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 Set 1.1: A 26 HIS : no HD1:sc=-0.00879 X(o=-0.0088,f=-0.28) USER MOD Set 1.2: A 32 MET CE :methyl -173:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) 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 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot -150: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 -72:sc= 0.477 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot -170:sc= 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 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.388 14.338 1.251 1.00 0.00 N ATOM 2 CA MET A 1 -11.089 15.262 0.317 1.00 0.00 C ATOM 3 C MET A 1 -11.700 16.542 0.927 1.00 0.00 C ATOM 4 O MET A 1 -12.043 17.405 0.112 1.00 0.00 O ATOM 5 CB MET A 1 -11.916 14.425 -0.684 1.00 0.00 C ATOM 6 CG MET A 1 -13.200 13.644 -0.419 1.00 0.00 C ATOM 7 SD MET A 1 -13.942 12.857 -1.868 1.00 0.00 S ATOM 8 CE MET A 1 -15.334 13.930 -2.222 1.00 0.00 C ATOM 0 H1 MET A 1 -10.024 13.520 0.722 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.596 14.837 1.704 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.054 14.010 1.980 1.00 0.00 H new ATOM 0 HA MET A 1 -10.352 15.796 -0.283 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.163 15.112 -1.493 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.217 13.694 -1.089 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.990 12.874 0.324 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.933 14.321 0.021 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.872 13.553 -3.092 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.004 13.952 -1.363 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.974 14.938 -2.427 1.00 0.00 H new ATOM 18 N ILE A 2 -11.360 16.885 2.186 1.00 0.00 N ATOM 19 CA ILE A 2 -12.046 17.759 3.164 1.00 0.00 C ATOM 20 C ILE A 2 -11.156 18.879 3.751 1.00 0.00 C ATOM 21 O ILE A 2 -9.935 18.767 3.617 1.00 0.00 O ATOM 22 CB ILE A 2 -12.953 17.069 4.230 1.00 0.00 C ATOM 23 CG1 ILE A 2 -12.429 15.934 5.133 1.00 0.00 C ATOM 24 CG2 ILE A 2 -14.283 16.646 3.613 1.00 0.00 C ATOM 25 CD1 ILE A 2 -12.310 16.116 6.636 1.00 0.00 C ATOM 0 H ILE A 2 -10.500 16.514 2.589 1.00 0.00 H new ATOM 0 HA ILE A 2 -12.777 18.251 2.522 1.00 0.00 H new ATOM 0 HB ILE A 2 -13.024 17.886 4.948 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -13.074 15.071 4.967 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -11.438 15.666 4.765 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -14.901 16.167 4.373 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -14.800 17.524 3.226 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -14.100 15.944 2.799 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -11.922 15.201 7.084 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -11.631 16.941 6.850 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -13.292 16.337 7.055 1.00 0.00 H new ATOM 36 N SER A 3 -11.682 19.982 4.320 1.00 0.00 N ATOM 37 CA SER A 3 -10.990 21.041 5.079 1.00 0.00 C ATOM 38 C SER A 3 -10.367 20.653 6.428 1.00 0.00 C ATOM 39 O SER A 3 -11.081 20.214 7.336 1.00 0.00 O ATOM 40 CB SER A 3 -11.753 22.376 5.152 1.00 0.00 C ATOM 41 OG SER