 20 -9.406 -4.695 4.805 1.00 0.00 C ATOM 300 O LEU A 20 -10.557 -4.374 5.040 1.00 0.00 O ATOM 301 CB LEU A 20 -8.218 -4.564 6.997 1.00 0.00 C ATOM 302 CG LEU A 20 -7.061 -3.912 7.768 1.00 0.00 C ATOM 303 CD1 LEU A 20 -7.097 -4.379 9.228 1.00 0.00 C ATOM 304 CD2 LEU A 20 -5.717 -4.310 7.135 1.00 0.00 C ATOM 0 H LEU A 20 -9.060 -2.209 6.227 1.00 0.00 H new ATOM 0 HA LEU A 20 -7.298 -4.327 5.062 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -9.166 -4.333 7.483 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -8.110 -5.649 7.010 1.00 0.00 H new ATOM 0 HG LEU A 20 -7.167 -2.828 7.726 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -6.277 -3.918 9.778 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -8.045 -4.088 9.680 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -6.995 -5.464 9.266 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.902 -3.843 7.688 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.605 -5.394 7.170 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.690 -3.976 6.098 1.00 0.00 H new ATOM 316 N SER A 21 -9.116 -5.594 3.900 1.00 0.00 N ATOM 317 CA SER A 21 -10.193 -6.266 3.111 1.00 0.00 C ATOM 318 C SER A 21 -10.338 -7.717 3.572 1.00 0.00 C ATOM 319 O SER A 21 -9.386 -8.344 3.998 1.00 0.00 O ATOM 320 CB SER A 21 -9.819 -6.240 1.631 1.00 0.00 C ATOM 321 OG SER A 21 -9.988 -4.924 1.130 1.00 0.00 O ATOM 0 H SER A 21 -8.169 -5.895 3.671 1.00 0.00 H new ATOM 0 HA SER A 21 -11.137 -5.743 3.263 1.00 0.00 H new ATOM 0 HB2 SER A 21 -8.786 -6.562 1.499 1.00 0.00 H new ATOM 0 HB3 SER A 21 -10.444 -6.937 1.073 1.00 0.00 H new ATOM 0 HG SER A 21 -10.839 -4.865 0.647 1.00 0.00 H new ATOM 327 N LYS A 22 -11.529 -8.250 3.491 1.00 0.00 N ATOM 328 CA LYS A 22 -11.765 -9.660 3.922 1.00 0.00 C ATOM 329 C LYS A 22 -12.623 -10.379 2.878 1.00 0.00 C ATOM 330 O LYS A 22 -13.543 -9.820 2.314 1.00 0.00 O ATOM 331 CB LYS A 22 -12.486 -9.670 5.274 1.00 0.00 C ATOM 332 CG LYS A 22 -12.590 -11.110 5.780 1.00 0.00 C ATOM 333 CD LYS A 22 -13.231 -11.127 7.168 1.00 0.00 C ATOM 334 CE LYS A 22 -13.305 -12.566 7.680 1.00 0.00 C ATOM 335 NZ LYS A 22 -13.891 -12.577 9.051 1.00 0.00 N ATOM 0 H LYS A 22 -12.355 -7.765 3.142 1.00 0.00 H new ATOM 0 HA LYS A 22 -10.808 -10.173 4.019 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -11.943 -9.058 5.994 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -13.480 -9.235 5.172 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -13.184 -11.706 5.088 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -11.599 -11.563 5.821 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -12.649 -10.515 7.856 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -14.230 -10.694 7.124 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -13.913 -13.171 7.008 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -12.309 -13.009 7.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -13.941 -13.556 9.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -13.293 -12.013 9.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -14.848 -12.170 9.023 1.00 0.00 H new ATOM 349 N SER A 23 -12.322 -11.625 2.629 1.00 0.00 N ATOM 350 CA SER A 23 -13.102 -12.415 1.631 1.00 0.00 C ATOM 351 C SER A 23 -14.494 -12.727 2.198 1.00 0.00 C ATOM 352 O SER A 23 -15.210 -13.565 1.689 1.00 0.00 O ATOM 353 CB SER A 23 -12.353 -13.713 1.326 1.00 0.00 C ATOM 354 OG SER A 23 -12.051 -14.381 2.545 1.00 0.00 O ATOM 0 H SER A 23 -11.562 -12.135 3.079 1.00 0.00 H new ATOM 0 HA SER A 23 -13.218 -11.842 0.711 1.00 0.00 H new ATOM 0 HB2 SER A 23 -12.960 -14.355 0.687 1.00 0.00 H new ATOM 0 HB3 SER A 23 -11.435 -13.496 0.780 1.00 0.00 H new ATOM 0 HG SER A 23 -11.118 -14.681 2.531 1.00 0.00 H new ATOM 420 N SER A 28 -9.037 -16.264 3.621 1.00 0.00 N ATOM 421 CA SER A 28 -7.984 -15.634 2.772 1.00 0.00 C ATOM 422 C SER A 28 -7.722 -14.209 3.263 1.00 0.00 C ATOM 423 O SER A 28 -8.466 -13.288 2.985 1.00 0.00 O ATOM 424 CB SER A 28 -8.430 -15.611 1.310 1.00 0.00 C ATOM 425 OG SER A 28 -9.395 -14.586 1.127 1.00 0.00 O ATOM 0 HA SER A 28 -7.066 -16.217 2.846 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.573 -15.439 0.660 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.852 -16.577 1.032 1.00 0.00 H new ATOM 0 HG SER A 28 -8.995 -13.718 1.342 1.00 0.00 H new ATOM 431 N GLY A 29 -6.661 -14.031 3.998 1.00 0.00 N ATOM 432 CA GLY A 29 -6.321 -12.681 4.533 1.00 0.00 C ATOM 433 C GLY A 29 -5.925 -11.744 3.393 1.00 0.00 C ATOM 434 O GLY A 29 -5.290 -12.140 2.436 1.00 0.00 O ATOM 0 H GLY A 29 -6.007 -14.770 4.254 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -7.175 -12.270 5.071 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.502 -12.761 5.248 1.00 0.00 H new ATOM 438 N MET A 30 -6.292 -10.498 3.496 1.00 0.00 N ATOM 439 CA MET A 30 -5.933 -9.526 2.430 1.00 0.00 C ATOM 440 C MET A 30 -6.140 -8.102 2.942 1.00 0.00 C ATOM 441 O MET A 30 -6.948 -7.848 3.818 1.00 0.00 O ATOM 442 CB MET A 30 -6.806 -9.763 1.196 1.00 0.00 C ATOM 443 CG MET A 30 -6.370 -8.810 0.079 1.00 0.00 C ATOM 444 SD MET A 30 -7.225 -9.246 -1.455 1.00 0.00 S ATOM 445 CE MET A 30 -8.917 -9.003 -0.861 1.00 0.00 C ATOM 0 H MET A 30 -6.826 -10.111 4.274 1.00 0.00 H new ATOM 0 HA MET A 30 -4.886 -9.663 2.158 1.00 0.00 H new ATOM 0 HB2 MET A 30 -6.714 -10.797 0.864 1.00 0.00 H new ATOM 0 HB3 MET A 30 -7.855 -9.599 1.441 1.00 0.00 H new ATOM 0 HG2 MET A 30 -6.598 -7.781 0.355 1.00 0.00 H new ATOM 0 HG3 MET A 30 -5.291 -8.870 -0.064 1.00 0.00 H new ATOM 0 HE1 MET A 30 -9.521 -8.561 -1.653 1.00 0.00 H new ATOM 0 HE2 MET A 30 -9.343 -9.964 -0.574 1.00 0.00 H new ATOM 0 HE3 MET A 30 -8.908 -8.338 0.002 1.00 0.00 H new ATOM 455 N ALA A 31 -5.407 -7.167 2.403 1.00 0.00 N ATOM 456 CA ALA A 31 -5.539 -5.751 2.848 1.00 0.00 C ATOM 457 C ALA A 31 -5.388 -4.821 1.650 1.00 0.00 C ATOM 458 O ALA A 31 -4.746 -5.150 0.671 1.00 0.00 O ATOM 459 CB ALA A 31 -4.450 -5.435 3.874 1.00 0.00 C ATOM 0 H ALA A 31 -4.717 -7.325 1.668 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.520 -5.605 3.299 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.546 -4.399 4.200 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.557 -6.097 4.733 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.470 -5.583 3.421 1.00 0.00 H new ATOM 465 N LYS A 32 -5.984 -3.660 1.727 1.00 0.00 N ATOM 466 CA LYS A 32 -5.902 -2.677 0.604 1.00 0.00 C ATOM 467 C LYS A 32 -5.325 -1.359 1.113 1.00 0.00 C ATOM 468 O LYS A 32 -5.531 -0.972 2.248 1.00 0.00 O ATOM 469 CB LYS A 32 -7.300 -2.432 0.041 1.00 0.00 C ATOM 470 CG LYS A 32 -7.804 -3.706 -0.635 1.00 0.00 C ATOM 471 CD LYS A 32 -9.192 -3.456 -1.226 1.00 0.00 C ATOM 472 CE LYS A 32 -9.698 -4.734 -1.899 1.00 0.00 C ATOM 473 NZ LYS A 32 -11.052 -4.491 -2.471 1.00 0.00 N ATOM 0 H LYS A 32 -6.531 -3.347 2.529 1.00 0.00 H new ATOM 0 HA LYS A 32 -5.256 -3.077 -0.177 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.980 -2.138 0.841 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -7.277 -1.611 -0.676 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -7.113 -4.011 -1.420 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -7.846 -4.521 0.087 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -9.883 -3.148 -0.441 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.149 -2.643 -1.951 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -9.009 -5.041 -2.686 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -9.738 -5.548 -1.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -11.396 -5.359 -2.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.706 -4.218 -1.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -11.000 -3.726 -3.174 1.00 0.00 H new ATOM 487 N PHE A 33 -4.601 -0.669 0.271 1.00 0.00 N ATOM 488 CA PHE A 33 -3.988 0.636 0.668 1.00 0.00 C ATOM 489 C PHE A 33 -4.512 1.735 -0.250 1.00 0.00 C ATOM 490 O PHE A 33 -4.616 1.562 -1.451 1.00 0.00 O ATOM 491 CB PHE A 33 -2.467 0.538 0.529 1.00 0.00 C ATOM 492 CG PHE A 33 -1.910 -0.230 1.702 1.00 0.00 C ATOM 493 CD1 PHE A 33 -2.086 -1.616 1.779 1.00 0.00 C ATOM 494 CD2 PHE A 33 -1.220 0.446 2.717 1.00 0.00 C ATOM 495 CE1 PHE A 33 -1.573 -2.328 2.870 1.00 0.00 C ATOM 496 CE2 PHE A 33 -0.706 -0.266 3.807 1.00 0.00 C ATOM 497 CZ PHE A 33 -0.883 -1.651 3.885 1.00 0.00 C ATOM 0 H PHE A 33 -4.405 -0.957 -0.688 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.247 0.869 1.701 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.207 0.039 -0.404 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -2.028 1.535 0.491 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.618 -2.137 0.996 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.085 1.516 2.658 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -1.709 -3.398 2.929 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.172 0.255 4.588 1.00 0.00 H new ATOM 0 HZ PHE A 33 -0.488 -2.199 4.728 1.00 0.00 H new ATOM 507 N TYR A 34 -4.849 2.865 0.316 1.00 0.00 N ATOM 508 CA TYR A 34 -5.378 3.999 -0.495 1.00 0.00 C ATOM 509 C TYR A 34 -4.391 5.159 -0.450 1.00 0.00 C ATOM 510 O TYR A 34 -4.058 5.670 0.604 1.00 0.00 O ATOM 511 CB TYR A 34 -6.721 4.448 0.083 1.00 0.00 C ATOM 512 CG TYR A 34 -7.415 5.351 -0.907 1.00 0.00 C ATOM 513 CD1 TYR A 34 -7.196 6.731 -0.873 1.00 0.00 C ATOM 514 CD2 TYR A 34 -8.276 4.802 -1.863 1.00 0.00 C ATOM 515 CE1 TYR A 34 -7.839 7.564 -1.796 1.00 0.00 C ATOM 516 CE2 TYR A 34 -8.919 5.632 -2.786 1.00 0.00 C ATOM 517 CZ TYR A 34 -8.701 7.014 -2.753 1.00 0.00 C ATOM 518 OH TYR A 34 -9.335 7.834 -3.662 1.00 0.00 O ATOM 0 H TYR A 34 -4.779 3.051 1.316 1.00 0.00 H new ATOM 0 HA TYR A 34 -5.513 3.679 -1.528 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.344 3.581 0.300 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -6.567 4.973 1.025 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -6.531 7.154 -0.135 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -8.444 3.735 -1.888 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -7.670 8.630 -1.770 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -9.583 5.207 -3.524 1.00 0.00 H new ATOM 0 HH TYR A 34 -9.896 7.292 -4.256 1.00 0.00 H new ATOM 528 N PHE A 35 -3.926 5.582 -1.597 1.00 0.00 N ATOM 529 CA PHE A 35 -2.954 6.718 -1.661 1.00 0.00 C ATOM 530 C PHE A 35 -3.640 7.919 -2.294 1.00 0.00 C ATOM 531 O PHE A 35 -4.011 7.899 -3.454 1.00 0.00 O ATOM 532 CB PHE A 35 -1.751 6.310 -2.511 1.00 0.00 C ATOM 533 CG PHE A 35 -1.102 5.087 -1.911 1.00 0.00 C ATOM 534 CD1 PHE A 35 -1.613 3.813 -2.192 1.00 0.00 C ATOM 535 CD2 PHE A 35 0.002 5.226 -1.066 1.00 0.00 C ATOM 536 CE1 PHE A 35 -1.014 2.679 -1.629 1.00 0.00 C ATOM 537 CE2 PHE A 35 0.599 4.094 -0.500 1.00 0.00 C ATOM 538 CZ PHE A 35 0.091 2.819 -0.782 1.00 0.00 C ATOM 0 H PHE A 35 -4.180 5.186 -2.502 1.00 0.00 H new ATOM 0 HA PHE A 35 -2.615 6.973 -0.657 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -2.068 6.102 -3.533 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -1.033 7.129 -2.560 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -2.468 3.705 -2.842 1.00 0.00 H new ATOM 0 HD2 PHE A 35 0.395 6.208 -0.849 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.405 1.697 -1.849 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.451 4.203 0.154 1.00 0.00 H new ATOM 0 HZ PHE A 35 0.552 1.945 -0.346 1.00 0.00 H new ATOM 548 N LEU A 36 -3.821 8.966 -1.535 1.00 0.00 N ATOM 549 CA LEU A 36 -4.495 10.176 -2.079 1.00 0.00 C ATOM 550 C LEU A 36 -3.450 11.189 -2.555 1.00 0.00 C ATOM 551 O LEU A 36 -2.618 11.656 -1.796 1.00 0.00 O ATOM 552 CB LEU A 36 -5.375 10.805 -0.990 1.00 0.00 C ATOM 553 CG LEU A 36 -6.022 12.100 -1.516 1.00 0.00 C ATOM 554 CD1 LEU A 36 -6.817 11.811 -2.801 1.00 0.00 C ATOM 555 CD2 LEU A 36 -6.962 12.667 -0.446 1.00 0.00 C ATOM 0 H LEU A 36 -3.530 9.034 -0.560 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.118 9.890 -2.926 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.149 10.101 -0.685 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.775 11.022 -0.106 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.240 12.825 -1.741 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.270 12.734 -3.164 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.146 11.412 -3.562 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -7.599 11.082 -2.589 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.422 13.584 -0.815 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.739 11.937 -0.220 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.394 12.884 0.459 1.00 0.00 H new ATOM 567 N GLU A 37 -3.510 11.534 -3.810 1.00 0.00 N ATOM 568 CA GLU A 37 -2.558 12.524 -4.388 1.00 0.00 C ATOM 569 C GLU A 37 -1.115 12.175 -4.002 1.00 0.00 C ATOM 570 O GLU A 37 -0.424 12.965 -3.388 1.00 0.00 O ATOM 571 CB GLU A 37 -2.903 13.933 -3.885 1.00 0.00 C ATOM 572 CG GLU A 37 -4.184 14.414 -4.576 1.00 0.00 C ATOM 573 CD GLU A 37 -4.686 15.692 -3.901 1.00 0.00 C ATOM 574 OE1 GLU A 37 -4.251 16.759 -4.299 1.00 0.00 O ATOM 575 OE2 GLU A 37 -5.501 15.580 -2.999 1.00 0.00 O ATOM 0 H GLU A 37 -4.192 11.165 -4.473 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.645 12.495 -5.474 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -3.040 13.923 -2.804 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -2.082 14.619 -4.096 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -3.991 14.601 -5.632 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -4.949 13.639 -4.524 1.00 0.00 H new ATOM 582 N PRO A 38 -0.655 11.013 -4.387 1.00 0.00 N ATOM 583 CA PRO A 38 0.739 10.570 -4.095 1.00 0.00 C ATOM 584 C PRO A 38 1.746 11.391 -4.913 1.00 0.00 C ATOM 585 O PRO A 38 2.943 11.191 -4.851 1.00 0.00 O ATOM 586 CB PRO A 38 0.751 9.084 -4.497 1.00 0.00 C ATOM 587 CG PRO A 38 -0.364 8.934 -5.486 1.00 0.00 C ATOM 588 CD PRO A 38 -1.415 9.993 -5.132 1.00 0.00 C ATOM 0 HA PRO A 38 1.024 10.711 -3.052 1.00 0.00 H new ATOM 0 HB2 PRO A 38 1.708 8.803 -4.937 1.00 0.00 H new ATOM 0 HB3 PRO A 38 0.598 8.441 -3.631 1.00 0.00 H new ATOM 0 HG2 PRO A 38 0.000 9.076 -6.504 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -0.792 7.933 -5.437 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -1.876 10.413 -6.026 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -2.218 9.572 -4.527 1.00 0.00 H new ATOM 596 N THR A 39 1.241 12.322 -5.676 1.00 0.00 N ATOM 597 CA THR A 39 2.117 13.195 -6.512 1.00 0.00 C ATOM 598 C THR A 39 3.018 12.336 -7.407 1.00 0.00 C ATOM 599 O THR A 39 3.873 12.839 -8.111 1.00 0.00 O ATOM 600 CB THR A 39 2.982 14.080 -5.598 1.00 0.00 C ATOM 601 OG1 THR A 39 2.233 14.432 -4.443 1.00 0.00 O ATOM 602 CG2 THR A 39 3.390 15.355 -6.347 1.00 0.00 C ATOM 0 H THR A 39 0.243 12.518 -5.757 1.00 0.00 H new ATOM 0 HA THR A 39 1.493 13.827 -7.144 1.00 0.00 H new ATOM 0 HB THR A 39 3.878 13.532 -5.305 1.00 0.00 H new ATOM 0 HG1 THR A 39 2.781 14.995 -3.857 1.00 0.00 H new ATOM 0 HG21 THR A 39 4.002 15.979 -5.696 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.961 15.088 -7.236 1.00 0.00 H new ATOM 0 HG23 THR A 39 2.497 15.906 -6.642 1.00 0.00 H new ATOM 610 N ILE A 40 2.829 11.048 -7.390 1.00 0.00 N ATOM 611 CA ILE A 40 3.676 10.165 -8.238 1.00 0.00 C ATOM 612 C ILE A 40 3.260 10.308 -9.709 1.00 0.00 C ATOM 613 O ILE A 40 3.841 9.707 -10.594 1.00 0.00 O ATOM 614 CB ILE A 40 3.496 8.705 -7.775 1.00 0.00 C ATOM 615 CG1 ILE A 40 4.685 7.846 -8.262 1.00 0.00 C ATOM 616 CG2 ILE A 40 2.178 8.132 -8.328 1.00 0.00 C ATOM 617 CD1 ILE A 40 5.819 7.897 -7.232 1.00 0.00 C ATOM 0 H ILE A 40 2.126 10.568 -6.827 1.00 0.00 H new ATOM 0 HA ILE A 40 4.724 10.450 -8.141 1.00 0.00 H new ATOM 0 HB ILE A 40 3.462 8.684 -6.686 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.364 6.815 -8.412 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.040 8.212 -9.225 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.061 7.101 -7.995 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.341 8.728 -7.964 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.197 8.161 -9.417 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.654 7.290 -7.580 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.148 8.928 -7.104 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.462 7.509 -6.278 1.00 0.00 H new ATOM 629 N LEU A 41 2.265 11.103 -9.977 1.00 0.00 N ATOM 630 CA LEU A 41 1.811 11.286 -11.387 1.00 0.00 C ATOM 631 C LEU A 41 2.679 12.357 -12.054 1.00 0.00 C ATOM 632 O LEU A 41 2.628 12.562 -13.253 1.00 0.00 O ATOM 633 CB LEU A 41 0.349 11.745 -11.387 1.00 0.00 C ATOM 634 CG LEU A 41 -0.512 10.742 -10.613 1.00 0.00 C ATOM 635 CD1 LEU A 41 -1.964 11.235 -10.575 1.00 0.00 C ATOM 636 CD2 LEU A 41 -0.455 9.363 -11.292 1.00 0.00 C ATOM 0 H LEU A 41 1.744 11.636 -9.281 1.00 0.00 H new ATOM 0 HA LEU A 41 1.900 10.347 -11.933 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.269 12.733 -10.933 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.013 11.834 -12.411 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.129 10.654 -9.596 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.576 10.521 -10.024 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.006 12.206 -10.081 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.343 11.329 -11.593 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.070 8.657 -10.734 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.830 9.444 -12.312 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.576 9.009 -11.311 1.00 0.00 H new ATOM 648 N ALA A 42 3.484 13.036 -11.283 1.00 0.00 N ATOM 649 CA ALA A 42 4.370 14.094 -11.857 1.00 0.00 C ATOM 650 C ALA A 42 5.730 13.485 -12.202 1.00 0.00 C ATOM 651 O ALA A 42 6.492 14.033 -12.976 1.00 0.00 O ATOM 652 CB ALA A 42 4.567 15.199 -10.820 1.00 0.00 C ATOM 0 H ALA A 42 3.568 12.904 -10.275 1.00 0.00 H new ATOM 0 HA ALA A 42 3.913 14.506 -12.757 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.213 15.974 -11.233 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.601 15.631 -10.561 1.00 0.00 H new ATOM 0 HB3 ALA A 42 5.029 14.781 -9.926 1.00 0.00 H new ATOM 658 N LYS A 43 6.038 12.347 -11.636 1.00 0.00 N ATOM 659 CA LYS A 43 7.346 11.682 -11.926 1.00 0.00 C ATOM 660 C LYS A 43 7.109 10.503 -12.865 1.00 0.00 C ATOM 661 O LYS A 43 7.804 10.324 -13.847 1.00 0.00 O ATOM 662 CB LYS A 43 7.948 11.160 -10.620 1.00 0.00 C ATOM 663 CG LYS A 43 8.316 12.337 -9.716 1.00 0.00 C ATOM 664 CD LYS A 43 9.065 11.833 -8.475 1.00 0.00 C ATOM 665 CE LYS A 43 8.115 11.051 -7.560 1.00 0.00 C ATOM 666 NZ LYS A 43 8.737 10.903 -6.215 1.00 0.00 N ATOM 0 H LYS A 43 5.437 11.846 -10.982 1.00 0.00 H new ATOM 0 HA LYS A 43 8.026 12.398 -12.388 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.235 10.509 -10.114 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.833 10.560 -10.831 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.938 13.046 -10.263 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.414 12.870 -9.415 1.00 0.00 H new ATOM 0 HD2 LYS A 43 9.896 11.196 -8.777 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.491 12.676 -7.932 1.00 0.00 H new ATOM 0 HE2 LYS A 43 7.161 11.572 -7.477 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.906 10.070 -7.