USER MOD reduce.3.24.130724 H: found=0, std=0, add=417, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 418 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 37 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= -1.46 X(o=-1.5,f=-1.7!) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc=-0.00262 USER MOD Single : A 23 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 26 LYS NZ :NH3+ -142:sc= -0.0745 (180deg=-1.63) USER MOD Single : A 29 ASN :FLIP amide:sc= -0.27 F(o=-2.2,f=-0.27) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0.4) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N GLU A 2 -0.678 -9.707 -3.369 1.00 0.00 N ATOM 21 CA GLU A 2 -1.355 -9.100 -2.225 1.00 0.00 C ATOM 22 C GLU A 2 -0.357 -8.753 -1.119 1.00 0.00 C ATOM 23 O GLU A 2 0.633 -9.460 -0.928 1.00 0.00 O ATOM 24 CB GLU A 2 -2.440 -10.042 -1.698 1.00 0.00 C ATOM 25 CG GLU A 2 -3.503 -10.379 -2.730 1.00 0.00 C ATOM 26 CD GLU A 2 -3.542 -11.854 -3.084 1.00 0.00 C ATOM 27 OE1 GLU A 2 -2.635 -12.313 -3.810 1.00 0.00 O ATOM 28 OE2 GLU A 2 -4.480 -12.547 -2.637 1.00 0.00 O ATOM 0 HA GLU A 2 -1.824 -8.173 -2.553 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -1.973 -10.965 -1.354 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -2.918 -9.585 -0.832 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -4.479 -10.077 -2.350 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -3.320 -9.799 -3.635 1.00 0.00 H new ATOM 35 N ALA A 3 -0.612 -7.665 -0.391 1.00 0.00 N ATOM 36 CA ALA A 3 0.263 -7.208 0.685 1.00 0.00 C ATOM 37 C ALA A 3 -0.539 -6.616 1.848 1.00 0.00 C ATOM 38 O ALA A 3 -1.537 -5.917 1.633 1.00 0.00 O ATOM 39 CB ALA A 3 1.221 -6.156 0.139 1.00 0.00 C ATOM 0 H ALA A 3 -1.433 -7.076 -0.532 1.00 0.00 H new ATOM 0 HA ALA A 3 0.818 -8.067 1.063 1.00 0.00 H new ATOM 0 HB1 ALA A 3 1.877 -5.811 0.938 1.00 0.00 H new ATOM 0 HB2 ALA A 3 1.821 -6.590 -0.661 1.00 0.00 H new ATOM 0 HB3 ALA A 3 0.651 -5.313 -0.252 1.00 0.00 H new ATOM 45 N ILE A 4 -0.054 -6.807 3.071 1.00 0.00 N ATOM 46 CA ILE A 4 -0.694 -6.231 4.247 1.00 0.00 C ATOM 47 C ILE A 4 0.135 -5.044 4.727 1.00 0.00 C ATOM 48 O ILE A 4 1.323 -4.967 4.415 1.00 0.00 O ATOM 49 CB ILE A 4 -0.851 -7.270 5.379 1.00 0.00 C ATOM 50 CG1 ILE A 4 -1.753 -6.716 6.488 1.00 0.00 C ATOM 51 CG2 ILE A 4 0.505 -7.673 5.937 1.00 0.00 C ATOM 52 CD1 ILE A 4 -2.801 -7.699 6.962 1.00 0.00 C ATOM 0 H ILE A 4 0.781 -7.357 3.273 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.696 -5.901 3.973 1.00 0.00 H new ATOM 0 HB ILE A 4 -1.321 -8.162 4.964 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -1.134 -6.421 7.335 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -2.249 -5.815 6.126 1.00 0.00 H new ATOM 0 HG21 ILE A 4 0.368 -8.405 6.733 1.00 0.00 H new ATOM 0 HG22 ILE A 4 1.110 -8.109 5.142 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.010 -6.794 6.336 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -3.402 -7.240 7.746 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -3.444 -7.976 6.127 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -2.312 -8.591 7.355 1.00 0.00 H new ATOM 64 N ALA A 5 -0.457 -4.143 5.502 1.00 0.00 N ATOM 65 CA ALA A 5 0.286 -2.977 5.970 1.00 0.00 C ATOM 66 C ALA A 5 -0.055 -2.591 7.385 1.00 0.00 C ATOM 67 O ALA A 5 -1.066 -1.914 7.590 1.00 0.00 O ATOM 68 CB ALA A 5 -0.050 -1.806 5.068 1.00 0.00 C ATOM 0 H ALA A 5 -1.427 -4.193 5.815 1.00 0.00 H new ATOM 0 HA ALA A 5 1.346 -3.232 5.943 1.00 0.00 H new ATOM 0 HB1 ALA A 5 0.495 -0.923 5.400 1.00 0.00 H new ATOM 0 HB2 ALA A 5 0.234 -2.043 4.043 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -1.121 -1.609 5.112 1.00 0.00 H new ATOM 74 N LYS A 6 0.798 -2.893 8.370 1.00 0.00 N ATOM 75 CA LYS A 6 0.449 -2.412 9.690 1.00 0.00 C ATOM 76 C LYS A 6 1.312 -1.240 10.084 1.00 0.00 C ATOM 77 O LYS A 6 2.316 -1.375 10.785 1.00 0.00 O ATOM 78 CB LYS A 6 0.638 -3.534 10.709 1.00 0.00 C ATOM 79 CG LYS A 6 0.239 -4.904 10.190 1.00 0.00 C ATOM 80 CD LYS A 6 -0.641 -5.635 11.186 1.00 0.00 C ATOM 81 CE LYS A 6 0.146 -6.675 11.971 1.00 0.00 C ATOM 82 NZ LYS A 6 -0.457 -6.939 13.307 1.00 0.00 N ATOM 0 H LYS A 6 1.664 -3.425 8.285 1.00 0.00 H new ATOM 0 HA LYS A 6 -0.592 -2.090 9.672 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.684 -3.562 11.016 1.00 0.00 H new ATOM 0 HB3 LYS A 6 0.051 -3.307 11.599 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.291 -4.797 9.243 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.133 -5.494 9.990 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -1.085 -4.917 11.876 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -1.462 -6.121 10.659 1.00 0.00 H new ATOM 0 HE2 LYS A 6 0.188 -7.604 11.402 1.00 0.00 H new ATOM 0 HE3 LYS A 6 1.173 -6.333 12.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.109 -7.653 13.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.474 -6.059 13.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -1.428 -7.290 13.186 1.00 0.00 H new ATOM 96 N HIS A 7 0.791 -0.080 9.754 1.00 0.00 N ATOM 97 CA HIS A 7 1.315 1.200 10.176 1.00 0.00 C ATOM 98 C HIS A 7 0.249 2.205 9.739 1.00 0.00 C ATOM 99 O HIS A 7 -0.047 2.240 8.547 1.00 0.00 O ATOM 100 CB HIS A 7 2.692 1.483 9.596 1.00 0.00 C ATOM 101 CG HIS A 7 3.804 1.190 10.555 1.00 0.00 C ATOM 102 ND1 HIS A 7 3.594 0.964 11.899 1.00 0.00 N ATOM 103 CD2 HIS A 7 5.140 1.082 10.362 1.00 0.00 C ATOM 104 CE1 HIS A 7 4.748 0.730 12.489 1.00 0.00 C ATOM 105 NE2 HIS A 7 5.703 0.795 11.580 1.00 0.00 N ATOM 0 H HIS A 7 -0.037 0.001 9.164 1.00 0.00 H new ATOM 0 HA HIS A 7 1.488 1.247 11.251 1.00 0.00 H new ATOM 0 HB2 HIS A 7 2.830 0.885 8.695 1.00 0.00 H new ATOM 0 HB3 HIS A 7 2.745 2.529 9.296 1.00 0.00 H new ATOM 0 HD2 HIS A 7 5.664 1.200 9.425 1.00 0.00 H new ATOM 0 HE1 HIS A 7 4.889 0.520 13.539 1.00 0.00 H new ATOM 0 HE2 HIS A 7 6.698 0.655 11.755 1.00 0.00 H new ATOM 114 N ASP A 8 -0.306 3.061 10.585 1.00 0.00 N ATOM 115 CA ASP A 8 -1.265 4.028 10.039 1.00 0.00 C ATOM 116 C ASP A 8 -0.511 4.891 9.017 1.00 0.00 C ATOM 117 O ASP A 8 0.705 5.056 9.127 1.00 0.00 O ATOM 118 CB ASP A 8 -1.894 4.918 11.114 1.00 0.00 C ATOM 119 CG ASP A 8 -2.625 4.114 12.170 1.00 0.00 C ATOM 120 OD1 ASP A 8 -2.920 2.928 11.914 1.00 0.00 O ATOM 121 OD2 ASP A 8 -2.900 4.668 13.255 1.00 0.00 O ATOM 0 H ASP A 8 -0.130 