USER MOD reduce.3.24.130724 H: found=0, std=0, add=287, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 249 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -177:sc= 0 (180deg=-0.00931) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 ASN : amide:sc= -0.0147 X(o=-0.015,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0.0264 USER MOD Single : A 13 THR OG1 : rot -170:sc= 0 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot -66:sc= 0.364 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc=-0.00415 X(o=-0.0041,f=-0.0041) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 160:sc= 0 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.0272 X(o=-0.027,f=-0.019) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.592 8.332 14.038 1.00 0.00 N ATOM 2 CA MET A 1 -5.567 9.820 14.079 1.00 0.00 C ATOM 3 C MET A 1 -5.825 10.451 12.702 1.00 0.00 C ATOM 4 O MET A 1 -5.172 10.098 11.713 1.00 0.00 O ATOM 5 CB MET A 1 -4.264 10.211 14.792 1.00 0.00 C ATOM 6 CG MET A 1 -4.285 11.273 15.885 1.00 0.00 C ATOM 7 SD MET A 1 -4.495 10.778 17.606 1.00 0.00 S ATOM 8 CE MET A 1 -3.638 12.167 18.346 1.00 0.00 C ATOM 0 H1 MET A 1 -5.464 7.956 14.999 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.506 8.010 13.660 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.824 7.989 13.426 1.00 0.00 H new ATOM 0 HA MET A 1 -6.395 10.237 14.652 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.848 9.303 15.229 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.563 10.546 14.027 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.350 11.829 15.818 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.088 11.970 15.646 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.647 12.064 19.431 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.607 12.189 17.992 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.138 13.094 18.066 1.00 0.00 H new ATOM 18 N ILE A 2 -7.005 11.091 12.673 1.00 0.00 N ATOM 19 CA ILE A 2 -7.613 11.959 11.648 1.00 0.00 C ATOM 20 C ILE A 2 -8.039 13.347 12.171 1.00 0.00 C ATOM 21 O ILE A 2 -8.727 13.409 13.194 1.00 0.00 O ATOM 22 CB ILE A 2 -8.655 11.341 10.666 1.00 0.00 C ATOM 23 CG1 ILE A 2 -9.880 10.542 11.151 1.00 0.00 C ATOM 24 CG2 ILE A 2 -7.972 10.507 9.587 1.00 0.00 C ATOM 25 CD1 ILE A 2 -11.258 11.179 11.085 1.00 0.00 C ATOM 0 H ILE A 2 -7.636 11.001 13.469 1.00 0.00 H new ATOM 0 HA ILE A 2 -6.752 12.098 10.994 1.00 0.00 H new ATOM 0 HB ILE A 2 -9.104 12.277 10.334 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -9.918 9.618 10.573 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -9.698 10.262 12.189 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -8.725 10.090 8.918 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -7.290 11.138 9.017 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -7.412 9.696 10.054 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -12.001 10.478 11.465 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -11.270 12.085 11.691 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -11.493 11.432 10.051 1.00 0.00 H new ATOM 36 N SER A 3 -7.480 14.425 11.585 1.00 0.00 N ATOM 37 CA SER A 3 -7.852 15.855 11.633 1.00 0.00 C ATOM 38 C SER A 3 -8.073 16.570 10.281 1.00 0.00 C ATOM 39 O SER A 3 -7.826 15.943 9.249 1.00 0.00 O ATOM 40 CB SER A 3 -6.830 16.649 12.462 1.00 0.00 C ATOM 41 OG SER A 3 -7.475 17.389 13.487 1.00 0.00 O ATOM 0 H SER A 3 -6.657 14.299 10.995 1.00 0.00 H new ATOM 0 HA SER A 3 -8.836 15.840 12.101 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.104 15.966 12.903 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.276 17.327 11.812 1.00 0.00 H new ATOM 0 HG SER A 3 -6.806 17.885 14.003 1.00 0.00 H new ATOM 46 N ASP A 4 -8.784 17.715 10.248 1.00 0.00 N ATOM 47 CA ASP A 4 -8.730 18.851 9.309 1.00 0.00 C ATOM 48 C ASP A 4 -7.436 19.689 9.330 1.00 0.00 C ATOM 49 O ASP A 4 -7.119 20.349 10.325 1.00 0.00 O ATOM 50 CB ASP A 4 -10.000 19.724 9.402 1.00 0.00 C ATOM 51 CG ASP A 4 -11.298 19.318 8.717 1.00 0.00 C ATOM 52 OD1 ASP A 4 -11.537 19.769 7.574 1.00 0.00 O ATOM 53 OD2 ASP A 4 -12.205 18.803 9.408 1.00 0.00 O ATOM 0 H ASP A 4 -9.492 17.884 10.963 1.00 0.00 H new ATOM 0 HA ASP A 4 -8.702 18.382 8.325 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -10.225 