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 8.095 10.373 -5.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 9.637 10.389 -6.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 8.915 11.844 -5.809 1.00 0.00 H new ATOM 680 N GLU A 44 6.129 9.688 -12.567 1.00 0.00 N ATOM 681 CA GLU A 44 5.838 8.502 -13.433 1.00 0.00 C ATOM 682 C GLU A 44 4.329 8.332 -13.603 1.00 0.00 C ATOM 683 O GLU A 44 3.543 8.729 -12.764 1.00 0.00 O ATOM 684 CB GLU A 44 6.420 7.246 -12.787 1.00 0.00 C ATOM 685 CG GLU A 44 7.947 7.328 -12.808 1.00 0.00 C ATOM 686 CD GLU A 44 8.536 6.126 -12.068 1.00 0.00 C ATOM 687 OE1 GLU A 44 7.765 5.295 -11.619 1.00 0.00 O ATOM 688 OE2 GLU A 44 9.748 6.057 -11.965 1.00 0.00 O ATOM 0 H GLU A 44 5.515 9.792 -11.759 1.00 0.00 H new ATOM 0 HA GLU A 44 6.291 8.657 -14.412 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.063 7.152 -11.761 1.00 0.00 H new ATOM 0 HB3 GLU A 44 6.085 6.358 -13.323 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.306 7.346 -13.837 1.00 0.00 H new ATOM 0 HG3 GLU A 44 8.278 8.254 -12.339 1.00 0.00 H new ATOM 695 N SER A 45 3.927 7.741 -14.694 1.00 0.00 N ATOM 696 CA SER A 45 2.477 7.533 -14.952 1.00 0.00 C ATOM 697 C SER A 45 1.970 6.308 -14.187 1.00 0.00 C ATOM 698 O SER A 45 2.736 5.506 -13.683 1.00 0.00 O ATOM 699 CB SER A 45 2.265 7.320 -16.449 1.00 0.00 C ATOM 700 OG SER A 45 0.982 6.747 -16.670 1.00 0.00 O ATOM 0 H SER A 45 4.548 7.391 -15.424 1.00 0.00 H new ATOM 0 HA SER A 45 1.924 8.410 -14.615 1.00 0.00 H new ATOM 0 HB2 SER A 45 2.347 8.270 -16.977 1.00 0.00 H new ATOM 0 HB3 SER A 45 3.041 6.666 -16.847 1.00 0.00 H new ATOM 0 HG SER A 45 1.037 6.091 -17.396 1.00 0.00 H new ATOM 706 N THR A 46 0.676 6.160 -14.111 1.00 0.00 N ATOM 707 CA THR A 46 0.089 4.993 -13.394 1.00 0.00 C ATOM 708 C THR A 46 0.506 3.699 -14.100 1.00 0.00 C ATOM 709 O THR A 46 0.815 2.702 -13.475 1.00 0.00 O ATOM 710 CB THR A 46 -1.437 5.115 -13.425 1.00 0.00 C ATOM 711 OG1 THR A 46 -1.874 5.269 -14.772 1.00 0.00 O ATOM 712 CG2 THR A 46 -1.872 6.330 -12.607 1.00 0.00 C ATOM 0 H THR A 46 -0.004 6.802 -14.518 1.00 0.00 H new ATOM 0 HA THR A 46 0.443 4.974 -12.363 1.00 0.00 H new ATOM 0 HB THR A 46 -1.880 4.215 -12.999 1.00 0.00 H new ATOM 0 HG1 THR A 46 -2.829 5.489 -14.783 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.958 6.415 -12.631 1.00 0.00 H new ATOM 0 HG22 THR A 46 -1.540 6.212 -11.576 1.00 0.00 H new ATOM 0 HG23 THR A 46 -1.429 7.231 -13.030 1.00 0.00 H new ATOM 720 N ASP A 47 0.517 3.717 -15.401 1.00 0.00 N ATOM 721 CA ASP A 47 0.912 2.504 -16.175 1.00 0.00 C ATOM 722 C ASP A 47 2.419 2.263 -16.024 1.00 0.00 C ATOM 723 O ASP A 47 2.911 1.170 -16.221 1.00 0.00 O ATOM 724 CB ASP A 47 0.583 2.723 -17.656 1.00 0.00 C ATOM 725 CG ASP A 47 1.335 3.953 -18.175 1.00 0.00 C ATOM 726 OD1 ASP A 47 1.970 4.621 -17.374 1.00 0.00 O ATOM 727 OD2 ASP A 47 1.263 4.206 -19.367 1.00 0.00 O ATOM 0 H ASP A 47 0.267 4.526 -15.969 1.00 0.00 H new ATOM 0 HA ASP A 47 0.367 1.639 -15.797 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.863 1.843 -18.235 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.491 2.860 -17.784 1.00 0.00 H new ATOM 732 N ASP A 48 3.152 3.284 -15.683 1.00 0.00 N ATOM 733 CA ASP A 48 4.627 3.134 -15.528 1.00 0.00 C ATOM 734 C ASP A 48 4.949 2.516 -14.164 1.00 0.00 C ATOM 735 O ASP A 48 6.085 2.201 -13.864 1.00 0.00 O ATOM 736 CB ASP A 48 5.279 4.516 -15.617 1.00 0.00 C ATOM 737 CG ASP A 48 5.149 5.055 -17.043 1.00 0.00 C ATOM 738 OD1 ASP A 48 4.850 4.272 -17.927 1.00 0.00 O ATOM 739 OD2 ASP A 48 5.351 6.246 -17.226 1.00 0.00 O ATOM 0 H ASP A 48 2.792 4.221 -15.504 1.00 0.00 H new ATOM 0 HA ASP A 48 5.009 2.485 -16.316 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.803 5.200 -14.914 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.330 4.452 -15.336 1.00 0.00 H new ATOM 744 N ILE A 49 3.961 2.341 -13.330 1.00 0.00 N ATOM 745 CA ILE A 49 4.217 1.750 -11.981 1.00 0.00 C ATOM 746 C ILE A 49 4.034 0.235 -12.033 1.00 0.00 C ATOM 747 O ILE A 49 2.996 -0.269 -12.419 1.00 0.00 O ATOM 748 CB ILE A 49 3.257 2.359 -10.960 1.00 0.00 C ATOM 749 CG1 ILE A 49 3.572 3.852 -10.812 1.00 0.00 C ATOM 750 CG2 ILE A 49 3.437 1.660 -9.608 1.00 0.00 C ATOM 751 CD1 ILE A 49 2.472 4.544 -10.007 1.00 0.00 C ATOM 0 H ILE A 49 2.988 2.580 -13.522 1.00 0.00 H new ATOM 0 HA ILE A 49 5.242 1.971 -11.682 1.00 0.00 H new ATOM 0 HB ILE A 49 2.228 2.230 -11.296 1.00 0.00 H new ATOM 0 HG12 ILE A 49 4.533 3.981 -10.315 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.658 4.313 -11.796 1.00 0.00 H new ATOM 0 HG21 ILE A 49 2.752 2.094 -8.880 1.00 0.00 H new ATOM 0 HG22 ILE A 49 3.224 0.597 -9.717 1.00 0.00 H new ATOM 0 HG23 ILE A 49 4.463 1.791 -9.264 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.706 5.604 -9.908 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.518 4.429 -10.521 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.407 4.093 -9.017 1.00 0.00 H new ATOM 763 N THR A 50 5.052 -0.488 -11.643 1.00 0.00 N ATOM 764 CA THR A 50 4.989 -1.979 -11.654 1.00 0.00 C ATOM 765 C THR A 50 5.105 -2.502 -10.222 1.00 0.00 C ATOM 766 O THR A 50 6.182 -2.755 -9.720 1.00 0.00 O ATOM 767 CB THR A 50 6.144 -2.526 -12.501 1.00 0.00 C ATOM 768 OG1 THR A 50 6.416 -3.868 -12.122 1.00 0.00 O ATOM 769 CG2 THR A 50 7.395 -1.670 -12.284 1.00 0.00 C ATOM 0 H THR A 50 5.937 -0.102 -11.313 1.00 0.00 H new ATOM 0 HA THR A 50 4.040 -2.306 -12.080 1.00 0.00 H new ATOM 0 HB THR A 50 5.864 -2.494 -13.554 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.153 -4.218 -12.664 1.00 0.00 H new ATOM 0 HG21 THR A 50 8.213 -2.062 -12.888 1.00 0.00 H new ATOM 0 HG22 THR A 50 7.187 -0.641 -12.578 1.00 0.00 H new ATOM 0 HG23 THR A 50 7.676 -1.696 -11.231 1.00 0.00 H new ATOM 777 N GLY A 51 3.988 -2.672 -9.573 1.00 0.00 N ATOM 778 CA GLY A 51 3.994 -3.190 -8.177 1.00 0.00 C ATOM 779 C GLY A 51 4.425 -2.101 -7.194 1.00 0.00 C ATOM 780 O GLY A 51 4.796 -1.007 -7.574 1.00 0.00 O ATOM 0 H GLY A 51 3.063 -2.472 -9.953 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.999 -3.550 -7.914 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.671 -4.041 -8.103 1.00 0.00 H new ATOM 784 N MET A 52 4.367 -2.404 -5.923 1.00 0.00 N ATOM 785 CA MET A 52 4.756 -1.413 -4.877 1.00 0.00 C ATOM 786 C MET A 52 5.781 -2.045 -3.936 1.00 0.00 C ATOM 787 O MET A 52 5.778 -3.239 -3.708 1.00 0.00 O ATOM 788 CB MET A 52 3.515 -1.000 -4.086 1.00 0.00 C ATOM 789 CG MET A 52 3.897 0.082 -3.077 1.00 0.00 C ATOM 790 SD MET A 52 2.398 0.776 -2.336 1.00 0.00 S ATOM 791 CE MET A 52 1.744 -0.757 -1.637 1.00 0.00 C ATOM 0 H MET A 52 4.063 -3.308 -5.562 1.00 0.00 H new ATOM 0 HA MET A 52 5.194 -0.533 -5.348 1.00 0.00 H new ATOM 0 HB2 MET A 52 2.746 -0.627 -4.762 1.00 0.00 H new ATOM 0 HB3 MET A 52 3.095 -1.863 -3.570 1.00 0.00 H new ATOM 0 HG2 MET A 52 4.537 -0.339 -2.302 1.00 0.00 H new ATOM 0 HG3 MET A 52 4.469 0.868 -3.570 1.00 0.00 H new ATOM 0 HE1 MET A 52 1.125 -0.527 -0.770 1.00 0.00 H new ATOM 0 HE2 MET A 52 1.142 -1.271 -2.386 1.00 0.00 H new ATOM 0 HE3 MET A 52 2.570 -1.400 -1.333 1.00 0.00 H new ATOM 801 N TYR A 53 6.662 -1.246 -3.394 1.00 0.00 N ATOM 802 CA TYR A 53 7.708 -1.777 -2.467 1.00 0.00 C ATOM 803 C TYR A 53 7.365 -1.393 -1.028 1.00 0.00 C ATOM 804 O TYR A 53 7.463 -0.246 -0.633 1.00 0.00 O ATOM 805 CB TYR A 53 9.060 -1.177 -2.849 1.00 0.00 C ATOM 806 CG TYR A 53 9.442 -1.649 -4.231 1.00 0.00 C ATOM 807 CD1 TYR A 53 8.938 -0.994 -5.361 1.00 0.00 C ATOM 808 CD2 TYR A 53 10.296 -2.747 -4.382 1.00 0.00 C ATOM 809 CE1 TYR A 53 9.289 -1.436 -6.642 1.00 0.00 C ATOM 810 CE2 TYR A 53 10.648 -3.190 -5.663 1.00 0.00 C ATOM 811 CZ TYR A 53 10.146 -2.535 -6.793 1.00 0.00 C ATOM 812 OH TYR A 53 10.492 -2.972 -8.055 1.00 0.00 O ATOM 0 H TYR A 53 6.703 -0.240 -3.555 1.00 0.00 H new ATOM 0 HA TYR A 53 7.750 -2.863 -2.545 1.00 0.00 H new ATOM 0 HB2 TYR A 53 9.008 -0.089 -2.825 1.00 0.00 H new ATOM 0 HB3 TYR A 53 9.820 -1.475 -2.127 1.00 0.00 H new ATOM 0 HD1 TYR A 53 8.278 -0.147 -5.244 1.00 0.00 H new ATOM 0 HD2 TYR A 53 10.684 -3.253 -3.510 1.00 0.00 H new ATOM 0 HE1 TYR A 53 8.900 -0.931 -7.513 1.00 0.00 H new ATOM 0 HE2 TYR A 53 11.307 -4.038 -5.779 1.00 0.00 H new ATOM 0 HH TYR A 53 11.093 -3.742 -7.981 1.00 0.00 H new ATOM 822 N LEU A 54 6.970 -2.355 -0.245 1.00 0.00 N ATOM 823 CA LEU A 54 6.616 -2.087 1.179 1.00 0.00 C ATOM 824 C LEU A 54 7.784 -2.490 2.067 1.00 0.00 C ATOM 825 O LEU A 54 8.149 -3.649 2.142 1.00 0.00 O ATOM 826 CB LEU A 54 5.374 -2.903 1.544 1.00 0.00 C ATOM 827 CG LEU A 54 4.172 -2.381 0.747 1.00 0.00 C ATOM 828 CD1 LEU A 54 3.014 -3.378 0.855 1.00 0.00 C ATOM 829 CD2 LEU A 54 3.723 -1.010 1.288 1.00 0.00 C ATOM 0 H LEU A 54 6.875 -3.329 -0.533 1.00 0.00 H new ATOM 0 HA LEU A 54 6.406 -1.027 1.323 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.540 -3.958 1.324 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.176 -2.827 2.613 1.00 0.00 H new ATOM 0 HG LEU A 54 4.464 -2.269 -0.297 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.160 -3.007 0.288 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.325 -4.342 0.452 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.732 -3.496 1.901 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.869 -0.653 0.712 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.438 -1.108 2.336 