USER MOD reduce.3.24.130724 H: found=0, std=0, add=269, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 266 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 Single : A 1 ASP N :NH3+ 143:sc= 0.158 (180deg=0) USER MOD Single : A 5 ASN :FLIP amide:sc= -2.1! C(o=-2.7!,f=-2.1!) USER MOD Single : A 9 GLN :FLIP amide:sc= -0.208 F(o=-1.5,f=-0.21) USER MOD Single : A 11 SER OG : rot 130:sc= 0.0674 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.00178 USER MOD Single : A 16 ASN : amide:sc= -0.348 K(o=-0.35,f=-3!) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 80:sc= 1.15 USER MOD Single : A 31 MET CE :methyl -155:sc= 0 (180deg=-0.331) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 ASN : amide:sc= -1 K(o=-1,f=-2.7!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -8.577 -9.427 -5.257 1.00 0.00 N ATOM 2 CA ASP A 1 -7.425 -8.952 -4.474 1.00 0.00 C ATOM 3 C ASP A 1 -7.975 -8.191 -3.273 1.00 0.00 C ATOM 4 O ASP A 1 -9.141 -7.797 -3.254 1.00 0.00 O ATOM 5 CB ASP A 1 -6.495 -8.006 -5.253 1.00 0.00 C ATOM 6 CG ASP A 1 -5.135 -8.602 -5.504 1.00 0.00 C ATOM 7 OD1 ASP A 1 -5.057 -9.546 -6.321 1.00 0.00 O ATOM 8 OD2 ASP A 1 -4.150 -8.097 -4.943 1.00 0.00 O ATOM 0 H1 ASP A 1 -8.355 -9.370 -6.271 1.00 0.00 H new ATOM 0 H2 ASP A 1 -8.786 -10.414 -5.003 1.00 0.00 H new ATOM 0 H3 ASP A 1 -9.406 -8.834 -5.050 1.00 0.00 H new ATOM 0 HA ASP A 1 -6.831 -9.824 -4.198 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -6.958 -7.753 -6.207 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -6.382 -7.075 -4.697 1.00 0.00 H new ATOM 12 N GLU A 2 -7.091 -7.932 -2.319 1.00 0.00 N ATOM 13 CA GLU A 2 -7.299 -7.083 -1.150 1.00 0.00 C ATOM 14 C GLU A 2 -6.078 -6.172 -1.013 1.00 0.00 C ATOM 15 O GLU A 2 -6.214 -4.991 -0.709 1.00 0.00 O ATOM 16 CB GLU A 2 -7.523 -7.941 0.107 1.00 0.00 C ATOM 17 CG GLU A 2 -8.779 -8.829 0.027 1.00 0.00 C ATOM 18 CD GLU A 2 -8.752 -9.926 1.069 1.00 0.00 C ATOM 19 OE1 GLU A 2 -8.019 -10.910 0.825 1.00 0.00 O ATOM 20 OE2 GLU A 2 -9.418 -9.818 2.117 1.00 0.00 O ATOM 0 H GLU A 2 -6.153 -8.332 -2.340 1.00 0.00 H new ATOM 0 HA GLU A 2 -8.193 -6.471 -1.269 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -6.650 -8.574 0.266 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -7.605 -7.286 0.975 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -9.669 -8.215 0.167 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.850 -9.272 -0.967 1.00 0.00 H new ATOM 27 N CYS A 3 -4.896 -6.679 -1.369 1.00 0.00 N ATOM 28 CA CYS A 3 -3.692 -5.862 -1.481 1.00 0.00 C ATOM 29 C CYS A 3 -3.957 -4.669 -2.404 1.00 0.00 C ATOM 30 O CYS A 3 -3.680 -3.524 -2.052 1.00 0.00 O ATOM 31 CB CYS A 3 -2.586 -6.707 -2.110 1.00 0.00 C ATOM 32 SG CYS A 3 -1.170 -5.703 -2.614 1.00 0.00 S ATOM 0 H CYS A 3 -4.749 -7.665 -1.587 1.00 0.00 H new ATOM 0 HA CYS A 3 -3.403 -5.509 -0.491 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -2.258 -7.464 -1.397 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -2.982 -7.236 -2.977 1.00 0.00 H new ATOM 37 N ALA A 4 -4.572 -4.929 -3.557 1.00 0.00 N ATOM 38 CA ALA A 4 -4.999 -3.877 -4.468 1.00 0.00 C ATOM 39 C ALA A 4 -5.838 -2.823 -3.739 1.00 0.00 C ATOM 40 O ALA A 4 -5.603 -1.624 -3.899 1.00 0.00 O ATOM 41 CB ALA A 4 -5.792 -4.482 -5.626 1.00 0.00 C ATOM 0 H ALA A 4 -4.786 -5.872 -3.882 1.00 0.00 H new ATOM 0 HA ALA A 4 -4.111 -3.383 -4.863 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -6.108 -3.689 -6.304 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -5.164 -5.191 -6.165 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -6.670 -4.998 -5.236 1.00 0.00 H new ATOM 47 N ASN A 5 -6.802 -3.266 -2.926 1.00 0.00 N ATOM 48 CA ASN A 5 -7.686 -2.357 -2.207 1.00 0.00 C ATOM 49 C ASN A 5 -6.908 -1.560 -1.167 1.00 0.00 C ATOM 50 O ASN A 5 -7.206 -0.395 -0.917 1.00 0.00 O ATOM 51 CB ASN A 5 -8.952 -3.053 -1.666 1.00 0.00 C ATOM 52 CG ASN A 5 -8.916 -3.722 -0.290 1.00 0.00 C ATOM 53 OD1 ASN A 5 -8.480 -3.067 0.774 1.00 0.00 O flip ATOM 54 ND2 ASN A 5 -9.376 -4.848 -0.155 1.00 0.00 N flip ATOM 0 H ASN A 5 -6.987 -4.254 -2.752 1.00 0.00 H new ATOM 0 HA