19.843 10.462 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -9.735 20.710 9.020 1.00 0.00 H new ATOM 57 N GLU A 5 -6.563 19.192 8.440 1.00 0.00 N ATOM 58 CA GLU A 5 -5.208 19.569 7.994 1.00 0.00 C ATOM 59 C GLU A 5 -4.888 19.155 6.542 1.00 0.00 C ATOM 60 O GLU A 5 -5.523 18.234 6.020 1.00 0.00 O ATOM 61 CB GLU A 5 -4.101 19.055 8.935 1.00 0.00 C ATOM 62 CG GLU A 5 -3.568 20.073 9.939 1.00 0.00 C ATOM 63 CD GLU A 5 -3.122 19.607 11.315 1.00 0.00 C ATOM 64 OE1 GLU A 5 -3.943 19.686 12.254 1.00 0.00 O ATOM 65 OE2 GLU A 5 -1.912 19.375 11.522 1.00 0.00 O ATOM 0 H GLU A 5 -6.848 18.361 7.922 1.00 0.00 H new ATOM 0 HA GLU A 5 -5.217 20.658 8.029 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -4.485 18.196 9.484 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -3.269 18.699 8.328 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -2.720 20.576 9.474 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -4.344 20.825 10.085 1.00 0.00 H new ATOM 70 N GLN A 6 -4.027 19.933 5.862 1.00 0.00 N ATOM 71 CA GLN A 6 -3.138 19.713 4.703 1.00 0.00 C ATOM 72 C GLN A 6 -2.251 18.466 4.550 1.00 0.00 C ATOM 73 O GLN A 6 -2.154 18.008 3.406 1.00 0.00 O ATOM 74 CB GLN A 6 -2.392 21.053 4.455 1.00 0.00 C ATOM 75 CG GLN A 6 -1.366 21.762 5.344 1.00 0.00 C ATOM 76 CD GLN A 6 -0.117 22.336 4.681 1.00 0.00 C ATOM 77 OE1 GLN A 6 0.898 21.644 4.593 1.00 0.00 O ATOM 78 NE2 GLN A 6 -0.012 23.651 4.503 1.00 0.00 N ATOM 0 H GLN A 6 -3.923 20.900 6.169 1.00 0.00 H new ATOM 0 HA GLN A 6 -3.824 19.411 3.911 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -1.888 20.919 3.498 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -3.182 21.788 4.299 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -1.876 22.577 5.857 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -1.043 21.056 6.109 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -0.840 24.243 4.571 1.00 0.00 H new ATOM 0 HE22 GLN A 6 0.897 24.067 4.298 1.00 0.00 H new ATOM 85 N LEU A 7 -2.034 17.749 5.657 1.00 0.00 N ATOM 86 CA LEU A 7 -1.369 16.464 5.927 1.00 0.00 C ATOM 87 C LEU A 7 -1.754 15.206 5.114 1.00 0.00 C ATOM 88 O LEU A 7 -1.061 14.193 5.222 1.00 0.00 O ATOM 89 CB LEU A 7 -1.423 16.320 7.461 1.00 0.00 C ATOM 90 CG LEU A 7 -0.481 16.955 8.509 1.00 0.00 C ATOM 91 CD1 LEU A 7 0.885 16.305 8.651 1.00 0.00 C ATOM 92 CD2 LEU A 7 -0.273 18.463 8.602 1.00 0.00 C ATOM 0 H LEU A 7 -2.383 18.125 6.539 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.354 16.511 5.533 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -2.424 16.648 7.742 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.375 15.247 7.648 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.152 16.718 9.334 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.461 16.831 9.412 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.763 15.262 8.944 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.412 16.355 7.698 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.428 18.685 9.407 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.129 18.834 7.659 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -1.227 18.950 8.807 1.00 0.00 H new ATOM 103 N ASN A 8 -2.712 15.314 4.182 1.00 0.00 N ATOM 104 CA ASN A 8 -2.928 14.713 2.851 1.00 0.00 C ATOM 105 C ASN A 8 -1.759 14.695 1.842 1.00 0.00 C ATOM 106 O ASN A 8 -1.800 13.949 0.857 1.00 0.00 O ATOM 107 CB ASN A 8 -4.181 15.461 2.354 1.00 0.00 C ATOM 108 CG ASN A 8 -5.286 14.687 1.632 1.00 0.00 C ATOM 109 OD1 ASN A 8 -5.718 13.585 1.984 1.00 0.00 O ATOM 110 ND2 ASN A 8 -5.511 15.077 0.382 1.00 0.00 N ATOM 0 H ASN A 8 -3.493 15.938 4.383 1.00 0.00 H new ATOM 0 HA ASN A 8 -3.039 13.632 2.942 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -4.634 15.948 3.218 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -3.844 16.251 1.683 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -6.028 14.472 -0.256 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -5.167 15.982 0.060 1.00 0.00 H new ATOM 116 N SER A 9 -0.731 15.526 2.069 1.00 0.00 N ATOM 117 CA SER A 9 0.671 15.423 1.637 1.00 0.00 C ATOM 118 C SER A 9 1.567 14.311 2.214 1.00 0.00 C ATOM 119 O SER A 9 2.593 14.046 1.576 1.00 0.00 O ATOM 120 CB SER A 9 1.332 16.808 1.492 1.00 