USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 494 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 26 CYS SG : rot 105:sc= -1.18! USER MOD Set 1.2: A 28 CYS SG : rot -167:sc= -0.946 USER MOD Set 1.3: A 48 CYS SG : rot -170:sc= 0.185 USER MOD Set 1.4: A 51 CYS SG : rot -122:sc= -1.82 USER MOD Set 2.1: A 21 MET CE :methyl -138:sc= -1.53 (180deg=-2.72!) USER MOD Set 2.2: A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot -14:sc= 0.488 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 20 GLN :FLIP amide:sc= -0.43 F(o=-1.2,f=-0.43) USER MOD Single : A 23 THR OG1 : rot -126:sc= -0.237 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.0374 K(o=-0.037,f=-1.1) USER MOD Single : A 39 MET CE :methyl 145:sc= -0.0761 (180deg=-0.87) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 129:sc= 0.322 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot -145:sc= 0.796 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 47 N THR A 4 -14.579 11.380 3.673 1.00 0.00 N ATOM 48 CA THR A 4 -13.327 11.555 2.932 1.00 0.00 C ATOM 49 C THR A 4 -13.368 12.806 2.060 1.00 0.00 C ATOM 50 O THR A 4 -14.441 13.331 1.753 1.00 0.00 O ATOM 51 CB THR A 4 -13.041 10.330 2.058 1.00 0.00 C ATOM 52 OG1 THR A 4 -14.246 9.752 1.585 1.00 0.00 O ATOM 53 CG2 THR A 4 -12.261 9.251 2.779 1.00 0.00 C ATOM 0 HA THR A 4 -12.528 11.669 3.664 1.00 0.00 H new ATOM 0 HB THR A 4 -12.436 10.702 1.231 1.00 0.00 H new ATOM 0 HG1 THR A 4 -15.003 10.116 2.089 1.00 0.00 H new ATOM 0 HG21 THR A 4 -12.092 8.412 2.104 1.00 0.00 H new ATOM 0 HG22 THR A 4 -11.302 9.652 3.106 1.00 0.00 H new ATOM 0 HG23 THR A 4 -12.827 8.911 3.646 1.00 0.00 H new ATOM 61 N TYR A 5 -12.186 13.276 1.661 1.00 0.00 N ATOM 62 CA TYR A 5 -12.074 14.465 0.819 1.00 0.00 C ATOM 63 C TYR A 5 -11.660 14.100 -0.609 1.00 0.00 C ATOM 64 O TYR A 5 -12.134 14.708 -1.572 1.00 0.00 O ATOM 65 CB TYR A 5 -11.070 15.449 1.426 1.00 0.00 C ATOM 66 CG TYR A 5 -11.521 16.028 2.752 1.00 0.00 C ATOM 67 CD1 TYR A 5 -11.280 15.355 3.943 1.00 0.00 C ATOM 68 CD2 TYR A 5 -12.192 17.244 2.810 1.00 0.00 C ATOM 69 CE1 TYR A 5 -11.695 15.876 5.154 1.00 0.00 C ATOM 70 CE2 TYR A 5 -12.609 17.772 4.018 1.00 0.00 C ATOM 71 CZ TYR A 5 -12.358 17.083 5.186 1.00 0.00 C ATOM 72 OH TYR A 5 -12.774 17.604 6.389 1.00 0.00 O ATOM 0 H TYR A 5 -11.293 12.850 1.908 1.00 0.00 H new ATOM 0 HA TYR A 5 -13.055 14.938 0.773 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -10.115 14.942 1.565 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -10.899 16.263 0.722 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -10.760 14.409 3.922 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -12.391 17.785 1.897 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -11.500 15.339 6.071 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -13.128 18.719 4.047 1.00 0.00 H new ATOM 0 HH TYR A 5 -13.224 18.461 6.236 1.00 0.00 H new ATOM 82 N ASP A 6 -10.776 13.106 -0.741 1.00 0.00 N ATOM 83 CA ASP A 6 -10.303 12.663 -2.054 1.00 0.00 C ATOM 84 C ASP A 6 -10.062 11.150 -2.080 1.00 0.00 C ATOM 85 O ASP A 6 -9.931 10.513 -1.032 1.00 0.00 O ATOM 86 CB ASP A 6 -9.019 13.405 -2.437 1.00 0.00 C ATOM 87 CG ASP A 6 -8.918 13.650 -3.931 1.00 0.00 C ATOM 88 OD1 ASP A 6 -9.469 14.666 -4.404 1.00 0.00 O ATOM 89 OD2 ASP A 6 -8.293 12.823 -4.629 1.00 0.00 O ATOM 0 H ASP A 6 -10.375 12.594 0.045 1.00 0.00 H new ATOM 0 HA ASP A 6 -11.081 12.895 -2.782 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -8.983 14.359 -1.912 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -8.156 12.827 -2.107 1.00 0.00 H new ATOM 94 N GLU A 7 -10.006 10.585 -3.292 1.00 0.00 N ATOM 95 CA GLU A 7 -9.784 9.148 -3.474 1.00 0.00 C ATOM 96 C GLU A 7 -8.866 8.878 -4.669 1.00 0.00 C ATOM 97 O GLU A 7 -8.935 9.576 -5.682 1.00 0.00 O ATOM 98 CB GLU A 7 -11.121 8.428 -3.683 1.00 0.00 C ATOM 99 CG GLU A 7 -12.161 8.743 -2.619 1.00 0.00 C ATOM 100 CD GLU A 7 -13.390 7.856 -2.713 1.00 0.00 C ATOM 101 OE1 GLU A 7 -13.229 6.620 -2.807 1.00 0.00 O ATOM 102 OE2 GLU A 7 -14.514 8.399 -2.690 1.00 0.00 O ATOM 0 H GLU A 7 -10.112 11.104 -4.163 1.00 0.00 H new ATOM 0 HA GLU A 7 -9.302 8.768 -2.573 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -11.521 8.700 -4.660 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -10.945 7.352 -3.699 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -11.711 8.628 -1.633 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -12.464 9.786 -2.712 1.00 0.00 H new ATOM 109 N ILE A 8 -8.012 7.857 -4.543 1.00 0.00 N ATOM 110 CA ILE A 8 -7.078 7.485 -5.612 1.00 0.00 C ATOM 111 C ILE A 8 -7.008 5.963 -5.779 1.00 0.00 C ATOM 112 O ILE A 8 -7.224 5.215 -4.824 1.00 0.00 O ATOM 113 CB ILE A 8 -5.649 8.021 -5.336 1.00 0.00 C ATOM 114 CG1 ILE A 8 -5.686 9.503 -4.944 1.00 0.00 C ATOM 115 CG2 ILE A 8 -4.755 7.818 -6.553 1.00 0.00 C ATOM 116 CD1 ILE A 8 -5.788 9.734 -3.452 1.00 0.00 C ATOM 0 H ILE A 8 -7.948 7.272 -3.710 1.00 0.00 H new ATOM 0 HA ILE A 8 -7.458 7.937 -6.528 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.234 7.456 -4.501 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.786 9.991 -5.318 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.535 9.979 -5.435 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.757 8.201 -6.339 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -4.694 6.755 -6.786 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -5.174 8.353 -7.405 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.809 10.805 -3.250 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.702 9.275 -3.074 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -4.926 9.288 -2.955 1.00 0.00 H new ATOM 128 N GLU A 9 -6.691 5.512 -6.996 1.00 0.00 N ATOM 129 CA GLU A 9 -6.578 4.081 -7.285 1.00 0.00 C ATOM 130 C GLU A 9 -5.118 3.628 -7.238 1.00 0.00 C ATOM 131 O GLU A 9 -4.205 4.425 -7.459 1.00 0.00 O ATOM 132 CB GLU A 9 -7.183 3.756 -8.661 1.00 0.00 C ATOM 133 CG GLU A 9 -6.537 4.507 -9.821 1.00 0.00 C ATOM 134 CD GLU A 9 -7.308 5.754 -10.214 1.00 0.00 C ATOM 135 OE1 GLU A 9 -8.332 5.623 -10.917 1.00 0.00 O ATOM 136 OE2 GLU A 9 -6.887 6.862 -9.816 1.00 0.00 O ATOM 0 H GLU A 9 -6.508 6.118 -7.796 1.00 0.00 H new ATOM 0 HA GLU A 9 -7.134 3.541 -6.519 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -7.093 2.685 -8.841 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -8.248 3.987 -8.641 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.520 4.785 -9.546 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -6.464 3.843 -10.683 1.00 0.00 H new ATOM 143 N ILE A 10 -4.909 2.339 -6.949 1.00 0.00 N ATOM 144 CA ILE A 10 -3.556 1.767 -6.876 1.00 0.00 C ATOM 145 C ILE A 10 -2.765 2.022 -8.163 1.00 0.00 C ATOM 146 O ILE A 10 -1.540 2.135 -8.129 1.00 0.00 O ATOM 147 CB ILE A 10 -3.574 0.244 -6.579 1.00 0.00 C ATOM 148 CG1 ILE A 10 -4.148 -0.562 -7.759 1.00 0.00 C ATOM 149 CG2 ILE A 10 -4.348 -0.045 -5.304 1.00 0.00 C ATOM 150 CD1 ILE A 10 -5.627 -0.340 -8.009 1.00 0.00 C ATOM 0 H ILE A 10 -5.657 1.671 -6.762 1.00 0.00 H new ATOM 0 HA ILE A 10 -3.063 2.273 -6.046 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.541 -0.074 -6.438 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.596 -0.303 -8.663 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -3.978 -1.623 -7.575 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -4.348 -1.118 -5.114 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.877 0.471 -4.468 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -5.375 0.304 -5.414 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -5.948 -0.946 -8.857 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -6.193 -0.628 -7.123 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -5.805 0.713 -8.227 1.00 0.00 H new ATOM 162 N GLU A 11 -3.475 2.118 -9.293 1.00 0.00 N ATOM 163 CA GLU