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.543 -0.298 1.200 1.00 0.00 H new ATOM 841 N ILE A 55 8.374 -1.536 2.740 1.00 0.00 N ATOM 842 CA ILE A 55 9.531 -1.836 3.636 1.00 0.00 C ATOM 843 C ILE A 55 9.162 -1.500 5.079 1.00 0.00 C ATOM 844 O ILE A 55 8.748 -0.399 5.390 1.00 0.00 O ATOM 845 CB ILE A 55 10.740 -1.010 3.202 1.00 0.00 C ATOM 846 CG1 ILE A 55 11.181 -1.467 1.807 1.00 0.00 C ATOM 847 CG2 ILE A 55 11.883 -1.218 4.197 1.00 0.00 C ATOM 848 CD1 ILE A 55 12.231 -0.506 1.253 1.00 0.00 C ATOM 0 H ILE A 55 8.101 -0.554 2.707 1.00 0.00 H new ATOM 0 HA ILE A 55 9.778 -2.895 3.569 1.00 0.00 H new ATOM 0 HB ILE A 55 10.476 0.047 3.175 1.00 0.00 H new ATOM 0 HG12 ILE A 55 11.590 -2.476 1.858 1.00 0.00 H new ATOM 0 HG13 ILE A 55 10.321 -1.505 1.138 1.00 0.00 H new ATOM 0 HG21 ILE A 55 12.746 -0.629 3.888 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.564 -0.901 5.190 1.00 0.00 H new ATOM 0 HG23 ILE A 55 12.155 -2.273 4.224 1.00 0.00 H new ATOM 0 HD11 ILE A 55 12.540 -0.837 0.261 1.00 0.00 H new ATOM 0 HD12 ILE A 55 11.808 0.496 1.186 1.00 0.00 H new ATOM 0 HD13 ILE A 55 13.096 -0.491 1.916 1.00 0.00 H new ATOM 860 N ASP A 56 9.305 -2.458 5.961 1.00 0.00 N ATOM 861 CA ASP A 56 8.962 -2.236 7.399 1.00 0.00 C ATOM 862 C ASP A 56 10.234 -2.063 8.229 1.00 0.00 C ATOM 863 O ASP A 56 11.316 -1.887 7.706 1.00 0.00 O ATOM 864 CB ASP A 56 8.165 -3.435 7.924 1.00 0.00 C ATOM 865 CG ASP A 56 9.007 -4.709 7.833 1.00 0.00 C ATOM 866 OD1 ASP A 56 10.193 -4.601 7.568 1.00 0.00 O ATOM 867 OD2 ASP A 56 8.448 -5.778 8.027 1.00 0.00 O ATOM 0 H ASP A 56 9.648 -3.394 5.743 1.00 0.00 H new ATOM 0 HA ASP A 56 8.362 -1.330 7.484 1.00 0.00 H new ATOM 0 HB2 ASP A 56 7.868 -3.259 8.958 1.00 0.00 H new ATOM 0 HB3 ASP A 56 7.249 -3.554 7.345 1.00 0.00 H new ATOM 872 N ASP A 57 10.099 -2.116 9.527 1.00 0.00 N ATOM 873 CA ASP A 57 11.282 -1.961 10.419 1.00 0.00 C ATOM 874 C ASP A 57 12.079 -3.266 10.448 1.00 0.00 C ATOM 875 O ASP A 57 13.140 -3.345 11.041 1.00 0.00 O ATOM 876 CB ASP A 57 10.801 -1.622 11.836 1.00 0.00 C ATOM 877 CG ASP A 57 9.785 -2.667 12.310 1.00 0.00 C ATOM 878 OD1 ASP A 57 9.392 -3.497 11.507 1.00 0.00 O ATOM 879 OD2 ASP A 57 9.410 -2.614 13.472 1.00 0.00 O ATOM 0 H ASP A 57 9.213 -2.261 10.010 1.00 0.00 H new ATOM 0 HA ASP A 57 11.920 -1.160 10.045 1.00 0.00 H new ATOM 0 HB2 ASP A 57 11.650 -1.592 12.519 1.00 0.00 H new ATOM 0 HB3 ASP A 57 10.348 -0.631 11.847 1.00 0.00 H new ATOM 884 N GLU A 58 11.575 -4.291 9.815 1.00 0.00 N ATOM 885 CA GLU A 58 12.287 -5.606 9.795 1.00 0.00 C ATOM 886 C GLU A 58 12.855 -5.869 8.399 1.00 0.00 C ATOM 887 O GLU A 58 13.947 -5.449 8.072 1.00 0.00 O ATOM 888 CB GLU A 58 11.300 -6.722 10.152 1.00 0.00 C ATOM 889 CG GLU A 58 10.882 -6.584 11.616 1.00 0.00 C ATOM 890 CD GLU A 58 9.829 -7.642 11.960 1.00 0.00 C ATOM 891 OE1 GLU A 58 9.478 -8.411 11.081 1.00 0.00 O ATOM 892 OE2 GLU A 58 9.394 -7.664 13.099 1.00 0.00 O ATOM 0 H GLU A 58 10.692 -4.275 9.305 1.00 0.00 H new ATOM 0 HA GLU A 58 13.101 -5.583 10.519 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.424 -6.668 9.506 1.00 0.00 H new ATOM 0 HB3 GLU A 58 11.760 -7.696 9.984 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.751 -6.699 12.264 1.00 0.00 H new ATOM 0 HG3 GLU A 58 10.480 -5.587 11.796 1.00 0.00 H new ATOM 899 N GLY A 59 12.119 -6.576 7.581 1.00 0.00 N ATOM 900 CA GLY A 59 12.602 -6.896 6.202 1.00 0.00 C ATOM 901 C GLY A 59 11.860 -6.061 5.160 1.00 0.00 C ATOM 902 O GLY A 59 11.481 -4.930 5.396 1.00 0.00 O ATOM 0 H GLY A 59 11.197 -6.948 7.810 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.673 -6.704 6.133 1.00 0.00 H new ATOM 0 HA3 GLY A 59 12.455 -7.956 5.997 1.00 0.00 H new ATOM 906 N GLU A 60 11.662 -6.621 3.990 1.00 0.00 N ATOM 907 CA GLU A 60 10.956 -5.885 2.903 1.00 0.00 C ATOM 908 C GLU A 60 9.972 -6.811 2.197 1.00 0.00 C ATOM 909 O GLU A 60 10.122 -8.019 2.197 1.00 0.00 O ATOM 910 CB GLU A 60 11.975 -5.345 1.893 1.00 0.00 C ATOM 911 CG GLU A 60 12.730 -6.506 1.237 1.00 0.00 C ATOM 912 CD GLU A 60 13.798 -5.951 0.290 1.00 0.00 C ATOM 913 OE1 GLU A 60 14.468 -5.007 0.674 1.00 0.00 O ATOM 914 OE2 GLU A 60 13.924 -6.476 -0.805 1.00 0.00 O ATOM 0 H GLU A 60 11.963 -7.564 3.744 1.00 0.00 H new ATOM 0 HA GLU A 60 10.407 -5.051 3.340 1.00 0.00 H new ATOM 0 HB2 GLU A 60 11.466 -4.755 1.131 1.00 0.00 H new ATOM 0 HB3 GLU A 60 12.678 -4.680 2.394 1.00 0.00 H new ATOM 0 HG2 GLU A 60 13.195 -7.129 2.001 1.00 0.00 H new ATOM 0 HG3 GLU A 60 12.035 -7.141 0.687 1.00 0.00 H new ATOM 921 N ILE A 61 8.959 -6.243 1.601 1.00 0.00 N ATOM 922 CA ILE A 61 7.931 -7.058 0.886 1.00 0.00 C ATOM 923 C ILE A 61 7.663 -6.458 -0.496 1.00 0.00 C ATOM 924 O ILE A 61 7.582 -5.256 -0.660 1.00 0.00 O ATOM 925 CB ILE A 61 6.641 -7.074 1.702 1.00 0.00 C ATOM 926 CG1 ILE A 61 6.890 -7.810 3.017 1.00 0.00 C ATOM 927 CG2 ILE A 61 5.545 -7.791 0.911 1.00 0.00 C ATOM 928 CD1 ILE A 61 5.693 -7.616 3.952 1.00 0.00 C ATOM 0 H ILE A 61 8.797 -5.236 1.578 1.00 0.00 H new ATOM 0 HA ILE A 61 8.296 -8.078 0.765 1.00 0.00 H new ATOM 0 HB ILE A 61 6.324 -6.052 1.909 1.00 0.00 H new ATOM 0 HG12 ILE A 61 7.047 -8.872 2.827 1.00 0.00 H new ATOM 0 HG13 ILE A 61 7.797 -7.434 3.489 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.624 -7.802 1.494 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.373 -7.267 -0.029 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.856 -8.815 0.704 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.874 -8.142 4.889 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.557 -6.553 4.153 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.795 -8.014 3.480 1.00 0.00 H new ATOM 940 N ILE A 62 7.527 -7.298 -1.491 1.00 0.00 N ATOM 941 CA ILE A 62 7.264 -6.809 -2.879 1.00 0.00 C ATOM 942 C ILE A 62 5.838 -7.178 -3.275 1.00 0.00 C ATOM 943 O ILE A 62 5.422 -8.313 -3.144 1.00 0.00 O ATOM 944 CB ILE A 62 8.241 -7.478 -3.849 1.00 0.00 C ATOM 945 CG1 ILE A 62 9.683 -7.246 -3.374 1.00 0.00 C ATOM 946 CG2 ILE A 62 8.060 -6.891 -5.250 1.00 0.00 C ATOM 947 CD1 ILE A 62 9.939 -5.751 -3.149 1.00 0.00 C ATOM 0 H ILE A 62 7.588 -8.312 -1.400 1.00 0.00 H new ATOM 0 HA ILE A 62 7.394 -5.727 -2.917 1.00 0.00 H new ATOM 0 HB ILE A 62 8.040 -8.549 -3.879 1.00 0.00 H new ATOM 0 HG12 ILE A 62 9.860 -7.795 -2.449 1.00 0.00 H new ATOM 0 HG13 ILE A 62 10.383 -7.634 -4.114 1.00 0.00 H new ATOM 0 HG21 ILE A 62 8.757 -7.370 -5.938 1.00 0.00 H new ATOM 0 HG22 ILE A 62 7.039 -7.066 -5.589 1.00 0.00 H new ATOM 0 HG23 ILE A 62 8.255 -5.819 -5.223 1.00 0.00 H new ATOM 0 HD11 ILE A 62 10.965 -5.604 -2.813 1.00 0.00 H new ATOM 0 HD12 ILE A 62 9.782 -5.210 -4.082 1.00 0.00 H new ATOM 0 HD13 ILE A 62 9.252 -5.374 -2.392 1.00 0.00 H new ATOM 959 N THR A 63 5.088 -6.221 -3.755 1.00 0.00 N ATOM 960 CA THR A 63 3.677 -6.488 -4.164 1.00 0.00 C ATOM 961 C THR A 63 3.503 -6.161 -5.645 1.00 0.00 C ATOM 962 O THR A 63 3.767 -5.061 -6.093 1.00 0.00 O ATOM 963 CB THR A 63 2.733 -5.616 -3.334 1.00 0.00 C ATOM 964 OG1 THR A 63 2.865 -5.960 -1.963 1.00 0.00 O ATOM 965 CG2 THR A 63 1.293 -5.855 -3.785 1.00 0.00 C ATOM 0 H THR A 63 5.396 -5.257 -3.882 1.00 0.00 H new ATOM 0 HA THR A 63 3.443 -7.539 -3.996 1.00 0.00 H new ATOM 0 HB THR A 63 2.985 -4.565 -3.473 1.00 0.00 H new ATOM 0 HG1 THR A 63 3.444 -5.307 -1.516 1.00 0.00 H new ATOM 0 HG21 THR A 63 0.619 -5.234 -3.195 1.00 0.00 H new ATOM 0 HG22 THR A 63 1.194 -5.596 -4.839 1.00 0.00 H new ATOM 0 HG23 THR A 63 1.037 -6.905 -3.643 1.00 0.00 H new ATOM 973 N ARG A 64 3.050 -7.119 -6.405 1.00 0.00 N ATOM 974 CA ARG A 64 2.841 -6.899 -7.864 1.00 0.00 C ATOM 975 C ARG A 64 1.359 -6.605 -8.113 1.00 0.00 C ATOM 976 O ARG A 64 0.966 -6.169 -9.177 1.00 0.00 O ATOM 977 CB ARG A 64 3.244 -8.171 -8.617 1.00 0.00 C ATOM 978 CG ARG A 64 3.478 -7.859 -10.106 1.00 0.00 C ATOM 979 CD ARG A 64 4.915 -7.370 -10.315 1.00 0.00 C ATOM 980 NE ARG A 64 5.143 -7.081 -11.755 1.00 0.00 N ATOM 981 CZ ARG A 64 4.745 -5.950 -12.278 1.00 0.00 C ATOM 982 NH1 ARG A 64 4.123 -5.062 -11.548 1.00 0.00 N ATOM 983 NH2 ARG A 64 4.969 -5.714 -13.538 1.00 0.00 N ATOM 0 H ARG A 64 2.813 -8.054 -6.074 1.00 0.00 H new ATOM 0 HA ARG A 64 3.444 -6.060 -8.211 1.00 0.00 H new ATOM 0 HB2 ARG A 64 4.150 -8.589 -8.179 1.00 0.00 H new ATOM 0 HB3 ARG A 64 2.464 -8.925 -8.515 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.297 -8.750 -10.706 1.00 0.00 H new ATOM 0 HG3 ARG A 64 2.773 -7.099 -10.443 1.00 0.00 H new ATOM 0 HD2 ARG A 64 5.094 -6.473 -9.722 1.00 0.00 H new ATOM 0 HD3 ARG A 64 5.620 -8.126 -9.970 1.00 0.00 H new ATOM 0 HE ARG A 64 5.614 -7.771 -12.341 1.00 0.00 H new ATOM 0 HH11 ARG A 64 3.944 -5.248 -10.561 1.00 0.00 H new ATOM 0 HH12 ARG A 64 3.817 -4.183 -11.965 1.00 0.00 H new ATOM 0 HH21 ARG A 64 5.451 -6.408 -14.109 1.00 0.00 H new ATOM 0 HH22 ARG A 64 4.662 -4.835 -13.955 1.00 0.00 H new ATOM 997 N GLU A 65 0.536 -6.842 -7.129 1.00 0.00 N ATOM 998 CA GLU A 65 -0.925 -6.581 -7.290 1.00 0.00 C ATOM 999 C GLU A 65 -1.206 -5.111 -6.986 1.00 0.00 C ATOM 1000 O GLU A 65 -1.655 -4.761 -5.911 1.00 0.00 O ATOM 1001 CB GLU A 65 -1.715 -7.466 -6.320 1.00 0.00 C ATOM 1002 CG GLU A 65 -1.536 -8.939 -6.704 1.00 0.00 C ATOM 1003 CD GLU A 65 -2.152 -9.195 -8.083 1.00 0.00 C ATOM 1004 OE1 GLU A 65 -2.963 -8.389 -8.507 1.00 0.00 O ATOM 1005 OE2 GLU A 65 -1.800 -10.193 -8.690 1.00 0.00 O ATOM 0 H GLU A 65 0.812 -7.206 -6.217 1.00 0.00 H new ATOM 0 HA GLU A 65 -1.228 -6.809 -8.312 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.370 -7.302 -5.299 