0.00 C ATOM 121 OG SER A 9 0.811 17.880 2.273 1.00 0.00 O ATOM 0 H SER A 9 -0.876 16.374 2.616 1.00 0.00 H new ATOM 0 HA SER A 9 0.572 14.995 0.640 1.00 0.00 H new ATOM 0 HB2 SER A 9 2.389 16.701 1.734 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.273 17.099 0.443 1.00 0.00 H new ATOM 0 HG SER A 9 1.319 18.697 2.087 1.00 0.00 H new ATOM 126 N LEU A 10 1.029 13.473 3.121 1.00 0.00 N ATOM 127 CA LEU A 10 1.240 12.034 3.334 1.00 0.00 C ATOM 128 C LEU A 10 0.548 11.090 2.344 1.00 0.00 C ATOM 129 O LEU A 10 1.294 10.263 1.822 1.00 0.00 O ATOM 130 CB LEU A 10 1.114 11.729 4.836 1.00 0.00 C ATOM 131 CG LEU A 10 0.749 10.411 5.548 1.00 0.00 C ATOM 132 CD1 LEU A 10 1.575 10.159 6.806 1.00 0.00 C ATOM 133 CD2 LEU A 10 -0.729 10.374 5.908 1.00 0.00 C ATOM 0 H LEU A 10 0.358 13.834 3.799 1.00 0.00 H new ATOM 0 HA LEU A 10 2.263 11.785 3.053 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.080 12.010 5.256 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.385 12.451 5.203 1.00 0.00 H new ATOM 0 HG LEU A 10 0.979 9.619 4.835 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.269 9.216 7.259 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.632 10.109 6.544 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.415 10.971 7.515 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.958 9.433 6.409 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -0.962 11.205 6.573 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.327 10.457 5.000 1.00 0.00 H new ATOM 144 N ALA A 11 -0.730 11.249 1.980 1.00 0.00 N ATOM 145 CA ALA A 11 -1.502 10.402 1.062 1.00 0.00 C ATOM 146 C ALA A 11 -1.164 10.376 -0.439 1.00 0.00 C ATOM 147 O ALA A 11 -1.506 9.406 -1.124 1.00 0.00 O ATOM 148 CB ALA A 11 -2.948 10.812 1.244 1.00 0.00 C ATOM 0 H ALA A 11 -1.289 12.022 2.342 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.244 9.381 1.345 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.581 10.217 0.586 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -3.245 10.647 2.280 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.061 11.868 0.998 1.00 0.00 H new ATOM 154 N ILE A 12 -0.183 11.222 -0.768 1.00 0.00 N ATOM 155 CA ILE A 12 0.854 11.080 -1.806 1.00 0.00 C ATOM 156 C ILE A 12 2.148 10.376 -1.372 1.00 0.00 C ATOM 157 O ILE A 12 2.102 9.193 -1.703 1.00 0.00 O ATOM 158 CB ILE A 12 0.878 12.319 -2.746 1.00 0.00 C ATOM 159 CG1 ILE A 12 0.400 12.247 -4.217 1.00 0.00 C ATOM 160 CG2 ILE A 12 1.968 13.385 -2.666 1.00 0.00 C ATOM 161 CD1 ILE A 12 0.864 11.192 -5.201 1.00 0.00 C ATOM 0 H ILE A 12 -0.082 12.107 -0.271 1.00 0.00 H new ATOM 0 HA ILE A 12 0.573 10.289 -2.502 1.00 0.00 H new ATOM 0 HB ILE A 12 0.043 12.629 -2.118 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.687 12.176 -4.182 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.642 13.211 -4.665 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.781 14.153 -3.416 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.962 13.837 -1.674 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.940 12.926 -2.850 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.384 11.358 -6.166 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.946 11.254 -5.318 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.596 10.204 -4.828 1.00 0.00 H new ATOM 172 N THR A 13 2.947 10.833 -0.397 1.00 0.00 N ATOM 173 CA THR A 13 4.232 10.308 0.118 1.00 0.00 C ATOM 174 C THR A 13 4.402 8.802 0.404 1.00 0.00 C ATOM 175 O THR A 13 4.978 8.122 -0.448 1.00 0.00 O ATOM 176 CB THR A 13 4.829 11.387 1.066 1.00 0.00 C ATOM 177 OG1 THR A 13 6.139 11.737 0.598 1.00 0.00 O ATOM 178 CG2 THR A 13 4.833 11.555 2.589 1.00 0.00 C ATOM 0 H THR A 13 2.683 11.677 0.112 1.00 0.00 H new ATOM 0 HA THR A 13 4.926 10.175 -0.712 1.00 0.00 H new ATOM 0 HB THR A 13 3.914 11.972 0.966 1.00 0.00 H new ATOM 0 HG1 THR A 13 6.588 12.294 1.268 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.371 12.465 2.853 1.00 0.00 H new ATOM 0 HG22 THR A 13 3.807 11.622 2.950 1.00 0.00 H new ATOM 0 HG23 THR A 13 5.324 10.697 3.048 1.00 0.00 H new ATOM 186 N PHE A 14 3.535 8.362 1.316 1.00 0.00 N ATOM 187 CA PHE A 14 2.892 7.116 1.766 1.00 0.00 C ATOM 188 C PHE A 14 2.133 6.199 0.807 1.00 0.00 C ATOM 189 O PHE A 14 2.416 4.999 0.883 1.00 