A 11 -2.843 2.370 -10.588 1.00 0.00 C ATOM 164 C GLU A 11 -2.008 3.654 -10.552 1.00 0.00 C ATOM 165 O GLU A 11 -0.926 3.716 -11.137 1.00 0.00 O ATOM 166 CB GLU A 11 -3.911 2.480 -11.681 1.00 0.00 C ATOM 167 CG GLU A 11 -3.463 1.943 -13.031 1.00 0.00 C ATOM 168 CD GLU A 11 -4.608 1.811 -14.017 1.00 0.00 C ATOM 169 OE1 GLU A 11 -5.025 2.842 -14.586 1.00 0.00 O ATOM 170 OE2 GLU A 11 -5.089 0.676 -14.221 1.00 0.00 O ATOM 0 H GLU A 11 -4.490 2.024 -9.334 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.180 1.533 -10.810 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.801 1.938 -11.362 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -4.197 3.526 -11.793 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.705 2.606 -13.448 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.994 0.969 -12.893 1.00 0.00 H new ATOM 177 N ASP A 12 -2.520 4.677 -9.865 1.00 0.00 N ATOM 178 CA ASP A 12 -1.827 5.962 -9.754 1.00 0.00 C ATOM 179 C ASP A 12 -0.992 6.043 -8.470 1.00 0.00 C ATOM 180 O ASP A 12 -0.790 7.128 -7.922 1.00 0.00 O ATOM 181 CB ASP A 12 -2.842 7.110 -9.789 1.00 0.00 C ATOM 182 CG ASP A 12 -3.466 7.298 -11.159 1.00 0.00 C ATOM 183 OD1 ASP A 12 -4.172 6.378 -11.622 1.00 0.00 O ATOM 184 OD2 ASP A 12 -3.250 8.368 -11.767 1.00 0.00 O ATOM 0 H ASP A 12 -3.414 4.640 -9.376 1.00 0.00 H new ATOM 0 HA ASP A 12 -1.148 6.049 -10.602 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -3.628 6.917 -9.059 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -2.349 8.035 -9.489 1.00 0.00 H new ATOM 189 N MET A 13 -0.506 4.895 -7.995 1.00 0.00 N ATOM 190 CA MET A 13 0.302 4.846 -6.780 1.00 0.00 C ATOM 191 C MET A 13 1.729 4.398 -7.092 1.00 0.00 C ATOM 192 O MET A 13 1.937 3.459 -7.863 1.00 0.00 O ATOM 193 CB MET A 13 -0.338 3.896 -5.763 1.00 0.00 C ATOM 194 CG MET A 13 -0.186 4.349 -4.320 1.00 0.00 C ATOM 195 SD MET A 13 -1.654 5.192 -3.698 1.00 0.00 S ATOM 196 CE MET A 13 -1.651 4.659 -1.988 1.00 0.00 C ATOM 0 H MET A 13 -0.659 3.988 -8.435 1.00 0.00 H new ATOM 0 HA MET A 13 0.344 5.849 -6.355 1.00 0.00 H new ATOM 0 HB2 MET A 13 -1.399 3.794 -5.992 1.00 0.00 H new ATOM 0 HB3 MET A 13 0.108 2.907 -5.873 1.00 0.00 H new ATOM 0 HG2 MET A 13 0.025 3.483 -3.692 1.00 0.00 H new ATOM 0 HG3 MET A 13 0.672 5.016 -4.241 1.00 0.00 H new ATOM 0 HE1 MET A 13 -2.502 5.099 -1.468 1.00 0.00 H new ATOM 0 HE2 MET A 13 -1.722 3.572 -1.946 1.00 0.00 H new ATOM 0 HE3 MET A 13 -0.727 4.982 -1.508 1.00 0.00 H new ATOM 206 N THR A 14 2.708 5.071 -6.486 1.00 0.00 N ATOM 207 CA THR A 14 4.114 4.734 -6.695 1.00 0.00 C ATOM 208 C THR A 14 4.456 3.417 -6.004 1.00 0.00 C ATOM 209 O THR A 14 4.626 3.372 -4.785 1.00 0.00 O ATOM 210 CB THR A 14 5.026 5.849 -6.171 1.00 0.00 C ATOM 211 OG1 THR A 14 4.637 7.110 -6.690 1.00 0.00 O ATOM 212 CG2 THR A 14 6.484 5.638 -6.521 1.00 0.00 C ATOM 0 H THR A 14 2.552 5.851 -5.848 1.00 0.00 H new ATOM 0 HA THR A 14 4.278 4.625 -7.767 1.00 0.00 H new ATOM 0 HB THR A 14 4.918 5.823 -5.087 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.232 7.805 -6.340 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.077 6.461 -6.122 1.00 0.00 H new ATOM 0 HG22 THR A 14 6.830 4.699 -6.089 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.597 5.602 -7.605 1.00 0.00 H new ATOM 220 N PHE A 15 4.549 2.348 -6.788 1.00 0.00 N ATOM 221 CA PHE A 15 4.866 1.030 -6.246 1.00 0.00 C ATOM 222 C PHE A 15 6.366 0.881 -6.012 1.00 0.00 C ATOM 223 O PHE A 15 7.176 1.200 -6.885 1.00 0.00 O ATOM 224 CB PHE A 15 4.365 -0.084 -7.178 1.00 0.00 C ATOM 225 CG PHE A 15 4.771 0.082 -8.620 1.00 0.00 C ATOM 226 CD1 PHE A 15 5.985 -0.413 -9.076 1.00 0.00 C ATOM 227 CD2 PHE A 15 3.937 0.729 -9.521 1.00 0.00 C ATOM 228 CE1 PHE A 15 6.357 -0.264 -10.398 1.00 0.00 C ATOM 229 CE2 PHE A 15 4.306 0.879 -10.844 1.00 0.00 C ATOM 230 CZ PHE A 15 5.517 0.383 -11.284 1.00 0.00 C ATOM 0 H PHE A 15 4.410 2.367 -7.798 1.00 0.00 H new ATOM 0 HA PHE A 15 4.355 0.937 -5.288 1.00 0.00 H new ATOM 0 HB2 PHE A 15 4.740 -1.041 -6.815 1.00 0.00 H new ATOM 0 HB3 PHE A 15 3.277 -0.126 -7.122 1.00 0.00 H new ATOM 0 HD1 PHE A 15 6.646 -0.920 -8.389 1.00 0.00 H new ATOM 0 HD2 PHE A 15 2.988 1.120 -9.184 1.00 0.00 H new ATOM 0 HE1 PHE A 15 7.305 -0.653 -10.739 1.00 0.00 H new ATOM 0 HE2 PHE A 15 3.647 1.384 -11.534 1.00 0.00 H new ATOM 0 HZ PHE A 15 5.807 0.500 -12.318 1.00 0.00 H new ATOM 240 N GLU A 16 6.729 0.396 -4.827 1.00 0.00 N ATOM 241 CA GLU A 16 8.130 0.201 -4.473 1.00 0.00 C ATOM 242 C GLU A 16 8.470 -1.285 -4.425 1.00 0.00 C ATOM 243 O GLU A 16 8.255 -1.946 -3.405 1.00 0.00 O ATOM 244 CB GLU A 16 8.437 0.848 -3.121 1.00 0.00 C ATOM 245 CG GLU A 16 7.969 2.292 -3.009 1.00 0.00 C ATOM 246 CD GLU A 16 8.829 3.263 -3.803 1.00 0.00 C ATOM 247 OE1 GLU A 16 10.014 2.954 -4.049 1.00 0.00 O ATOM 248 OE2 GLU A 16 8.313 4.335 -4.179 1.00 0.00 O ATOM 0 H GLU A 16 6.070 0.131 -4.095 1.00 0.00 H new ATOM 0 HA GLU A 16 8.742 0.677 -5.239 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.965 0.261 -2.333 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.512 0.810 -2.947 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.938 2.361 -3.357 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.972 2.588 -1.960 1.00 0.00 H new ATOM 255 N PRO A 17 9.004 -1.837 -5.532 1.00 0.00 N ATOM 256 CA PRO A 17 9.374 -3.254 -5.609 1.00 0.00 C ATOM 257 C PRO A 17 10.657 -3.565 -4.830 1.00 0.00 C ATOM 258 O PRO A 17 11.644 -4.038 -5.397 1.00 0.00 O ATOM 259 CB PRO A 17 9.575 -3.479 -7.110 1.00 0.00 C ATOM 260 CG PRO A 17 9.985 -2.148 -7.642 1.00 0.00 C ATOM 261 CD PRO A 17 9.287 -1.120 -6.793 1.00 0.00 C ATOM 0 HA PRO A 17 8.619 -3.904 -5.166 1.00 0.00 H new ATOM 0 HB2 PRO A 17 10.339 -4.233 -7.298 1.00 0.00 H new ATOM 0 HB3 PRO A 17 8.658 -3.829 -7.584 1.00 0.00 H new ATOM 0 HG2 PRO A 17 11.067 -2.025 -7.590 1.00 0.00 H new ATOM 0 HG3 PRO A 17 9.702 -2.044 -8.689 1.00 0.00 H new ATOM 0 HD2 PRO A 17 9.917 -0.247 -6.624 1.00 0.00 H new ATOM 0 HD3 PRO A 17 8.371 -0.766 -7.266 1.00 0.00 H new ATOM 269 N GLU A 18 10.632 -3.291 -3.525 1.00 0.00 N ATOM 270 CA GLU A 18 11.785 -3.535 -2.660 1.00 0.00 C ATOM 271 C GLU A 18 11.383 -4.356 -1.433 1.00 0.00 C ATOM 272 O GLU A 18 12.026 -5.356 -1.109 1.00 0.00 O ATOM 273 CB GLU A 18 12.420 -2.204 -2.231 1.00 0.00 C ATOM 274 CG GLU A 18 11.460 -1.256 -1.523 1.00 0.00 C ATOM 275 CD GLU A 18 12.016 0.149 -1.387 1.00 0.00 C ATOM 276 OE1 GLU A 18 11.893 0.932 -2.352 1.00 0.00 O ATOM 277 OE2 GLU A 18 12.574 0.466 -0.315 1.00 0.00 O ATOM 0 H GLU A 18 9.823 -2.899 -3.044 1.00 0.00 H new ATOM 0 HA GLU A 18 12.521 -4.108 -3.224 1.00 0.00 H new ATOM 0 HB2 GLU A 18 13.262 -2.412 -1.570 1.00 0.00 H new ATOM 0 HB3 GLU A 18 12.822 -1.705 -3.113 1.00 0.00 H new ATOM 0 HG2 GLU A 18 10.521 -1.218 -2.075 1.00 0.00 H new ATOM 0 HG3 GLU A 18 11.232 -1.649 -0.532 1.00 0.00 H new ATOM 284 N ASN A 19 10.310 -3.929 -0.762 1.00 0.00 N ATOM 285 CA ASN A 19 9.811 -4.623 0.422 1.00 0.00 C ATOM 286 C ASN A 19 8.278 -4.685 0.418 1.00 0.00 C ATOM 287 O ASN A 19 7.646 -4.734 1.475 1.00 0.00 O ATOM 288 CB ASN A 19 10.314 -3.929 1.692 1.00 0.00 C ATOM 289 CG ASN A 19 11.645 -4.487 2.164 1.00 0.00 C ATOM 290 OD1 ASN A 19 11.750 -5.666 2.501 1.00 0.00 O ATOM 291 ND2 ASN A 19 12.671 -3.643 2.189 1.00 0.00 N ATOM 0 H ASN A 19 9.771 -3.103 -1.022 1.00 0.00 H new ATOM 0 HA ASN A 19 10.190 -5.645 0.404 1.00 0.00 H new ATOM 0 HB2 ASN A 19 10.417 -2.860 1.503 1.00 0.00 H new ATOM 0 HB3 ASN A 19 9.573 -4.043 2.484 1.00 0.00 H new ATOM 0 HD21 ASN A 19 13.589 -3.965 2.496 1.00 0.00 H new ATOM 0 HD22 ASN A 19 12.541 -2.673 1.901 1.00 0.00 H new ATOM 298 N GLN A 20 7.689 -4.695 -0.785 1.00 0.00 N ATOM 299 CA GLN A 20 6.235 -4.763 -0.948 1.00 0.00 C ATOM 300 C GLN A 20 5.533 -3.584 -0.259 1.00 0.00 C ATOM 301 O GLN A 20 4.732 -3.774 0.661 1.00 0.00 O ATOM 302 CB GLN