A 3 -11.708 23.116 3.941 1.00 0.00 O ATOM 0 H SER A 3 -12.682 20.170 4.255 1.00 0.00 H new ATOM 0 HA SER A 3 -10.122 21.201 4.440 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.793 22.178 5.410 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.335 22.982 5.956 1.00 0.00 H new ATOM 0 HG SER A 3 -12.210 23.951 4.049 1.00 0.00 H new ATOM 46 N ASP A 4 -9.118 20.232 6.187 1.00 0.00 N ATOM 47 CA ASP A 4 -7.951 19.954 7.040 1.00 0.00 C ATOM 48 C ASP A 4 -6.676 20.698 6.560 1.00 0.00 C ATOM 49 O ASP A 4 -6.849 21.754 5.946 1.00 0.00 O ATOM 50 CB ASP A 4 -7.752 18.428 7.159 1.00 0.00 C ATOM 51 CG ASP A 4 -8.628 17.521 8.019 1.00 0.00 C ATOM 52 OD1 ASP A 4 -9.543 17.937 8.764 1.00 0.00 O ATOM 53 OD2 ASP A 4 -8.434 16.292 7.893 1.00 0.00 O ATOM 0 H ASP A 4 -8.861 20.047 5.217 1.00 0.00 H new ATOM 0 HA ASP A 4 -8.145 20.348 8.038 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -7.807 18.033 6.145 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -6.729 18.280 7.503 1.00 0.00 H new ATOM 57 N GLU A 5 -5.501 20.514 7.199 1.00 0.00 N ATOM 58 CA GLU A 5 -4.077 20.565 6.790 1.00 0.00 C ATOM 59 C GLU A 5 -3.538 19.910 5.498 1.00 0.00 C ATOM 60 O GLU A 5 -4.192 19.010 4.968 1.00 0.00 O ATOM 61 CB GLU A 5 -3.282 20.020 7.995 1.00 0.00 C ATOM 62 CG GLU A 5 -2.677 21.005 8.994 1.00 0.00 C ATOM 63 CD GLU A 5 -1.986 20.481 10.244 1.00 0.00 C ATOM 64 OE1 GLU A 5 -2.654 20.252 11.275 1.00 0.00 O ATOM 65 OE2 GLU A 5 -0.749 20.638 10.320 1.00 0.00 O ATOM 0 H GLU A 5 -5.540 20.285 8.192 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.953 21.610 6.506 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -3.942 19.354 8.550 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -2.469 19.409 7.603 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -1.953 21.614 8.453 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -3.476 21.672 9.319 1.00 0.00 H new ATOM 70 N GLN A 6 -2.521 20.546 4.881 1.00 0.00 N ATOM 71 CA GLN A 6 -1.629 20.259 3.735 1.00 0.00 C ATOM 72 C GLN A 6 -0.852 18.926 3.631 1.00 0.00 C ATOM 73 O GLN A 6 -0.653 18.499 2.489 1.00 0.00 O ATOM 74 CB GLN A 6 -0.877 21.619 3.564 1.00 0.00 C ATOM 75 CG GLN A 6 0.378 22.067 4.324 1.00 0.00 C ATOM 76 CD GLN A 6 1.470 23.008 3.813 1.00 0.00 C ATOM 77 OE1 GLN A 6 1.820 23.140 2.639 1.00 0.00 O ATOM 78 NE2 GLN A 6 2.378 23.257 4.752 1.00 0.00 N ATOM 0 H GLN A 6 -2.258 21.457 5.256 1.00 0.00 H new ATOM 0 HA GLN A 6 -2.192 19.960 2.851 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -0.615 21.678 2.507 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -1.623 22.391 3.751 1.00 0.00 H new ATOM 0 HG2 GLN A 6 0.013 22.519 5.246 1.00 0.00 H new ATOM 0 HG3 GLN A 6 0.893 21.147 4.602 1.00 0.00 H new ATOM 0 HE21 GLN A 6 2.132 23.161 5.737 1.00 0.00 H new ATOM 0 HE22 GLN A 6 3.320 23.544 4.487 1.00 0.00 H new ATOM 85 N LEU A 7 -0.789 18.157 4.730 1.00 0.00 N ATOM 86 CA LEU A 7 -0.551 16.730 5.026 1.00 0.00 C ATOM 87 C LEU A 7 -1.301 15.619 4.244 1.00 0.00 C ATOM 88 O LEU A 7 -1.371 14.461 4.674 1.00 0.00 O ATOM 89 CB LEU A 7 -0.687 16.631 6.560 1.00 0.00 C ATOM 90 CG LEU A 7 0.233 17.200 7.664 1.00 0.00 C ATOM 91 CD1 LEU A 7 1.544 16.458 7.878 1.00 