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.771 -7.199 -6.347 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.477 -9.195 -6.716 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.010 -9.579 -5.959 1.00 0.00 H new ATOM 1012 N VAL A 66 -0.936 -4.248 -7.933 1.00 0.00 N ATOM 1013 CA VAL A 66 -1.171 -2.785 -7.730 1.00 0.00 C ATOM 1014 C VAL A 66 -2.092 -2.260 -8.829 1.00 0.00 C ATOM 1015 O VAL A 66 -1.909 -2.542 -9.997 1.00 0.00 O ATOM 1016 CB VAL A 66 0.166 -2.042 -7.775 1.00 0.00 C ATOM 1017 CG1 VAL A 66 -0.086 -0.530 -7.834 1.00 0.00 C ATOM 1018 CG2 VAL A 66 0.967 -2.374 -6.516 1.00 0.00 C ATOM 0 H VAL A 66 -0.559 -4.497 -8.847 1.00 0.00 H new ATOM 0 HA VAL A 66 -1.640 -2.622 -6.760 1.00 0.00 H new ATOM 0 HB VAL A 66 0.724 -2.349 -8.659 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.868 -0.003 -7.866 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.662 -0.292 -8.728 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.643 -0.219 -6.950 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.921 -1.847 -6.542 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.405 -2.064 -5.635 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.147 -3.448 -6.472 1.00 0.00 H new ATOM 1028 N LYS A 67 -3.091 -1.499 -8.453 1.00 0.00 N ATOM 1029 CA LYS A 67 -4.052 -0.944 -9.456 1.00 0.00 C ATOM 1030 C LYS A 67 -4.195 0.561 -9.254 1.00 0.00 C ATOM 1031 O LYS A 67 -4.178 1.063 -8.144 1.00 0.00 O ATOM 1032 CB LYS A 67 -5.414 -1.613 -9.270 1.00 0.00 C ATOM 1033 CG LYS A 67 -5.307 -3.118 -9.550 1.00 0.00 C ATOM 1034 CD LYS A 67 -5.291 -3.374 -11.061 1.00 0.00 C ATOM 1035 CE LYS A 67 -5.231 -4.874 -11.325 1.00 0.00 C ATOM 1036 NZ LYS A 67 -5.200 -5.104 -12.797 1.00 0.00 N ATOM 0 H LYS A 67 -3.283 -1.237 -7.486 1.00 0.00 H new ATOM 0 HA LYS A 67 -3.680 -1.138 -10.462 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.772 -1.449 -8.254 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -6.144 -1.162 -9.942 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.399 -3.516 -9.096 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.147 -3.641 -9.094 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.183 -2.949 -11.521 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -4.432 -2.880 -11.515 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -4.345 -5.304 -10.858 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -6.096 -5.369 -10.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -5.159 -6.125 -12.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.058 -4.705 -13.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -4.361 -4.642 -13.203 1.00 0.00 H new ATOM 1050 N GLY A 68 -4.329 1.281 -10.335 1.00 0.00 N ATOM 1051 CA GLY A 68 -4.464 2.763 -10.256 1.00 0.00 C ATOM 1052 C GLY A 68 -5.938 3.169 -10.285 1.00 0.00 C ATOM 1053 O GLY A 68 -6.736 2.614 -11.016 1.00 0.00 O ATOM 0 H GLY A 68 -4.351 0.900 -11.281 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -3.998 3.128 -9.341 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -3.936 3.227 -11.089 1.00 0.00 H new ATOM 1057 N LYS A 69 -6.298 4.148 -9.499 1.00 0.00 N ATOM 1058 CA LYS A 69 -7.715 4.622 -9.465 1.00 0.00 C ATOM 1059 C LYS A 69 -7.834 5.906 -10.281 1.00 0.00 C ATOM 1060 O LYS A 69 -7.171 6.898 -10.014 1.00 0.00 O ATOM 1061 CB LYS A 69 -8.117 4.890 -8.014 1.00 0.00 C ATOM 1062 CG LYS A 69 -8.093 3.584 -7.208 1.00 0.00 C ATOM 1063 CD LYS A 69 -9.364 2.770 -7.482 1.00 0.00 C ATOM 1064 CE LYS A 69 -9.348 1.497 -6.643 1.00 0.00 C ATOM 1065 NZ LYS A 69 -10.592 0.721 -6.913 1.00 0.00 N ATOM 0 H LYS A 69 -5.665 4.645 -8.872 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.373 3.864 -9.889 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.435 5.614 -7.568 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.114 5.329 -7.980 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.213 2.999 -7.475 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.017 3.806 -6.144 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.246 3.364 -7.243 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -9.426 2.519 -8.541 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -8.470 0.898 -6.885 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.282 1.745 -5.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.589 -0.149 -6.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.421 1.296 -6.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -10.635 0.474 -7.922 1.00 0.00 H new ATOM 1079 N PHE A 70 -8.679 5.882 -11.280 1.00 0.00 N ATOM 1080 CA PHE A 70 -8.868 7.074 -12.154 1.00 0.00 C ATOM 1081 C PHE A 70 -10.182 7.767 -11.818 1.00 0.00 C ATOM 1082 O PHE A 70 -11.252 7.197 -11.932 1.00 0.00 O ATOM 1083 CB PHE A 70 -8.881 6.630 -13.615 1.00 0.00 C ATOM 1084 CG PHE A 70 -7.561 5.981 -13.956 1.00 0.00 C ATOM 1085 CD1 PHE A 70 -6.483 6.769 -14.370 1.00 0.00 C ATOM 1086 CD2 PHE A 70 -7.416 4.591 -13.857 1.00 0.00 C ATOM 1087 CE1 PHE A 70 -5.258 6.169 -14.687 1.00 0.00 C ATOM 1088 CE2 PHE A 70 -6.191 3.991 -14.173 1.00 0.00 C ATOM 1089 CZ PHE A 70 -5.112 4.781 -14.590 1.00 0.00 C ATOM 0 H PHE A 70 -9.252 5.076 -11.528 1.00 0.00 H new ATOM 0 HA PHE A 70 -8.049 7.774 -11.989 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -9.698 5.929 -13.786 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -9.056 7.487 -14.265 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -6.595 7.841 -14.445 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -8.249 3.982 -13.537 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -4.425 6.778 -15.007 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -6.078 2.920 -14.095 1.00 0.00 H new ATOM 0 HZ PHE A 70 -4.168 4.319 -14.837 1.00 0.00 H new ATOM 1099 N ILE A 71 -10.097 9.002 -11.408 1.00 0.00 N ATOM 1100 CA ILE A 71 -11.315 9.790 -11.051 1.00 0.00 C ATOM 1101 C ILE A 71 -11.467 10.960 -12.026 1.00 0.00 C ATOM 1102 O ILE A 71 -10.504 11.602 -12.397 1.00 0.00 O ATOM 1103 CB ILE A 71 -11.186 10.325 -9.624 1.00 0.00 C ATOM 1104 CG1 ILE A 71 -11.182 9.150 -8.638 1.00 0.00 C ATOM 1105 CG2 ILE A 71 -12.368 11.249 -9.320 1.00 0.00 C ATOM 1106 CD1 ILE A 71 -10.814 9.650 -7.239 1.00 0.00 C ATOM 0 H ILE A 71 -9.219 9.510 -11.303 1.00 0.00 H new ATOM 0 HA ILE A 71 -12.193 9.147 -11.114 1.00 0.00 H new ATOM 0 HB ILE A 71 -10.255 10.883 -9.524 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -12.163 8.676 -8.619 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -10.469 8.393 -8.963 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -12.279 11.632 -8.303 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -12.369 12.082 -10.023 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -13.300 10.692 -9.417 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -10.812 8.812 -6.542 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -9.823 10.103 -7.264 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -11.544 10.391 -6.914 1.00 0.00 H new ATOM 1118 N ASN A 72 -12.680 11.218 -12.443 1.00 0.00 N ATOM 1119 CA ASN A 72 -12.959 12.332 -13.405 1.00 0.00 C ATOM 1120 C ASN A 72 -12.205 12.099 -14.716 1.00 0.00 C ATOM 1121 O ASN A 72 -11.780 13.025 -15.380 1.00 0.00 O ATOM 1122 CB ASN A 72 -12.554 13.682 -12.794 1.00 0.00 C ATOM 1123 CG ASN A 72 -13.520 14.039 -11.663 1.00 0.00 C ATOM 1124 OD1 ASN A 72 -14.622 13.530 -11.600 1.00 0.00 O ATOM 1125 ND2 ASN A 72 -13.145 14.898 -10.755 1.00 0.00 N ATOM 0 H ASN A 72 -13.506 10.694 -12.153 1.00 0.00 H new ATOM 0 HA ASN A 72 -14.029 12.351 -13.613 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -11.534 13.630 -12.413 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -12.569 14.459 -13.559 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -13.777 15.142 -9.992 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -12.220 15.325 -10.808 1.00 0.00 H new ATOM 1132 N GLY A 73 -12.052 10.862 -15.099 1.00 0.00 N ATOM 1133 CA GLY A 73 -11.342 10.552 -16.373 1.00 0.00 C ATOM 1134 C GLY A 73 -9.875 10.951 -16.251 1.00 0.00 C ATOM 1135 O GLY A 73 -9.217 11.262 -17.227 1.00 0.00 O ATOM 0 H GLY A 73 -12.389 10.049 -14.583 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -11.423 9.488 -16.597 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -11.808 11.088 -17.200 1.00 0.00 H new ATOM 1139 N ARG A 74 -9.349 10.941 -15.059 1.00 0.00 N ATOM 1140 CA ARG A 74 -7.917 11.311 -14.876 1.00 0.00 C ATOM 1141 C ARG A 74 -7.377 10.656 -13.595 1.00 0.00 C ATOM 1142 O ARG A 74 -8.104 10.467 -12.642 1.00 0.00 O ATOM 1143 CB ARG A 74 -7.780 12.835 -14.770 1.00 0.00 C ATOM 1144 CG ARG A 74 -8.770 13.388 -13.742 1.00 0.00 C ATOM 1145 CD ARG A 74 -8.620 14.910 -13.667 1.00 0.00 C ATOM 1146 NE ARG A 74 -9.541 15.456 -12.629 1.00 0.00 N ATOM 1147 CZ ARG A 74 -9.423 16.693 -12.221 1.00 0.00 C ATOM 1148 NH1 ARG A 74 -8.501 17.471 -12.722 1.00 0.00 N ATOM 1149 NH2 ARG A 74 -10.231 17.152 -11.306 1.00 0.00 N ATOM 0 H ARG A 74 -9.847 10.693 -14.204 1.00 0.00 H new ATOM 0 HA ARG A 74 -7.344 10.960 -15.734 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -6.762 13.096 -14.481 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -7.962 13.292 -15.743 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -9.790 13.124 -14.023 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -8.584 12.944 -12.764 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -7.590 15.172 -13.427 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -8.844 15.355 -14.636 1.00 0.00 H new ATOM 0 HE ARG A 74 -10.269 14.860 -12.234 