A 20 5.697 -6.092 -0.402 1.00 0.00 C ATOM 303 CG GLN A 20 6.344 -7.323 -1.022 1.00 0.00 C ATOM 304 CD GLN A 20 5.449 -8.006 -2.038 1.00 0.00 C ATOM 305 OE1 GLN A 20 5.459 -7.508 -3.270 1.00 0.00 O flip ATOM 306 NE2 GLN A 20 4.757 -8.969 -1.721 1.00 0.00 N flip ATOM 0 H GLN A 20 8.204 -4.656 -1.665 1.00 0.00 H new ATOM 0 HA GLN A 20 6.020 -4.702 -2.015 1.00 0.00 H new ATOM 0 HB2 GLN A 20 5.850 -6.118 0.677 1.00 0.00 H new ATOM 0 HB3 GLN A 20 4.621 -6.134 -0.573 1.00 0.00 H new ATOM 0 HG2 GLN A 20 7.278 -7.034 -1.503 1.00 0.00 H new ATOM 0 HG3 GLN A 20 6.598 -8.031 -0.233 1.00 0.00 H new ATOM 0 HE21 GLN A 20 4.779 -9.320 -0.763 1.00 0.00 H new ATOM 0 HE22 GLN A 20 4.160 -9.418 -2.415 1.00 0.00 H new ATOM 315 N MET A 21 5.835 -2.367 -0.715 1.00 0.00 N ATOM 316 CA MET A 21 5.231 -1.161 -0.148 1.00 0.00 C ATOM 317 C MET A 21 4.770 -0.207 -1.253 1.00 0.00 C ATOM 318 O MET A 21 5.447 -0.049 -2.270 1.00 0.00 O ATOM 319 CB MET A 21 6.221 -0.447 0.781 1.00 0.00 C ATOM 320 CG MET A 21 7.462 0.079 0.076 1.00 0.00 C ATOM 321 SD MET A 21 8.619 0.871 1.210 1.00 0.00 S ATOM 322 CE MET A 21 9.513 -0.551 1.828 1.00 0.00 C ATOM 0 H MET A 21 6.493 -2.191 -1.474 1.00 0.00 H new ATOM 0 HA MET A 21 4.360 -1.465 0.432 1.00 0.00 H new ATOM 0 HB2 MET A 21 5.712 0.385 1.267 1.00 0.00 H new ATOM 0 HB3 MET A 21 6.527 -1.137 1.568 1.00 0.00 H new ATOM 0 HG2 MET A 21 7.963 -0.745 -0.432 1.00 0.00 H new ATOM 0 HG3 MET A 21 7.164 0.793 -0.691 1.00 0.00 H new ATOM 0 HE1 MET A 21 9.664 -0.447 2.902 1.00 0.00 H new ATOM 0 HE2 MET A 21 8.940 -1.456 1.628 1.00 0.00 H new ATOM 0 HE3 MET A 21 10.480 -0.617 1.330 1.00 0.00 H new ATOM 332 N PHE A 22 3.617 0.427 -1.041 1.00 0.00 N ATOM 333 CA PHE A 22 3.063 1.371 -2.011 1.00 0.00 C ATOM 334 C PHE A 22 3.112 2.794 -1.460 1.00 0.00 C ATOM 335 O PHE A 22 2.612 3.061 -0.367 1.00 0.00 O ATOM 336 CB PHE A 22 1.617 0.997 -2.357 1.00 0.00 C ATOM 337 CG PHE A 22 1.489 0.062 -3.528 1.00 0.00 C ATOM 338 CD1 PHE A 22 2.239 -1.102 -3.596 1.00 0.00 C ATOM 339 CD2 PHE A 22 0.608 0.347 -4.560 1.00 0.00 C ATOM 340 CE1 PHE A 22 2.113 -1.962 -4.670 1.00 0.00 C ATOM 341 CE2 PHE A 22 0.479 -0.508 -5.636 1.00 0.00 C ATOM 342 CZ PHE A 22 1.231 -1.664 -5.692 1.00 0.00 C ATOM 0 H PHE A 22 3.047 0.303 -0.204 1.00 0.00 H new ATOM 0 HA PHE A 22 3.667 1.323 -2.917 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.154 0.536 -1.485 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.058 1.908 -2.570 1.00 0.00 H new ATOM 0 HD1 PHE A 22 2.930 -1.339 -2.800 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.015 1.249 -4.522 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.703 -2.866 -4.711 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.210 -0.273 -6.434 1.00 0.00 H new ATOM 0 HZ PHE A 22 1.131 -2.335 -6.533 1.00 0.00 H new ATOM 352 N THR A 23 3.721 3.702 -2.218 1.00 0.00 N ATOM 353 CA THR A 23 3.839 5.096 -1.799 1.00 0.00 C ATOM 354 C THR A 23 3.102 6.030 -2.760 1.00 0.00 C ATOM 355 O THR A 23 2.811 5.662 -3.896 1.00 0.00 O ATOM 356 CB THR A 23 5.316 5.497 -1.705 1.00 0.00 C ATOM 357 OG1 THR A 23 5.899 5.584 -2.995 1.00 0.00 O ATOM 358 CG2 THR A 23 6.150 4.531 -0.884 1.00 0.00 C ATOM 0 H THR A 23 4.140 3.498 -3.125 1.00 0.00 H new ATOM 0 HA THR A 23 3.378 5.191 -0.816 1.00 0.00 H new ATOM 0 HB THR A 23 5.319 6.467 -1.207 1.00 0.00 H new ATOM 0 HG1 THR A 23 6.705 5.028 -3.028 1.00 0.00 H new ATOM 0 HG21 THR A 23 7.184 4.874 -0.858 1.00 0.00 H new ATOM 0 HG22 THR A 23 5.758 4.484 0.132 1.00 0.00 H new ATOM 0 HG23 THR A 23 6.108 3.540 -1.335 1.00 0.00 H new ATOM 366 N TYR A 24 2.801 7.243 -2.292 1.00 0.00 N ATOM 367 CA TYR A 24 2.097 8.230 -3.110 1.00 0.00 C ATOM 368 C TYR A 24 2.356 9.648 -2.602 1.00 0.00 C ATOM 369 O TYR A 24 2.314 9.896 -1.399 1.00 0.00 O ATOM 370 CB TYR A 24 0.589 7.946 -3.106 1.00 0.00 C ATOM 371 CG TYR A 24 -0.220 8.903 -3.959 1.00 0.00 C ATOM 372 CD1 TYR A 24 -0.544 10.174 -3.496 1.00 0.00 C ATOM 373 CD2 TYR A 24 -0.655 8.537 -5.226 1.00 0.00 C ATOM 374 CE1 TYR A 24 -1.277 11.050 -4.272 1.00 0.00 C ATOM 375 CE2 TYR A 24 -1.387 9.409 -6.008 1.00 0.00 C ATOM 376 CZ TYR A 24 -1.696 10.663 -5.527 1.00 0.00 C ATOM 377 OH TYR A 24 -2.425 11.534 -6.304 1.00 0.00 O ATOM 0 H TYR A 24 3.034 7.564 -1.352 1.00 0.00 H new ATOM 0 HA TYR A 24 2.475 8.153 -4.129 1.00 0.00 H new ATOM 0 HB2 TYR A 24 0.420 6.929 -3.459 1.00 0.00 H new ATOM 0 HB3 TYR A 24 0.224 7.992 -2.080 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -0.217 10.481 -2.513 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -0.417 7.554 -5.606 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -1.521 12.033 -3.898 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -1.716 9.109 -6.992 1.00 0.00 H new ATOM 0 HH TYR A 24 -2.640 11.107 -7.160 1.00 0.00 H new ATOM 387 N PRO A 25 2.616 10.602 -3.516 1.00 0.00 N ATOM 388 CA PRO A 25 2.867 11.998 -3.145 1.00 0.00 C ATOM 389 C PRO A 25 1.603 12.692 -2.641 1.00 0.00 C ATOM 390 O PRO A 25 0.822 13.231 -3.428 1.00 0.00 O ATOM 391 CB PRO A 25 3.351 12.631 -4.452 1.00 0.00 C ATOM 392 CG PRO A 25 2.734 11.800 -5.523 1.00 0.00 C ATOM 393 CD PRO A 25 2.673 10.400 -4.978 1.00 0.00 C ATOM 0 HA PRO A 25 3.584 12.087 -2.329 1.00 0.00 H new ATOM 0 HB2 PRO A 25 3.038 13.672 -4.528 1.00 0.00 H new ATOM 0 HB3 PRO A 25 4.439 12.620 -4.519 1.00 0.00 H new ATOM 0 HG2 PRO A 25 1.738 12.164 -5.775 1.00 0.00 H new ATOM 0 HG3 PRO A 25 3.327 11.838 -6.437 1.00 0.00 H new ATOM 0 HD2 PRO A 25 1.797 9.865 -5.344 1.00 0.00 H new ATOM 0 HD3 PRO A 25 3.547 9.817 -5.269 1.00 0.00 H new ATOM 401 N CYS A 26 1.406 12.669 -1.321 1.00 0.00 N ATOM 402 CA CYS A 26 0.236 13.295 -0.707 1.00 0.00 C ATOM 403 C CYS A 26 0.156 14.773 -1.083 1.00 0.00 C ATOM 404 O CYS A 26 1.176 15.466 -1.117 1.00 0.00 O ATOM 405 CB CYS A 26 0.286 13.147 0.819 1.00 0.00 C ATOM 406 SG CYS A 26 -1.184 13.790 1.689 1.00 0.00 S ATOM 0 H CYS A 26 2.041 12.224 -0.659 1.00 0.00 H new ATOM 0 HA CYS A 26 -0.654 12.790 -1.082 1.00 0.00 H new ATOM 0 HB2 CYS A 26 0.406 12.092 1.066 1.00 0.00 H new ATOM 0 HB3 CYS A 26 1.169 13.664 1.193 1.00 0.00 H new ATOM 0 HG CYS A 26 -1.922 12.796 2.087 1.00 0.00 H new ATOM 411 N PRO A 27 -1.061 15.274 -1.372 1.00 0.00 N ATOM 412 CA PRO A 27 -1.278 16.677 -1.748 1.00 0.00 C ATOM 413 C PRO A 27 -0.687 17.666 -0.739 1.00 0.00 C ATOM 414 O PRO A 27 -0.358 18.797 -1.098 1.00 0.00 O ATOM 415 CB PRO A 27 -2.807 16.821 -1.797 1.00 0.00 C ATOM 416 CG PRO A 27 -3.354 15.584 -1.165 1.00 0.00 C ATOM 417 CD PRO A 27 -2.320 14.515 -1.358 1.00 0.00 C ATOM 0 HA PRO A 27 -0.785 16.908 -2.692 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.133 17.711 -1.259 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.157 16.923 -2.824 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -3.553 15.745 -0.105 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -4.299 15.298 -1.627 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -2.341 13.782 -0.551 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -2.473 13.969 -2.289 1.00 0.00 H new ATOM 425 N CYS A 28 -0.556 17.240 0.521 1.00 0.00 N ATOM 426 CA CYS A 28 -0.005 18.105 1.564 1.00 0.00 C ATOM 427 C CYS A 28 1.514 18.251 1.423 1.00 0.00 C ATOM 428 O CYS A 28 2.060 19.339 1.629 1.00 0.00 O ATOM 429 CB CYS A 28 -0.367 17.571 2.957 1.00 0.00 C ATOM 430 SG CYS A 28 0.865 16.445 3.691 1.00 0.00 S ATOM 0 H CYS A 28 -0.822 16.308 0.840 1.00 0.00 H new ATOM 0 HA CYS A 28 -0.449 19.093 1.444 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -0.510 18.417 3.629 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -1.322 17.050 2.893 1.00 0.00 H new ATOM 0 HG CYS A 28 0.346 15.847 4.722 1.00 0.00 H new ATOM 435 N GLY A 29 2.192 17.155 1.077 1.00 0.00 N ATOM 436 CA GLY A 29 3.637 17.190 0.922 1.00 0.00 C ATOM 437 C GLY A 29 4.301 15.862 1.244 1.00 0.00 C ATOM 438 O