0.00 O ATOM 190 CB PHE A 14 2.279 7.451 3.143 1.00 0.00 C ATOM 191 CG PHE A 14 0.943 6.974 3.662 1.00 0.00 C ATOM 192 CD1 PHE A 14 -0.196 7.507 3.079 1.00 0.00 C ATOM 193 CD2 PHE A 14 0.795 5.880 4.508 1.00 0.00 C ATOM 194 CE1 PHE A 14 -1.402 6.837 3.163 1.00 0.00 C ATOM 195 CE2 PHE A 14 -0.418 5.215 4.613 1.00 0.00 C ATOM 196 CZ PHE A 14 -1.515 5.669 3.899 1.00 0.00 C ATOM 0 H PHE A 14 3.168 9.091 1.928 1.00 0.00 H new ATOM 0 HA PHE A 14 3.656 6.342 1.835 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.014 7.125 3.879 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.241 8.539 3.191 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.141 8.451 2.556 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.638 5.543 5.093 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.267 7.229 2.648 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -0.507 4.347 5.249 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.445 5.120 3.916 1.00 0.00 H new ATOM 205 N GLY A 15 1.552 6.824 -0.219 1.00 0.00 N ATOM 206 CA GLY A 15 0.540 6.348 -1.153 1.00 0.00 C ATOM 207 C GLY A 15 1.003 5.844 -2.513 1.00 0.00 C ATOM 208 O GLY A 15 0.216 5.049 -3.038 1.00 0.00 O ATOM 0 H GLY A 15 1.812 7.786 -0.436 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -0.010 5.542 -0.667 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -0.168 7.160 -1.321 1.00 0.00 H new ATOM 212 N ILE A 16 2.143 6.320 -3.051 1.00 0.00 N ATOM 213 CA ILE A 16 3.063 5.600 -3.911 1.00 0.00 C ATOM 214 C ILE A 16 3.771 4.364 -3.305 1.00 0.00 C ATOM 215 O ILE A 16 3.850 3.383 -4.058 1.00 0.00 O ATOM 216 CB ILE A 16 3.906 6.468 -4.882 1.00 0.00 C ATOM 217 CG1 ILE A 16 4.753 7.716 -4.576 1.00 0.00 C ATOM 218 CG2 ILE A 16 3.478 6.494 -6.345 1.00 0.00 C ATOM 219 CD1 ILE A 16 4.076 8.974 -4.122 1.00 0.00 C ATOM 0 H ILE A 16 2.452 7.277 -2.878 1.00 0.00 H new ATOM 0 HA ILE A 16 2.367 5.111 -4.592 1.00 0.00 H new ATOM 0 HB ILE A 16 4.640 5.748 -4.520 1.00 0.00 H new ATOM 0 HG12 ILE A 16 5.477 7.440 -3.809 1.00 0.00 H new ATOM 0 HG13 ILE A 16 5.318 7.956 -5.476 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.152 7.138 -6.910 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.514 5.484 -6.753 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.461 6.879 -6.420 1.00 0.00 H new ATOM 0 HD11 ILE A 16 4.824 9.749 -3.953 1.00 0.00 H new ATOM 0 HD12 ILE A 16 3.375 9.307 -4.888 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.536 8.782 -3.195 1.00 0.00 H new ATOM 230 N VAL A 17 4.060 4.323 -1.978 1.00 0.00 N ATOM 231 CA VAL A 17 4.466 3.216 -1.100 1.00 0.00 C ATOM 232 C VAL A 17 3.334 2.240 -0.717 1.00 0.00 C ATOM 233 O VAL A 17 3.655 1.046 -0.688 1.00 0.00 O ATOM 234 CB VAL A 17 5.325 3.595 0.145 1.00 0.00 C ATOM 235 CG1 VAL A 17 6.697 2.945 0.194 1.00 0.00 C ATOM 236 CG2 VAL A 17 5.819 5.024 0.229 1.00 0.00 C ATOM 0 H VAL A 17 4.003 5.186 -1.437 1.00 0.00 H new ATOM 0 HA VAL A 17 5.144 2.679 -1.764 1.00 0.00 H new ATOM 0 HB VAL A 17 4.600 3.304 0.905 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.220 3.267 1.094 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.586 1.861 0.208 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.271 3.240 -0.685 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.402 5.154 1.141 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.444 5.244 -0.636 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.967 5.703 0.243 1.00 0.00 H new ATOM 246 N MET A 18 2.067 2.688 -0.554 1.00 0.00 N ATOM 247 CA MET A 18 0.810 1.937 -0.434 1.00 0.00 C ATOM 248 C MET A 18 0.264 1.344 -1.744 1.00 0.00 C ATOM 249 O MET A 18 0.086 0.128 -1.654 1.00 0.00 O ATOM 250 CB MET A 18 -0.112 2.918 0.298 1.00 0.00 C ATOM 251 CG MET A 18 -1.156 2.554 1.356 1.00 0.00 C ATOM 252 SD MET A 18 -2.758 1.989 0.747 1.00 0.00 S ATOM 253 CE MET A 18 -3.836 3.423 0.797 1.00 0.00 C ATOM 0 H MET A 18 1.890 3.691 -0.498 1.00 0.00 H new ATOM 0 HA MET A 18 0.933 1.006 0.120 1.00 0.00 H new ATOM 0 HB2 MET A 18 0.548 3.643 0.774 1.00 0.00 H new ATOM 0 HB3 MET A 18 -0.657 3.448 -0.483 1.00 0.00 H new ATOM 0 HG2 MET A 18 -0.739 1.774 1.993 1.00 0.00 H new ATOM 0 HG3 MET A 18 -1.320 3.427 1.988 1.00 0.00 H new ATOM 0 HE1 MET A 18 -4.827 3.146 0.438 1.00 0.00 H new ATOM 0 HE2 