0.00 C ATOM 92 CD2 LEU A 7 0.502 18.697 7.805 1.00 0.00 C ATOM 0 H LEU A 7 -0.937 18.631 5.621 1.00 0.00 H new ATOM 0 HA LEU A 7 0.435 16.479 4.636 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.671 17.045 6.778 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -0.738 15.562 6.765 1.00 0.00 H new ATOM 0 HG LEU A 7 -0.492 16.997 8.452 1.00 0.00 H new ATOM 0 HD11 LEU A 7 2.110 16.942 8.674 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.336 15.425 8.157 1.00 0.00 H new ATOM 0 HD13 LEU A 7 2.126 16.475 6.957 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.175 18.868 8.646 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.961 19.072 6.890 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.438 19.221 7.980 1.00 0.00 H new ATOM 103 N ASN A 8 -2.033 16.007 3.192 1.00 0.00 N ATOM 104 CA ASN A 8 -2.296 15.433 1.858 1.00 0.00 C ATOM 105 C ASN A 8 -1.101 15.250 0.897 1.00 0.00 C ATOM 106 O ASN A 8 -1.207 14.457 -0.047 1.00 0.00 O ATOM 107 CB ASN A 8 -3.454 16.291 1.308 1.00 0.00 C ATOM 108 CG ASN A 8 -4.493 15.618 0.408 1.00 0.00 C ATOM 109 OD1 ASN A 8 -5.443 14.967 0.853 1.00 0.00 O ATOM 110 ND2 ASN A 8 -4.394 15.811 -0.904 1.00 0.00 N ATOM 0 H ASN A 8 -2.544 16.886 3.272 1.00 0.00 H new ATOM 0 HA ASN A 8 -2.553 14.378 1.954 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -3.981 16.722 2.159 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -3.018 17.119 0.750 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -5.099 15.423 -1.531 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -3.614 16.347 -1.283 1.00 0.00 H new ATOM 116 N SER A 9 0.018 15.957 1.116 1.00 0.00 N ATOM 117 CA SER A 9 1.407 15.679 0.715 1.00 0.00 C ATOM 118 C SER A 9 2.131 14.465 1.302 1.00 0.00 C ATOM 119 O SER A 9 3.034 14.003 0.598 1.00 0.00 O ATOM 120 CB SER A 9 2.317 16.889 0.944 1.00 0.00 C ATOM 121 OG SER A 9 2.717 17.644 -0.185 1.00 0.00 O ATOM 0 H SER A 9 -0.033 16.833 1.635 1.00 0.00 H new ATOM 0 HA SER A 9 1.245 15.437 -0.335 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.809 17.563 1.633 1.00 0.00 H new ATOM 0 HB3 SER A 9 3.218 16.538 1.447 1.00 0.00 H new ATOM 0 HG SER A 9 3.291 18.384 0.103 1.00 0.00 H new ATOM 126 N LEU A 10 1.579 13.874 2.375 1.00 0.00 N ATOM 127 CA LEU A 10 1.614 12.474 2.799 1.00 0.00 C ATOM 128 C LEU A 10 0.770 11.504 1.956 1.00 0.00 C ATOM 129 O LEU A 10 1.430 10.591 1.466 1.00 0.00 O ATOM 130 CB LEU A 10 1.481 12.425 4.328 1.00 0.00 C ATOM 131 CG LEU A 10 1.170 11.194 5.201 1.00 0.00 C ATOM 132 CD1 LEU A 10 2.105 10.979 6.389 1.00 0.00 C ATOM 133 CD2 LEU A 10 -0.269 11.300 5.678 1.00 0.00 C ATOM 0 H LEU A 10 1.039 14.432 3.036 1.00 0.00 H new ATOM 0 HA LEU A 10 2.587 12.040 2.566 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.423 12.818 4.711 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.708 13.154 4.573 1.00 0.00 H new ATOM 0 HG LEU A 10 1.329 10.320 4.570 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.799 10.088 6.936 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.126 10.851 6.030 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.058 11.844 7.050 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.511 10.437 6.299 