GLY A 29 5.258 15.466 0.576 1.00 0.00 O ATOM 0 H GLY A 29 1.765 16.245 0.902 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.880 17.473 -0.102 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.048 17.962 1.572 1.00 0.00 H new ATOM 442 N ASP A 30 3.800 15.171 2.269 1.00 0.00 N ATOM 443 CA ASP A 30 4.360 13.882 2.672 1.00 0.00 C ATOM 444 C ASP A 30 4.017 12.786 1.656 1.00 0.00 C ATOM 445 O ASP A 30 3.409 13.055 0.618 1.00 0.00 O ATOM 446 CB ASP A 30 3.857 13.494 4.069 1.00 0.00 C ATOM 447 CG ASP A 30 4.948 12.899 4.943 1.00 0.00 C ATOM 448 OD1 ASP A 30 5.631 11.953 4.490 1.00 0.00 O ATOM 449 OD2 ASP A 30 5.120 13.378 6.084 1.00 0.00 O ATOM 0 H ASP A 30 3.009 15.482 2.833 1.00 0.00 H new ATOM 0 HA ASP A 30 5.445 13.982 2.704 1.00 0.00 H new ATOM 0 HB2 ASP A 30 3.445 14.376 4.560 1.00 0.00 H new ATOM 0 HB3 ASP A 30 3.044 12.775 3.971 1.00 0.00 H new ATOM 454 N ARG A 31 4.419 11.552 1.957 1.00 0.00 N ATOM 455 CA ARG A 31 4.168 10.422 1.069 1.00 0.00 C ATOM 456 C ARG A 31 3.261 9.385 1.733 1.00 0.00 C ATOM 457 O ARG A 31 3.575 8.873 2.809 1.00 0.00 O ATOM 458 CB ARG A 31 5.495 9.774 0.673 1.00 0.00 C ATOM 459 CG ARG A 31 5.516 9.226 -0.748 1.00 0.00 C ATOM 460 CD ARG A 31 6.860 8.591 -1.091 1.00 0.00 C ATOM 461 NE ARG A 31 7.347 7.713 -0.025 1.00 0.00 N ATOM 462 CZ ARG A 31 8.120 8.117 0.988 1.00 0.00 C ATOM 463 NH1 ARG A 31 8.543 9.378 1.054 1.00 0.00 N ATOM 464 NH2 ARG A 31 8.478 7.257 1.935 1.00 0.00 N ATOM 0 H ARG A 31 4.921 11.311 2.812 1.00 0.00 H new ATOM 0 HA ARG A 31 3.660 10.794 0.179 1.00 0.00 H new ATOM 0 HB2 ARG A 31 6.293 10.509 0.780 1.00 0.00 H new ATOM 0 HB3 ARG A 31 5.713 8.963 1.368 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.724 8.486 -0.864 1.00 0.00 H new ATOM 0 HG3 ARG A 31 5.305 10.031 -1.451 1.00 0.00 H new ATOM 0 HD2 ARG A 31 6.764 8.020 -2.014 1.00 0.00 H new ATOM 0 HD3 ARG A 31 7.594 9.376 -1.276 1.00 0.00 H new ATOM 0 HE ARG A 31 7.079 6.729 -0.058 1.00 0.00 H new ATOM 0 HH11 ARG A 31 8.277 10.044 0.328 1.00 0.00 H new ATOM 0 HH12 ARG A 31 9.133 9.678 1.830 1.00 0.00 H new ATOM 0 HH21 ARG A 31 8.163 6.288 1.889 1.00 0.00 H new ATOM 0 HH22 ARG A 31 9.068 7.566 2.708 1.00 0.00 H new ATOM 478 N PHE A 32 2.143 9.075 1.078 1.00 0.00 N ATOM 479 CA PHE A 32 1.191 8.093 1.592 1.00 0.00 C ATOM 480 C PHE A 32 1.742 6.675 1.436 1.00 0.00 C ATOM 481 O PHE A 32 1.686 6.097 0.349 1.00 0.00 O ATOM 482 CB PHE A 32 -0.149 8.213 0.856 1.00 0.00 C ATOM 483 CG PHE A 32 -1.240 8.851 1.671 1.00 0.00 C ATOM 484 CD1 PHE A 32 -1.737 8.224 2.803 1.00 0.00 C ATOM 485 CD2 PHE A 32 -1.776 10.074 1.298 1.00 0.00 C ATOM 486 CE1 PHE A 32 -2.747 8.805 3.547 1.00 0.00 C ATOM 487 CE2 PHE A 32 -2.787 10.658 2.037 1.00 0.00 C ATOM 488 CZ PHE A 32 -3.272 10.023 3.163 1.00 0.00 C ATOM 0 H PHE A 32 1.874 9.492 0.187 1.00 0.00 H new ATOM 0 HA PHE A 32 1.034 8.294 2.652 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.001 8.795 -0.053 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.473 7.219 0.549 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -1.331 7.271 3.107 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -1.399 10.576 0.419 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -3.125 8.307 4.428 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -3.197 11.610 1.734 1.00 0.00 H new ATOM 0 HZ PHE A 32 -4.061 10.478 3.743 1.00 0.00 H new ATOM 498 N GLN A 33 2.280 6.124 2.523 1.00 0.00 N ATOM 499 CA GLN A 33 2.846 4.776 2.501 1.00 0.00 C ATOM 500 C GLN A 33 1.810 3.735 2.919 1.00 0.00 C ATOM 501 O GLN A 33 1.071 3.935 3.885 1.00 0.00 O ATOM 502 CB GLN A 33 4.066 4.683 3.425 1.00 0.00 C ATOM 503 CG GLN A 33 5.028 5.855 3.300 1.00 0.00 C ATOM 504 CD GLN A 33 5.993 5.946 4.468 1.00 0.00 C ATOM 505 OE1 GLN A 33 7.208 5.856 4.289 1.00 0.00 O ATOM 506 NE2 GLN A 33 5.458 6.122 5.673 1.00 0.00 N ATOM 0 H GLN A 33 2.336 6.589 3.429 1.00 0.00 H new ATOM 0 HA GLN A 33 3.156 4.570 1.477 1.00 0.00 H new ATOM 0 HB2 GLN A 33 3.723 4.617 4.457 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.604 3.760 3.208 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.593 5.759 2.373 1.00 0.00 H new ATOM 0 HG3 GLN A 33 4.458 6.782 3.231 1.00 0.00 H new ATOM 0 HE21 GLN A 33 4.446 6.191 5.776 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.060 6.188 6.494 1.00 0.00 H new ATOM 515 N ILE A 34 1.767 2.622 2.186 1.00 0.00 N ATOM 516 CA ILE A 34 0.829 1.540 2.472 1.00 0.00 C ATOM 517 C ILE A 34 1.352 0.206 1.928 1.00 0.00 C ATOM 518 O ILE A 34 1.563 0.055 0.723 1.00 0.00 O ATOM 519 CB ILE A 34 -0.571 1.840 1.880 1.00 0.00 C ATOM 520 CG1 ILE A 34 -1.576 0.758 2.288 1.00 0.00 C ATOM 521 CG2 ILE A 34 -0.503 1.969 0.364 1.00 0.00 C ATOM 522 CD1 ILE A 34 -2.469 1.166 3.440 1.00 0.00 C ATOM 0 H ILE A 34 2.375 2.447 1.386 1.00 0.00 H new ATOM 0 HA ILE A 34 0.736 1.465 3.555 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.912 2.792 2.285 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.197 0.508 1.428 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.033 -0.146 2.563 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.498 2.180 -0.028 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.172 2.783 0.098 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -0.134 1.037 -0.064 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.155 0.352 3.675 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.857 1.388 4.314 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.039 2.052 3.162 1.00 0.00 H new ATOM 534 N TYR A 35 1.565 -0.758 2.824 1.00 0.00 N ATOM 535 CA TYR A 35 2.069 -2.077 2.434 1.00 0.00 C ATOM 536 C TYR A 35 0.938 -2.963 1.922 1.00 0.00 C ATOM 537 O TYR A 35 -0.234 -2.722 2.221 1.00 0.00 O ATOM 538 CB TYR A 35 2.762 -2.756 3.619 1.00 0.00 C ATOM 539 CG TYR A 35 4.041 -2.075 4.052 1.00 0.00 C ATOM 540 CD1 TYR A 35 4.011 -0.953 4.873 1.00 0.00 C ATOM 541 CD2 TYR A 35 5.278 -2.553 3.640 1.00 0.00 C ATOM 542 CE1 TYR A 35 5.177 -0.331 5.272 1.00 0.00 C ATOM 543 CE2 TYR A 35 6.449 -1.936 4.036 1.00 0.00 C ATOM 544 CZ TYR A 35 6.394 -0.824 4.850 1.00 0.00 C ATOM 545 OH TYR A 35 7.558 -0.208 5.246 1.00 0.00 O ATOM 0 H TYR A 35 1.397 -0.651 3.824 1.00 0.00 H new ATOM 0 HA TYR A 35 2.792 -1.936 1.630 1.00 0.00 H new ATOM 0 HB2 TYR A 35 2.073 -2.784 4.463 1.00 0.00 H new ATOM 0 HB3 TYR A 35 2.984 -3.790 3.354 1.00 0.00 H new ATOM 0 HD1 TYR A 35 3.060 -0.562 5.204 1.00 0.00 H new ATOM 0 HD2 TYR A 35 5.325 -3.421 3.000 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.136 0.538 5.912 1.00 0.00 H new ATOM 0 HE2 TYR A 35 7.403 -2.323 3.710 1.00 0.00 H new ATOM 0 HH TYR A 35 8.326 -0.681 4.862 1.00 0.00 H new ATOM 555 N LEU A 36 1.295 -3.993 1.151 1.00 0.00 N ATOM 556 CA LEU A 36 0.306 -4.921 0.598 1.00 0.00 C ATOM 557 C LEU A 36 -0.560 -5.526 1.705 1.00 0.00 C ATOM 558 O LEU A 36 -1.770 -5.672 1.537 1.00 0.00 O ATOM 559 CB LEU A 36 0.992 -6.036 -0.202 1.00 0.00 C ATOM 560 CG LEU A 36 1.708 -5.580 -1.480 1.00 0.00 C ATOM 561 CD1 LEU A 36 2.271 -6.776 -2.233 1.00 0.00 C ATOM 562 CD2 LEU A 36 0.761 -4.783 -2.369 1.00 0.00 C ATOM 0 H LEU A 36 2.260 -4.205 0.896 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.339 -4.355 -0.074 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.717 -6.531 0.444 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.243 -6.781 -0.471 1.00 0.00 H new ATOM 0 HG LEU A 36 2.538 -4.932 -1.196 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.775 -6.433 -3.136 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.983 -7.303 -1.598 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.459 -7.450 -2.505 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.287 -4.468 -3.270 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.090 -5.406 -2.644 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.408 -3.904 -1.829 1.00 0.00 H new