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -7.866 17.115 -13.437 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -8.416 18.435 -12.398 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -10.951 16.547 -10.912 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -10.143 18.116 -10.985 1.00 0.00 H new ATOM 1163 N PRO A 75 -6.109 10.311 -13.569 1.00 0.00 N ATOM 1164 CA PRO A 75 -5.473 9.674 -12.378 1.00 0.00 C ATOM 1165 C PRO A 75 -5.378 10.641 -11.195 1.00 0.00 C ATOM 1166 O PRO A 75 -4.668 11.629 -11.237 1.00 0.00 O ATOM 1167 CB PRO A 75 -4.075 9.264 -12.877 1.00 0.00 C ATOM 1168 CG PRO A 75 -3.793 10.170 -14.033 1.00 0.00 C ATOM 1169 CD PRO A 75 -5.145 10.491 -14.665 1.00 0.00 C ATOM 0 HA PRO A 75 -6.053 8.829 -12.006 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -3.327 9.381 -12.093 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -4.056 8.218 -13.182 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -3.293 11.080 -13.701 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -3.132 9.688 -14.753 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -5.171 11.509 -15.054 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -5.362 9.825 -15.500 1.00 0.00 H new ATOM 1177 N THR A 76 -6.092 10.356 -10.140 1.00 0.00 N ATOM 1178 CA THR A 76 -6.064 11.234 -8.933 1.00 0.00 C ATOM 1179 C THR A 76 -5.741 10.382 -7.704 1.00 0.00 C ATOM 1180 O THR A 76 -5.388 10.893 -6.660 1.00 0.00 O ATOM 1181 CB THR A 76 -7.435 11.887 -8.755 1.00 0.00 C ATOM 1182 OG1 THR A 76 -7.838 12.479 -9.982 1.00 0.00 O ATOM 1183 CG2 THR A 76 -7.352 12.962 -7.672 1.00 0.00 C ATOM 0 H THR A 76 -6.702 9.542 -10.061 1.00 0.00 H new ATOM 0 HA THR A 76 -5.305 12.007 -9.053 1.00 0.00 H new ATOM 0 HB THR A 76 -8.163 11.131 -8.459 1.00 0.00 H new ATOM 0 HG1 THR A 76 -8.717 12.897 -9.870 1.00 0.00 H new ATOM 0 HG21 THR A 76 -8.330 13.427 -7.545 1.00 0.00 H new ATOM 0 HG22 THR A 76 -7.042 12.507 -6.731 1.00 0.00 H new ATOM 0 HG23 THR A 76 -6.625 13.719 -7.966 1.00 0.00 H new ATOM 1191 N ALA A 77 -5.858 9.083 -7.811 1.00 0.00 N ATOM 1192 CA ALA A 77 -5.555 8.218 -6.630 1.00 0.00 C ATOM 1193 C ALA A 77 -5.061 6.846 -7.091 1.00 0.00 C ATOM 1194 O ALA A 77 -5.312 6.422 -8.203 1.00 0.00 O ATOM 1195 CB ALA A 77 -6.814 8.039 -5.784 1.00 0.00 C ATOM 0 H ALA A 77 -6.147 8.588 -8.655 1.00 0.00 H new ATOM 0 HA ALA A 77 -4.778 8.699 -6.036 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.588 7.408 -4.925 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.161 9.013 -5.438 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.592 7.569 -6.385 1.00 0.00 H new ATOM 1201 N ILE A 78 -4.359 6.156 -6.230 1.00 0.00 N ATOM 1202 CA ILE A 78 -3.829 4.801 -6.574 1.00 0.00 C ATOM 1203 C ILE A 78 -4.212 3.813 -5.479 1.00 0.00 C ATOM 1204 O ILE A 78 -4.332 4.166 -4.321 1.00 0.00 O ATOM 1205 CB ILE A 78 -2.309 4.863 -6.716 1.00 0.00 C ATOM 1206 CG1 ILE A 78 -1.958 5.722 -7.932 1.00 0.00 C ATOM 1207 CG2 ILE A 78 -1.750 3.448 -6.905 1.00 0.00 C ATOM 1208 CD1 ILE A 78 -0.454 5.995 -7.957 1.00 0.00 C ATOM 0 H ILE A 78 -4.127 6.478 -5.290 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.259 4.471 -7.520 1.00 0.00 H new ATOM 0 HB ILE A 78 -1.873 5.300 -5.818 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.260 5.213 -8.847 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.507 6.663 -7.895 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -0.666 3.496 -7.006 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -2.007 2.837 -6.040 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -2.179 3.004 -7.803 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -0.210 6.607 -8.825 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -0.165 6.523 -7.048 1.00 0.00 H new ATOM 0 HD13 ILE A 78 0.086 5.050 -8.016 1.00 0.00 H new ATOM 1220 N GLU A 79 -4.421 2.573 -5.843 1.00 0.00 N ATOM 1221 CA GLU A 79 -4.821 1.538 -4.842 1.00 0.00 C ATOM 1222 C GLU A 79 -3.915 0.315 -4.976 1.00 0.00 C ATOM 1223 O GLU A 79 -3.452 -0.021 -6.050 1.00 0.00 O ATOM 1224 CB GLU A 79 -6.269 1.127 -5.114 1.00 0.00 C ATOM 1225 CG GLU A 79 -6.773 0.230 -3.981 1.00 0.00 C ATOM 1226 CD GLU A 79 -6.951 1.069 -2.718 1.00 0.00 C ATOM 1227 OE1 GLU A 79 -6.835 2.279 -2.818 1.00 0.00 O ATOM 1228 OE2 GLU A 79 -7.206 0.492 -1.676 1.00 0.00 O ATOM 0 H GLU A 79 -4.331 2.231 -6.800 1.00 0.00 H new ATOM 0 HA GLU A 79 -4.728 1.944 -3.835 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -6.899 2.013 -5.197 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -6.335 0.599 -6.065 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -7.719 -0.233 -4.261 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -6.065 -0.578 -3.798 1.00 0.00 H new ATOM 1235 N ALA A 80 -3.665 -0.357 -3.883 1.00 0.00 N ATOM 1236 CA ALA A 80 -2.794 -1.569 -3.918 1.00 0.00 C ATOM 1237 C ALA A 80 -3.388 -2.640 -3.010 1.00 0.00 C ATOM 1238 O ALA A 80 -3.978 -2.343 -1.990 1.00 0.00 O ATOM 1239 CB ALA A 80 -1.391 -1.211 -3.431 1.00 0.00 C ATOM 0 H ALA A 80 -4.029 -0.116 -2.961 1.00 0.00 H new ATOM 0 HA ALA A 80 -2.734 -1.944 -4.940 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -0.759 -2.099 -3.458 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -0.966 -0.443 -4.078 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -1.445 -0.836 -2.409 1.00 0.00 H new ATOM 1245 N THR A 81 -3.237 -3.884 -3.383 1.00 0.00 N ATOM 1246 CA THR A 81 -3.794 -5.006 -2.567 1.00 0.00 C ATOM 1247 C THR A 81 -2.672 -5.952 -2.148 1.00 0.00 C ATOM 1248 O THR A 81 -1.857 -6.367 -2.953 1.00 0.00 O ATOM 1249 CB THR A 81 -4.820 -5.772 -3.399 1.00 0.00 C ATOM 1250 OG1 THR A 81 -5.888 -4.902 -3.743 1.00 0.00 O ATOM 1251 CG2 THR A 81 -5.362 -6.948 -2.586 1.00 0.00 C ATOM 0 H THR A 81 -2.746 -4.175 -4.228 1.00 0.00 H new ATOM 0 HA THR A 81 -4.271 -4.600 -1.675 1.00 0.00 H new ATOM 0 HB THR A 81 -4.347 -6.148 -4.306 1.00 0.00 H new ATOM 0 HG1 THR A 81 -6.548 -5.390 -4.279 1.00 0.00 H new ATOM 0 HG21 THR A 81 -6.094 -7.494 -3.180 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.542 -7.614 -2.319 1.00 0.00 H new ATOM 0 HG23 THR A 81 -5.837 -6.575 -1.679 1.00 0.00 H new ATOM 1259 N VAL A 82 -2.630 -6.297 -0.886 1.00 0.00 N ATOM 1260 CA VAL A 82 -1.573 -7.220 -0.373 1.00 0.00 C ATOM 1261 C VAL A 82 -2.239 -8.494 0.152 1.00 0.00 C ATOM 1262 O VAL A 82 -3.180 -8.452 0.922 1.00 0.00 O ATOM 1263 CB VAL A 82 -0.799 -6.532 0.753 1.00 0.00 C ATOM 1264 CG1 VAL A 82 0.101 -7.552 1.458 1.00 0.00 C ATOM 1265 CG2 VAL A 82 0.065 -5.416 0.160 1.00 0.00 C ATOM 0 H VAL A 82 -3.292 -5.974 -0.181 1.00 0.00 H new ATOM 0 HA VAL A 82 -0.880 -7.476 -1.174 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.501 -6.112 1.474 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.651 -7.059 2.260 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -0.512 -8.350 1.876 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.805 -7.973 0.740 1.00 0.00 H new ATOM 0 HG21 VAL A 82 0.619 -4.922 0.958 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.765 -5.841 -0.559 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -0.574 -4.689 -0.342 1.00 0.00 H new ATOM 1275 N ILE A 83 -1.753 -9.623 -0.275 1.00 0.00 N ATOM 1276 CA ILE A 83 -2.341 -10.916 0.168 1.00 0.00 C ATOM 1277 C ILE A 83 -1.774 -11.297 1.539 1.00 0.00 C ATOM 1278 O ILE A 83 -0.575 -11.355 1.738 1.00 0.00 O ATOM 1279 CB ILE A 83 -2.004 -12.000 -0.867 1.00 0.00 C ATOM 1280 CG1 ILE A 83 -2.899 -11.829 -2.100 1.00 0.00 C ATOM 1281 CG2 ILE A 83 -2.239 -13.396 -0.268 1.00 0.00 C ATOM 1282 CD1 ILE A 83 -2.810 -10.393 -2.621 1.00 0.00 C ATOM 0 H ILE A 83 -0.966 -9.707 -0.918 1.00 0.00 H new ATOM 0 HA ILE A 83 -3.424 -10.822 0.252 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.956 -11.900 -1.151 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.593 -12.526 -2.880 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -3.931 -12.068 -1.845 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.997 -14.156 -1.011 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -1.603 -13.528 0.607 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -3.284 -13.495 0.025 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -3.450 -10.283 -3.497 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -3.138 -9.703 -1.844 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -1.779 -10.168 -2.894 1.00 0.00 H new ATOM 1294 N LEU A 84 -2.643 -11.568 2.471 1.00 0.00 N ATOM 1295 CA LEU A 84 -2.213 -11.964 3.844 1.00 0.00 C ATOM 1296 C LEU A 84 -2.783 -13.354 4.144 1.00 0.00 C ATOM 1297 O LEU A 84 -3.132 -13.671 5.264 1.00 0.00 O ATOM 1298 CB LEU A 84 -2.749 -10.943 4.847 1.00 0.00 C ATOM 1299 CG LEU A 84 -2.235 -9.544 4.479 1.00 0.00 C ATOM 1300 CD1 LEU A 84 -2.839 -8.511 5.437 1.00 0.00 C ATOM 1301 CD2 LEU A 84 -0.699 -9.503 4.579 1.00 0.00 C ATOM 0 H LEU A 84 -3.654 -11.531 2.338 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.126 -11.992 3.917 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.839 -10.954 4.845 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.429 -11.206 5.855 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.531 -9.312 3.456 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.475 -7.517 5.177 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.926 -8.532 5.356 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.546 -8.748 6.460 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.344 -8.507 4.316 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.394 -9.740 5.598 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.270 -10.234 3.893 1.00 0.00 H new ATOM 1313 N ASN A 85 -2.882 -14.182 3.138 1.00 0.00 N ATOM 1314 CA ASN A 85 -3.422 -15.558 3.342 1.00 0.00 C ATOM 1315 C ASN A 85 -2.505 -16.332 4.294 1.00 0.00 C ATOM 1316 O ASN A 85 -2.951 -17.086 5.138 1.00 0.00 O ATOM 1317 CB ASN A 85 -3.478 -16.288 1.994 1.00 0.00 C ATOM 1318 CG ASN A 85 -4.587 -15.694 1.127 1.00 0.00 C ATOM 1319 OD1 ASN A 85 -5.458 -15.005 1.621 1.00 0.00 O ATOM 1320 ND2 ASN A 85 -4.600 -15.937 -0.157 1.00 0.00 N ATOM 0 H ASN A 85 -2.611 -13.963 2.179 1.00 0.00 H new ATOM 0 HA ASN A 85 -4.423 -15.494 3.769 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -2.519 -16.201 1.483 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -3.659 -17.351 2.153 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -5.340 -15.549 -0.742 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -3.870 -16.515 -0.574 1.00 0.00 H new ATOM 1327 N SER A 86 -1.219 -16.165 4.148 1.00 0.00 N ATOM 1328 CA SER A 86 -0.261 -16.899 5.027 1.00 0.00 C ATOM 1329 C SER A 86 -0.325 -16.342 6.455 1.00 0.00 C ATOM 1330 O SER A 86 -0.535 -15.164 6.671 1.00 0.00 O ATOM 1331 CB SER A 86 1.153 -16.739 4.466 1.00 0.00 C ATOM 1332 OG SER A 86 1.108 -16.868 3.054 1.00 0.00 O ATOM 0 H SER A 86 -0.788 -15.551 3.457 1.00 0.00 H new ATOM 0 HA SER A 86 -0.527 -17.956 5.054 1.00 0.00 H new ATOM 0 HB2 SER A 86 1.560 -15.766 4.742 1.00 0.00 H new ATOM 0 HB3 SER A 86 1.814 -17.493 4.892 1.00 0.00 H new ATOM 0 HG SER A 86 2.011 -16.765 2.687 1.00 0.00 H new ATOM 1338 N GLN A 87 -0.149 -17.192 7.428 1.00 0.00 N ATOM 1339 CA GLN A 87 -0.205 -16.742 8.850 1.00 0.00 C ATOM 1340 C GLN A 87 1.041 -15.904 9.195 1.00 0.00 C ATOM 1341 O GLN A 87 0.934 -14.846 9.783 1.00 0.00 O ATOM 1342 CB GLN A 87 -0.300 -17.988 9.764 1.00 0.00 C ATOM 1343 CG GLN A 87 -1.583 -17.952 10.594 1.00 0.00 C ATOM 1344 CD GLN A 87 -2.791 -18.046 9.660 1.00 0.00 C ATOM 1345 OE1 GLN A 87 -2.681 -18.529 8.549 1.00 0.00 O ATOM 1346 NE2 GLN A 87 -3.944 -17.595 10.065 1.00 0.00 N ATOM 0 H GLN A 87 0.033 -18.187 7.299 1.00 0.00 H new ATOM 0 HA GLN A 87 -1.082 -16.114 9.005 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -0.279 -18.893 9.157 1.00 0.00 H new ATOM 0 HB3 GLN A 87 0.566 -18.027 10.425 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -1.593 -18.778 11.305 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -1.628 -17.031 11.175 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -4.035 -17.190 10.997 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -4.756 -17.647 9.450 1.00 0.00 H new ATOM 1355 N PRO A 88 2.214 -16.373 8.847 1.00 0.00 N ATOM 1356 CA PRO A 88 3.481 -15.639 9.139 1.00 0.00 C ATOM 1357 C PRO A 88 3.447 -14.204 8.596 1.00 0.00 C ATOM 1358 O PRO A 88 4.021 -13.293 9.163 1.00 0.00 O ATOM 1359 CB PRO A 88 4.562 -16.463 8.419 1.00 0.00 C ATOM 1360 CG PRO A 88 3.980 -17.831 8.263 1.00 0.00 C ATOM 1361 CD PRO A 88 2.468 -17.636 8.134 1.00 0.00 C ATOM 0 HA PRO A 88 3.658 -15.542 10.210 1.00 0.00 H new ATOM 0 HB2 PRO A 88 4.808 -16.028 7.450 1.00 0.00 H new ATOM 0 HB3 PRO A 88 5.485 -16.492 8.999 1.00 0.00 H new ATOM 0 HG2 PRO A 88 4.385 -18.329 7.382 1.00 0.00 H new ATOM 0 HG3 PRO A 88 4.220 -18.457 9.122 1.00 0.00 H new ATOM 0 HD2 PRO A 88 2.160 -17.575 7.090 1.00 0.00 H new ATOM 0 HD3 PRO A 88 1.918 -18.465 8.580 1.00 0.00 H new ATOM 1369 N GLU A 89 2.788 -14.011 7.488 1.00 0.00 N ATOM 1370 CA GLU A 89 2.713 -12.651 6.874 1.00 0.00 C ATOM 1371 C GLU A 89 1.921 -11.708 7.790 1.00 0.00 C ATOM 1372 O GLU A 89 2.230 -10.540 7.917 1.00 0.00 O ATOM 1373 CB GLU A 89 2.013 -12.760 5.508 1.00 0.00 C ATOM 1374 CG GLU A 89 3.037 -13.041 4.403 1.00 0.00 C ATOM 1375 CD GLU A 89 3.749 -14.365 4.686 1.00 0.00 C ATOM 1376 OE1 GLU A 89 4.366 -14.470 5.732 1.00 0.00 O ATOM 1377 OE2 GLU A 89 3.670 -15.251 3.850 1.00 0.00 O ATOM 0 H GLU A 89 2.293 -14.741 6.976 1.00 0.00 H new ATOM 0 HA GLU A 89 3.718 -12.251 6.743 1.00 0.00 H new ATOM 0 HB2 GLU A 89 1.270 -13.557 5.536 1.00 0.00 H new ATOM 0 HB3 GLU A 89 1.479 -11.835 5.291 1.00 0.00 H new ATOM 0 HG2 GLU A 89 2.539 -13.084 3.434 1.00 0.00 H new ATOM 0 HG3 GLU A 89 3.763 -12.230 4.352 1.00 0.00 H new ATOM 1384 N TRP A 90 0.900 -12.209 8.419 1.00 0.00 N ATOM 1385 CA TRP A 90 0.080 -11.348 9.320 1.00 0.00 C ATOM 1386 C TRP A 90 0.951 -10.804 10.459 1.00 0.00 C ATOM 1387 O TRP A 90 0.830 -9.662 10.862 1.00 0.00 O ATOM 1388 CB TRP A 90 -1.074 -12.183 9.901 1.00 0.00 C ATOM 1389 CG TRP A 90 -2.244 -12.146 8.972 1.00 0.00 C ATOM 1390 CD1 TRP A 90 -2.635 -13.159 8.166 1.00 0.00 C ATOM 1391 CD2 TRP A 90 -3.175 -11.052 8.744 1.00 0.00 C ATOM 1392 NE1 TRP A 90 -3.751 -12.753 7.456 1.00 0.00 N ATOM 1393 CE2 TRP A 90 -4.124 -11.463 7.782 1.00 0.00 C ATOM 1394 CE3 TRP A 90 -3.289 -9.760 9.283 1.00 0.00 C ATOM 1395 CZ2 TRP A 90 -5.145 -10.612 7.357 1.00 0.00 C ATOM 1396 CZ3 TRP A 90 -4.316 -8.901 8.858 1.00 0.00 C ATOM 1397 CH2 TRP A 90 -5.246 -9.329 7.902 1.00 0.00 C ATOM 0 H TRP A 90 0.594 -13.180 8.350 1.00 0.00 H new ATOM 0 HA TRP A 90 -0.323 -10.509 8.753 1.00 0.00 H new ATOM 0 HB2 TRP A 90 -0.750 -13.213 10.051 1.00 0.00 H new ATOM 0 HB3 TRP A 90 -1.361 -11.793 10.878 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -2.156 -14.124 8.089 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -4.239 -13.335 6.775 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -2.583 -9.425 10.028 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -5.853 -10.943 6.611 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -4.389 -7.906 9.270 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -6.040 -8.668 7.586 1.00 0.00 H new ATOM 1408 N ASP A 91 1.822 -11.615 10.981 1.00 0.00 N ATOM 1409 CA ASP A 91 2.698 -11.154 12.096 1.00 0.00 C ATOM 1410 C ASP A 91 3.568 -9.988 11.617 1.00 0.00 C ATOM 1411 O ASP A 91 3.635 -8.944 12.236 1.00 0.00 O ATOM 1412 CB ASP A 91 3.600 -12.312 12.525 1.00 0.00 C ATOM 1413 CG ASP A 91 4.514 -11.862 13.668 1.00 0.00 C ATOM 1414 OD1 ASP A 91 3.995 -11.538 14.722 1.00 0.00 O ATOM 1415 OD2 ASP A 91 5.716 -11.856 13.467 1.00 0.00 O ATOM 0 H ASP A 91 1.968 -12.580 10.685 1.00 0.00 H new ATOM 0 HA ASP A 91 2.085 -10.826 12.935 1.00 0.00 H new ATOM 0 HB2 ASP A 91 2.993 -13.159 12.845 1.00 0.00 H new ATOM 0 HB3 ASP A 91 4.199 -12.651 11.680 1.00 0.00 H new ATOM 1420 N ARG A 92 4.233 -10.168 10.512 1.00 0.00 N ATOM 1421 CA ARG A 92 5.102 -9.083 9.968 1.00 0.00 C ATOM 1422 C ARG A 92 4.226 -7.919 9.491 1.00 0.00 C ATOM 1423 O ARG A 92 4.522 -6.762 9.720 1.00 0.00 O ATOM 1424 CB ARG A 92 5.908 -9.632 8.789 1.00 0.00 C ATOM 1425 CG ARG A 92 6.869 -8.554 8.276 1.00 0.00 C ATOM 1426 CD ARG A 92 7.670 -9.100 7.093 1.00 0.00 C ATOM 1427 NE ARG A 92 8.571 -10.195 7.556 1.00 0.00 N ATOM 1428 CZ ARG A 92 9.749 -9.924 8.058 1.00 0.00 C ATOM 1429 NH1 ARG A 92 10.159 -8.690 8.169 1.00 0.00 N ATOM 1430 NH2 ARG A 92 10.519 -10.900 8.451 1.00 0.00 N ATOM 0 H ARG A 92 4.214 -11.024 9.957 1.00 0.00 H new ATOM 0 HA ARG A 92 5.781 -8.730 10.744 1.00 0.00 H new ATOM 0 HB2 ARG A 92 6.468 -10.515 9.098 1.00 0.00 H new ATOM 0 HB3 ARG A 92 5.236 -9.944 7.990 1.00 0.00 H new ATOM 0 HG2 ARG A 92 6.310 -7.669 7.972 1.00 0.00 H new ATOM 0 HG3 ARG A 92 7.544 -8.245 9.074 1.00 0.00 H new ATOM 0 HD2 ARG A 92 6.993 -9.474 6.325 1.00 0.00 H new ATOM 0 HD3 ARG A 92 8.257 -8.301 6.639 1.00 0.00 H new ATOM 0 HE ARG A 92 8.266 -11.165 7.481 1.00 0.00 H new ATOM 0 HH11 ARG A 92 9.559 -7.924 7.863 1.00 0.00 H new ATOM 0 HH12 ARG A 92 11.079 -8.492 8.562 1.00 0.00 H new ATOM 0 HH21 ARG A 92 10.202 -11.866 8.366 1.00 0.00 H new ATOM 0 HH22 ARG A 92 11.439 -10.698 8.843 1.00 0.00 H new ATOM 1444 N PHE A 93 3.148 -8.227 8.828 1.00 0.00 N ATOM 1445 CA PHE A 93 2.233 -7.158 8.327 1.00 0.00 C ATOM 1446 C PHE A 93 1.663 -6.374 9.512 1.00 0.00 C ATOM 1447 O PHE A 93 1.579 -5.159 9.492 1.00 0.00 O ATOM 1448 CB PHE A 93 1.082 -7.798 7.550 1.00 0.00 C ATOM 1449 CG PHE A 93 0.217 -6.716 6.946 1.00 0.00 C ATOM 1450 CD1 PHE A 93 0.649 -6.037 5.802 1.00 0.00 C ATOM 1451 CD2 PHE A 93 -1.016 -6.393 7.528 1.00 0.00 C ATOM 1452 CE1 PHE A 93 -0.148 -5.033 5.240 1.00 0.00 C ATOM 1453 CE2 PHE A 93 -1.813 -5.389 6.965 1.00 0.00 C ATOM 1454 CZ PHE A 93 -1.378 -4.709 5.822 1.00 0.00 C ATOM 0 H PHE A 93 2.857 -9.180 8.609 1.00 0.00 H new ATOM 0 HA PHE A 93 2.788 -6.484 7.675 1.00 0.00 H new ATOM 0 HB2 PHE A 93 1.474 -8.445 6.765 1.00 0.00 H new ATOM 0 HB3 PHE A 93 0.487 -8.426 8.213 1.00 0.00 H new ATOM 0 HD1 PHE A 93 1.598 -6.288 5.352 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -1.351 -6.918 8.410 1.00 0.00 H new ATOM 0 HE1 PHE A 93 0.187 -4.509 4.357 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -2.764 -5.139 7.413 1.00 0.00 H new ATOM 0 HZ PHE A 93 -1.992 -3.934 5.389 1.00 0.00 H new ATOM 1464 N MET A 94 1.269 -7.066 10.541 1.00 0.00 N ATOM 1465 CA MET A 94 0.698 -6.382 11.736 1.00 0.00 C ATOM 1466 C MET A 94 1.732 -5.404 12.302 1.00 0.00 C ATOM 1467 O MET A 94 1.416 -4.291 12.678 1.00 0.00 O ATOM 1468 CB MET A 94 0.369 -7.430 12.804 1.00 0.00 C ATOM 1469 CG MET A 94 -0.277 -6.751 14.012 1.00 0.00 C ATOM 1470 SD MET A 94 -0.768 -8.006 15.222 1.00 0.00 S ATOM 1471 CE MET A 94 -1.607 -6.892 16.377 1.00 0.00 C ATOM 0 H MET A 94 1.317 -8.083 10.608 1.00 0.00 H new ATOM 0 HA MET A 94 -0.205 -5.842 11.452 1.00 0.00 H new ATOM 0 HB2 MET A 94 -0.305 -8.182 12.394 1.00 0.00 H new ATOM 0 HB3 MET A 94 1.277 -7.949 13.109 1.00 0.00 H new ATOM 0 HG2 MET A 94 0.423 -6.049 14.465 1.00 0.00 H new ATOM 0 HG3 MET