MET A 18 -3.910 3.787 1.822 1.00 0.00 H new ATOM 0 HE3 MET A 18 -3.427 4.208 0.161 1.00 0.00 H new ATOM 261 N MET A 19 0.424 1.965 -2.928 1.00 0.00 N ATOM 262 CA MET A 19 0.206 1.429 -4.274 1.00 0.00 C ATOM 263 C MET A 19 1.146 0.306 -4.733 1.00 0.00 C ATOM 264 O MET A 19 0.558 -0.687 -5.165 1.00 0.00 O ATOM 265 CB MET A 19 0.115 2.523 -5.366 1.00 0.00 C ATOM 266 CG MET A 19 -1.079 3.435 -5.647 1.00 0.00 C ATOM 267 SD MET A 19 -2.646 2.756 -6.220 1.00 0.00 S ATOM 268 CE MET A 19 -3.413 4.281 -6.772 1.00 0.00 C ATOM 0 H MET A 19 0.735 2.936 -2.964 1.00 0.00 H new ATOM 0 HA MET A 19 -0.769 0.956 -4.155 1.00 0.00 H new ATOM 0 HB2 MET A 19 0.954 3.192 -5.178 1.00 0.00 H new ATOM 0 HB3 MET A 19 0.319 2.012 -6.307 1.00 0.00 H new ATOM 0 HG2 MET A 19 -1.285 3.984 -4.728 1.00 0.00 H new ATOM 0 HG3 MET A 19 -0.756 4.165 -6.389 1.00 0.00 H new ATOM 0 HE1 MET A 19 -4.406 4.067 -7.167 1.00 0.00 H new ATOM 0 HE2 MET A 19 -3.497 4.971 -5.932 1.00 0.00 H new ATOM 0 HE3 MET A 19 -2.802 4.734 -7.553 1.00 0.00 H new ATOM 276 N THR A 20 2.376 0.254 -4.199 1.00 0.00 N ATOM 277 CA THR A 20 3.362 -0.822 -4.309 1.00 0.00 C ATOM 278 C THR A 20 3.205 -2.027 -3.365 1.00 0.00 C ATOM 279 O THR A 20 3.314 -3.112 -3.936 1.00 0.00 O ATOM 280 CB THR A 20 4.832 -0.340 -4.290 1.00 0.00 C ATOM 281 OG1 THR A 20 5.168 0.722 -3.382 1.00 0.00 O ATOM 282 CG2 THR A 20 5.442 -0.002 -5.650 1.00 0.00 C ATOM 0 H THR A 20 2.731 1.026 -3.635 1.00 0.00 H new ATOM 0 HA THR A 20 3.115 -1.196 -5.303 1.00 0.00 H new ATOM 0 HB THR A 20 5.281 -1.257 -3.908 1.00 0.00 H new ATOM 0 HG1 THR A 20 4.713 1.545 -3.658 1.00 0.00 H new ATOM 0 HG21 THR A 20 6.473 0.324 -5.515 1.00 0.00 H new ATOM 0 HG22 THR A 20 5.421 -0.886 -6.288 1.00 0.00 H new ATOM 0 HG23 THR A 20 4.867 0.797 -6.118 1.00 0.00 H new ATOM 290 N LEU A 21 2.688 -1.887 -2.133 1.00 0.00 N ATOM 291 CA LEU A 21 2.164 -2.871 -1.167 1.00 0.00 C ATOM 292 C LEU A 21 0.767 -3.455 -1.452 1.00 0.00 C ATOM 293 O LEU A 21 0.753 -4.682 -1.347 1.00 0.00 O ATOM 294 CB LEU A 21 2.326 -2.477 0.317 1.00 0.00 C ATOM 295 CG LEU A 21 3.417 -3.024 1.252 1.00 0.00 C ATOM 296 CD1 LEU A 21 3.371 -2.286 2.583 1.00 0.00 C ATOM 297 CD2 LEU A 21 3.354 -4.481 1.682 1.00 0.00 C ATOM 0 H LEU A 21 2.618 -0.950 -1.736 1.00 0.00 H new ATOM 0 HA LEU A 21 2.846 -3.701 -1.352 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.434 -1.392 0.331 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.375 -2.709 0.796 1.00 0.00 H new ATOM 0 HG LEU A 21 4.302 -2.891 0.630 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.146 -2.677 3.243 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.540 -1.222 2.415 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.394 -2.430 3.045 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.195 -4.703 2.338 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.421 -4.663 2.214 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.401 -5.122 0.802 1.00 0.00 H new ATOM 308 N ILE A 22 -0.173 -2.768 -2.132 1.00 0.00 N ATOM 309 CA ILE A 22 -1.490 -3.198 -2.639 1.00 0.00 C ATOM 310 C ILE A 22 -1.503 -4.150 -3.843 1.00 0.00 C ATOM 311 O ILE A 22 -2.205 -5.163 -3.794 1.00 0.00 O ATOM 312 CB ILE A 22 -2.624 -2.156 -2.642 1.00 0.00 C ATOM 313 CG1 ILE A 22 -4.059 -2.600 -2.899 1.00 0.00 C ATOM 314 CG2 ILE A 22 -2.438 -0.817 -3.294 1.00 0.00 C ATOM 315 CD1 ILE A 22 -4.967 -2.965 -1.752 1.00 0.00 C ATOM 0 H ILE A 22 -0.008 -1.789 -2.365 1.00 0.00 H new ATOM 0 HA ILE A 22 -1.767 -3.849 -1.810 1.00 0.00 H new ATOM 0 HB ILE A 22 -2.479 -2.021 -1.570 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.548 -1.799 -3.454 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.014 -3.465 -3.561 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -3.351 -0.231 -3.188 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -1.611 -0.291 -2.816 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.217 -0.955 -4.352 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.944 -3.254 -2.139 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.536 -3.798 -1.197 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.078 -2.107 -1.089 1.00 0.00 H new ATOM 326 N VAL A 23 -0.674 -3.815 -4.841 1.00 0.00 N ATOM 327 CA VAL A 23 -0.284 -4.470 -6.084 1.00 0.00 C ATOM 