ASN A 5 -8.077 -1.630 -2.919 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -9.750 -2.311 -1.647 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -9.241 -3.814 -2.391 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -9.715 -5.361 -0.969 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -9.421 -5.273 0.771 1.00 0.00 H new ATOM 61 N ALA A 6 -5.901 -2.166 -0.543 1.00 0.00 N ATOM 62 CA ALA A 6 -5.047 -1.459 0.394 1.00 0.00 C ATOM 63 C ALA A 6 -4.309 -0.330 -0.320 1.00 0.00 C ATOM 64 O ALA A 6 -4.303 0.808 0.152 1.00 0.00 O ATOM 65 CB ALA A 6 -4.059 -2.423 1.043 1.00 0.00 C ATOM 0 H ALA A 6 -5.660 -3.148 -0.673 1.00 0.00 H new ATOM 0 HA ALA A 6 -5.667 -1.026 1.179 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -3.426 -1.878 1.743 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -4.606 -3.200 1.577 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -3.438 -2.881 0.273 1.00 0.00 H new ATOM 71 N ALA A 7 -3.701 -0.638 -1.467 1.00 0.00 N ATOM 72 CA ALA A 7 -2.995 0.368 -2.240 1.00 0.00 C ATOM 73 C ALA A 7 -3.966 1.462 -2.677 1.00 0.00 C ATOM 74 O ALA A 7 -3.655 2.646 -2.573 1.00 0.00 O ATOM 75 CB ALA A 7 -2.331 -0.270 -3.466 1.00 0.00 C ATOM 0 H ALA A 7 -3.687 -1.573 -1.874 1.00 0.00 H new ATOM 0 HA ALA A 7 -2.218 0.810 -1.616 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -1.806 0.497 -4.036 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -1.621 -1.031 -3.141 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.093 -0.730 -4.094 1.00 0.00 H new ATOM 81 N ALA A 8 -5.154 1.074 -3.148 1.00 0.00 N ATOM 82 CA ALA A 8 -6.205 2.016 -3.503 1.00 0.00 C ATOM 83 C ALA A 8 -6.499 2.947 -2.326 1.00 0.00 C ATOM 84 O ALA A 8 -6.606 4.158 -2.505 1.00 0.00 O ATOM 85 CB ALA A 8 -7.466 1.267 -3.938 1.00 0.00 C ATOM 0 H ALA A 8 -5.409 0.097 -3.292 1.00 0.00 H new ATOM 0 HA ALA A 8 -5.866 2.624 -4.342 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -8.243 1.985 -4.200 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -7.239 0.645 -4.804 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -7.815 0.637 -3.120 1.00 0.00 H new ATOM 91 N GLN A 9 -6.594 2.399 -1.113 1.00 0.00 N ATOM 92 CA GLN A 9 -6.847 3.190 0.082 1.00 0.00 C ATOM 93 C GLN A 9 -5.612 3.992 0.517 1.00 0.00 C ATOM 94 O GLN A 9 -5.727 4.855 1.382 1.00 0.00 O ATOM 95 CB GLN A 9 -7.379 2.271 1.188 1.00 0.00 C ATOM 96 CG GLN A 9 -7.805 3.065 2.433 1.00 0.00 C ATOM 97 CD GLN A 9 -8.861 2.327 3.238 1.00 0.00 C ATOM 98 OE1 GLN A 9 -8.656 1.047 3.504 1.00 0.00 O flip ATOM 99 NE2 GLN A 9 -9.902 2.892 3.573 1.00 0.00 N flip ATOM 0 H GLN A 9 -6.498 1.399 -0.937 1.00 0.00 H new ATOM 0 HA GLN A 9 -7.608 3.938 -0.139 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -8.229 1.703 0.811 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -6.610 1.549 1.463 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -6.934 3.252 3.061 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -8.193 4.037 2.129 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -10.038 3.880 3.357 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -10.628 2.373 4.066 1.00 0.00 H new ATOM 108 N CYS A 10 -4.449 3.767 -0.090 1.00 0.00 N ATOM 109 CA CYS A 10 -3.239 4.560 0.100 1.00 0.00 C ATOM 110 C CYS A 10 -2.645 4.412 1.496 1.00 0.00 C ATOM 111 O CYS A 10 -1.992 5.337 1.984 1.00 0.00 O ATOM 112 CB CYS A 10 -3.422 6.038 -0.296 1.00 0.00 C ATOM 113 SG CYS A 10 -3.334 6.372 -2.059 1.00 0.00 S ATOM 0 H CYS A 10 -4.320 3.001 -0.751 1.00 0.00 H new ATOM 0 HA CYS A 10 -2.508 4.143 -0.592 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -4.388 6.380 0.075 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -2.659 6.630 0.209 1.00 0.00 H new ATOM 118 N SER A 11 -2.817 3.250 2.131 1.00 0.00 N ATOM 119 CA SER A 11 -2.359 3.019 3.501 1.00 0.00 C ATOM 120 C SER A 11 -1.253 1.985 3.497 1.00 0.00 C ATOM 121 O SER A 11 -1.329 0.964 2.820 1.00 0.00 O ATOM 122 CB SER A 11 -3.519 2.561 4.390 1.00 0.00 C ATOM 123 OG SER A 11 -3.051 1.893 5.554 1.00 0.00 O ATOM 0 H SER A 11 -3.278 2.444 1.709 1.00 0.00 H new ATOM 0 HA SER A 11 -1.973 3.954 3.908 1.00 0.00 H