ATOM 574 N ASP A 37 0.062 -5.865 2.838 1.00 0.00 N ATOM 575 CA ASP A 37 -0.666 -6.440 3.970 1.00 0.00 C ATOM 576 C ASP A 37 -1.736 -5.469 4.469 1.00 0.00 C ATOM 577 O ASP A 37 -2.880 -5.864 4.706 1.00 0.00 O ATOM 578 CB ASP A 37 0.293 -6.792 5.110 1.00 0.00 C ATOM 579 CG ASP A 37 1.201 -7.958 4.768 1.00 0.00 C ATOM 580 OD1 ASP A 37 0.723 -9.111 4.790 1.00 0.00 O ATOM 581 OD2 ASP A 37 2.392 -7.716 4.478 1.00 0.00 O ATOM 0 H ASP A 37 1.064 -5.751 2.994 1.00 0.00 H new ATOM 0 HA ASP A 37 -1.152 -7.354 3.629 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.902 -5.920 5.350 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -0.283 -7.034 6.003 1.00 0.00 H new ATOM 586 N ASP A 38 -1.361 -4.194 4.613 1.00 0.00 N ATOM 587 CA ASP A 38 -2.297 -3.165 5.065 1.00 0.00 C ATOM 588 C ASP A 38 -3.468 -3.055 4.091 1.00 0.00 C ATOM 589 O ASP A 38 -4.624 -2.969 4.504 1.00 0.00 O ATOM 590 CB ASP A 38 -1.599 -1.804 5.192 1.00 0.00 C ATOM 591 CG ASP A 38 -0.433 -1.821 6.163 1.00 0.00 C ATOM 592 OD1 ASP A 38 -0.625 -2.249 7.321 1.00 0.00 O ATOM 593 OD2 ASP A 38 0.675 -1.401 5.765 1.00 0.00 O ATOM 0 H ASP A 38 -0.419 -3.853 4.423 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.670 -3.455 6.047 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.242 -1.493 4.210 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -2.325 -1.059 5.518 1.00 0.00 H new ATOM 598 N MET A 39 -3.155 -3.074 2.792 1.00 0.00 N ATOM 599 CA MET A 39 -4.179 -2.988 1.753 1.00 0.00 C ATOM 600 C MET A 39 -4.668 -4.384 1.338 1.00 0.00 C ATOM 601 O MET A 39 -4.963 -4.630 0.166 1.00 0.00 O ATOM 602 CB MET A 39 -3.642 -2.211 0.542 1.00 0.00 C ATOM 603 CG MET A 39 -2.521 -2.915 -0.209 1.00 0.00 C ATOM 604 SD MET A 39 -1.314 -1.761 -0.894 1.00 0.00 S ATOM 605 CE MET A 39 -1.702 -1.850 -2.640 1.00 0.00 C ATOM 0 H MET A 39 -2.201 -3.148 2.438 1.00 0.00 H new ATOM 0 HA MET A 39 -5.035 -2.449 2.159 1.00 0.00 H new ATOM 0 HB2 MET A 39 -4.464 -2.024 -0.149 1.00 0.00 H new ATOM 0 HB3 MET A 39 -3.282 -1.239 0.880 1.00 0.00 H new ATOM 0 HG2 MET A 39 -2.015 -3.607 0.465 1.00 0.00 H new ATOM 0 HG3 MET A 39 -2.947 -3.511 -1.016 1.00 0.00 H new ATOM 0 HE1 MET A 39 -1.557 -0.870 -3.095 1.00 0.00 H new ATOM 0 HE2 MET A 39 -1.046 -2.575 -3.122 1.00 0.00 H new ATOM 0 HE3 MET A 39 -2.740 -2.159 -2.767 1.00 0.00 H new ATOM 615 N PHE A 40 -4.762 -5.290 2.317 1.00 0.00 N ATOM 616 CA PHE A 40 -5.224 -6.656 2.077 1.00 0.00 C ATOM 617 C PHE A 40 -6.136 -7.126 3.212 1.00 0.00 C ATOM 618 O PHE A 40 -7.234 -7.627 2.965 1.00 0.00 O ATOM 619 CB PHE A 40 -4.034 -7.609 1.928 1.00 0.00 C ATOM 620 CG PHE A 40 -4.428 -9.030 1.622 1.00 0.00 C ATOM 621 CD1 PHE A 40 -5.393 -9.313 0.665 1.00 0.00 C ATOM 622 CD2 PHE A 40 -3.829 -10.083 2.293 1.00 0.00 C ATOM 623 CE1 PHE A 40 -5.751 -10.619 0.388 1.00 0.00 C ATOM 624 CE2 PHE A 40 -4.183 -11.390 2.019 1.00 0.00 C ATOM 625 CZ PHE A 40 -5.145 -11.659 1.065 1.00 0.00 C ATOM 0 H PHE A 40 -4.522 -5.097 3.289 1.00 0.00 H new ATOM 0 HA PHE A 40 -5.795 -6.662 1.148 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -3.384 -7.243 1.133 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -3.451 -7.594 2.849 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -5.869 -8.504 0.131 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -3.076 -9.880 3.040 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -6.504 -10.826 -0.358 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -3.708 -12.201 2.551 1.00 0.00 H new ATOM 0 HZ PHE A 40 -5.423 -12.680 0.849 1.00 0.00 H new ATOM 635 N GLU A 41 -5.678 -6.954 4.456 1.00 0.00 N ATOM 636 CA GLU A 41 -6.463 -7.356 5.625 1.00 0.00 C ATOM 637 C GLU A 41 -7.802 -6.617 5.664 1.00 0.00 C ATOM 638 O GLU A 41 -8.820 -7.183 6.067 1.00 0.00 O ATOM 639 CB GLU A 41 -5.680 -7.092 6.916 1.00 0.00 C ATOM 640 CG GLU A 41 -4.789 -8.251 7.332 1.00 0.00 C ATOM 641 CD GLU A 41 -5.467 -9.184 8.318 1.00 0.00 C ATOM 642 OE1 GLU A 41 -6.471 -9.824 7.938 1.00 0.00 O ATOM 643 OE2 GLU A 41 -4.995 -9.273 9.470 1.00 0.00 O ATOM 0 H GLU A 41 -4.772 -6.541 4.678 1.00 0.00 H new ATOM 0 HA GLU A 41 -6.660 -8.425 5.545 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.066 -6.201 6.783 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -6.383 -6.878 7.721 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.496 -8.815 6.447 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.875 -7.860 7.778 1.00 0.00 H new ATOM 650 N GLY A 42 -7.794 -5.353 5.235 1.00 0.00 N ATOM 651 CA GLY A 42 -9.011 -4.562 5.220 1.00 0.00 C ATOM 652 C GLY A 42 -8.787 -3.119 5.641 1.00 0.00 C ATOM 653 O GLY A 42 -9.476 -2.617 6.528 1.00 0.00 O ATOM 0 H GLY A 42 -6.964 -4.866 4.898 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -9.437 -4.580 4.217 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.743 -5.019 5.886 1.00 0.00 H new ATOM 657 N GLU A 43 -7.824 -2.452 5.003 1.00 0.00 N ATOM 658 CA GLU A 43 -7.519 -1.060 5.322 1.00 0.00 C ATOM 659 C GLU A 43 -7.492 -0.195 4.062 1.00 0.00 C ATOM 660 O GLU A 43 -6.518 -0.211 3.306 1.00 0.00 O ATOM 661 CB GLU A 43 -6.178 -0.962 6.056 1.00 0.00 C ATOM 662 CG GLU A 43 -6.193 0.013 7.223 1.00 0.00 C ATOM 663 CD GLU A 43 -6.332 -0.683 8.563 1.00 0.00 C ATOM 664 OE1 GLU A 43 -7.427 -1.214 8.847 1.00 0.00 O ATOM 665 OE2 GLU A 43 -5.346 -0.696 9.329 1.00 0.00 O ATOM 0 H GLU A 43 -7.245 -2.853 4.265 1.00 0.00 H new ATOM 0 HA GLU A 43 -8.309 -0.686 5.973 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -5.901 -1.950 6.423 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -5.407 -0.657 5.348 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.273 0.597 7.215 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.017 0.714 7.095 1.00 0.00 H new ATOM 672 N LYS A 44 -8.568 0.561 3.850 1.00 0.00 N ATOM 673 CA LYS A 44 -8.678 1.443 2.688 1.00 0.00 C ATOM 674 C LYS A 44 -8.693 2.913 3.114 1.00 0.00 C ATOM 675 O LYS A 44 -8.156 3.773 2.412 1.00 0.00 O ATOM 676 CB LYS A 44 -9.944 1.124 1.886 1.00 0.00 C ATOM 677 CG LYS A 44 -10.177 -0.363 1.675 1.00 0.00 C ATOM 678 CD LYS A 44 -11.075 -0.623 0.476 1.00 0.00 C ATOM 679 CE LYS A 44 -11.952 -1.845 0.696 1.00 0.00 C ATOM 680 NZ LYS A 44 -12.295 -2.527 -0.583 1.00 0.00 N ATOM 0 H LYS A 44 -9.378 0.581 4.469 1.00 0.00 H new ATOM 0 HA LYS A 44 -7.805 1.272 2.058 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -10.806 1.548 2.401 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -9.881 1.614 0.914 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -9.220 -0.865 1.530 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -10.629 -0.792 2.569 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -11.703 0.249 0.293 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -10.463 -0.768 -0.414 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -11.438 -2.546 1.353 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -12.869 -1.546 1.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -12.894 -3.354 -0.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -12.809 -1.867 -1.