328 C VAL A 23 0.683 -5.634 -5.790 1.00 0.00 C ATOM 329 O VAL A 23 0.635 -6.608 -6.549 1.00 0.00 O ATOM 330 CB VAL A 23 0.187 -3.313 -7.000 1.00 0.00 C ATOM 331 CG1 VAL A 23 0.700 -3.850 -8.328 1.00 0.00 C ATOM 332 CG2 VAL A 23 -0.868 -2.403 -7.624 1.00 0.00 C ATOM 0 H VAL A 23 -0.183 -2.924 -4.772 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.074 -4.995 -6.622 1.00 0.00 H new ATOM 0 HB VAL A 23 0.852 -2.804 -6.302 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.025 -3.020 -8.955 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.540 -4.521 -8.149 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.098 -4.395 -8.833 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.379 -1.645 -8.236 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.538 -2.996 -8.247 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.442 -1.917 -6.835 1.00 0.00 H new ATOM 342 N ILE A 24 1.304 -5.612 -4.594 1.00 0.00 N ATOM 343 CA ILE A 24 2.044 -6.671 -3.897 1.00 0.00 C ATOM 344 C ILE A 24 1.306 -7.717 -3.036 1.00 0.00 C ATOM 345 O ILE A 24 1.514 -8.913 -3.259 1.00 0.00 O ATOM 346 CB ILE A 24 3.480 -6.151 -3.596 1.00 0.00 C ATOM 347 CG1 ILE A 24 4.725 -6.507 -4.421 1.00 0.00 C ATOM 348 CG2 ILE A 24 3.971 -6.261 -2.170 1.00 0.00 C ATOM 349 CD1 ILE A 24 4.895 -5.817 -5.748 1.00 0.00 C ATOM 0 H ILE A 24 1.296 -4.758 -4.037 1.00 0.00 H new ATOM 0 HA ILE A 24 2.183 -7.543 -4.536 1.00 0.00 H new ATOM 0 HB ILE A 24 3.151 -5.165 -3.924 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.604 -6.292 -3.814 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.716 -7.582 -4.599 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.983 -5.863 -2.102 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.313 -5.692 -1.514 1.00 0.00 H new ATOM 0 HG23 ILE A 24 3.971 -7.307 -1.865 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.814 -6.162 -6.222 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.046 -6.050 -6.390 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.949 -4.739 -5.594 1.00 0.00 H new ATOM 360 N TYR A 25 0.291 -7.238 -2.301 1.00 0.00 N ATOM 361 CA TYR A 25 -0.871 -7.846 -1.623 1.00 0.00 C ATOM 362 C TYR A 25 -1.898 -8.586 -2.509 1.00 0.00 C ATOM 363 O TYR A 25 -2.096 -9.766 -2.206 1.00 0.00 O ATOM 364 CB TYR A 25 -1.321 -6.910 -0.479 1.00 0.00 C ATOM 365 CG TYR A 25 -0.811 -6.981 0.967 1.00 0.00 C ATOM 366 CD1 TYR A 25 0.496 -7.251 1.390 1.00 0.00 C ATOM 367 CD2 TYR A 25 -1.673 -6.557 1.982 1.00 0.00 C ATOM 368 CE1 TYR A 25 0.850 -7.200 2.742 1.00 0.00 C ATOM 369 CE2 TYR A 25 -1.325 -6.478 3.324 1.00 0.00 C ATOM 370 CZ TYR A 25 -0.044 -6.801 3.725 1.00 0.00 C ATOM 371 OH TYR A 25 0.240 -6.859 5.077 1.00 0.00 O ATOM 0 H TYR A 25 0.264 -6.231 -2.141 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.581 -8.770 -1.122 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -1.112 -5.896 -0.821 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -2.405 -7.009 -0.420 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.247 -7.504 0.656 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.677 -6.272 1.704 1.00 0.00 H new ATOM 0 HE1 TYR A 25 1.852 -7.480 3.030 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -2.056 -6.164 4.054 1.00 0.00 H new ATOM 0 HH TYR A 25 -0.529 -6.529 5.587 1.00 0.00 H new ATOM 380 N HIS A 26 -2.020 -8.188 -3.785 1.00 0.00 N ATOM 381 CA HIS A 26 -2.573 -8.900 -4.947 1.00 0.00 C ATOM 382 C HIS A 26 -1.780 -10.027 -5.627 1.00 0.00 C ATOM 383 O HIS A 26 -2.370 -10.810 -6.382 1.00 0.00 O ATOM 384 CB HIS A 26 -3.074 -7.786 -5.893 1.00 0.00 C ATOM 385 CG HIS A 26 -3.829 -7.883 -7.191 1.00 0.00 C ATOM 386 ND1 HIS A 26 -5.168 -8.125 -7.401 1.00 0.00 N ATOM 387 CD2 HIS A 26 -3.208 -8.227 -8.330 1.00 0.00 C ATOM 388 CE1 HIS A 26 -5.345 -8.659 -8.597 1.00 0.00 C ATOM 389 NE2 HIS A 26 -4.164 -8.737 -9.187 1.00 0.00 N ATOM 0 H HIS A 26 -1.699 -7.259 -4.057 1.00 0.00 H new ATOM 0 HA HIS A 26 -3.362 -9.556 -4.579 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -3.696 -7.151 -5.262 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -2.180 -7.214 -6.139 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -2.153 -8.124 -8.539 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -6.288 -8.976 -9.018 