A 94 -1.147 -6.175 13.696 1.00 0.00 H new ATOM 0 HE1 MET A 94 -1.996 -7.466 17.218 1.00 0.00 H new ATOM 0 HE2 MET A 94 -0.900 -6.147 16.742 1.00 0.00 H new ATOM 0 HE3 MET A 94 -2.430 -6.392 15.867 1.00 0.00 H new ATOM 1481 N ARG A 95 2.964 -5.814 12.355 1.00 0.00 N ATOM 1482 CA ARG A 95 4.031 -4.917 12.885 1.00 0.00 C ATOM 1483 C ARG A 95 4.195 -3.712 11.955 1.00 0.00 C ATOM 1484 O ARG A 95 4.366 -2.589 12.392 1.00 0.00 O ATOM 1485 CB ARG A 95 5.350 -5.686 12.949 1.00 0.00 C ATOM 1486 CG ARG A 95 5.285 -6.725 14.071 1.00 0.00 C ATOM 1487 CD ARG A 95 6.601 -7.502 14.124 1.00 0.00 C ATOM 1488 NE ARG A 95 6.537 -8.521 15.212 1.00 0.00 N ATOM 1489 CZ ARG A 95 6.872 -8.210 16.439 1.00 0.00 C ATOM 1490 NH1 ARG A 95 7.254 -6.995 16.732 1.00 0.00 N ATOM 1491 NH2 ARG A 95 6.821 -9.117 17.373 1.00 0.00 N ATOM 0 H ARG A 95 3.283 -6.735 12.054 1.00 0.00 H new ATOM 0 HA ARG A 95 3.755 -4.573 13.882 1.00 0.00 H new ATOM 0 HB2 ARG A 95 5.543 -6.177 11.995 1.00 0.00 H new ATOM 0 HB3 ARG A 95 6.176 -4.997 13.125 1.00 0.00 H new ATOM 0 HG2 ARG A 95 5.102 -6.233 15.026 1.00 0.00 H new ATOM 0 HG3 ARG A 95 4.453 -7.409 13.900 1.00 0.00 H new ATOM 0 HD2 ARG A 95 6.786 -7.989 13.167 1.00 0.00 H new ATOM 0 HD3 ARG A 95 7.432 -6.819 14.300 1.00 0.00 H new ATOM 0 HE ARG A 95 6.229 -9.470 14.998 1.00 0.00 H new ATOM 0 HH11 ARG A 95 7.292 -6.283 16.003 1.00 0.00 H new ATOM 0 HH12 ARG A 95 7.514 -6.759 17.690 1.00 0.00 H new ATOM 0 HH21 ARG A 95 6.521 -10.065 17.147 1.00 0.00 H new ATOM 0 HH22 ARG A 95 7.081 -8.879 18.330 1.00 0.00 H new ATOM 1505 N PHE A 96 4.138 -3.937 10.672 1.00 0.00 N ATOM 1506 CA PHE A 96 4.281 -2.809 9.706 1.00 0.00 C ATOM 1507 C PHE A 96 3.144 -1.806 9.928 1.00 0.00 C ATOM 1508 O PHE A 96 3.355 -0.611 10.023 1.00 0.00 O ATOM 1509 CB PHE A 96 4.203 -3.366 8.280 1.00 0.00 C ATOM 1510 CG PHE A 96 4.099 -2.226 7.285 1.00 0.00 C ATOM 1511 CD1 PHE A 96 5.154 -1.319 7.151 1.00 0.00 C ATOM 1512 CD2 PHE A 96 2.945 -2.078 6.503 1.00 0.00 C ATOM 1513 CE1 PHE A 96 5.058 -0.262 6.237 1.00 0.00 C ATOM 1514 CE2 PHE A 96 2.849 -1.021 5.590 1.00 0.00 C ATOM 1515 CZ PHE A 96 3.905 -0.114 5.456 1.00 0.00 C ATOM 0 H PHE A 96 3.998 -4.854 10.249 1.00 0.00 H new ATOM 0 HA PHE A 96 5.238 -2.309 9.854 1.00 0.00 H new ATOM 0 HB2 PHE A 96 5.087 -3.967 8.066 1.00 0.00 H new ATOM 0 HB3 PHE A 96 3.339 -4.024 8.184 1.00 0.00 H new ATOM 0 HD1 PHE A 96 6.044 -1.433 7.753 1.00 0.00 H new ATOM 0 HD2 PHE A 96 2.130 -2.779 6.605 1.00 0.00 H new ATOM 0 HE1 PHE A 96 5.873 0.439 6.135 1.00 0.00 H new ATOM 0 HE2 PHE A 96 1.959 -0.906 4.989 1.00 0.00 H new ATOM 0 HZ PHE A 96 3.831 0.700 4.750 1.00 0.00 H new ATOM 1525 N MET A 97 1.941 -2.291 10.011 1.00 0.00 N ATOM 1526 CA MET A 97 0.775 -1.391 10.228 1.00 0.00 C ATOM 1527 C MET A 97 0.849 -0.781 11.633 1.00 0.00 C ATOM 1528 O MET A 97 0.530 0.373 11.844 1.00 0.00 O ATOM 1529 CB MET A 97 -0.516 -2.197 10.096 1.00 0.00 C ATOM 1530 CG MET A 97 -1.714 -1.261 10.259 1.00 0.00 C ATOM 1531 SD MET A 97 -3.244 -2.174 9.919 1.00 0.00 S ATOM 1532 CE MET A 97 -4.065 -1.877 11.505 1.00 0.00 C ATOM 0 H MET A 97 1.711 -3.282 9.937 1.00 0.00 H new ATOM 0 HA MET A 97 0.790 -0.594 9.485 1.00 0.00 H new ATOM 0 HB2 MET A 97 -0.554 -2.689 9.124 1.00 0.00 H new ATOM 0 HB3 MET A 97 -0.547 -2.982 10.852 1.00 0.00 H new ATOM 0 HG2 MET A 97 -1.737 -0.855 11.270 1.00 0.00 H new ATOM 0 HG3 MET A 97 -1.624 -0.415 9.578 1.00 0.00 H new ATOM 0 HE1 MET A 97 -5.041 -2.362 11.506 1.00 0.00 H new ATOM 0 HE2 MET A 97 -3.456 -2.285 12.312 1.00 0.00 H new ATOM 0 HE3 MET A 97 -4.193 -0.805 11.653 1.00 0.00 H new ATOM 1542 N GLU A 98 1.257 -1.560 12.594 1.00 0.00 N ATOM 1543 CA GLU A 98 1.345 -1.046 13.992 1.00 0.00 C ATOM 1544 C GLU A 98 2.396 0.065 14.061 1.00 0.00 C ATOM 1545 O GLU A 98 2.167 1.125 14.611 1.00 0.00 O ATOM 1546 CB GLU A 98 1.758 -2.195 14.916 1.00 0.00 C ATOM 1547 CG GLU A 98 1.756 -1.729 16.377 1.00 0.00 C ATOM 1548 CD GLU A 98 0.327 -1.387 16.800 1.00 0.00 C ATOM 1549 OE1 GLU A 98 -0.590 -1.855 16.147 1.00 0.00 O ATOM 1550 OE2 GLU A 98 0.175 -0.660 17.767 1.00 0.00 O ATOM 0 H GLU A 98 1.535 -2.534 12.473 1.00 0.00 H new ATOM 0 HA GLU A 98 0.379 -0.648 14.303 1.00 0.00 H new ATOM 0 HB2 GLU A 98 1.073 -3.034 14.794 1.00 0.00 H new ATOM 0 HB3 GLU A 98 2.751 -2.552 14.642 1.00 0.00 H new ATOM 0 HG2 GLU A 98 2.160 -2.511 17.020 1.00 0.00 H new ATOM 0 HG3 GLU A 98 2.400 -0.857 16.493 1.00 0.00 H new ATOM 1557 N ARG A 99 3.547 -0.175 13.506 1.00 0.00 N ATOM 1558 CA ARG A 99 4.621 0.858 13.536 1.00 0.00 C ATOM 1559 C ARG A 99 4.203 2.056 12.681 1.00 0.00 C ATOM 1560 O ARG A 99 4.393 3.200 13.047 1.00 0.00 O ATOM 1561 CB ARG A 99 5.910 0.263 12.963 1.00 0.00 C ATOM 1562 CG ARG A 99 7.102 1.189 13.278 1.00 0.00 C ATOM 1563 CD ARG A 99 7.673 0.843 14.656 1.00 0.00 C ATOM 1564 NE ARG A 99 8.767 1.793 14.997 1.00 0.00 N ATOM 1565 CZ ARG A 99 10.002 1.537 14.661 1.00 0.00 C ATOM 1566 NH1 ARG A 99 10.299 0.445 14.006 1.00 0.00 N ATOM 1567 NH2 ARG A 99 10.940 2.380 14.980 1.00 0.00 N ATOM 0 H ARG A 99 3.794 -1.043 13.031 1.00 0.00 H new ATOM 0 HA ARG A 99 4.785 1.180 14.564 1.00 0.00 H new ATOM 0 HB2 ARG A 99 6.084 -0.726 13.388 1.00 0.00 H new ATOM 0 HB3 ARG A 99 5.813 0.134 11.885 1.00 0.00 H new ATOM 0 HG2 ARG A 99 7.873 1.078 12.516 1.00 0.00 H new ATOM 0 HG3 ARG A 99 6.781 2.231 13.257 1.00 0.00 H new ATOM 0 HD2 ARG A 99 6.887 0.893 15.409 1.00 0.00 H new ATOM 0 HD3 ARG A 99 8.052 -0.179 14.658 1.00 0.00 H new ATOM 0 HE ARG A 99 8.549 2.654 15.499 1.00 0.00 H new ATOM 0 HH11 ARG A 99 9.563 -0.215 13.754 1.00 0.00 H new ATOM 0 HH12 ARG A 99 11.267 0.253 13.747 1.00 0.00 H new ATOM 0 HH21 ARG A 99 10.708 3.233 15.489 1.00 0.00 H new ATOM 0 HH22 ARG A 99 11.908 2.188 14.721 1.00 0.00 H new ATOM 1581 N TYR A 100 3.637 1.792 11.538 1.00 0.00 N ATOM 1582 CA TYR A 100 3.196 2.897 10.639 1.00 0.00 C ATOM 1583 C TYR A 100 2.146 3.747 11.359 1.00 0.00 C ATOM 1584 O TYR A 100 2.194 4.962 11.357 1.00 0.00 O ATOM 1585 CB TYR A 100 2.580 2.293 9.376 1.00 0.00 C ATOM 1586 CG TYR A 100 2.003 3.393 8.515 1.00 0.00 C ATOM 1587 CD1 TYR A 100 2.801 4.024 7.555 1.00 0.00 C ATOM 1588 CD2 TYR A 100 0.666 3.780 8.679 1.00 0.00 C ATOM 1589 CE1 TYR A 100 2.264 5.041 6.758 1.00 0.00 C ATOM 1590 CE2 TYR A 100 0.130 4.798 7.883 1.00 0.00 C ATOM 1591 CZ TYR A 100 0.929 5.429 6.922 1.00 0.00 C ATOM 1592 OH TYR A 100 0.400 6.434 6.139 1.00 0.00 O ATOM 0 H TYR A 100 3.459 0.852 11.184 1.00 0.00 H new ATOM 0 HA TYR A 100 4.049 3.521 10.373 1.00 0.00 H new ATOM 0 HB2 TYR A 100 3.337 1.741 8.819 1.00 0.00 H new ATOM 0 HB3 TYR A 100 1.800 1.581 9.645 1.00 0.00 H new ATOM 0 HD1 TYR A 100 3.831 3.726 7.429 1.00 0.00 H new ATOM 0 HD2 TYR A 100 0.050 3.292 9.420 1.00 0.00 H new ATOM 0 HE1 TYR A 100 2.880 5.527 6.016 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -0.900 5.097 8.010 1.00 0.00 H new ATOM 0 HH TYR A 100 -0.497 6.177 5.839 1.00 0.00 H new ATOM 1602 N GLY A 101 1.198 3.103 11.974 1.00 0.00 N ATOM 1603 CA GLY A 101 0.131 3.842 12.705 1.00 0.00 C ATOM 1604 C GLY A 101 0.744 4.596 13.888 1.00 0.00 C ATOM 1605 O GLY A 101 0.269 5.643 14.293 1.00 0.00 O ATOM 0 H GLY A 101 1.114 2.087 12.003 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -0.366 4.542 12.033 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -0.629 3.146 13.059 1.00 0.00 H new ATOM 1609 N ALA A 102 1.790 4.064 14.450 1.00 0.00 N ATOM 1610 CA ALA A 102 2.443 4.730 15.614 1.00 0.00 C ATOM 1611 C ALA A 102 3.029 6.076 15.180 1.00 0.00 C ATOM 1612 O ALA A 102 2.968 7.057 15.898 1.00 0.00 O ATOM 1613 CB ALA A 102 3.569 3.835 16.132 1.00 0.00 C ATOM 0 H ALA A 102 2.226 3.191 14.153 1.00 0.00 H new ATOM 0 HA ALA A 102 1.705 4.895 16.399 1.00 0.00 H new ATOM 0 HB1 ALA A 102 4.052 4.314 16.983 1.00 0.00 H new ATOM 0 HB2 ALA A 102 3.157 2.875 16.442 1.00 0.00 H new ATOM 0 HB3 ALA A 102 4.302 3.677 15.341 1.00 0.00 H new ATOM 1619 N GLU A 103 3.600 6.131 14.009 1.00 0.00 N ATOM 1620 CA GLU A 103 4.192 7.409 13.513 1.00 0.00 C ATOM 1621 C GLU A 103 3.127 8.214 12.757 1.00 0.00 C ATOM 1622 O GLU A 103 3.276 9.398 12.524 1.00 0.00 O ATOM 1623 CB GLU A 103 5.362 7.092 12.574 1.00 0.00 C ATOM 1624 CG GLU A 103 4.882 6.182 11.438 1.00 0.00 C ATOM 1625 CD GLU A 103 6.038 5.919 10.467 1.00 0.00 C ATOM 1626 OE1 GLU A 103 7.065 6.561 10.614 1.00 0.00 O ATOM 1627 OE2 GLU A 103 5.871 5.089 9.588 1.00 0.00 O ATOM 0 H GLU A 103 3.683 5.341 13.369 1.00 0.00 H new ATOM 0 HA GLU A 103 4.550 7.997 14.358 1.00 0.00 H new ATOM 0 HB2 GLU A 103 5.772 8.015 12.165 1.00 0.00 H new ATOM 0 HB3 GLU A 103 6.164 6.605 13.129 1.00 0.00 H new ATOM 0 HG2 GLU A 103 4.513 5.240 11.844 1.00 0.00 H new ATOM 0 HG3 GLU A 103 4.050 6.649 10.911 1.00 0.00 H new ATOM 1634 N ASN A 104 2.053 7.574 12.369 1.00 0.00 N ATOM 1635 CA ASN A 104 0.970 8.279 11.620 1.00 0.00 C ATOM 1636 C ASN A 104 -0.211 8.553 12.555 1.00 0.00 C ATOM 1637 O ASN A 104 -0.528 7.774 13.434 1.00 0.00 O ATOM 1638 CB ASN A 104 0.503 7.410 10.447 1.00 0.00 C ATOM 1639 CG ASN A 104 1.588 7.369 9.367 1.00 0.00 C ATOM 1640 OD1 ASN A 104 1.845 8.358 8.708 1.00 0.00 O ATOM 1641 ND2 ASN A 104 2.240 6.258 9.154 1.00 0.00 N ATOM 0 H ASN A 104 1.879 6.584 12.541 1.00 0.00 H new ATOM 0 HA ASN A 104 1.356 9.224 11.239 1.00 0.00 H new ATOM 0 HB2 ASN A 104 0.285 6.400 10.795 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -0.422 7.811 10.031 1.00 0.00 H new ATOM 0 HD21 ASN A 104 2.963 6.221 8.436 1.00 0.00 H new ATOM 0 HD22 ASN A 104 2.026 5.427 9.706 1.00 0.00 H new