3.114 11.588 1.00 0.00 H new ATOM 0 HA ASP A 8 -2.090 3.483 9.579 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -1.116 5.515 11.589 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -2.589 5.615 10.645 1.00 0.00 H new ATOM 126 N PHE A 9 -1.222 5.470 8.048 1.00 0.00 N ATOM 127 CA PHE A 9 -0.556 6.329 7.064 1.00 0.00 C ATOM 128 C PHE A 9 -1.511 7.150 6.215 1.00 0.00 C ATOM 129 O PHE A 9 -2.656 6.775 5.964 1.00 0.00 O ATOM 130 CB PHE A 9 0.313 5.527 6.094 1.00 0.00 C ATOM 131 CG PHE A 9 1.265 6.394 5.317 1.00 0.00 C ATOM 132 CD1 PHE A 9 2.383 6.933 5.929 1.00 0.00 C ATOM 133 CD2 PHE A 9 1.036 6.680 3.980 1.00 0.00 C ATOM 134 CE1 PHE A 9 3.258 7.740 5.229 1.00 0.00 C ATOM 135 CE2 PHE A 9 1.908 7.488 3.273 1.00 0.00 C ATOM 136 CZ PHE A 9 3.022 8.017 3.899 1.00 0.00 C ATOM 0 H PHE A 9 -2.229 5.366 7.923 1.00 0.00 H new ATOM 0 HA PHE A 9 0.048 6.998 7.677 1.00 0.00 H new ATOM 0 HB2 PHE A 9 0.879 4.781 6.651 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -0.329 4.986 5.399 1.00 0.00 H new ATOM 0 HD1 PHE A 9 2.574 6.719 6.970 1.00 0.00 H new ATOM 0 HD2 PHE A 9 0.169 6.268 3.486 1.00 0.00 H new ATOM 0 HE1 PHE A 9 4.125 8.153 5.722 1.00 0.00 H new ATOM 0 HE2 PHE A 9 1.719 7.706 2.232 1.00 0.00 H new ATOM 0 HZ PHE A 9 3.705 8.646 3.347 1.00 0.00 H new ATOM 146 N SER A 10 -0.925 8.211 5.667 1.00 0.00 N ATOM 147 CA SER A 10 -1.645 9.066 4.740 1.00 0.00 C ATOM 148 C SER A 10 -0.728 9.640 3.670 1.00 0.00 C ATOM 149 O SER A 10 -0.016 10.613 3.910 1.00 0.00 O ATOM 150 CB SER A 10 -2.361 10.201 5.470 1.00 0.00 C ATOM 151 OG SER A 10 -1.996 10.247 6.836 1.00 0.00 O ATOM 0 H SER A 10 0.038 8.494 5.849 1.00 0.00 H new ATOM 0 HA SER A 10 -2.390 8.438 4.252 1.00 0.00 H new ATOM 0 HB2 SER A 10 -2.118 11.151 4.995 1.00 0.00 H new ATOM 0 HB3 SER A 10 -3.439 10.068 5.384 1.00 0.00 H new ATOM 0 HG SER A 10 -2.469 10.984 7.276 1.00 0.00 H new ATOM 157 N ALA A 11 -0.830 9.068 2.467 1.00 0.00 N ATOM 158 CA ALA A 11 -0.063 9.480 1.294 1.00 0.00 C ATOM 159 C ALA A 11 0.570 10.866 1.403 1.00 0.00 C ATOM 160 O ALA A 11 0.033 11.796 2.001 1.00 0.00 O ATOM 161 CB ALA A 11 -1.004 9.453 0.102 1.00 0.00 C ATOM 0 H ALA A 11 -1.462 8.290 2.280 1.00 0.00 H new ATOM 0 HA ALA A 11 0.771 8.786 1.192 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -0.464 9.756 -0.795 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.392 8.443 -0.032 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -1.832 10.140 0.276 1.00 0.00 H new ATOM 167 N THR A 12 1.758 10.946 0.793 1.00 0.00 N ATOM 168 CA THR A 12 2.576 12.146 0.766 1.00 0.00 C ATOM 169 C THR A 12 2.562 12.780 -0.637 1.00 0.00 C ATOM 170 O THR A 12 2.920 13.945 -0.811 1.00 0.00 O ATOM 171 CB THR A 12 4.013 11.789 1.235 1.00 0.00 C ATOM 172 OG1 THR A 12 4.147 11.969 2.636 1.00 0.00 O ATOM 173 CG2 THR A 12 5.119 12.589 0.574 1.00 0.00 C ATOM 0 H THR A 12 2.178 10.160 0.298 1.00 0.00 H new ATOM 0 HA THR A 12 2.168 12.891 1.449 1.00 0.00 H new ATOM 0 HB THR A 12 4.133 10.746 0.941 1.00 0.00 H new ATOM 0 HG1 THR A 12 5.059 11.737 2.910 1.00 0.00 H new ATOM 0 HG21 THR A 12 6.084 12.268 0.966 1.00 0.00 H new ATOM 0 HG22 THR A 12 5.092 12.425 -0.503 1.00 0.00 H new ATOM 0 HG23 THR A 12 4.976 13.649 0.784 1.00 0.00 H new ATOM 181 N ALA A 13 2.104 12.005 -1.617 1.00 0.00 N ATOM 182 CA ALA A 13 1.977 12.476 -2.996 1.00 0.00 C ATOM 183 C ALA A 13 0.522 12.318 -3.411 1.00 0.00 C ATOM 184 O ALA A 13 -0.187 11.492 -2.835 1.00 0.00 O ATOM 185 CB ALA A 13 2.898 11.699 -3.929 1.00 0.00 C ATOM 0 H ALA A 13 1.811 11.037 -1.480 1.00 0.00 H new ATOM 0 HA ALA A 13 2.274 13.523 -3.061 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.782 12.071 -4.947 1.00 0.00 H new ATOM 0 HB2 ALA A 13 3.932 11.829 -3.611 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.639 10.641 -3.897 1.00 0.00 H new ATOM 191 N ASP A 14 0.041 13.108 -4.370 1.00 0.00 N ATOM 192 CA ASP A 14 -1.348 13.045 -4.811 1.00 0.00 C ATOM 193 C ASP A 14 -1.729 11.665 -5.321 1.00 0.00 C ATOM 194 O ASP A 14 -2.796 11.139 -5.004 1.00 0.00 O ATOM 195 CB ASP A 14 -1.589 14.047 -5.943 1.00 0.00 C ATOM 196 CG ASP A 14 -2.648 15.072 -5.586 1.00 0.00 C ATOM 197 OD1 ASP A 14 -3.627 14.701 -4.905 1.00 0.00 O ATOM 198 OD2 ASP A 14 -2.497 16.244 -5.985 1.00 0.00 O ATOM 0 H ASP A 14 0.601 13.806 -4.860 1.00 0.00 H new ATOM 0 HA ASP A 14 -1.961 13.282 -3.941 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -0.656 14.558 -6.178 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.893 13.511 -6.842 1.00 0.00 H new ATOM 203 N ASP A 15 -0.811 11.063 -6.066 1.00 0.00 N ATOM 204 CA ASP A 15 -1.010 9.723 -6.599 1.00 0.00 C ATOM 205 C ASP A 15 -0.535 8.677 -5.596 1.00 0.00 C ATOM 206 O ASP A 15 -0.196 7.559 -5.978 1.00 0.00 O ATOM 207 CB ASP A 15 -0.256 9.554 -7.921 1.00 0.00 C ATOM 208 CG ASP A 15 1.128 10.173 -7.890 1.00 0.00 C ATOM 209 OD1 ASP A 15 1.224 11.403 -7.692 1.00 0.00 O ATOM 210 OD2 ASP A 15 2.115 9.428 -8.061 1.00 0.00 O ATOM 0 H ASP A 15 0.083 11.485 -6.316 1.00 0.00 H new ATOM 0 HA ASP A 15 -2.075 9.582 -6.781 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -0.169 8.492 -8.152 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -0.835 10.009 -8.725 1.00 0.00 H new ATOM 215 N GLU A 16 -0.552 9.022 -4.308 1.00 0.00 N ATOM 216 CA GLU A 16 -0.161 8.095 -3.266 1.00 0.00 C ATOM 217 C GLU A 16 -1.427 7.648 -2.531 1.00 0.00 C ATOM 218 O GLU A 16 -2.528 8.039 -2.924 1.00 0.00 O ATOM 219 CB GLU A 16 0.867 8.759 -2.334 1.00 0.00 C ATOM 220 CG GLU A 16 1.481 7.818 -1.307 1.00 0.00 C ATOM 221 CD GLU A 16 2.754 8.370 -0.693 1.00 0.00 C ATOM 222 OE1 GLU A 16 3.571 8.949 -1.439 1.00 0.00 O ATOM 223 OE2 GLU A 16 2.930 8.230 0.534 1.00 0.00 O ATOM 0 H GLU A 16 -0.835 9.942 -3.969 1.00 0.00 H new ATOM 0 HA GLU A 16 0.325 7.212 -3.681 1.00 0.00 H new ATOM 0 HB2 GLU A 16 1.665 9.188 -2.940 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.385 9.585 -1.811 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.755 7.626 -0.517 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.697 6.861 -1.781 1.00 0.00 H new ATOM 230 N LEU A 17 -1.310 6.732 -1.579 1.00 0.00 N ATOM 231 CA LEU A 17 -2.503 6.186 -0.934 1.00 0.00 C ATOM 232 C LEU A 17 -2.375 6.015 0.580 1.00 0.00 C ATOM 233 O LEU A 17 -1.458 5.351 1.064 1.00 0.00 O ATOM 234 CB LEU A 17 -2.755 4.794 -1.502 