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -11.422 -2.836 -1.056 1.00 0.00 H new ATOM 694 N VAL A 45 -9.307 3.194 4.267 1.00 0.00 N ATOM 695 CA VAL A 45 -9.388 4.556 4.786 1.00 0.00 C ATOM 696 C VAL A 45 -8.071 4.956 5.453 1.00 0.00 C ATOM 697 O VAL A 45 -7.947 4.930 6.680 1.00 0.00 O ATOM 698 CB VAL A 45 -10.546 4.713 5.800 1.00 0.00 C ATOM 699 CG1 VAL A 45 -10.709 6.171 6.212 1.00 0.00 C ATOM 700 CG2 VAL A 45 -11.846 4.167 5.222 1.00 0.00 C ATOM 0 H VAL A 45 -9.755 2.493 4.857 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.582 5.213 3.938 1.00 0.00 H new ATOM 0 HB VAL A 45 -10.300 4.134 6.690 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.529 6.258 6.925 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -9.787 6.524 6.674 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -10.928 6.775 5.332 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -12.647 4.287 5.951 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -12.098 4.713 4.313 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -11.724 3.109 4.988 1.00 0.00 H new ATOM 710 N ALA A 46 -7.088 5.320 4.634 1.00 0.00 N ATOM 711 CA ALA A 46 -5.779 5.721 5.137 1.00 0.00 C ATOM 712 C ALA A 46 -5.740 7.213 5.456 1.00 0.00 C ATOM 713 O ALA A 46 -6.459 8.007 4.845 1.00 0.00 O ATOM 714 CB ALA A 46 -4.694 5.366 4.129 1.00 0.00 C ATOM 0 H ALA A 46 -7.174 5.345 3.618 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.594 5.176 6.063 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.722 5.671 4.518 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.695 4.290 3.958 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.887 5.883 3.189 1.00 0.00 H new ATOM 720 N VAL A 47 -4.894 7.585 6.414 1.00 0.00 N ATOM 721 CA VAL A 47 -4.755 8.979 6.816 1.00 0.00 C ATOM 722 C VAL A 47 -3.284 9.376 6.917 1.00 0.00 C ATOM 723 O VAL A 47 -2.487 8.684 7.552 1.00 0.00 O ATOM 724 CB VAL A 47 -5.462 9.253 8.166 1.00 0.00 C ATOM 725 CG1 VAL A 47 -4.846 8.429 9.291 1.00 0.00 C ATOM 726 CG2 VAL A 47 -5.424 10.738 8.500 1.00 0.00 C ATOM 0 H VAL A 47 -4.294 6.938 6.926 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.234 9.583 6.046 1.00 0.00 H new ATOM 0 HB VAL A 47 -6.504 8.950 8.065 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -5.364 8.644 10.225 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.941 7.368 9.059 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.791 8.685 9.394 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.926 10.910 9.452 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -4.388 11.069 8.571 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.931 11.300 7.716 1.00 0.00 H new ATOM 736 N CYS A 48 -2.933 10.493 6.285 1.00 0.00 N ATOM 737 CA CYS A 48 -1.559 10.987 6.304 1.00 0.00 C ATOM 738 C CYS A 48 -1.228 11.580 7.671 1.00 0.00 C ATOM 739 O CYS A 48 -1.819 12.577 8.072 1.00 0.00 O ATOM 740 CB CYS A 48 -1.359 12.043 5.210 1.00 0.00 C ATOM 741 SG CYS A 48 0.276 12.851 5.225 1.00 0.00 S ATOM 0 H CYS A 48 -3.582 11.073 5.753 1.00 0.00 H new ATOM 0 HA CYS A 48 -0.887 10.151 6.112 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -1.509 11.573 4.238 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.129 12.808 5.316 1.00 0.00 H new ATOM 0 HG CYS A 48 0.268 13.861 4.407 1.00 0.00 H new ATOM 746 N PRO A 49 -0.280 10.973 8.410 1.00 0.00 N ATOM 747 CA PRO A 49 0.121 11.456 9.742 1.00 0.00 C ATOM 748 C PRO A 49 0.607 12.910 9.732 1.00 0.00 C ATOM 749 O PRO A 49 0.603 13.573 10.771 1.00 0.00 O ATOM 750 CB PRO A 49 1.265 10.517 10.135 1.00 0.00 C ATOM 751 CG PRO A 49 1.050 9.291 9.318 1.00 0.00 C ATOM 752 CD PRO A 49 0.471 9.767 8.017 1.00 0.00 C ATOM 0 HA PRO A 49 -0.719 11.448 10.436 1.00 0.00 H new ATOM 0 HB2 PRO A 49 2.235 10.967 9.925 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.242 10.291 11.201 1.00 0.00 H new ATOM 0 HG2 PRO A 49 1.987 8.758 9.158 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.372 8.600 9.819 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.249 9.996 7.289 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -0.178 9.017 7.565 1.00 0.00 H new ATOM 760 N SER A 50 1.032 13.401 8.562 1.00 0.00 N ATOM 761 CA SER A 50 1.521 14.773 8.436 1.00 0.00 C ATOM 762 C SER A 50 0.363 15.777 8.433 1.00 0.00 C ATOM 763 O SER A 50 0.223 16.566 9.368 1.00 0.00 O ATOM 764 CB SER A 50 2.364 14.930 7.165 1.00 0.00 C ATOM 765 OG SER A 50 3.597 15.568 7.451 1.00 0.00 O ATOM 0 H SER A 50 1.046 12.868 7.693 1.00 0.00 H new ATOM 0 HA SER A 50 2.149 14.983 9.302 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.550 13.951 6.724 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.812 15.512 6.427 1.00 0.00 H new ATOM 0 HG SER A 50 4.333 15.039 7.079 1.00 0.00 H new ATOM 771 N CYS A 51 -0.462 15.745 7.382 1.00 0.00 N ATOM 772 CA CYS A 51 -1.602 16.665 7.275 1.00 0.00 C ATOM 773 C CYS A 51 -2.811 16.177 8.081 1.00 0.00 C ATOM 774 O CYS A 51 -3.686 16.971 8.436 1.00 0.00 O ATOM 775 CB CYS A 51 -2.001 16.869 5.808 1.00 0.00 C ATOM 776 SG CYS A 51 -2.681 15.385 4.992 1.00 0.00 S ATOM 0 H CYS A 51 -0.365 15.099 6.599 1.00 0.00 H new ATOM 0 HA CYS A 51 -1.282 17.618 7.695 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -2.740 17.668 5.754 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -1.127 17.205 5.251 1.00 0.00 H new ATOM 0 HG CYS A 51 -1.964 15.098 3.946 1.00 0.00 H new ATOM 781 N SER A 52 -2.859 14.872 8.361 1.00 0.00 N ATOM 782 CA SER A 52 -3.959 14.274 9.118 1.00 0.00 C ATOM 783 C SER A 52 -5.258 14.273 8.302 1.00 0.00 C ATOM 784 O SER A 52 -6.346 14.488 8.845 1.00 0.00 O ATOM 785 CB SER A 52 -4.157 15.016 10.444 1.00 0.00 C ATOM 786 OG SER A 52 -4.693 14.159 11.437 1.00 0.00 O ATOM 0 H SER A 52 -2.143 14.206 8.072 1.00 0.00 H new ATOM 0 HA SER A 52 -3.699 13.237 9.332 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.203 15.419 10.784 1.00 0.00 H new ATOM 0 HB3 SER A 52 -4.825 15.864 10.293 1.00 0.00 H new ATOM 0 HG SER A 52 -4.807 14.658 12.273 1.00 0.00 H new ATOM 792 N LEU A 53 -5.137 14.026 6.995 1.00 0.00 N ATOM 793 CA LEU A 53 -6.295 13.992 6.103 1.00 0.00 C ATOM 794 C LEU A 53 -6.632 12.555 5.701 1.00 0.00 C ATOM 795 O LEU A 53 -5.767 11.814 5.232 1.00 0.00 O ATOM 796 CB LEU A 53 -6.019 14.845 4.861 1.00 0.00 C ATOM 797 CG LEU A 53 -7.257 15.457 4.203 1.00 0.00 C ATOM 798 CD1 LEU A 53 -6.862 16.619 3.305 1.00 0.00 C ATOM 799 CD2 LEU A 53 -8.018 14.404 3.412 1.00 0.00 C ATOM 0 H LEU A 53 -4.246 13.846 6.532 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.154 14.403 6.633 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.338 15.650 5.137 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.503 14.229 4.124 1.00 0.00 H new ATOM 0 HG LEU A 53 -7.913 15.835 4.987 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -7.755 17.043 2.845 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -6.362 17.384 3.899 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.186 16.264 2.527 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -8.895 14.858 2.951 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -7.372 13.994 2.636 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -8.333 13.604 4.081 1.00 0.00 H new ATOM 811 N MET A 54 -7.894 12.167 5.900 1.00 0.00 N ATOM 812 CA MET A 54 -8.348 10.814 5.570 1.00 0.00 C ATOM 813 C MET A 54 -8.726 10.696 4.091 1.00 0.00 C ATOM 814 O MET A 54 -9.299 11.621 3.511 1.00 0.00 O ATOM 815 CB MET A 54 -9.547 10.426 6.444 1.00 0.00 C ATOM 816 CG MET A 54 -9.166 9.879 7.813 1.00 0.00 C ATOM 817 SD MET A 54 -10.539 9.937 8.983 1.00 0.00 S ATOM 818 CE MET A 54 -9.670 9.872 10.548 1.00 0.00 C ATOM 0 H MET A 54 -8.619 12.770 6.288 1.00 0.00 H new ATOM 0 HA MET A 54 -7.521 10.131 5.766 1.00 0.00 H new ATOM 0 HB2 MET A 54 -10.184 11.301 6.578 1.00 0.00 H new ATOM 0 HB3 MET A 54 -10.140 9.678 5.918 1.00 0.00 H new ATOM 0 HG2 MET A 54 -8.825 8.849 7.708 1.00 0.00 H new ATOM 0 HG3 MET A 54 -8.329 10.453 8.211 1.00 0.00 H new ATOM 0 HE1 MET A 54 -10.390 9.900 11.366 1.00 0.00 H new ATOM 0 HE2 MET A 54 -9.092 8.950 10.605 1.00 0.00 H new ATOM 0 HE3 MET A 54 -8.998 10.727 10.627 1.00 0.00 H new ATOM 828 N ILE A 55 -8.403 9.545 3.491 1.00 0.00 N ATOM 829 CA ILE A 55 -8.705 9.292 2.080 1.00 0.00 C ATOM 830 C ILE A 55 -9.115 7.837 1.844 1.00 0.00 C ATOM 831 O ILE A 55 -8.866 6.968 2.682 1.00 0.00 O ATOM 832 CB ILE A 55 -7.494 9.610 1.171 1.00 0.00 C ATOM 833 CG1 ILE A 55 -6.272 8.778 1.584 1.00 0.00 C ATOM 834 CG2 ILE A 55 -7.169 11.095 1.208 1.00 0.00 C ATOM 835 CD1 ILE A 55 -6.188 7.434 0.891 1.00 0.00 C ATOM 0 H ILE A 55 -7.932 8.773 3.963 1.00 0.00 H new ATOM 0 HA ILE A 55 -9.535 9.951 1.825 