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -3.988 -9.111 -10.119 1.00 0.00 H new ATOM 397 N ALA A 27 -0.491 -10.120 -5.278 1.00 0.00 N ATOM 398 CA ALA A 27 0.444 -11.213 -5.575 1.00 0.00 C ATOM 399 C ALA A 27 0.693 -12.244 -4.460 1.00 0.00 C ATOM 400 O ALA A 27 0.869 -13.405 -4.839 1.00 0.00 O ATOM 401 CB ALA A 27 1.694 -10.552 -6.148 1.00 0.00 C ATOM 0 H ALA A 27 -0.041 -9.379 -4.741 1.00 0.00 H new ATOM 0 HA ALA A 27 -0.011 -11.884 -6.304 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.432 -11.317 -6.390 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.433 -10.001 -7.051 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.112 -9.865 -5.412 1.00 0.00 H new ATOM 407 N VAL A 28 0.372 -11.908 -3.200 1.00 0.00 N ATOM 408 CA VAL A 28 0.485 -12.677 -1.955 1.00 0.00 C ATOM 409 C VAL A 28 -0.820 -13.322 -1.459 1.00 0.00 C ATOM 410 O VAL A 28 -0.861 -14.552 -1.563 1.00 0.00 O ATOM 411 CB VAL A 28 1.423 -12.028 -0.894 1.00 0.00 C ATOM 412 CG1 VAL A 28 2.574 -11.185 -1.408 1.00 0.00 C ATOM 413 CG2 VAL A 28 1.080 -11.448 0.473 1.00 0.00 C ATOM 0 H VAL A 28 -0.017 -10.984 -3.011 1.00 0.00 H new ATOM 0 HA VAL A 28 1.042 -13.575 -2.223 1.00 0.00 H new ATOM 0 HB VAL A 28 1.561 -13.080 -0.645 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.144 -10.795 -0.565 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.223 -11.798 -2.033 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.183 -10.355 -1.996 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.988 -11.077 0.949 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.372 -10.628 0.353 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.635 -12.224 1.096 1.00 0.00 H new ATOM 423 N ASP A 29 -1.876 -12.518 -1.255 1.00 0.00 N ATOM 424 CA ASP A 29 -3.256 -12.739 -0.799 1.00 0.00 C ATOM 425 C ASP A 29 -4.207 -13.290 -1.881 1.00 0.00 C ATOM 426 O ASP A 29 -4.562 -14.463 -1.744 1.00 0.00 O ATOM 427 CB ASP A 29 -3.698 -11.389 -0.206 1.00 0.00 C ATOM 428 CG ASP A 29 -4.627 -11.342 1.018 1.00 0.00 C ATOM 429 OD1 ASP A 29 -5.746 -11.903 1.002 1.00 0.00 O ATOM 430 OD2 ASP A 29 -4.387 -10.523 1.936 1.00 0.00 O ATOM 0 H ASP A 29 -1.753 -11.523 -1.441 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.298 -13.535 -0.055 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -2.793 -10.841 0.056 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.189 -10.832 -1.004 1.00 0.00 H new ATOM 434 N SER A 30 -4.376 -12.578 -3.008 1.00 0.00 N ATOM 435 CA SER A 30 -4.882 -12.921 -4.350 1.00 0.00 C ATOM 436 C SER A 30 -3.961 -13.654 -5.345 1.00 0.00 C ATOM 437 O SER A 30 -2.739 -13.534 -5.240 1.00 0.00 O ATOM 438 CB SER A 30 -5.426 -11.628 -4.966 1.00 0.00 C ATOM 439 OG SER A 30 -6.833 -11.461 -4.930 1.00 0.00 O ATOM 0 H SER A 30 -4.119 -11.591 -2.994 1.00 0.00 H new ATOM 0 HA SER A 30 -5.633 -13.691 -4.174 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.968 -10.784 -4.451 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.102 -11.581 -6.006 1.00 0.00 H new ATOM 0 HG SER A 30 -7.072 -10.606 -5.346 1.00 0.00 H new ATOM 444 N THR A 31 -4.579 -14.458 -6.229 1.00 0.00 N ATOM 445 CA THR A 31 -4.102 -15.347 -7.302 1.00 0.00 C ATOM 446 C THR A 31 -3.165 -14.776 -8.379 1.00 0.00 C ATOM 447 O THR A 31 -3.518 -13.792 -9.035 1.00 0.00 O ATOM 448 CB THR A 31 -5.288 -16.258 -7.737 1.00 0.00 C ATOM 449 OG1 THR A 31 -4.897 -17.448 -8.436 1.00 0.00 O ATOM 450 CG2 THR A 31 -6.521 -15.748 -8.479 1.00 0.00 C ATOM 0 H THR A 31 -5.598 -14.503 -6.197 1.00 0.00 H new ATOM 0 HA THR A 31 -3.322 -15.987 -6.890 1.00 0.00 H new ATOM 0 HB THR A 31 -5.624 -16.390 -6.708 1.00 0.00 H new ATOM 0 HG1 THR A 31 -5.622 -18.106 -8.393 1.00 0.00 H new ATOM 0 HG21 THR A 31 -7.202 -16.578 -8.667 1.00 0.00 H new ATOM 0 HG22 THR A 31 -7.025 -14.996 -7.872 1.00 0.00 H new ATOM 0 HG23 THR A 31 -6.217 -15.305 -9.428 1.00 0.00 H new ATOM 458 N MET A 32 -1.889 -15.011 -8.036 1.00 0.00 N ATOM 459 CA MET A 32 -0.669 -14.974 -8.851 1.00 0.00 C ATOM 460 C MET A 32 0.074 -16.316 -8.921 1.00 0.00 C ATOM 461 O MET A 32 0.190 -17.070 -7.947 1.00 0.00 O ATOM 462 CB MET A 32 0.286 -13.840 -8.437 1.00 0.00 C ATOM 463 CG MET A 32 0.854 -12.954 -9.537 1.00 0.00 C ATOM 464 SD MET A 32 0.189 -11.279 -9.636 1.00 0.00 S ATOM 465 CE MET A 32 1.214 -10.716 -10.993 1.00 0.00 C ATOM 0 H MET A 32 -1.665 -15.259 -7.072 1.00 0.00 H new ATOM 0 HA MET A 32 -1.023 -14.763 -9.860 1.00 0.00 H new ATOM 0 HB2 MET A 32 -0.241 -13.200 -7.730 1.00 0.00 H new ATOM 0 HB3 MET A 32 1.123 -14.286 -7.900 1.00 0.00 H new ATOM 0 HG2 MET A 32 1.933 -12.886 -9.399 1.00 0.00 H new ATOM 0 HG3 MET A 32 0.685 -13.447 -10.495 1.00 0.00 H new ATOM 0 HE1 MET A 32 0.968 -9.681 -11.229 1.00 0.00 H new ATOM 0 HE2 MET A 32 2.264 -10.784 -10.708 1.00 0.00 H new ATOM 0 HE3 MET A 32 1.034 -11.340 -11.868 1.00 0.00 H new ATOM 473 N SER A 33 0.343 -16.644 -10.190 1.00 0.00 N ATOM 474 CA SER A 33 1.517 -17.354 -10.706 1.00 0.00 C ATOM 475 C SER A 33 2.651 -16.408 -11.168 1.00 0.00 C ATOM 476 O SER A 33 2.380 -15.690 -12.132 1.00 0.00 O ATOM 477 CB SER A 33 1.011 -18.385 -11.748 1.00 0.00 C ATOM 478 OG SER A 33 -0.056 -19.265 -11.419 1.00 0.00 O ATOM 0 H SER A 33 -0.305 -16.401 -10.940 1.00 0.00 H new ATOM 0 HA SER A 33 2.022 -17.906 -9.914 1.00 0.00 H new ATOM 0 HB2 SER A 33 0.709 -17.828 -12.635 1.00 0.00 H new ATOM 0 HB3 SER A 33 1.863 -19.002 -12.034 1.00 0.00 H new ATOM 0 HG SER A 33 -0.250 -19.845 -12.185 1.00 0.00 H new ATOM 483 N PRO A 34 3.716 -16.083 -10.374 1.00 0.00 N ATOM 484 CA PRO A 34 4.938 -15.406 -10.886 1.00 0.00 C ATOM 485 C PRO A 34 6.112 -16.124 -11.590 1.00 0.00 C ATOM 486 O PRO A 34 6.665 -15.490 -12.498 1.00 0.00 O ATOM 487 CB PRO A 34 5.372 -14.390 -9.817 1.00 0.00 C ATOM 488 CG PRO A 34 4.581 -14.667 -8.585 1.00 0.00 C ATOM 489 CD PRO A 34 3.497 -15.644 -8.973 1.00 0.00 C ATOM 0 HA PRO A 34 4.582 -14.989 -11.828 1.00 0.00 H new ATOM 0 HB2 PRO A 34 6.439 -14.479 -9.615 1.00 0.00 H new ATOM 0 HB3 PRO A 34 5.197 -13.371 -10.163 1.00 0.00 H new ATOM 0 HG2 PRO A 34 5.216 -15.084 -7.804 1.00 0.00 H new ATOM 0 HG3 PRO A 34 4.149 -13.748 -8.188 1.00 0.00 H new ATOM 0 HD2 PRO A 34 3.509 -16.504 -8.303 1.00 0.00 H new ATOM 0 HD3 PRO A 34 2.517 -15.177 -8.874 1.00 0.00 H new ATOM 494 N LYS A 35 6.331 -17.429 -11.348 1.00 0.00 N ATOM 495 CA LYS A 35 7.105 -18.456 -12.078 1.00 0.00 C ATOM 496 C LYS A 35 6.351 -18.990 -13.313 1.00 0.00 C ATOM 497 O LYS A 35 7.021 -18.912 -14.349 1.00 0.00 O ATOM 498 CB LYS A 35 7.638 -19.535 -11.098 1.00 0.00 C ATOM 499 CG LYS A 35 8.794 -20.529 -11.211 1.00 0.00 C ATOM 500 CD LYS A 35 8.674 -21.745 -12.114 1.00 0.00 C ATOM 501 CE LYS A 35 9.792 -22.763 -12.179 1.00 0.00 C ATOM 502 NZ LYS A 35 9.452 -23.730 -13.259 1.00 0.00 N ATOM 0 H LYS A 35 5.910 -17.848 -10.519 1.00 0.00 H new ATOM 0 HA LYS A 35 7.994 -17.995 -12.509 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.853 -18.981 -10.184 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.769 -20.161 -10.894 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.670 -19.969 -11.538 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.006 -20.893 -10.206 1.00 0.00 H new ATOM 0 HD2 LYS A 35 7.770 -22.278 -11.819 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.512 -21.379 -13.128 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.744 -22.275 -12.387 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.899 -23.277 -11.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 10.202 -24.447 -13.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 8.549 -24.195 -13.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 9.367 -23.224 -14.164 1.00 0.00 H new ATOM 512 N ASN A 36 5.034 -19.301 -13.279 1.00 0.00 N ATOM 513 CA ASN A 36 4.251 -19.863 -14.390 1.00 0.00 C ATOM 514 C ASN A 36 3.297 -18.814 -15.007 1.00 0.00 C ATOM 515 O ASN A 36 2.046 -18.893 -14.945 1.00 0.00 O ATOM 516 CB ASN A 36 3.354 -21.091 -14.120 1.00 0.00 C ATOM 517 CG ASN A 36 3.373 -22.285 -15.064 1.00 0.00 C ATOM 518 OD1 ASN A 36 4.267 -22.620 -15.846 1.00 0.00 O ATOM 519 ND2 ASN A 36 2.164 -22.827 -15.115 1.00 0.00 N ATOM 520 OXT ASN A 36 3.779 -17.782 -15.518 1.00 0.00 O ATOM 0 H ASN A 36 4.471 -19.159 -12.440 1.00 0.00 H new ATOM 0 HA ASN A 36 5.064 -20.187 -15.039 1.00 0.00 H new ATOM 0 HB2 ASN A 36 3.607 -21.462 -13.127 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.325 -20.734 -14.074 1.00 0.00 H new ATOM 0 HD21 ASN A 36 1.954 -23.540 -15.813 1.00 0.00 H new ATOM 0 HD22 ASN A 36 1.444 -22.531 -14.456 1.00 0.00 H new TER 526 ASN A 36