1.00 0.00 C ATOM 235 CG LEU A 17 -4.224 4.404 -1.639 1.00 0.00 C ATOM 236 CD1 LEU A 17 -4.667 4.482 -3.093 1.00 0.00 C ATOM 237 CD2 LEU A 17 -4.447 3.006 -1.081 1.00 0.00 C ATOM 0 H LEU A 17 -0.424 6.356 -1.240 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.306 6.898 -1.127 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.285 4.729 -2.484 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.260 4.063 -0.863 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.828 5.107 -1.065 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.717 4.200 -3.169 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.537 5.501 -3.459 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.064 3.801 -3.694 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.498 2.737 -1.183 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.834 2.292 -1.632 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.168 2.986 -0.027 1.00 0.00 H new ATOM 249 N SER A 18 -3.359 6.533 1.310 1.00 0.00 N ATOM 250 CA SER A 18 -3.399 6.382 2.762 1.00 0.00 C ATOM 251 C SER A 18 -4.073 5.069 3.138 1.00 0.00 C ATOM 252 O SER A 18 -4.687 4.408 2.301 1.00 0.00 O ATOM 253 CB SER A 18 -4.167 7.536 3.408 1.00 0.00 C ATOM 254 OG SER A 18 -5.555 7.434 3.140 1.00 0.00 O ATOM 0 H SER A 18 -4.140 7.061 0.920 1.00 0.00 H new ATOM 0 HA SER A 18 -2.372 6.387 3.126 1.00 0.00 H new ATOM 0 HB2 SER A 18 -3.999 7.532 4.485 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.789 8.486 3.031 1.00 0.00 H new ATOM 0 HG SER A 18 -6.026 8.181 3.564 1.00 0.00 H new ATOM 260 N PHE A 19 -3.917 4.686 4.404 1.00 0.00 N ATOM 261 CA PHE A 19 -4.501 3.450 4.909 1.00 0.00 C ATOM 262 C PHE A 19 -4.391 3.369 6.428 1.00 0.00 C ATOM 263 O PHE A 19 -3.940 4.311 7.080 1.00 0.00 O ATOM 264 CB PHE A 19 -3.859 2.226 4.255 1.00 0.00 C ATOM 265 CG PHE A 19 -2.362 2.191 4.379 1.00 0.00 C ATOM 266 CD1 PHE A 19 -1.763 1.820 5.571 1.00 0.00 C ATOM 267 CD2 PHE A 19 -1.554 2.523 3.303 1.00 0.00 C ATOM 268 CE1 PHE A 19 -0.386 1.783 5.689 1.00 0.00 C ATOM 269 CE2 PHE A 19 -0.177 2.488 3.416 1.00 0.00 C ATOM 270 CZ PHE A 19 0.406 2.117 4.610 1.00 0.00 C ATOM 0 H PHE A 19 -3.390 5.216 5.098 1.00 0.00 H new ATOM 0 HA PHE A 19 -5.559 3.456 4.646 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -4.273 1.325 4.706 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -4.128 2.206 3.199 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -2.379 1.556 6.418 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.006 2.812 2.366 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.069 1.493 6.625 1.00 0.00 H new ATOM 0 HE2 PHE A 19 0.442 2.751 2.571 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.482 2.088 4.700 1.00 0.00 H new ATOM 280 N ARG A 20 -4.871 2.269 6.988 1.00 0.00 N ATOM 281 CA ARG A 20 -4.864 2.081 8.432 1.00 0.00 C ATOM 282 C ARG A 20 -3.996 0.893 8.814 1.00 0.00 C ATOM 283 O ARG A 20 -3.687 0.061 7.959 1.00 0.00 O ATOM 284 CB ARG A 20 -6.286 1.892 8.955 1.00 0.00 C ATOM 285 CG ARG A 20 -6.997 3.203 9.246 1.00 0.00 C ATOM 286 CD ARG A 20 -7.772 3.694 8.033 1.00 0.00 C ATOM 287 NE ARG A 20 -9.176 3.295 8.093 1.00 0.00 N ATOM 288 CZ ARG A 20 -10.180 4.118 8.389 1.00 0.00 C ATOM 289 NH1 ARG A 20 -9.957 5.405 8.639 1.00 0.00 N ATOM 290 NH2 ARG A 20 -11.419 3.649 8.435 1.00 0.00 N ATOM 0 H ARG A 20 -5.271 1.491 6.464 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.443 2.976 8.891 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.863 1.328 8.222 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.255 1.293 9.865 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -7.679 3.070 10.086 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.267 3.956 9.543 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.704 4.780 7.973 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.319 3.296 7.125 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.402 2.320 7.895 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.007 5.774 8.605 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.736 6.023 8.864 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -11.599 2.663 8.244 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -12.193 4.274 8.661 1.00 0.00 H new ATOM 304 N LYS A 21 -3.643 0.760 10.085 1.00 0.00 N ATOM 305 CA LYS A 21 -2.865 -0.390 10.515 1.00 0.00 C ATOM 306 C LYS A 21 -3.710 -1.660 10.339 1.00 0.00 C ATOM 307 O LYS A 21 -4.884 -1.687 10.708 1.00 0.00 O ATOM 308 CB LYS A 21 -2.459 -0.230 11.985 1.00 0.00 C ATOM 309 CG LYS A 21 -3.559 -0.572 12.981 1.00 0.00 C ATOM 310 CD LYS A 21 -3.539 0.364 14.178 1.00 0.00 C ATOM 311 CE LYS A 21 -4.856 0.327 14.931 1.00 0.00 C ATOM 312 NZ LYS A 21 -4.657 0.167 16.399 1.00 0.00 N ATOM 0 H LYS A 21 -3.879 1.422 10.824 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.961 -0.465 9.911 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.596 -0.866 12.182 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.141 0.799 12.152 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.529 -0.512 12.488 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.437 -1.601 13.320 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.727 0.083 14.848 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.338 1.382 13.843 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.409 1.246 14.739 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -5.465 -0.496 14.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -5.582 0.147 16.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -4.152 -0.723 16.