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -0.393 12.213 6.261 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.937 11.326 4.817 1.00 0.00 H new ATOM 144 N ALA A 11 -0.507 11.711 1.603 1.00 0.00 N ATOM 145 CA ALA A 11 -1.387 10.803 0.851 1.00 0.00 C ATOM 146 C ALA A 11 -1.073 10.404 -0.603 1.00 0.00 C ATOM 147 O ALA A 11 -1.539 9.345 -1.040 1.00 0.00 O ATOM 148 CB ALA A 11 -2.758 11.443 0.899 1.00 0.00 C ATOM 0 H ALA A 11 -0.986 12.577 1.852 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.259 9.840 1.346 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.470 10.820 0.357 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -3.078 11.541 1.936 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -2.715 12.430 0.438 1.00 0.00 H new ATOM 154 N ILE A 12 0.051 10.977 -1.048 1.00 0.00 N ATOM 155 CA ILE A 12 0.845 10.813 -2.276 1.00 0.00 C ATOM 156 C ILE A 12 2.213 10.184 -1.926 1.00 0.00 C ATOM 157 O ILE A 12 2.425 9.108 -2.491 1.00 0.00 O ATOM 158 CB ILE A 12 0.771 12.074 -3.202 1.00 0.00 C ATOM 159 CG1 ILE A 12 -0.368 12.300 -4.221 1.00 0.00 C ATOM 160 CG2 ILE A 12 1.996 12.539 -3.993 1.00 0.00 C ATOM 161 CD1 ILE A 12 -1.739 12.810 -3.824 1.00 0.00 C ATOM 0 H ILE A 12 0.496 11.680 -0.458 1.00 0.00 H new ATOM 0 HA ILE A 12 0.414 10.077 -2.955 1.00 0.00 H new ATOM 0 HB ILE A 12 0.597 12.632 -2.282 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.017 12.995 -4.967 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.526 11.347 -4.725 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.740 13.427 -4.572 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.806 12.777 -3.303 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.316 11.745 -4.668 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.369 12.888 -4.710 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.194 12.118 -3.115 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.642 13.792 -3.361 1.00 0.00 H new ATOM 172 N THR A 13 2.972 10.622 -0.898 1.00 0.00 N ATOM 173 CA THR A 13 4.271 10.177 -0.355 1.00 0.00 C ATOM 174 C THR A 13 4.356 8.740 0.184 1.00 0.00 C ATOM 175 O THR A 13 4.841 7.910 -0.586 1.00 0.00 O ATOM 176 CB THR A 13 4.943 11.377 0.380 1.00 0.00 C ATOM 177 OG1 THR A 13 6.185 11.716 -0.256 1.00 0.00 O ATOM 178 CG2 THR A 13 5.105 11.781 1.852 1.00 0.00 C ATOM 0 H THR A 13 2.634 11.414 -0.351 1.00 0.00 H new ATOM 0 HA THR A 13 4.967 9.936 -1.159 1.00 0.00 H new ATOM 0 HB THR A 13 3.971 11.864 0.299 1.00 0.00 H new ATOM 0 HG1 THR A 13 6.802 12.087 0.409 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.657 12.719 1.913 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.122 11.909 2.305 1.00 0.00 H new ATOM 0 HG23 THR A 13 5.651 11.003 2.385 1.00 0.00 H new ATOM 186 N PHE A 14 3.562 8.487 1.229 1.00 0.00 N ATOM 187 CA PHE A 14 2.844 7.353 1.829 1.00 0.00 C ATOM 188 C PHE A 14 1.990 6.415 0.975 1.00 0.00 C ATOM 189 O PHE A 14 2.124 5.203 1.166 1.00 0.00 O ATOM 190 CB PHE A 14 2.277 7.889 3.163 1.00 0.00 C ATOM 191 CG PHE A 14 0.905 7.594 3.725 1.00 0.00 C ATOM 192 CD1 PHE A 14 -0.186 8.146 3.073 1.00 0.00 C ATOM 193 CD2 PHE A 14 0.661 6.651 4.718 1.00 0.00 C ATOM 194 CE1 PHE A 14 -1.458 7.642 3.277 