1.00 0.00 H new ATOM 0 HB ILE A 55 -7.758 9.344 0.147 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -5.367 9.346 1.367 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -6.299 8.620 2.662 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -6.314 11.297 0.562 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -8.030 11.665 0.859 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -6.929 11.390 2.230 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.299 6.903 1.233 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.075 6.847 1.128 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.129 7.584 -0.187 1.00 0.00 H new ATOM 847 N ASP A 56 -9.727 7.580 0.683 1.00 0.00 N ATOM 848 CA ASP A 56 -10.157 6.230 0.312 1.00 0.00 C ATOM 849 C ASP A 56 -9.398 5.741 -0.919 1.00 0.00 C ATOM 850 O ASP A 56 -9.654 6.194 -2.038 1.00 0.00 O ATOM 851 CB ASP A 56 -11.663 6.190 0.022 1.00 0.00 C ATOM 852 CG ASP A 56 -12.519 6.267 1.274 1.00 0.00 C ATOM 853 OD1 ASP A 56 -12.062 5.810 2.346 1.00 0.00 O ATOM 854 OD2 ASP A 56 -13.652 6.782 1.183 1.00 0.00 O ATOM 0 H ASP A 56 -9.936 8.292 -0.017 1.00 0.00 H new ATOM 0 HA ASP A 56 -9.940 5.575 1.156 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -11.921 7.019 -0.637 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -11.898 5.271 -0.514 1.00 0.00 H new ATOM 859 N VAL A 57 -8.471 4.810 -0.711 1.00 0.00 N ATOM 860 CA VAL A 57 -7.686 4.258 -1.811 1.00 0.00 C ATOM 861 C VAL A 57 -8.277 2.927 -2.280 1.00 0.00 C ATOM 862 O VAL A 57 -8.300 1.945 -1.535 1.00 0.00 O ATOM 863 CB VAL A 57 -6.202 4.070 -1.419 1.00 0.00 C ATOM 864 CG1 VAL A 57 -6.055 3.090 -0.260 1.00 0.00 C ATOM 865 CG2 VAL A 57 -5.381 3.621 -2.623 1.00 0.00 C ATOM 0 H VAL A 57 -8.246 4.423 0.205 1.00 0.00 H new ATOM 0 HA VAL A 57 -7.728 4.976 -2.630 1.00 0.00 H new ATOM 0 HB VAL A 57 -5.818 5.034 -1.085 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -5.000 2.980 -0.008 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -6.597 3.468 0.607 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.462 2.121 -0.549 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.340 3.494 -2.327 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.770 2.673 -2.996 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.446 4.374 -3.409 1.00 0.00 H new ATOM 875 N VAL A 58 -8.763 2.904 -3.520 1.00 0.00 N ATOM 876 CA VAL A 58 -9.360 1.698 -4.082 1.00 0.00 C ATOM 877 C VAL A 58 -8.284 0.748 -4.611 1.00 0.00 C ATOM 878 O VAL A 58 -7.440 1.137 -5.421 1.00 0.00 O ATOM 879 CB VAL A 58 -10.373 2.034 -5.201 1.00 0.00 C ATOM 880 CG1 VAL A 58 -9.694 2.718 -6.382 1.00 0.00 C ATOM 881 CG2 VAL A 58 -11.105 0.776 -5.651 1.00 0.00 C ATOM 0 H VAL A 58 -8.754 3.705 -4.151 1.00 0.00 H new ATOM 0 HA VAL A 58 -9.899 1.200 -3.276 1.00 0.00 H new ATOM 0 HB VAL A 58 -11.103 2.733 -4.793 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -10.435 2.940 -7.150 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -9.230 3.646 -6.047 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -8.931 2.058 -6.795 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -11.814 1.030 -6.439 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -10.384 0.052 -6.031 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -11.641 0.345 -4.805 1.00 0.00 H new ATOM 891 N PHE A 59 -8.317 -0.498 -4.133 1.00 0.00 N ATOM 892 CA PHE A 59 -7.342 -1.507 -4.544 1.00 0.00 C ATOM 893 C PHE A 59 -8.013 -2.855 -4.819 1.00 0.00 C ATOM 894 O PHE A 59 -9.177 -3.063 -4.470 1.00 0.00 O ATOM 895 CB PHE A 59 -6.262 -1.668 -3.466 1.00 0.00 C ATOM 896 CG PHE A 59 -6.791 -2.095 -2.122 1.00 0.00 C ATOM 897 CD1 PHE A 59 -7.261 -3.384 -1.920 1.00 0.00 C ATOM 898 CD2 PHE A 59 -6.812 -1.205 -1.061 1.00 0.00 C ATOM 899 CE1 PHE A 59 -7.745 -3.775 -0.686 1.00 0.00 C ATOM 900 CE2 PHE A 59 -7.294 -1.591 0.176 1.00 0.00 C ATOM 901 CZ PHE A 59 -7.760 -2.878 0.364 1.00 0.00 C ATOM 0 H PHE A 59 -9.009 -0.831 -3.461 1.00 0.00 H new ATOM 0 HA PHE A 59 -6.879 -1.167 -5.470 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -5.531 -2.402 -3.806 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -5.734 -0.721 -3.352 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -7.249 -4.091 -2.737 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.448 -0.198 -1.202 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -8.111 -4.781 -0.543 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -7.306 -0.887 0.995 1.00 0.00 H new ATOM 0 HZ PHE A 59 -8.135 -3.182 1.330 1.00 0.00 H new ATOM 911 N ASP A 60 -7.261 -3.767 -5.442 1.00 0.00 N ATOM 912 CA ASP A 60 -7.766 -5.102 -5.765 1.00 0.00 C ATOM 913 C ASP A 60 -7.027 -6.178 -4.965 1.00 0.00 C ATOM 914 O ASP A 60 -6.083 -5.879 -4.230 1.00 0.00 O ATOM 915 CB ASP A 60 -7.616 -5.371 -7.269 1.00 0.00 C ATOM 916 CG ASP A 60 -8.743 -6.220 -7.833 1.00 0.00 C ATOM 917 OD1 ASP A 60 -9.907 -6.019 -7.424 1.00 0.00 O ATOM 918 OD2 ASP A 60 -8.460 -7.084 -8.688 1.00 0.00 O ATOM 0 H ASP A 60 -6.297 -3.603 -5.733 1.00 0.00 H new ATOM 0 HA ASP A 60 -8.821 -5.141 -5.495 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -7.582 -4.420 -7.801 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -6.665 -5.872 -7.450 1.00 0.00 H new ATOM 923 N LYS A 61 -7.465 -7.430 -5.112 1.00 0.00 N ATOM 924 CA LYS A 61 -6.848 -8.553 -4.404 1.00 0.00 C ATOM 925 C LYS A 61 -5.890 -9.322 -5.314 1.00 0.00 C ATOM 926 O LYS A 61 -4.806 -9.724 -4.886 1.00 0.00 O ATOM 927 CB LYS A 61 -7.921 -9.496 -3.856 1.00 0.00 C ATOM 928 CG LYS A 61 -7.618 -10.000 -2.452 1.00 0.00 C ATOM 929 CD LYS A 61 -8.873 -10.099 -1.595 1.00 0.00 C ATOM 930 CE LYS A 61 -9.436 -8.726 -1.266 1.00 0.00 C ATOM 931 NZ LYS A 61 -10.265 -8.744 -0.028 1.00 0.00 N ATOM 0 H LYS A 61 -8.245 -7.692 -5.715 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.275 -8.146 -3.571 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -8.881 -8.979 -3.850 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -8.023 -10.349 -4.527 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.144 -10.979 -2.514 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.904 -9.330 -1.973 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -9.627 -10.686 -2.120 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.642 -10.629 -0.671 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.616 -8.018 -1.143 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.040 -8.372 -2.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -10.629 -7.788 0.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -11.062 -9.400 -0.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -9.683 -9.057 0.775 1.00 0.00 H new ATOM 945 N GLU A 62 -6.294 -9.521 -6.570 1.00 0.00 N ATOM 946 CA GLU A 62 -5.466 -10.239 -7.540 1.00 0.00 C ATOM 947 C GLU A 62 -4.117 -9.543 -7.734 1.00 0.00 C ATOM 948 O GLU A 62 -3.095 -10.203 -7.929 1.00 0.00 O ATOM 949 CB GLU A 62 -6.186 -10.349 -8.887 1.00 0.00 C ATOM 950 CG GLU A 62 -5.993 -11.694 -9.573 1.00 0.00 C ATOM 951 CD GLU A 62 -7.139 -12.654 -9.317 1.00 0.00 C ATOM 952 OE1 GLU A 62 -8.288 -12.319 -9.676 1.00 0.00 O ATOM 953 OE2 GLU A 62 -6.887 -13.741 -8.757 1.00 0.00 O ATOM 0 H GLU A 62 -7.188 -9.196 -6.939 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.289 -11.240 -7.146 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.252 -10.178 -8.735 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -5.827 -9.559 -9.547 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.889 -11.538 -10.647 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.063 -12.144 -9.225 1.00 0.00 H new ATOM 960 N ASP A 63 -4.125 -8.208 -7.678 1.00 0.00 N ATOM 961 CA ASP A 63 -2.904 -7.419 -7.849 1.00 0.00 C ATOM 962 C ASP A 63 -1.815 -7.869 -6.875 1.00 0.00 C ATOM 963 O ASP A 63 -0.653 -7.998 -7.255 1.00 0.00 O ATOM 964 CB ASP A 63 -3.192 -5.926 -7.645 1.00 0.00 C ATOM 965 CG ASP A 63 -2.454 -5.037 -8.634 1.00 0.00 C ATOM 966 OD1 ASP A 63 -1.327 -5.394 -9.038 1.00 0.00 O ATOM 967 OD2 ASP A 63 -3.003 -3.977 -8.999 1.00 0.00 O ATOM 0 H ASP A 63 -4.964 -7.652 -7.515 1.00 0.00 H new ATOM 0 HA ASP A 63 -2.549 -7.579 -8.867 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.264 -5.752 -7.739 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -2.911 -5.643 -6.631 1.00 0.00 H new ATOM 972 N LEU A 64 -2.201 -8.106 -5.621 1.00 0.00 N ATOM 973 CA LEU A 64 -1.254 -8.544 -4.597 1.00 0.00 C ATOM 974 C LEU A 64 -0.606 -9.871 -4.986 1.00 0.00 C ATOM 975 O LEU A 64 0.619 -9.992 -4.986 1.00 0.00 O ATOM 976 CB LEU A 64 -1.951 -8.682 -3.241 1.00 0.00 C ATOM 977 CG LEU A 64 -1.933 -7.426 -2.369 1.00 0.00 C ATOM 978 CD1 LEU A 64 -3.058 -6.479 -2.766 1.00 0.00 C ATOM 979 CD2 LEU A 64 -2.040 -7.803 -0.899 1.00 0.00 C ATOM 0 H LEU A 64 -3.161 -8.002 -5.291 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.474 -7.786 -4.517 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.988 -8.972 -3.411 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.479 -9.495 -2.689 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.986 -6.910 -2.525 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.027 -5.592 -2.133 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.936 -6.186 -3.809 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.017 -6.981 -2.641 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.026 -6.899 -0.290 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.972 -8.341 -0.728 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.198 -8.439 -0.624 1.00 0.00 H new ATOM 991 N ALA A 65 -1.436 -10.860 -5.325 1.00 0.00 N ATOM 992 CA ALA A 65 -0.942 -12.178 -5.724 1.00 0.00 C ATOM 993 C ALA A 65 0.072 -12.064 -6.863 1.00 0.00 C ATOM 994 O ALA A 65 1.102 -12.740 -6.858 1.00 0.00 O ATOM 995 CB ALA A 65 -2.101 -13.077 -6.132 1.00 0.00 C ATOM 0 H ALA A 65 -2.452 -10.772 -5.331 1.00 0.00 H new ATOM 0 HA ALA A 65 -0.437 -12.624 -4.867 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -1.718 -14.054 -6.426 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.785 -13.194 -5.291 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.632 -12.628 -6.971 1.00 0.00 H new ATOM 1001 N GLU A 66 -0.226 -11.196 -7.833 1.00 0.00 N ATOM 1002 CA GLU A 66 0.661 -10.983 -8.975 1.00 0.00 C ATOM 1003 C GLU A 66 1.911 -10.207 -8.561 1.00 0.00 C ATOM 1004 O GLU A 66 3.016 -10.522 -9.002 1.00 0.00 O ATOM 1005 CB GLU A 66 -0.071 -10.234 -10.096 1.00 0.00 C ATOM 1006 CG GLU A 66 -0.873 -11.142 -11.018 1.00 0.00 C ATOM 1007 CD GLU A 66 -0.008 -12.175 -11.715 1.00 0.00 C ATOM 1008 OE1 GLU A 66 0.594 -11.840 -12.758 1.00 0.00 O ATOM 1009 OE2 GLU A 66 0.069 -13.318 -11.218 1.00 0.00 O ATOM 0 H GLU A 66 -1.075 -10.630 -7.849 1.00 0.00 H new ATOM 0 HA GLU A 66 0.967 -11.961 -9.345 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -0.742 -9.499 -9.652 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.659 -9.682 -10.689 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.645 -11.650 -10.440 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.382 -10.535 -11.767 1.00 0.00 H new ATOM 1016 N TYR A 67 1.729 -9.192 -7.715 1.00 0.00 N ATOM 1017 CA TYR A 67 2.847 -8.372 -7.247 1.00 0.00 C ATOM 1018 C TYR A 67 3.876 -9.205 -6.484 1.00 0.00 C ATOM 1019 O TYR A 67 5.076 -8.941 -6.566 1.00 0.00 O ATOM 1020 CB TYR A 67 2.346 -7.229 -6.362 1.00 0.00 C ATOM 1021 CG TYR A 67 2.490 -5.869 -7.006 1.00 0.00 C ATOM 1022 CD1 TYR A 67 1.673 -5.493 -8.063 1.00 0.00 C ATOM 1023 CD2 TYR A 67 3.444 -4.964 -6.558 1.00 0.00 C ATOM 1024 CE1 TYR A 67 1.803 -4.255 -8.660 1.00 0.00 C ATOM 1025 CE2 TYR A 67 3.579 -3.722 -7.149 1.00 0.00 C ATOM 1026 CZ TYR A 67 2.755 -3.372 -8.198 1.00 0.00 C ATOM 1027 OH TYR A 67 2.886 -2.138 -8.790 1.00 0.00 O ATOM 0 H TYR A 67 0.820 -8.919 -7.341 1.00 0.00 H new ATOM 0 HA TYR A 67 3.333 -7.955 -8.129 1.00 0.00 H new ATOM 0 HB2 TYR A 67 1.297 -7.399 -6.119 1.00 0.00 H new ATOM 0 HB3 TYR A 67 2.897 -7.238 -5.421 1.00 0.00 H new ATOM 0 HD1 TYR A 67 0.923 -6.181 -8.425 1.00 0.00 H new ATOM 0 HD2 TYR A 67 4.090 -5.235 -5.736 1.00 0.00 H new ATOM 0 HE1 TYR A 67 1.162 -3.980 -9.485 1.00 0.00 H new ATOM 0 HE2 TYR A 67 4.326 -3.029 -6.791 1.00 0.00 H new ATOM 0 HH TYR A 67 3.831 -1.878 -8.798 1.00 0.00 H new ATOM 1037 N TYR A 68 3.404 -10.208 -5.742 1.00 0.00 N ATOM 1038 CA TYR A 68 4.294 -11.072 -4.968 1.00 0.00 C ATOM 1039 C TYR A 68 5.339 -11.725 -5.872 1.00 0.00 C ATOM 1040 O TYR A 68 6.538 -11.644 -5.601 1.00 0.00 O ATOM 1041 CB TYR A 68 3.492 -12.153 -4.232 1.00 0.00 C ATOM 1042 CG TYR A 68 3.023 -11.745 -2.848 1.00 0.00 C ATOM 1043 CD1 TYR A 68 2.386 -10.526 -2.636 1.00 0.00 C ATOM 1044 CD2 TYR A 68 3.213 -12.582 -1.754 1.00 0.00 C ATOM 1045 CE1 TYR A 68 1.956 -10.155 -1.376 1.00 0.00 C ATOM 1046 CE2 TYR A 68 2.783 -12.217 -0.492 1.00 0.00 C ATOM 1047 CZ TYR A 68 2.156 -11.003 -0.308 1.00 0.00 C ATOM 1048 OH TYR A 68 1.729 -10.635 0.948 1.00 0.00 O ATOM 0 H TYR A 68 2.414 -10.441 -5.661 1.00 0.00 H new ATOM 0 HA TYR A 68 4.807 -10.452 -4.233 1.00 0.00 H new ATOM 0 HB2 TYR A 68 2.623 -12.418 -4.834 1.00 0.00 H new ATOM 0 HB3 TYR A 68 4.106 -13.050 -4.146 1.00 0.00 H new ATOM 0 HD1 TYR A 68 2.225 -9.859 -3.470 1.00 0.00 H new ATOM 0 HD2 TYR A 68 3.705 -13.533 -1.893 1.00 0.00 H new ATOM 0 HE1 TYR A 68 1.465 -9.204 -1.229 1.00 0.00 H new ATOM 0 HE2 TYR A 68 2.938 -12.880 0.346 1.00 0.00 H new ATOM 0 HH TYR A 68 1.945 -11.345 1.588 1.00 0.00 H new ATOM 1058 N GLU A 69 4.880 -12.364 -6.948 1.00 0.00 N ATOM 1059 CA GLU A 69 5.784 -13.022 -7.890 1.00 0.00 C ATOM 1060 C GLU A 69 6.490 -11.997 -8.780 1.00 0.00 C ATOM 1061 O GLU A 69 7.653 -12.178 -9.142 1.00 0.00 O ATOM 1062 CB GLU A 69 5.021 -14.030 -8.755 1.00 0.00 C ATOM 1063 CG GLU A 69 5.856 -15.236 -9.161 1.00 0.00 C ATOM 1064 CD GLU A 69 5.093 -16.543 -9.053 1.00 0.00 C ATOM 1065 OE1 GLU A 69 5.074 -17.129 -7.950 1.00 0.00 O ATOM 1066 OE2 GLU A 69 4.519 -16.981 -10.071 1.00 0.00 O ATOM 0 H GLU A 69 3.892 -12.440 -7.188 1.00 0.00 H new ATOM 0 HA GLU A 69 6.539 -13.554 -7.311 1.00 0.00 H new ATOM 0 HB2 GLU A 69 4.142 -14.374 -8.209 1.00 0.00 H new ATOM 0 HB3 GLU A 69 4.662 -13.528 -9.653 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.200 -15.105 -10.187 1.00 0.00 H new ATOM 0 HG3 GLU A 69 6.744 -15.286 -8.531 1.00 0.00 H new ATOM 1073 N GLU A 70 5.779 -10.921 -9.129 1.00 0.00 N ATOM 1074 CA GLU A 70 6.337 -9.868 -9.977 1.00 0.00 C ATOM 1075 C GLU A 70 7.552 -9.218 -9.322 1.00 0.00 C ATOM 1076 O GLU A 70 8.591 -9.045 -9.961 1.00 0.00 O ATOM 1077 CB GLU A 70 5.280 -8.800 -10.275 1.00 0.00 C ATOM 1078 CG GLU A 70 4.411 -9.120 -11.481 1.00 0.00 C ATOM 1079 CD GLU A 70 4.797 -8.321 -12.713 1.00 0.00 C ATOM 1080 OE1 GLU A 70 5.983 -8.371 -13.108 1.00 0.00 O ATOM 1081 OE2 GLU A 70 3.914 -7.648 -13.284 1.00 0.00 O ATOM 0 H GLU A 70 4.816 -10.758 -8.836 1.00 0.00 H new ATOM 0 HA GLU A 70 6.653 -10.331 -10.912 1.00 0.00 H new ATOM 0 HB2 GLU A 70 4.641 -8.679 -9.400 1.00 0.00 H new ATOM 0 HB3 GLU A 70 5.778 -7.845 -10.440 1.00 0.00 H new ATOM 0 HG2 GLU A 70 4.486 -10.184 -11.705 1.00 0.00 H new ATOM 0 HG3 GLU A 70 3.368 -8.919 -11.235 1.00 0.00 H new ATOM 1088 N ALA A 71 7.419 -8.858 -8.044 1.00 0.00 N ATOM 1089 CA ALA A 71 8.513 -8.230 -7.314 1.00 0.00 C ATOM 1090 C ALA A 71 9.499 -9.272 -6.797 1.00 0.00 C ATOM 1091 O ALA A 71 9.120 -10.405 -6.494 1.00 0.00 O ATOM 1092 CB ALA A 71 7.974 -7.386 -6.167 1.00 0.00 C ATOM 0 H ALA A 71 6.567 -8.991 -7.498 1.00 0.00 H new ATOM 0 HA ALA A 71 9.047 -7.577 -8.004 1.00 0.00 H new ATOM 0 HB1 ALA A 71 8.805 -6.925 -5.633 1.00 0.00 H new ATOM 0 HB2 ALA A 71 7.321 -6.608 -6.563 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.410 -8.020 -5.483 1.00 0.00 H new