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.098 0.965 16.763 1.00 0.00 H new ATOM 326 N THR A 22 -3.112 -2.702 9.763 1.00 0.00 N ATOM 327 CA THR A 22 -3.776 -3.987 9.552 1.00 0.00 C ATOM 328 C THR A 22 -4.723 -4.018 8.353 1.00 0.00 C ATOM 329 O THR A 22 -5.458 -4.990 8.173 1.00 0.00 O ATOM 330 CB THR A 22 -4.525 -4.428 10.815 1.00 0.00 C ATOM 331 OG1 THR A 22 -3.712 -4.255 11.967 1.00 0.00 O ATOM 332 CG2 THR A 22 -4.963 -5.879 10.770 1.00 0.00 C ATOM 0 H THR A 22 -2.149 -2.678 9.428 1.00 0.00 H new ATOM 0 HA THR A 22 -2.973 -4.689 9.327 1.00 0.00 H new ATOM 0 HB THR A 22 -5.413 -3.798 10.864 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.208 -4.540 12.763 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.487 -6.130 11.692 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.629 -6.032 9.921 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.088 -6.520 10.664 1.00 0.00 H new ATOM 340 N GLN A 23 -4.729 -2.967 7.535 1.00 0.00 N ATOM 341 CA GLN A 23 -5.608 -2.912 6.371 1.00 0.00 C ATOM 342 C GLN A 23 -5.143 -3.851 5.256 1.00 0.00 C ATOM 343 O GLN A 23 -3.944 -4.073 5.082 1.00 0.00 O ATOM 344 CB GLN A 23 -5.624 -1.488 5.822 1.00 0.00 C ATOM 345 CG GLN A 23 -6.829 -0.684 6.287 1.00 0.00 C ATOM 346 CD GLN A 23 -8.052 -0.913 5.422 1.00 0.00 C ATOM 347 OE1 GLN A 23 -8.482 -2.049 5.223 1.00 0.00 O ATOM 348 NE2 GLN A 23 -8.619 0.171 4.903 1.00 0.00 N ATOM 0 H GLN A 23 -4.137 -2.145 7.657 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.601 -3.224 6.694 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -4.712 -0.976 6.129 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -5.617 -1.525 4.733 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -7.063 -0.950 7.318 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -6.578 0.377 6.281 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -8.228 1.093 5.095 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -9.446 0.081 4.312 1.00 0.00 H new ATOM 357 N ILE A 24 -6.089 -4.382 4.492 1.00 0.00 N ATOM 358 CA ILE A 24 -5.778 -5.279 3.382 1.00 0.00 C ATOM 359 C ILE A 24 -5.575 -4.464 2.107 1.00 0.00 C ATOM 360 O ILE A 24 -6.534 -3.913 1.566 1.00 0.00 O ATOM 361 CB ILE A 24 -6.936 -6.290 3.177 1.00 0.00 C ATOM 362 CG1 ILE A 24 -6.973 -7.289 4.332 1.00 0.00 C ATOM 363 CG2 ILE A 24 -6.831 -7.020 1.841 1.00 0.00 C ATOM 364 CD1 ILE A 24 -8.206 -7.165 5.198 1.00 0.00 C ATOM 0 H ILE A 24 -7.085 -4.206 4.621 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.864 -5.827 3.611 1.00 0.00 H new ATOM 0 HB ILE A 24 -7.868 -5.724 3.162 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -6.922 -8.300 3.929 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -6.088 -7.148 4.952 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -7.663 -7.717 1.741 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -6.865 -6.296 1.027 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -5.890 -7.569 1.799 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -8.165 -7.905 5.997 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -8.248 -6.165 5.630 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -9.095 -7.335 4.591 1.00 0.00 H new ATOM 376 N LEU A 25 -4.328 -4.366 1.629 1.00 0.00 N ATOM 377 CA LEU A 25 -4.065 -3.582 0.427 1.00 0.00 C ATOM 378 C LEU A 25 -3.720 -4.443 -0.783 1.00 0.00 C ATOM 379 O LEU A 25 -3.014 -5.447 -0.668 1.00 0.00 O ATOM 380 CB LEU A 25 -2.967 -2.542 0.649 1.00 0.00 C ATOM 381 CG LEU A 25 -3.053 -1.772 1.968 1.00 0.00 C ATOM 382 CD1 LEU A 25 -1.725 -1.100 2.276 1.00 0.00 C ATOM 383 CD2 LEU A 25 -4.173 -0.744 1.910 1.00 0.00 C ATOM 0 H LEU A 25 -3.509 -4.808 2.046 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.001 -3.066 0.212 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.000 -3.043 0.602 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.995 -1.827 -0.173 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.275 -2.477 2.769 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.802 -0.556 3.217 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.945 -1.857 2.357 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.475 -0.405 1.475 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.221 -0.205 2.856 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.979 -0.040 1.100 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.122 -1.250 1.732 1.00 0.00 H new ATOM 395 N LYS A 26 -4.240 -4.048 -1.937 1.00 0.00 N ATOM 396 CA LYS A 26 -4.021 -4.765 -3.186 1.00 0.00 C ATOM 397 C LYS A 26 -2.716 -4.336 -3.843 1.00 0.00 C ATOM 398 O LYS A 26 -2.657 -3.313 -4.524 1.00 0.00 O ATOM 399 CB LYS A 26 -5.162 -4.411 -4.142 1.00 0.00 C ATOM 400 CG LYS A 26 -6.334 -5.374 -4.070 1.00 0.00 C ATOM 401 CD LYS A 26 -6.122 -6.575 -4.977 1.00 0.00 C ATOM 402 CE LYS A 26 -5.405 -7.702 -4.251 1.00 0.00 C ATOM 403 NZ LYS A 26 -5.357 -8.946 -5.068 1.00 0.00 N ATOM 0 H LYS A 26 -4.827 -3.219 -2.034 1.00 0.00 H new ATOM 0 HA LYS A 26 -3.980 -5.834 -2.975 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -5.515 -3.405 -3.917 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -4.778 -4.394 -5.162 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -6.467 -5.711 -3.042 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -7.250 -4.857 -4.357 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -7.085 -6.931 -5.342 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -5.541 -6.275 -5.849 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -4.390 -7.389 -4.007 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -5.911 -7.906 -3.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -5.487 -9.772 -4.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -6.115 -8.923 -5.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -4.435 -9.013 -5.545 1.00 0.00 H new ATOM 417 N ILE A 27 -1.680 -5.138 -3.652 1.00 0.00 N ATOM 418 CA ILE A 27 -0.389 -4.831 -4.244 1.00 0.00 C ATOM 419 C ILE A 27 -0.437 -5.165 -5.733 1.00 0.00 C ATOM 420 O ILE A 27 -0.946 -6.220 -6.115 1.00 0.00 O ATOM 421 CB ILE A 27 0.757 -5.583 -3.496 1.00 0.00 C ATOM 422 CG1 ILE A 27 1.825 -4.593 -3.020 1.00 0.00 C ATOM 423 CG2 ILE A 27 1.391 -6.698 -4.328 1.00 0.00 C ATOM 424 CD1 ILE A 27 2.703 -4.053 -4.129 1.00 0.00 C ATOM 0 H ILE A 27 -1.707 -5.995 -3.099 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.172 -3.768 -4.140 1.00 0.00 H new ATOM 0 HB ILE A 27 0.299 -6.066 -2.633 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.334 -3.758 -2.520 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.455 -5.083 -2.278 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.180 -7.180 -3.750 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.631 -7.434 -4.589 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.815 -6.276 -5.239 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.433 -3.360 -3.711 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.224 -4.878 -4.615 1.00 0.00 H new ATOM 0 HD13 ILE A 27 2.086 -3.532 -4.861 1.00 0.00 H new ATOM 436 N LEU A 28 -0.030 -4.222 -6.582 1.00 0.00 N ATOM 437 CA LEU A 28 -0.152 -4.440 -8.021 