new ATOM 0 HB2 SER A 11 -4.119 3.424 4.681 1.00 0.00 H new ATOM 0 HB3 SER A 11 -4.171 1.895 3.825 1.00 0.00 H new ATOM 0 HG SER A 11 -3.481 2.277 6.347 1.00 0.00 H new ATOM 129 N ILE A 12 -0.239 2.265 4.301 1.00 0.00 N ATOM 130 CA ILE A 12 0.969 1.483 4.419 1.00 0.00 C ATOM 131 C ILE A 12 0.717 0.323 5.373 1.00 0.00 C ATOM 132 O ILE A 12 1.211 -0.785 5.174 1.00 0.00 O ATOM 133 CB ILE A 12 2.077 2.430 4.881 1.00 0.00 C ATOM 134 CG1 ILE A 12 2.241 3.562 3.852 1.00 0.00 C ATOM 135 CG2 ILE A 12 3.396 1.690 5.109 1.00 0.00 C ATOM 136 CD1 ILE A 12 2.414 3.099 2.399 1.00 0.00 C ATOM 0 H ILE A 12 -0.242 3.081 4.913 1.00 0.00 H new ATOM 0 HA ILE A 12 1.279 1.037 3.474 1.00 0.00 H new ATOM 0 HB ILE A 12 1.792 2.859 5.841 1.00 0.00 H new ATOM 0 HG12 ILE A 12 1.369 4.213 3.908 1.00 0.00 H new ATOM 0 HG13 ILE A 12 3.106 4.164 4.131 1.00 0.00 H new ATOM 0 HG21 ILE A 12 4.158 2.397 5.436 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.257 0.926 5.874 1.00 0.00 H new ATOM 0 HG23 ILE A 12 3.714 1.218 4.179 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.522 3.968 1.750 1.00 0.00 H new ATOM 0 HD12 ILE A 12 3.304 2.475 2.320 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.539 2.525 2.094 1.00 0.00 H new ATOM 148 N THR A 13 -0.143 0.533 6.363 1.00 0.00 N ATOM 149 CA THR A 13 -0.450 -0.518 7.302 1.00 0.00 C ATOM 150 C THR A 13 -1.335 -1.523 6.567 1.00 0.00 C ATOM 151 O THR A 13 -1.064 -2.723 6.613 1.00 0.00 O ATOM 152 CB THR A 13 -1.120 0.091 8.540 1.00 0.00 C ATOM 153 OG1 THR A 13 -0.483 1.314 8.863 1.00 0.00 O ATOM 154 CG2 THR A 13 -1.002 -0.846 9.741 1.00 0.00 C ATOM 0 H THR A 13 -0.631 1.414 6.528 1.00 0.00 H new ATOM 0 HA THR A 13 0.439 -1.036 7.662 1.00 0.00 H new ATOM 0 HB THR A 13 -2.174 0.252 8.314 1.00 0.00 H new ATOM 0 HG1 THR A 13 -0.910 1.707 9.653 1.00 0.00 H new ATOM 0 HG21 THR A 13 -1.485 -0.391 10.606 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.487 -1.795 9.511 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.051 -1.022 9.964 1.00 0.00 H new ATOM 162 N LEU A 14 -2.334 -1.049 5.813 1.00 0.00 N ATOM 163 CA LEU A 14 -3.123 -1.951 4.990 1.00 0.00 C ATOM 164 C LEU A 14 -2.269 -2.602 3.902 1.00 0.00 C ATOM 165 O LEU A 14 -2.442 -3.788 3.639 1.00 0.00 O ATOM 166 CB LEU A 14 -4.371 -1.263 4.438 1.00 0.00 C ATOM 167 CG LEU A 14 -5.434 -1.046 5.523 1.00 0.00 C ATOM 168 CD1 LEU A 14 -6.039 0.358 5.451 1.00 0.00 C ATOM 169 CD2 LEU A 14 -6.535 -2.082 5.307 1.00 0.00 C ATOM 0 H LEU A 14 -2.605 -0.067 5.760 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.481 -2.761 5.626 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.094 -0.302 4.005 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.792 -1.866 3.633 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.970 -1.153 6.504 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -6.787 0.472 6.235 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.253 1.100 5.588 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.508 0.502 4.478 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -7.308 -1.954 6.064 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.971 -1.949 4.317 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.112 -3.084 5.385 1.00 0.00 H new ATOM 181 N CYS A 15 -1.350 -1.859 3.273 1.00 0.00 N ATOM 182 CA CYS A 15 -0.418 -2.441 2.298 1.00 0.00 C ATOM 183 C CYS A 15 0.212 -3.665 2.950 1.00 0.00 C ATOM 184 O CYS A 15 0.034 -4.798 2.505 1.00 0.00 O ATOM 185 CB CYS A 15 0.724 -1.491 1.879 1.00 0.00 C ATOM 186 SG CYS A 15 0.441 -0.240 0.600 1.00 0.00 S ATOM 0 H CYS A 15 -1.232 -0.857 3.421 1.00 0.00 H new ATOM 0 HA CYS A 15 -0.988 -2.670 1.397 1.00 0.00 H new ATOM 0 HB2 CYS A 15 1.055 -0.968 2.776 1.00 0.00 H new ATOM 0 HB3 CYS A 15 1.556 -2.112 1.546 1.00 0.00 H new ATOM 191 N ASN A 16 0.936 -3.436 4.042 1.00 0.00 N ATOM 192 CA ASN A 16 1.669 -4.486 4.722 1.00 0.00 C ATOM 193 C ASN A 16 0.795 -5.567 5.336 1.00 0.00 C ATOM 194 O ASN A 16 1.297 -6.665 5.571 1.00 0.00 O ATOM 195 CB ASN A 16 2.724 -3.944 5.696 1.00 0.00 C ATOM 196 CG ASN A 16 3.613 -2.833 5.140 1.00 0.00 C ATOM 197 OD1 ASN A 16 3.468 -2.369 4.010 1.00 0.00 O ATOM 198 ND2 ASN A 16 4.609 -2.444 5.914 1.00 0.00 N ATOM 0 H ASN A 16 1.028 -2.517 4.475 1.00 0.00 H new ATOM 0 HA ASN A 16 2.216 -4.995 3.929 1.00 0.00 H new ATOM 0 HB2 ASN A 16 2.216 -3.570 6.585 1.00 0.00 H new ATOM 0 HB3 ASN A 16 3.359 -4.770 6.015 1.00 0.00 H new ATOM 0 HD21 ASN A 16 5.274 -1.748 5.578 1.00 0.00 H new ATOM 0 HD22 ASN A 16 4.713 -2.840 6.848 1.00 0.00 H new ATOM 205 N LEU A 17 -0.489 -5.291 5.575 1.00 0.00 N ATOM 206 CA LEU A 17 -1.433 -6.286 6.060 1.00 0.00 C ATOM 207 C LEU A 17 -1.394 -7.534 5.168 1.00 0.00 C ATOM 208 O LEU A 17 -1.216 -8.631 5.697 1.00 0.00 O ATOM 209 CB LEU A 17 -2.826 -5.652 6.219 1.00 0.00 C ATOM 210 CG LEU A 17 -3.858 -6.402 7.079 1.00 0.00 C ATOM 211 CD1 LEU A 17 -4.495 -7.556 6.320 1.00 0.00 C ATOM 212 CD2 LEU A 17 -3.329 -6.926 8.414 1.00 0.00 C ATOM 0 H LEU A 17 -0.899 -4.367 5.436 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.150 -6.632 7.054 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.695 -4.657 6.644 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.251 -5.521 5.224 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.601 -5.639 7.309 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.217 -8.059 6.963 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.002 -7.173 5.434 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.723 -8.264 6.019 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.130 -7.439 8.947 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.510 -7.622 8.233 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.970 -6.091 9.016 1.00 0.00 H new ATOM 224 N TYR A 18 -1.516 -7.374 3.841 1.00 0.00 N ATOM 225 CA TYR A 18 -1.657 -8.503 2.915 1.00 0.00 C ATOM 226 C TYR A 18 -0.718 -8.502 1.711 1.00 0.00 C ATOM 227 O TYR A 18 -0.637 -9.517 1.016 1.00 0.00 O ATOM 228 CB TYR A 18 -3.098 -8.567 2.384 1.00 0.00 C ATOM 229 CG TYR A 18 -4.138 -9.129 3.328 1.00 0.00 C ATOM 230 CD1 TYR A 18 -3.865 -10.287 4.083 1.00 0.00 C ATOM 231 CD2 TYR A 18 -5.454 -8.633 3.279 1.00 0.00 C ATOM 232 CE1 TYR A 18 -4.852 -10.825 4.919 1.00 0.00 C ATOM 233 CE2 TYR A 18 -6.455 -9.222 4.066 1.00 0.00 C ATOM 234 CZ TYR A 18 -6.132 -10.257 4.958 1.00 0.00 C ATOM 235 OH TYR A 18 -7.040 -10.716 5.864 1.00 0.00 O ATOM 0 H TYR A 18 -1.519 -6.462 3.384 1.00 0.00 H new ATOM 0 HA TYR A 18 -1.387 -9.372 3.515 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -3.403 -7.560 2.100 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -3.101 -9.169 1.475 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -2.896 -10.759 4.017 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -5.693 -7.799 2.636 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -4.625 -11.682 5.536 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -7.476 -8.879 3.986 1.00 0.00 H new ATOM 0 HH TYR A 18 -7.880 -10.220 5.766 1.00 0.00 H new ATOM 245 N CYS A 19 -0.069 -7.393 1.371 1.00 0.00 N ATOM 246 CA CYS A 19 0.566 -7.306 0.060 1.00 0.00 C ATOM 247 C CYS A 19 1.805 -8.200 -0.045 1.00 0.00 C ATOM 248 O CYS A 19 2.189 -8.585 -1.146 1.00 0.00 O ATOM 249 CB CYS A 19 0.872 -5.853 -0.297 1.00 0.00 C ATOM 250 SG CYS A 19 -0.510 -4.827 -0.836 1.00 0.00 S ATOM 0 H CYS A 19 0.030 -6.567 1.962 1.00 0.00 H new ATOM 0 HA CYS A 19 -0.143 -7.686 -0.676 1.00 0.00 H new ATOM 0 HB2 CYS A 19 1.324 -5.379 0.574 1.00 0.00 H new ATOM 0 HB3 CYS A 19 1.623 -5.850 -1.087 1.00 0.00 H new ATOM 255 N GLY A 20 2.433 -8.556 1.079 1.00 0.00 N ATOM 256 CA GLY A 20 3.632 -9.390 1.105 1.00 0.00 C ATOM 257 C GLY A 20 4.712 -8.868 0.145 1.00 0.00 C ATOM 258 O GLY A 20 5.218 -7.767 0.358 1.00 0.00 O ATOM 0 H GLY A 20 2.118 -8.269 2.005 1.00 0.00 H new ATOM 0 HA2 GLY A 20 4.031 -9.421 2.119 1.00 0.00 H new ATOM 0 HA3 GLY A 20 3.369 -10.413 0.835 1.00 0.00 H new ATOM 262 N PRO A 21 5.079 -9.591 -0.922 1.00 0.00 N ATOM 263 CA PRO A 21 6.067 -9.105 -1.880 1.00 0.00 C ATOM 264 C PRO A 21 5.551 -7.842 -2.567 1.00 0.00 C ATOM 265 O PRO A 21 6.283 -6.871 -2.754 1.00 0.00 O ATOM 266 CB PRO A 21 6.265 -10.256 -2.868 1.00 0.00 C ATOM 267 CG PRO A 21 4.944 -11.021 -2.811 1.00 0.00 