1.00 0.00 C ATOM 438 C LEU A 28 0.968 -3.818 -8.855 1.00 0.00 C ATOM 439 O LEU A 28 1.249 -4.312 -9.948 1.00 0.00 O ATOM 440 CB LEU A 28 -1.497 -3.899 -8.503 1.00 0.00 C ATOM 441 CG LEU A 28 -1.776 -2.450 -8.113 1.00 0.00 C ATOM 442 CD1 LEU A 28 -1.210 -1.497 -9.157 1.00 0.00 C ATOM 443 CD2 LEU A 28 -3.266 -2.221 -7.927 1.00 0.00 C ATOM 0 H LEU A 28 0.375 -3.326 -6.309 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.076 -5.517 -8.168 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.540 -3.984 -9.589 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.292 -4.529 -8.103 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.281 -2.250 -7.163 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.419 -0.469 -8.862 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.132 -1.641 -9.235 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.673 -1.698 -10.123 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.443 -1.182 -7.649 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.787 -2.441 -8.859 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.639 -2.875 -7.139 1.00 0.00 H new ATOM 455 N ASN A 29 1.653 -2.788 -8.356 1.00 0.00 N ATOM 456 CA ASN A 29 2.759 -2.245 -9.136 1.00 0.00 C ATOM 457 C ASN A 29 3.856 -1.688 -8.255 1.00 0.00 C ATOM 458 O ASN A 29 3.773 -0.608 -7.668 1.00 0.00 O ATOM 459 CB ASN A 29 2.219 -1.174 -10.092 1.00 0.00 C ATOM 460 CG ASN A 29 3.300 -0.444 -10.861 1.00 0.00 C ATOM 461 OD1 ASN A 29 3.951 0.506 -10.203 1.00 0.00 O flip ATOM 462 ND2 ASN A 29 3.543 -0.725 -12.035 1.00 0.00 N flip ATOM 0 H ASN A 29 1.473 -2.333 -7.461 1.00 0.00 H new ATOM 0 HA ASN A 29 3.209 -3.054 -9.712 1.00 0.00 H new ATOM 0 HB2 ASN A 29 1.535 -1.643 -10.800 1.00 0.00 H new ATOM 0 HB3 ASN A 29 1.639 -0.449 -9.521 1.00 0.00 H new ATOM 0 HD21 ASN A 29 3.017 -1.464 -12.502 1.00 0.00 H new ATOM 0 HD22 ASN A 29 4.270 -0.219 -12.540 1.00 0.00 H new ATOM 469 N MET A 30 4.926 -2.460 -8.293 1.00 0.00 N ATOM 470 CA MET A 30 6.176 -2.212 -7.639 1.00 0.00 C ATOM 471 C MET A 30 7.319 -2.314 -8.623 1.00 0.00 C ATOM 472 O MET A 30 7.489 -3.372 -9.223 1.00 0.00 O ATOM 473 CB MET A 30 6.392 -3.223 -6.505 1.00 0.00 C ATOM 474 CG MET A 30 5.837 -4.611 -6.801 1.00 0.00 C ATOM 475 SD MET A 30 7.037 -5.922 -6.509 1.00 0.00 S ATOM 476 CE MET A 30 6.307 -7.258 -7.452 1.00 0.00 C ATOM 0 H MET A 30 4.934 -3.333 -8.820 1.00 0.00 H new ATOM 0 HA MET A 30 6.149 -1.204 -7.226 1.00 0.00 H new ATOM 0 HB2 MET A 30 7.460 -3.305 -6.303 1.00 0.00 H new ATOM 0 HB3 MET A 30 5.924 -2.841 -5.597 1.00 0.00 H new ATOM 0 HG2 MET A 30 4.958 -4.785 -6.181 1.00 0.00 H new ATOM 0 HG3 MET A 30 5.508 -4.651 -7.839 1.00 0.00 H new ATOM 0 HE1 MET A 30 6.935 -8.145 -7.372 1.00 0.00 H new ATOM 0 HE2 MET A 30 5.314 -7.479 -7.061 1.00 0.00 H new ATOM 0 HE3 MET A 30 6.227 -6.964 -8.498 1.00 0.00 H new ATOM 486 N GLU A 31 8.198 -1.333 -8.655 1.00 0.00 N ATOM 487 CA GLU A 31 9.437 -1.461 -9.441 1.00 0.00 C ATOM 488 C GLU A 31 10.198 -0.184 -9.775 1.00 0.00 C ATOM 489 O GLU A 31 11.393 -0.059 -9.502 1.00 0.00 O ATOM 490 CB GLU A 31 9.356 -2.397 -10.661 1.00 0.00 C ATOM 491 CG GLU A 31 10.609 -3.228 -10.878 1.00 0.00 C ATOM 492 CD GLU A 31 10.334 -4.508 -11.648 1.00 0.00 C ATOM 493 OE1 GLU A 31 9.587 -4.452 -12.648 1.00 0.00 O ATOM 494 OE2 GLU A 31 10.865 -5.567 -11.249 1.00 0.00 O ATOM 0 H GLU A 31 8.093 -0.448 -8.160 1.00 0.00 H new ATOM 0 HA GLU A 31 10.055 -1.958 -8.693 1.00 0.00 H new ATOM 0 HB2 GLU A 31 8.504 -3.066 -10.539 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.167 -1.800 -11.554 1.00 0.00 H new ATOM 0 HG2 GLU A 31 11.346 -2.634 -11.419 1.00 0.00 H new ATOM 0 HG3 GLU A 31 11.048 -3.477 -9.912 1.00 0.00 H new ATOM 501 N ASP A 32 9.469 0.769 -10.343 1.00 0.00 N ATOM 502 CA ASP A 32 10.053 2.054 -10.703 1.00 0.00 C ATOM 503 C ASP A 32 10.352 2.852 -9.449 1.00 0.00 C ATOM 504 O ASP A 32 10.946 3.930 -9.500 1.00 0.00 O ATOM 505 CB ASP A 32 9.112 2.872 -11.591 1.00 0.00 C ATOM 506 CG ASP A 32 8.770 2.165 -12.887 1.00 0.00 C ATOM 507 OD1 ASP A 32 9.706 1.796 -13.626 1.00 0.00 O ATOM 508 OD2 ASP A 32 7.566 1.983 -13.165 1.00 0.00 O ATOM 0 H ASP A 32 8.477 0.677 -10.563 1.00 0.00 H new ATOM 0 HA ASP A 32 10.970 1.854 -11.257 1.00 0.00 H new ATOM 0 HB2 ASP A 32 8.193 3.082 -11.043 1.00 0.00 H new ATOM 0 HB3 ASP A 32 9.575 3.832 -11.817 1.00 0.00 H new ATOM 513 N ASP A 33 9.855 2.342 -8.335 1.00 0.00 N ATOM 514 CA ASP A 33 10.022 2.994 -7.062 1.00 0.00 C ATOM 515 C ASP A 33 10.240 1.954 -5.981 1.00 0.00 C ATOM 516 O ASP A 33 9.286 1.519 -5.337 1.00 0.00 O ATOM 517 CB ASP A 33 8.799 3.851 -6.729 1.00 0.00 C ATOM 518 CG ASP A 33 9.184 5.246 -6.271 1.00 0.00 C ATOM 519 OD1 ASP A 33 10.262 5.392 -5.661 1.00 0.00 O ATOM 520 OD2 ASP A 33 8.407 6.191 -6.525 1.00 0.00 O ATOM 0 H ASP A 33 9.329 1.469 -8.295 1.00 0.00 H new ATOM 0 HA ASP A 33 10.893 3.647 -7.115 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.158 3.923 -7.607 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.216 3.362 -5.948 1.00 0.00 H new ATOM 525 N SER A 34 11.486 1.518 -5.808 1.00 0.00 N ATOM 526 CA SER A 34 11.804 0.480 -4.831 1.00 0.00 C ATOM 527 C SER A 34 11.440 0.904 -3.418 1.00 0.00 C ATOM 528 O SER A 34 12.084 0.463 -2.467 1.00 0.00 O ATOM 529 CB SER A 34 13.294 0.135 -4.903 1.00 0.00 C ATOM 530 OG SER A 34 13.593 -0.615 -6.070 1.00 0.00 O ATOM 0 H SER A 34 12.290 1.867 -6.330 1.00 0.00 H new ATOM 0 HA SER A 34 11.210 -0.400 -5.077 1.00 0.00 H new ATOM 0 HB2 SER A 34 13.883 1.052 -4.897 1.00 0.00 H new ATOM 0 HB3 SER A 34 13.581 -0.434 -4.019 1.00 0.00 H new ATOM 0 HG SER A 34 14.551 -0.820 -6.091 1.00 0.00 H new ATOM 536 N ASN A 35 10.507 1.831 -3.258 1.00 0.00 N ATOM 537 CA ASN A 35 10.197 2.331 -1.922 1.00 0.00 C ATOM 538 C ASN A 35 8.716 2.632 -1.736 1.00 0.00 C ATOM 539 O ASN A 35 8.187 2.536 -0.631 1.00 0.00 O ATOM 540 CB ASN A 35 11.019 3.595 -1.663 1.00 0.00 C ATOM 541 CG ASN A 35 11.427 3.745 -0.213 1.00 0.00 C ATOM 542 OD1 ASN A 35 10.632 3.510 0.697 1.00 0.00 O ATOM 543 ND2 ASN A 35 12.675 4.142 0.008 1.00 0.00 N ATOM 0 H ASN A 35 9.962 2.245 -4.014 1.00 0.00 H new ATOM 0 HA ASN A 35 10.453 1.549 -1.207 1.00 0.00 H new ATOM 0 HB2 ASN A 35 11.913 3.575 -2.287 1.00 0.00 H new ATOM 0 HB3 ASN A 35 10.439 4.468 -1.964 1.00 0.00 H new ATOM 0 HD21 ASN A 35 13.010 