C ATOM 268 CD PRO A 21 4.487 -10.843 -1.364 1.00 0.00 C ATOM 0 HA PRO A 21 7.012 -8.829 -1.411 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.471 -9.889 -3.873 1.00 0.00 H new ATOM 0 HB3 PRO A 21 7.105 -10.888 -2.582 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.216 -10.616 -3.514 1.00 0.00 H new ATOM 0 HG3 PRO A 21 5.079 -12.073 -3.062 1.00 0.00 H new ATOM 0 HD2 PRO A 21 3.400 -10.808 -1.297 1.00 0.00 H new ATOM 0 HD3 PRO A 21 4.818 -11.675 -0.742 1.00 0.00 H new ATOM 276 N LEU A 22 4.254 -7.817 -2.877 1.00 0.00 N ATOM 277 CA LEU A 22 3.624 -6.685 -3.525 1.00 0.00 C ATOM 278 C LEU A 22 3.672 -5.441 -2.633 1.00 0.00 C ATOM 279 O LEU A 22 3.299 -4.367 -3.102 1.00 0.00 O ATOM 280 CB LEU A 22 2.171 -7.011 -3.911 1.00 0.00 C ATOM 281 CG LEU A 22 1.952 -8.376 -4.580 1.00 0.00 C ATOM 282 CD1 LEU A 22 0.458 -8.563 -4.857 1.00 0.00 C ATOM 283 CD2 LEU A 22 2.732 -8.486 -5.890 1.00 0.00 C ATOM 0 H LEU A 22 3.616 -8.588 -2.682 1.00 0.00 H new ATOM 0 HA LEU A 22 4.183 -6.473 -4.436 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.556 -6.964 -3.012 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.810 -6.234 -4.585 1.00 0.00 H new ATOM 0 HG LEU A 22 2.313 -9.153 -3.906 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.294 -9.530 -5.332 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.094 -8.522 -3.918 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.109 -7.770 -5.518 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.555 -9.464 -6.338 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.401 -7.707 -6.577 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.797 -8.365 -5.691 1.00 0.00 H new ATOM 295 N ILE A 23 4.086 -5.551 -1.359 1.00 0.00 N ATOM 296 CA ILE A 23 4.250 -4.390 -0.497 1.00 0.00 C ATOM 297 C ILE A 23 5.104 -3.358 -1.200 1.00 0.00 C ATOM 298 O ILE A 23 4.801 -2.179 -1.098 1.00 0.00 O ATOM 299 CB ILE A 23 4.872 -4.736 0.866 1.00 0.00 C ATOM 300 CG1 ILE A 23 3.825 -5.466 1.709 1.00 0.00 C ATOM 301 CG2 ILE A 23 5.273 -3.446 1.594 1.00 0.00 C ATOM 302 CD1 ILE A 23 4.395 -6.075 2.990 1.00 0.00 C ATOM 0 H ILE A 23 4.311 -6.439 -0.911 1.00 0.00 H new ATOM 0 HA ILE A 23 3.254 -3.994 -0.299 1.00 0.00 H new ATOM 0 HB ILE A 23 5.752 -5.362 0.718 1.00 0.00 H new ATOM 0 HG12 ILE A 23 3.029 -4.769 1.970 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.373 -6.256 1.110 1.00 0.00 H new ATOM 0 HG21 ILE A 23 5.713 -3.695 2.559 1.00 0.00 H new ATOM 0 HG22 ILE A 23 6.001 -2.900 0.993 1.00 0.00 H new ATOM 0 HG23 ILE A 23 4.390 -2.825 1.747 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.599 -6.577 3.540 1.00 0.00 H new ATOM 0 HD12 ILE A 23 5.171 -6.797 2.736 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.822 -5.286 3.609 1.00 0.00 H new ATOM 314 N GLU A 24 6.156 -3.778 -1.894 1.00 0.00 N ATOM 315 CA GLU A 24 7.019 -2.836 -2.570 1.00 0.00 C ATOM 316 C GLU A 24 6.202 -2.020 -3.560 1.00 0.00 C ATOM 317 O GLU A 24 6.070 -0.811 -3.412 1.00 0.00 O ATOM 318 CB GLU A 24 8.155 -3.630 -3.235 1.00 0.00 C ATOM 319 CG GLU A 24 8.984 -2.767 -4.187 1.00 0.00 C ATOM 320 CD GLU A 24 10.073 -3.560 -4.874 1.00 0.00 C ATOM 321 OE1 GLU A 24 9.759 -4.622 -5.458 1.00 0.00 O ATOM 322 OE2 GLU A 24 11.236 -3.115 -4.809 1.00 0.00 O ATOM 0 H GLU A 24 6.424 -4.756 -1.999 1.00 0.00 H new ATOM 0 HA GLU A 24 7.465 -2.124 -1.876 1.00 0.00 H new ATOM 0 HB2 GLU A 24 8.805 -4.045 -2.465 1.00 0.00 H new ATOM 0 HB3 GLU A 24 7.734 -4.472 -3.784 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.329 -2.326 -4.938 1.00 0.00 H new ATOM 0 HG3 GLU A 24 9.432 -1.943 -3.631 1.00 0.00 H new ATOM 329 N ILE A 25 5.584 -2.689 -4.527 1.00 0.00 N ATOM 330 CA ILE A 25 4.738 -2.025 -5.505 1.00 0.00 C ATOM 331 C ILE A 25 3.674 -1.196 -4.792 1.00 0.00 C ATOM 332 O ILE A 25 3.270 -0.146 -5.282 1.00 0.00 O ATOM 333 CB ILE A 25 4.072 -3.084 -6.396 1.00 0.00 C ATOM 334 CG1 ILE A 25 5.098 -3.996 -7.090 1.00 0.00 C ATOM 335 CG2 ILE A 25 3.123 -2.426 -7.407 1.00 0.00 C ATOM 336 CD1 ILE A 25 6.263 -3.238 -7.732 1.00 0.00 C ATOM 0 H ILE A 25 5.656 -3.699 -4.653 1.00 0.00 H new ATOM 0 HA ILE A 25 5.343 -1.361 -6.122 1.00 0.00 H new ATOM 0 HB ILE A 25 3.480 -3.729 -5.746 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.494 -4.703 -6.361 1.00 0.00 H new ATOM 0 HG13 ILE A 25 4.590 -4.581 -7.857 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.663 -3.195 -8.027 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.347 -1.877 -6.874 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.685 -1.738 -8.039 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.944 -3.948 -8.201 1.00 0.00 H new ATOM 0 HD12 ILE A 25 5.879 -2.551 -8.486 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.797 -2.675 -6.966 1.00 0.00 H new ATOM 348 N CYS A 26 3.196 -1.667 -3.646 1.00 0.00 N ATOM 349 CA CYS A 26 2.154 -0.992 -2.901 1.00 0.00 C ATOM 350 C CYS A 26 2.703 0.331 -2.405 1.00 0.00 C ATOM 351 O CYS A 26 2.112 1.374 -2.665 1.00 0.00 O ATOM 352 CB CYS A 26 1.662 -1.845 -1.730 1.00 0.00 C ATOM 353 SG CYS A 26 0.043 -1.367 -1.097 1.00 0.00 S ATOM 0 H CYS A 26 3.524 -2.529 -3.211 1.00 0.00 H new ATOM 0 HA CYS A 26 1.297 -0.822 -3.553 1.00 0.00 H new ATOM 0 HB2 CYS A 26 1.623 -2.888 -2.046 1.00 0.00 H new ATOM 0 HB3 CYS A 26 2.389 -1.784 -0.920 1.00 0.00 H new ATOM 358 N GLU A 27 3.871 0.292 -1.758 1.00 0.00 N ATOM 359 CA GLU A 27 4.522 1.484 -1.257 1.00 0.00 C ATOM 360 C GLU A 27 4.715 2.436 -2.433 1.00 0.00 C ATOM 361 O GLU A 27 4.372 3.610 -2.364 1.00 0.00 O ATOM 362 CB GLU A 27 5.861 1.098 -0.609 1.00 0.00 C ATOM 363 CG GLU A 27 6.337 2.171 0.376 1.00 0.00 C ATOM 364 CD GLU A 27 7.652 1.795 1.026 1.00 0.00 C ATOM 365 OE1 GLU A 27 8.463 1.087 0.394 1.00 0.00 O ATOM 366 OE2 GLU A 27 7.836 2.173 2.202 1.00 0.00 O ATOM 0 H GLU A 27 4.383 -0.570 -1.572 1.00 0.00 H new ATOM 0 HA GLU A 27 3.921 1.978 -0.494 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.754 0.146 -0.088 1.00 0.00 H new ATOM 0 HB3 GLU A 27 6.614 0.954 -1.384 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.449 3.121 -0.147 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.580 2.319 1.146 1.00 0.00 H new ATOM 373 N LEU A 28 5.218 1.890 -3.536 1.00 0.00 N ATOM 374 CA LEU A 28 5.622 2.646 -4.703 1.00 0.00 C ATOM 375 C LEU A 28 4.438 3.331 -5.378 1.00 0.00 C ATOM 376 O LEU A 28 4.526 4.483 -5.805 1.00 0.00 O ATOM 377 CB LEU A 28 6.358 1.690 -5.659 1.00 0.00 C ATOM 378 CG LEU A 28 7.881 1.844 -5.596 1.00 0.00 C ATOM 379 CD1 LEU A 28 8.299 3.190 -6.194 1.00 0.00 C ATOM 380 CD2 LEU A 28 8.447 1.667 -4.181 1.00 0.00 C ATOM 0 H LEU A 28 5.357 0.885 -3.639 1.00 0.00 H new ATOM 0 HA LEU A 28 6.292 3.452 -4.404 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.091 0.662 -5.414 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.021 1.873 -6.679 1.00 0.00 H new ATOM 0 HG LEU A 28 8.309 1.038 -6.192 1.00 0.00 H new ATOM 0 HD11 LEU A 28 9.383 3.289 -6.144 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.977 3.242 -7.234 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.834 3.999 -5.630 1.00 0.00 H new ATOM 0 HD21 LEU A 28 9.530 1.788 -4.205 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.012 2.416 -3.519 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.201 0.671 -3.813 1.00 0.00 H new ATOM 392 N THR A 29 3.327 2.618 -5.510 1.00 0.00 N ATOM 393 CA THR A 29 2.112 3.162 -6.079 1.00 0.00 C ATOM 394 C THR A 29 1.590 4.248 -5.151 1.00 0.00 C ATOM 395 O THR A 29 1.342 5.371 -5.581 1.00 0.00 O ATOM 396 CB THR A 29 1.104 2.025 -6.279 1.00 0.00 C ATOM 397 OG1 THR A 29 1.685 1.085 -7.154 1.00 0.00 O ATOM 398 CG2 THR A 29 -0.222 2.512 -6.869 1.00 0.00 C ATOM 0 H THR A 29 3.248 1.642 -5.223 1.00 0.00 H new ATOM 0 HA THR A 29 2.293 3.613 -7.055 1.00 0.00 H new ATOM 0 HB THR A 29 0.878 1.588 -5.306 1.00 0.00 H new ATOM 0 HG1 THR A 29 2.315 0.521 -6.658 1.00 0.00 H new ATOM 0 HG21 THR A 29 -0.899 1.666 -6.990 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.672 3.244 -6.198 1.00 0.00 H new ATOM 0 HG23 THR A 29 -0.041 2.973 -7.840 1.00 0.00 H new ATOM 406 N VAL A 30 1.431 3.926 -3.871 1.00 0.00 N ATOM 407 CA VAL A 30 0.921 4.878 -2.909 1.00 0.00 C ATOM 408 C VAL A 30 1.794 6.139 -2.911 1.00 0.00 C ATOM 409 O VAL A 30 1.254 7.239 -2.925 1.00 0.00 O ATOM 410 CB VAL A 30 0.754 4.188 -1.545 1.00 0.00 C ATOM 411 CG1 VAL A 30 0.291 5.177 -0.475 1.00 0.00 C ATOM 412 CG2 VAL A 30 -0.318 3.092 -1.670 1.00 0.00 C ATOM 0 H VAL A 30 1.651 3.009 -3.482 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.076 5.227 -3.179 1.00 0.00 H new ATOM 0 HB VAL A 30 1.719 3.773 -1.254 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.182 4.658 0.477 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.028 5.973 -0.372 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.668 5.605 -0.766 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.445 2.596 -0.708 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.264 3.541 -1.974 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.006 2.362 -2.417 1.00 0.00 H new ATOM 422 N MET A 31 3.119 6.009 -2.973 1.00 0.00 N ATOM 423 CA MET A 31 4.002 7.159 -3.107 1.00 0.00 C ATOM 424 C MET A 31 3.668 7.995 -4.344 1.00 0.00 C ATOM 425 O MET A 31 3.774 9.218 -4.320 1.00 0.00 O ATOM 426 CB MET A 31 5.467 6.748 -3.065 1.00 0.00 C ATOM 427 CG MET A 31 6.096 6.873 -1.671 1.00 0.00 C ATOM 428 SD MET A 31 6.199 8.571 -1.036 1.00 0.00 S ATOM 429 CE MET A 31 7.073 8.359 0.527 1.00 0.00 C ATOM 0 H MET A 31 3.603 5.112 -2.932 1.00 0.00 H new ATOM 0 HA MET A 31 3.829 7.802 -2.244 1.00 0.00 H new ATOM 0 HB2 MET A 31 5.557 5.716 -3.405 1.00 0.00 H new ATOM 0 HB3 MET A 31 6.030 7.365 -3.766 1.00 0.00 H new ATOM 0 HG2 MET A 31 5.516 6.272 -0.970 1.00 0.00 H new ATOM 0 HG3 MET A 31 7.100 6.449 -1.701 1.00 0.00 H new ATOM 0 HE1 MET A 31 6.822 9.180 1.198 1.00 0.00 H new ATOM 0 HE2 MET A 31 6.778 7.414 0.983 1.00 0.00 H new ATOM 0 HE3 MET A 31 8.148 8.354 0.345 1.00 0.00 H new ATOM 439 N GLN A 32 3.302 7.340 -5.443 1.00 0.00 N ATOM 440 CA GLN A 32 2.971 8.019 -6.681 1.00 0.00 C ATOM 441 C GLN A 32 1.661 8.803 -6.556 1.00 0.00 C ATOM 442 O GLN A 32 1.578 9.951 -6.985 1.00 0.00 O ATOM 443 CB GLN A 32 2.881 7.000 -7.815 1.00 0.00 C ATOM 444 CG GLN A 32 3.081 7.668 -9.178 1.00 0.00 C ATOM 445 CD GLN A 32 4.559 7.783 -9.527 1.00 0.00 C ATOM 446 OE1 GLN A 32 5.202 6.779 -9.822 1.00 0.00 O ATOM 447 NE2 GLN A 32 5.138 8.970 -9.469 1.00 0.00 N ATOM 0 H GLN A 32 3.228 6.324 -5.495 1.00 0.00 H new ATOM 0 HA GLN A 32 3.761 8.737 -6.903 1.00 0.00 H new ATOM 0 HB2 GLN A 32 3.635 6.226 -7.672 1.00 0.00 H new ATOM 0 HB3 GLN A 32 1.909 6.507 -7.788 1.00 0.00 H new ATOM 0 HG2 GLN A 32 2.568 7.091 -9.947 1.00 0.00 H new ATOM 0 HG3 GLN A 32 2.629 8.660 -9.169 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.589 9.794 -9.222 1.00 0.00 H new ATOM 0 HE22 GLN A 32 6.134 9.062 -9.671 1.00 0.00 H new ATOM 456 N ASN A 33 0.602 8.146 -6.078 1.00 0.00 N ATOM 457 CA ASN A 33 -0.751 8.711 -6.097 1.00 0.00 C ATOM 458 C ASN A 33 -1.074 9.494 -4.828 1.00 0.00 C ATOM 459 O ASN A 33 -2.097 10.181 -4.790 1.00 0.00 O ATOM 460 CB ASN A 33 -1.867 7.678 -6.383 1.00 0.00 C ATOM 461 CG ASN A 33 -1.461 6.212 -6.335 1.00 0.00 C ATOM 462 OD1 ASN A 33 -0.861 5.703 -7.278 1.00 0.00 O ATOM 463 ND2 ASN A 33 -1.809 5.500 -5.271 1.00 0.00 N ATOM 0 H ASN A 33 0.656 7.213 -5.669 1.00 0.00 H new ATOM 0 HA ASN A 33 -0.738 9.401 -6.941 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -2.670 7.834 -5.662 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -2.280 7.886 -7.370 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -1.579 4.507 -5.224 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -2.307 5.945 -4.500 1.00 0.00 H new ATOM 470 N CYS A 34 -0.284 9.355 -3.771 1.00 0.00 N ATOM 471 CA CYS A 34 -0.644 9.810 -2.438 1.00 0.00 C ATOM 472 C CYS A 34 0.628 10.220 -1.707 1.00 0.00 C ATOM 473 O CYS A 34 1.734 10.068 -2.229 1.00 0.00 O ATOM 474 CB CYS A 34 -1.376 8.671 -1.710 1.00 0.00 C ATOM 475 SG CYS A 34 -3.121 8.450 -2.121 1.00 0.00 S ATOM 0 H CYS A 34 0.636 8.917 -3.818 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.310 10.672 -2.478 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.854 7.738 -1.922 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -1.296 8.844 -0.637 1.00 0.00 H new ATOM 480 N GLU A 35 0.475 10.730 -0.487 