4.264 0.964 1.00 0.00 H new ATOM 0 HD22 ASN A 35 13.299 4.325 -0.778 1.00 0.00 H new ATOM 550 N TRP A 36 8.052 2.995 -2.817 1.00 0.00 N ATOM 551 CA TRP A 36 6.632 3.289 -2.767 1.00 0.00 C ATOM 552 C TRP A 36 5.916 2.421 -3.791 1.00 0.00 C ATOM 553 O TRP A 36 6.248 2.447 -4.977 1.00 0.00 O ATOM 554 CB TRP A 36 6.387 4.779 -3.029 1.00 0.00 C ATOM 555 CG TRP A 36 7.172 5.669 -2.108 1.00 0.00 C ATOM 556 CD1 TRP A 36 8.461 6.085 -2.279 1.00 0.00 C ATOM 557 CD2 TRP A 36 6.728 6.245 -0.865 1.00 0.00 C ATOM 558 NE1 TRP A 36 8.849 6.877 -1.226 1.00 0.00 N ATOM 559 CE2 TRP A 36 7.805 6.991 -0.347 1.00 0.00 C ATOM 560 CE3 TRP A 36 5.529 6.206 -0.140 1.00 0.00 C ATOM 561 CZ2 TRP A 36 7.719 7.684 0.859 1.00 0.00 C ATOM 562 CZ3 TRP A 36 5.452 6.902 1.056 1.00 0.00 C ATOM 563 CH2 TRP A 36 6.540 7.629 1.543 1.00 0.00 C ATOM 0 H TRP A 36 8.473 3.093 -3.741 1.00 0.00 H new ATOM 0 HA TRP A 36 6.239 3.064 -1.775 1.00 0.00 H new ATOM 0 HB2 TRP A 36 6.650 5.010 -4.061 1.00 0.00 H new ATOM 0 HB3 TRP A 36 5.324 4.993 -2.915 1.00 0.00 H new ATOM 0 HD1 TRP A 36 9.086 5.828 -3.121 1.00 0.00 H new ATOM 0 HE1 TRP A 36 9.766 7.310 -1.116 1.00 0.00 H new ATOM 0 HE3 TRP A 36 4.682 5.645 -0.506 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 8.559 8.246 1.240 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 4.533 6.882 1.622 1.00 0.00 H new ATOM 0 HH2 TRP A 36 6.446 8.158 2.480 1.00 0.00 H new ATOM 574 N TYR A 37 5.000 1.582 -3.317 1.00 0.00 N ATOM 575 CA TYR A 37 4.306 0.638 -4.187 1.00 0.00 C ATOM 576 C TYR A 37 2.957 1.159 -4.644 1.00 0.00 C ATOM 577 O TYR A 37 2.371 2.024 -4.001 1.00 0.00 O ATOM 578 CB TYR A 37 4.103 -0.698 -3.467 1.00 0.00 C ATOM 579 CG TYR A 37 5.362 -1.293 -2.869 1.00 0.00 C ATOM 580 CD1 TYR A 37 6.621 -0.802 -3.193 1.00 0.00 C ATOM 581 CD2 TYR A 37 5.283 -2.359 -1.980 1.00 0.00 C ATOM 582 CE1 TYR A 37 7.764 -1.357 -2.648 1.00 0.00 C ATOM 583 CE2 TYR A 37 6.421 -2.916 -1.430 1.00 0.00 C ATOM 584 CZ TYR A 37 7.659 -2.414 -1.768 1.00 0.00 C ATOM 585 OH TYR A 37 8.796 -2.969 -1.227 1.00 0.00 O ATOM 0 H TYR A 37 4.721 1.536 -2.337 1.00 0.00 H new ATOM 0 HA TYR A 37 4.935 0.502 -5.067 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.370 -0.559 -2.672 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.678 -1.414 -4.171 1.00 0.00 H new ATOM 0 HD1 TYR A 37 6.708 0.026 -3.881 1.00 0.00 H new ATOM 0 HD2 TYR A 37 4.315 -2.758 -1.715 1.00 0.00 H new ATOM 0 HE1 TYR A 37 8.735 -0.964 -2.910 1.00 0.00 H new ATOM 0 HE2 TYR A 37 6.341 -3.741 -0.738 1.00 0.00 H new ATOM 0 HH TYR A 37 8.548 -3.703 -0.626 1.00 0.00 H new ATOM 595 N ARG A 38 2.516 0.694 -5.809 1.00 0.00 N ATOM 596 CA ARG A 38 1.236 1.112 -6.356 1.00 0.00 C ATOM 597 C ARG A 38 0.251 0.015 -5.992 1.00 0.00 C ATOM 598 O ARG A 38 0.268 -1.067 -6.575 1.00 0.00 O ATOM 599 CB ARG A 38 1.300 1.323 -7.872 1.00 0.00 C ATOM 600 CG ARG A 38 1.116 2.773 -8.285 1.00 0.00 C ATOM 601 CD ARG A 38 1.660 3.048 -9.679 1.00 0.00 C ATOM 602 NE ARG A 38 1.874 4.478 -9.904 1.00 0.00 N ATOM 603 CZ ARG A 38 2.800 4.979 -10.722 1.00 0.00 C ATOM 604 NH1 ARG A 38 3.585 4.178 -11.429 1.00 0.00 N ATOM 605 NH2 ARG A 38 2.934 6.295 -10.838 1.00 0.00 N ATOM 0 H ARG A 38 3.027 0.029 -6.389 1.00 0.00 H new ATOM 0 HA ARG A 38 0.934 2.075 -5.944 1.00 0.00 H new ATOM 0 HB2 ARG A 38 2.262 0.967 -8.241 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.531 0.716 -8.349 1.00 0.00 H new ATOM 0 HG2 ARG A 38 0.056 3.026 -8.254 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.619 3.420 -7.567 1.00 0.00 H new ATOM 0 HD2 ARG A 38 2.600 2.514 -9.815 1.00 0.00 H new ATOM 0 HD3 ARG A 38 0.964 2.663 -10.424 1.00 0.00 H new ATOM 0 HE ARG A 38 1.276 5.134 -9.402 1.00 0.00 H new ATOM 0 HH11 ARG A 38 3.484 3.166 -11.351 1.00 0.00 H new ATOM 0 HH12 ARG A 38 4.290 4.574 -12.051 1.00 0.00 H new ATOM 0 HH21 ARG A 38 2.330 6.918 -10.302 1.00 0.00 H new ATOM 0 HH22 ARG A 38 3.641 6.683 -11.463 1.00 0.00 H new ATOM 619 N ALA A 39 -0.595 0.304 -5.015 1.00 0.00 N ATOM 620 CA ALA A 39 -1.587 -0.651 -4.549 1.00 0.00 C ATOM 621 C ALA A 39 -2.995 -0.193 -4.907 1.00 0.00 C ATOM 622 O ALA A 39 -3.198 0.927 -5.375 1.00 0.00 O ATOM 623 CB ALA A 39 -1.447 -0.856 -3.049 1.00 0.00 C ATOM 0 H ALA A 39 -0.613 1.199 -4.527 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.413 -1.604 -5.048 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.194 -1.573 -2.708 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -0.450 -1.237 -2.825 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.596 0.094 -2.536 1.00 0.00 H new ATOM 629 N GLU A 40 -3.960 -1.074 -4.685 1.00 0.00 N ATOM 630 CA GLU A 40 -5.348 -0.752 -4.990 1.00 0.00 C ATOM 631 C GLU A 40 -6.226 -0.866 -3.750 1.00 0.00 C ATOM 632 O GLU A 40 -5.919 -1.615 -2.824 1.00 0.00 O ATOM 633 CB GLU A 40 -5.882 -1.670 -6.094 1.00 0.00 C ATOM 634 CG GLU A 40 -6.182 -0.944 -7.397 1.00 0.00 C ATOM 635 CD GLU A 40 -7.591 -1.196 -7.900 1.00 0.00 C ATOM 636 OE1 GLU A 40 -7.849 -2.305 -8.412 1.00 0.00 O ATOM 637 OE2 GLU A 40 -8.434 -0.283 -7.784 1.00 0.00 O ATOM 0 H GLU A 40 -3.811 -2.007 -4.300 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.380 0.280 -5.339 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.152 -2.457 -6.286 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.791 -2.158 -5.742 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.039 0.127 -7.252 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.468 -1.261 -8.157 1.00 0.00 H new ATOM 644 N LEU A 41 -7.276 -0.057 -3.707 1.00 0.00 N ATOM 645 CA LEU A 41 -8.174 -0.020 -2.565 1.00 0.00 C ATOM 646 C LEU A 41 -9.521 0.546 -2.997 1.00 0.00 C ATOM 647 O LEU A 41 -9.590 1.630 -3.575 1.00 0.00 O ATOM 648 CB LEU A 41 -7.564 0.847 -1.459 1.00 0.00 C ATOM 649 CG LEU A 41 -8.113 0.609 -0.052 1.00 0.00 C ATOM 650 CD1 LEU A 41 -7.413 -0.574 0.605 1.00 0.00 C ATOM 651 CD2 LEU A 41 -7.956 1.866 0.794 1.00 0.00 C ATOM 0 H LEU A 41 -7.526 0.587 -4.457 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.320 -1.029 -2.180 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.487 0.678 -1.442 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.718 1.895 -1.717 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.175 0.374 -0.128 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.818 -0.727 1.605 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.575 -1.471 0.007 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.344 -0.372 0.673 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -8.351 1.684 1.794 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.900 2.129 0.863 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -8.504 2.687 0.332 1.00 0.00 H new ATOM 663 N ASP A 42 -10.588 -0.202 -2.732 1.00 0.00 N ATOM 664 CA ASP A 42 -11.930 0.218 -3.113 1.00 0.00 C ATOM 665 C ASP A 42 -12.036 0.332 -4.633 1.00 0.00 C ATOM 666 O ASP A 42 -12.513 -0.584 -5.303 1.00 0.00 O ATOM 667 CB ASP A 42 -12.284 1.553 -2.454 1.00 0.00 C ATOM 668 CG ASP A 42 -13.125 1.372 -1.206 1.00 0.00 C ATOM 669 OD1 ASP A 42 -14.368 1.323 -1.330 1.00 0.00 O ATOM 670 OD2 ASP A 42 -12.543 1.279 -0.105 1.00 0.00 O ATOM 0 H ASP A 42 -10.548 -1.102 -2.255 1.00 0.00 H new ATOM 0 HA ASP A 42 -12.639 -0.534 -2.767 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -11.367 2.084 -2.198 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -12.825 2.176 -3.167 1.00 0.00 H new ATOM 675 N GLY A 43 -11.568 1.456 -5.172 1.00 0.00 N ATOM 676 CA GLY A 43 -11.600 1.669 -6.608 1.00 0.00 C ATOM 677 C GLY A 43 -10.565 2.681 -7.051 1.00 0.00 C ATOM 678 O GLY A 43 -10.816 3.467 -7.965 1.00 0.00 O ATOM 0 H GLY A 43 -11.166 2.225 -4.636 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -11.425 0.723 -7.120 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -12.592 2.011 -6.902 1.00 0.00 H new ATOM 682 N LYS A 44 -9.444 2.739 -6.340 1.00 0.00 N ATOM 683 CA LYS A 44 -8.411 3.728 -6.624 1.00 0.00 C ATOM 684 C LYS A 44 -7.013 3.112 -6.588 1.00 0.00 C ATOM 685 O LYS A 44 -6.705 2.307 -5.710 1.00 0.00 O ATOM 686 CB LYS A 44 -8.480 4.822 -5.555 1.00 0.00 C ATOM 687 CG LYS A 44 -8.174 6.217 -6.073 1.00 0.00 C ATOM 688 CD LYS A 44 -7.505 7.071 -5.005 1.00 0.00 C ATOM 689 CE LYS A 44 -8.442 8.149 -4.483 1.00 0.00 C ATOM 690 NZ LYS A 44 -8.184 8.470 -3.052 1.00 0.00 N ATOM 0 H LYS A 44 -9.228 2.114 -5.564 1.00 0.00 H new ATOM 0 HA LYS A 44 -8.587 4.128 -7.623 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -9.476 4.821 -5.113 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.778 4.580 -4.757 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.525 6.148 -6.946 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.097 6.696 -6.399 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.184 6.436 -4.179 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.609 7.535 -5.418 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.326 9.051 -5.083 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -9.474 7.819 -4.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.845 9.209 -2.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.320 7.616 -2.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.207 8.810 -2.943 1.00 0.00 H new ATOM 704 N GLU A 45 -6.152 3.542 -7.507 1.00 0.00 N ATOM 705 CA GLU A 45 -4.768 3.078 -7.526 1.00 0.00 C ATOM 706 C GLU A 45 -3.918 4.123 -6.817 1.00 0.00 C ATOM 707 O GLU A 45 -4.230 5.311 -6.902 1.00 0.00 O ATOM 708 CB GLU A 45 -4.264 2.860 -8.965 1.00 0.00 C ATOM 709 CG GLU A 45 -2.744 2.715 -9.080 1.00 0.00 C ATOM 710 CD GLU A 45 -2.104 3.880 -9.812 1.00 0.00 C ATOM 711 OE1 GLU A 45 -1.863 4.925 -9.171 1.00 0.00 O ATOM 712 OE2 GLU A 45 -1.842 3.745 -11.025 1.00 0.00 O ATOM 0 H GLU A 45 -6.386 4.207 -8.244 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.698 2.116 -7.018 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.735 1.965 -9.372 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.586 3.699 -9.582 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -2.313 2.636 -8.082 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.509 1.788 -9.603 1.00 0.00 H new ATOM 719 N GLY A 46 -2.877 3.723 -6.099 1.00 0.00 N ATOM 720 CA GLY A 46 -2.092 4.731 -5.411 1.00 0.00 C ATOM 721 C GLY A 46 -0.852 4.214 -4.719 1.00 0.00 C ATOM 722 O GLY A 46 -0.864 3.140 -4.119 1.00 0.00 O ATOM 0 H GLY A 46 -2.569 2.758 -5.982 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -1.796 5.494 -6.132 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.725 5.220 -4.671 1.00 0.00 H new ATOM 726 N LEU A 47 0.218 4.996 -4.793 1.00 0.00 N ATOM 727 CA LEU A 47 1.485 4.639 -4.175 1.00 0.00 C ATOM 728 C LEU A 47 1.335 4.545 -2.660 1.00 0.00 C ATOM 729 O LEU A 47 0.511 5.239 -2.076 1.00 0.00 O ATOM 730 CB LEU A 47 2.537 5.686 -4.551 1.00 0.00 C ATOM 731 CG LEU A 47 3.218 5.469 -5.909 1.00 0.00 C ATOM 732 CD1 LEU A 47 3.745 4.044 -6.022 1.00 0.00 C ATOM 733 CD2 LEU A 47 2.256 5.784 -7.048 1.00 0.00 C ATOM 0 H LEU A 47 0.230 5.891 -5.281 1.00 0.00 H new ATOM 0 HA LEU A 47 1.803 3.662 -4.538 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.065 6.668 -4.552 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.304 5.702 -3.776 1.00 0.00 H new ATOM 0 HG LEU A 47 4.065 6.151 -5.983 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.224 3.909 -6.992 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.471 3.861 -5.230 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.917 3.341 -5.926 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.757 5.624 -8.003 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.386 5.130 -6.981 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.935 6.823 -6.976 1.00 0.00 H new ATOM 745 N ILE A 48 2.117 3.683 -2.025 1.00 0.00 N ATOM 746 CA ILE A 48 2.025 3.524 -0.573 1.00 0.00 C ATOM 747 C ILE A 48 3.371 3.230 0.069 1.00 0.00 C ATOM 748 O ILE A 48 4.022 2.250 -0.295 1.00 0.00 O ATOM 749 CB ILE A 48 1.061 2.387 -0.189 1.00 0.00 C ATOM 750 CG1 ILE A 48 1.470 1.080 -0.871 1.00 0.00 C ATOM 751 CG2 ILE A 48 -0.370 2.756 -0.539 1.00 0.00 C ATOM 752 CD1 ILE A 48 2.077 0.072 0.079 1.00 0.00 C ATOM 0 H ILE A 48 2.812 3.091 -2.479 1.00 0.00 H new ATOM 0 HA ILE A 48 1.652 4.478 -0.202 1.00 0.00 H new ATOM 0 HB ILE A 48 1.118 2.239 0.889 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.595 0.638 -1.348 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.187 1.300 -1.662 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.035 1.939 -0.260 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.656 3.658 0.002 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.447 2.936 -1.611 1.00 0.00 H new ATOM 0 HD11 ILE A 48 2.344 -0.831 -0.470 1.00 0.00 H new ATOM 0 HD12 ILE A 48 2.971 0.496 0.537 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.354 -0.177 0.856 1.00 0.00 H new ATOM 764 N PRO A 49 3.702 3.924 1.186 1.00 0.00 N ATOM 765 CA PRO A 49 4.920 3.657 1.943 1.00 0.00 C ATOM 766 C PRO A 49 5.207 2.157 2.068 1.00 0.00 C ATOM 767 O PRO A 49 4.325 1.367 2.401 1.00 0.00 O ATOM 768 CB PRO A 49 4.677 4.275 3.320 1.00 0.00 C ATOM 769 CG PRO A 49 3.239 4.674 3.322 1.00 0.00 C ATOM 770 CD PRO A 49 2.860 4.905 1.879 1.00 0.00 C ATOM 0 HA PRO A 49 5.791 4.080 1.443 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.888 3.560 4.115 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.325 5.136 3.485 1.00 0.00 H new ATOM 0 HG2 PRO A 49 2.620 3.894 3.766 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.087 5.577 3.913 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.799 4.730 1.702 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.073 5.925 1.559 1.00 0.00 H new ATOM 778 N SER A 50 6.416 1.778 1.688 1.00 0.00 N ATOM 779 CA SER A 50 6.827 0.373 1.714 1.00 0.00 C ATOM 780 C SER A 50 7.110 -0.114 3.140 1.00 0.00 C ATOM 781 O SER A 50 6.861 -1.273 3.473 1.00 0.00 O ATOM 782 CB SER A 50 8.058 0.159 0.830 1.00 0.00 C ATOM 783 OG SER A 50 8.962 -0.767 1.412 1.00 0.00 O ATOM 0 H SER A 50 7.135 2.421 1.356 1.00 0.00 H new ATOM 0 HA SER A 50 5.997 -0.215 1.322 1.00 0.00 H new ATOM 0 HB2 SER A 50 7.745 -0.203 -0.149 1.00 0.00 H new ATOM 0 HB3 SER A 50 8.563 1.112 0.671 1.00 0.00 H new ATOM 0 HG SER A 50 9.736 -0.883 0.823 1.00 0.00 H new ATOM 789 N ASN A 51 7.687 0.765 3.949 1.00 0.00 N ATOM 790 CA ASN A 51 8.082 0.410 5.316 1.00 0.00 C ATOM 791 C ASN A 51 6.906 0.163 6.266 1.00 0.00 C ATOM 792 O ASN A 51 7.089 -0.416 7.336 1.00 0.00 O ATOM 793 CB ASN A 51 8.960 1.524 5.895 1.00 0.00 C ATOM 794 CG ASN A 51 10.422 1.134 5.972 1.00 0.00 C ATOM 795 OD1 ASN A 51 11.085 0.963 4.948 1.00 0.00 O ATOM 796 ND2 ASN A 51 10.933 0.991 7.190 1.00 0.00 N ATOM 0 H ASN A 51 7.894 1.729 3.688 1.00 0.00 H new ATOM 0 HA ASN A 51 8.623 -0.533 5.239 1.00 0.00 H new ATOM 0 HB2 ASN A 51 8.858 2.418 5.280 1.00 0.00 H new ATOM 0 HB3 ASN A 51 8.603 1.781 6.892 1.00 0.00 H new ATOM 0 HD21 ASN A 51 11.912 0.729 7.305 1.00 0.00 H new ATOM 0 HD22 ASN A 51 10.346 1.143 8.010 1.00 0.00 H new ATOM 803 N TYR A 52 5.709 0.573 5.881 1.00 0.00 N ATOM 804 CA TYR A 52 4.531 0.376 6.724 1.00 0.00 C ATOM 805 C TYR A 52 3.772 -0.909 6.369 1.00 0.00 C ATOM 806 O TYR A 52 2.779 -1.277 7.030 1.00 0.00 O ATOM 807 CB TYR A 52 3.595 1.577 6.560 1.00 0.00 C ATOM 808 CG TYR A 52 4.060 2.829 7.277 1.00 0.00 C ATOM 809 CD1 TYR A 52 5.398 3.019 7.615 1.00 0.00 C ATOM 810 CD2 TYR A 52 3.155 3.820 7.622 1.00 0.00 C ATOM 811 CE1 TYR A 52 5.812 4.162 8.273 1.00 0.00 C ATOM 812 CE2 TYR A 52 3.562 4.965 8.280 1.00 0.00 C ATOM 813 CZ TYR A 52 4.889 5.131 8.604 1.00 0.00 C ATOM 814 OH TYR A 52 5.296 6.270 9.261 1.00 0.00 O ATOM 0 H TYR A 52 5.523 1.043 4.995 1.00 0.00 H new ATOM 0 HA TYR A 52 4.869 0.284 7.756 1.00 0.00 H new ATOM 0 HB2 TYR A 52 3.489 1.798 5.498 1.00 0.00 H new ATOM 0 HB3 TYR A 52 2.606 1.306 6.930 1.00 0.00 H new ATOM 0 HD1 TYR A 52 6.124 2.261 7.359 1.00 0.00 H new ATOM 0 HD2 TYR A 52 2.112 3.695 7.372 1.00 0.00 H new ATOM 0 HE1 TYR A 52 6.853 4.295 8.527 1.00 0.00 H new ATOM 0 HE2 TYR A 52 2.841 5.727 8.539 1.00 0.00 H new ATOM 0 HH TYR A 52 4.523 6.851 9.419 1.00 0.00 H new ATOM 824 N ILE A 53 4.293 -1.664 5.405 1.00 0.00 N ATOM 825 CA ILE A 53 3.654 -2.909 5.017 1.00 0.00 C ATOM 826 C ILE A 53 4.673 -3.996 4.674 1.00 0.00 C ATOM 827 O ILE A 53 5.850 -3.719 4.442 1.00 0.00 O ATOM 828 CB ILE A 53 2.714 -2.663 3.789 1.00 0.00 C ATOM 829 CG1 ILE A 53 3.215 -3.375 2.521 1.00 0.00 C ATOM 830 CG2 ILE A 53 2.546 -1.165 3.498 1.00 0.00 C ATOM 831 CD1 ILE A 53 4.493 -2.790 1.954 1.00 0.00 C ATOM 0 H ILE A 53 5.142 -1.437 4.888 1.00 0.00 H new ATOM 0 HA ILE A 53 3.072 -3.258 5.870 1.00 0.00 H new ATOM 0 HB ILE A 53 1.746 -3.085 4.061 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.378 -4.429 2.748 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.437 -3.330 1.759 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.887 -1.033 2.640 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.112 -0.672 4.368 1.00 0.00 H new ATOM 0 HG23 ILE A 53 3.519 -0.725 3.280 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.783 -3.345 1.062 1.00 0.00 H new ATOM 0 HD12 ILE A 53 4.330 -1.744 1.694 1.00 0.00 H new ATOM 0 HD13 ILE A 53 5.286 -2.860 2.698 1.00 0.00 H new ATOM 843 N GLU A 54 4.186 -5.242 4.633 1.00 0.00 N ATOM 844 CA GLU A 54 4.981 -6.423 4.314 1.00 0.00 C ATOM 845 C GLU A 54 4.139 -7.432 3.523 1.00 0.00 C ATOM 846 O GLU A 54 2.924 -7.494 3.703 1.00 0.00 O ATOM 847 CB GLU A 54 5.460 -7.115 5.594 1.00 0.00 C ATOM 848 CG GLU A 54 6.579 -6.374 6.306 1.00 0.00 C ATOM 849 CD GLU A 54 7.808 -7.237 6.530 1.00 0.00 C ATOM 850 OE1 GLU A 54 7.691 -8.477 6.433 1.00 0.00 O ATOM 851 OE2 GLU A 54 8.887 -6.670 6.807 1.00 0.00 O ATOM 0 H GLU A 54 3.208 -5.457 4.825 1.00 0.00 H new ATOM 0 HA GLU A 54 5.837 -6.094 3.724 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.616 -7.223 6.276 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.801 -8.120 5.347 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.858 -5.498 5.721 1.00 0.00 H new ATOM 0 HG3 GLU A 54 6.215 -6.012 7.268 1.00 0.00 H new ATOM 858 N MET A 55 4.779 -8.257 2.699 1.00 0.00 N ATOM 859 CA MET A 55 4.052 -9.257 1.909 1.00 0.00 C ATOM 860 C MET A 55 3.417 -10.346 2.776 1.00 0.00 C ATOM 861 O MET A 55 4.109 -11.039 3.521 1.00 0.00 O ATOM 862 CB MET A 55 4.988 -9.892 0.880 1.00 0.00 C ATOM 863 CG MET A 55 5.043 -9.137 -0.437 1.00 0.00 C ATOM 864 SD MET A 55 5.822 -7.519 -0.276 1.00 0.00 S ATOM 865 CE MET A 55 7.351 -7.797 -1.164 1.00 0.00 C ATOM 0 H MET A 55 5.789 -8.257 2.559 1.00 0.00 H new ATOM 0 HA MET A 55 3.240 -8.735 1.402 1.00 0.00 H new ATOM 0 HB2 MET A 55 5.992 -9.948 1.300 1.00 0.00 H new ATOM 0 HB3 MET A 55 4.665 -10.915 0.690 1.00 0.00 H new ATOM 0 HG2 MET A 55 5.592 -9.730 -1.169 1.00 0.00 H new ATOM 0 HG3 MET A 55 4.031 -9.012 -0.823 1.00 0.00 H new ATOM 0 HE1 MET A 55 7.948 -6.885 -1.155 1.00 0.00 H new ATOM 0 HE2 MET A 55 7.909 -8.601 -0.684 1.00 0.00 H new ATOM 0 HE3 MET A 55 7.128 -8.075 -2.194 1.00 0.00 H new