1.00 0.00 N ATOM 481 CA GLU A 35 1.569 11.034 0.417 1.00 0.00 C ATOM 482 C GLU A 35 1.487 10.042 1.580 1.00 0.00 C ATOM 483 O GLU A 35 0.823 10.310 2.580 1.00 0.00 O ATOM 484 CB GLU A 35 1.466 12.504 0.857 1.00 0.00 C ATOM 485 CG GLU A 35 2.707 12.989 1.624 1.00 0.00 C ATOM 486 CD GLU A 35 3.978 12.880 0.813 1.00 0.00 C ATOM 487 OE1 GLU A 35 3.914 13.067 -0.416 1.00 0.00 O ATOM 488 OE2 GLU A 35 5.053 12.663 1.407 1.00 0.00 O ATOM 0 H GLU A 35 -0.441 10.947 -0.094 1.00 0.00 H new ATOM 0 HA GLU A 35 2.545 10.924 -0.055 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.321 13.132 -0.022 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.585 12.628 1.486 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.561 14.027 1.923 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.814 12.406 2.538 1.00 0.00 H new ATOM 495 N PRO A 36 2.080 8.848 1.462 1.00 0.00 N ATOM 496 CA PRO A 36 2.243 7.967 2.604 1.00 0.00 C ATOM 497 C PRO A 36 3.309 8.546 3.547 1.00 0.00 C ATOM 498 O PRO A 36 3.940 9.550 3.218 1.00 0.00 O ATOM 499 CB PRO A 36 2.659 6.624 2.004 1.00 0.00 C ATOM 500 CG PRO A 36 3.384 7.009 0.719 1.00 0.00 C ATOM 501 CD PRO A 36 2.708 8.303 0.273 1.00 0.00 C ATOM 0 HA PRO A 36 1.339 7.856 3.203 1.00 0.00 H new ATOM 0 HB2 PRO A 36 3.310 6.068 2.679 1.00 0.00 H new ATOM 0 HB3 PRO A 36 1.795 5.991 1.802 1.00 0.00 H new ATOM 0 HG2 PRO A 36 4.450 7.157 0.894 1.00 0.00 H new ATOM 0 HG3 PRO A 36 3.290 6.231 -0.038 1.00 0.00 H new ATOM 0 HD2 PRO A 36 3.435 9.002 -0.141 1.00 0.00 H new ATOM 0 HD3 PRO A 36 1.970 8.111 -0.506 1.00 0.00 H new ATOM 509 N PRO A 37 3.543 7.929 4.713 1.00 0.00 N ATOM 510 CA PRO A 37 2.740 6.884 5.311 1.00 0.00 C ATOM 511 C PRO A 37 1.417 7.483 5.763 1.00 0.00 C ATOM 512 O PRO A 37 1.378 8.596 6.279 1.00 0.00 O ATOM 513 CB PRO A 37 3.584 6.319 6.453 1.00 0.00 C ATOM 514 CG PRO A 37 4.417 7.521 6.890 1.00 0.00 C ATOM 515 CD PRO A 37 4.655 8.264 5.572 1.00 0.00 C ATOM 0 HA PRO A 37 2.483 6.075 4.627 1.00 0.00 H new ATOM 0 HB2 PRO A 37 2.963 5.941 7.265 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.212 5.492 6.120 1.00 0.00 H new ATOM 0 HG2 PRO A 37 3.886 8.140 7.613 1.00 0.00 H new ATOM 0 HG3 PRO A 37 5.353 7.216 7.358 1.00 0.00 H new ATOM 0 HD2 PRO A 37 4.709 9.340 5.736 1.00 0.00 H new ATOM 0 HD3 PRO A 37 5.600 7.962 5.120 1.00 0.00 H new ATOM 523 N PHE A 38 0.316 6.792 5.466 1.00 0.00 N ATOM 524 CA PHE A 38 -1.018 7.305 5.701 1.00 0.00 C ATOM 525 C PHE A 38 -1.183 7.741 7.161 1.00 0.00 C ATOM 526 O PHE A 38 -0.665 7.086 8.071 1.00 0.00 O ATOM 527 CB PHE A 38 -1.933 6.179 5.254 1.00 0.00 C ATOM 528 CG PHE A 38 -3.420 6.358 5.356 1.00 0.00 C ATOM 529 CD1 PHE A 38 -4.032 5.996 6.561 1.00 0.00 C ATOM 530 CD2 PHE A 38 -4.188 6.475 4.185 1.00 0.00 C ATOM 531 CE1 PHE A 38 -5.415 5.751 6.609 1.00 0.00 C ATOM 532 CE2 PHE A 38 -5.579 6.294 4.245 1.00 0.00 C ATOM 533 CZ PHE A 38 -6.193 5.918 5.451 1.00 0.00 C ATOM 0 H PHE A 38 0.333 5.859 5.055 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.254 8.213 5.146 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.700 5.961 4.212 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.669 5.293 5.832 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.439 5.904 7.459 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -3.711 6.703 3.243 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -5.878 5.436 7.532 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -6.179 6.445 3.360 1.00 0.00 H new ATOM 0 HZ PHE A 38 -7.260 5.758 5.488 1.00 0.00 H new ATOM 543 N SER A 39 -1.820 8.896 7.340 1.00 0.00 N ATOM 544 CA SER A 39 -1.957 9.563 8.615 1.00 0.00 C ATOM 545 C SER A 39 -3.083 8.899 9.394 1.00 0.00 C ATOM 546 CB SER A 39 -2.245 11.046 8.382 1.00 0.00 C ATOM 547 OG SER A 39 -1.153 11.660 7.717 1.00 0.00 O ATOM 0 H SER A 39 -2.265 9.401 6.574 1.00 0.00 H new ATOM 0 HA SER A 39 -1.036 9.483 9.192 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.152 11.159 7.788 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.425 11.543 9.335 1.00 0.00 H new ATOM 0 HG SER A 39 -1.350 12.609 7.572 1.00 0.00 H new TER 553 SER A 39