1.00 0.00 C ATOM 195 CE2 PHE A 14 -0.614 6.155 4.947 1.00 0.00 C ATOM 196 CZ PHE A 14 -1.678 6.627 4.195 1.00 0.00 C ATOM 0 H PHE A 14 3.363 9.293 1.822 1.00 0.00 H new ATOM 0 HA PHE A 14 3.549 6.539 1.996 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.984 7.575 3.931 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.341 8.975 3.095 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.042 8.978 2.399 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.482 6.297 5.324 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.288 8.044 2.715 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -0.777 5.405 5.707 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.666 6.209 4.323 1.00 0.00 H new ATOM 205 N GLY A 15 1.424 7.002 -0.080 1.00 0.00 N ATOM 206 CA GLY A 15 0.385 6.491 -0.963 1.00 0.00 C ATOM 207 C GLY A 15 0.797 5.745 -2.224 1.00 0.00 C ATOM 208 O GLY A 15 -0.101 5.067 -2.728 1.00 0.00 O ATOM 0 H GLY A 15 1.713 7.939 -0.362 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -0.248 5.825 -0.377 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -0.235 7.335 -1.266 1.00 0.00 H new ATOM 212 N ILE A 16 1.953 6.100 -2.800 1.00 0.00 N ATOM 213 CA ILE A 16 2.886 5.293 -3.599 1.00 0.00 C ATOM 214 C ILE A 16 3.545 4.067 -2.924 1.00 0.00 C ATOM 215 O ILE A 16 3.453 3.029 -3.598 1.00 0.00 O ATOM 216 CB ILE A 16 3.606 6.280 -4.559 1.00 0.00 C ATOM 217 CG1 ILE A 16 3.606 6.144 -6.084 1.00 0.00 C ATOM 218 CG2 ILE A 16 5.017 6.647 -4.186 1.00 0.00 C ATOM 219 CD1 ILE A 16 2.364 6.424 -6.893 1.00 0.00 C ATOM 0 H ILE A 16 2.293 7.057 -2.709 1.00 0.00 H new ATOM 0 HA ILE A 16 2.417 4.571 -4.267 1.00 0.00 H new ATOM 0 HB ILE A 16 2.854 7.041 -4.352 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.388 6.803 -6.462 1.00 0.00 H new ATOM 0 HG13 ILE A 16 3.911 5.123 -6.313 1.00 0.00 H new ATOM 0 HG21 ILE A 16 5.420 7.340 -4.925 1.00 0.00 H new ATOM 0 HG22 ILE A 16 5.022 7.120 -3.204 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.632 5.747 -4.159 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.576 6.269 -7.951 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.567 5.750 -6.581 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.050 7.456 -6.733 1.00 0.00 H new ATOM 230 N VAL A 17 3.802 4.097 -1.592 1.00 0.00 N ATOM 231 CA VAL A 17 4.283 3.072 -0.653 1.00 0.00 C ATOM 232 C VAL A 17 3.193 2.110 -0.140 1.00 0.00 C ATOM 233 O VAL A 17 3.540 0.925 -0.032 1.00 0.00 O ATOM 234 CB VAL A 17 5.180 3.561 0.521 1.00 0.00 C ATOM 235 CG1 VAL A 17 6.580 2.969 0.533 1.00 0.00 C ATOM 236 CG2 VAL A 17 5.651 4.999 0.472 1.00 0.00 C ATOM 0 H VAL A 17 3.652 4.971 -1.089 1.00 0.00 H new ATOM 0 HA VAL A 17 4.949 2.509 -1.306 1.00 0.00 H new ATOM 0 HB VAL A 17 4.498 3.305 1.331 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.135 3.364 1.384 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.516 1.884 0.614 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.095 3.234 -0.391 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.266 5.210 1.347 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.239 5.159 -0.432 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.788 5.665 0.466 1.00 0.00 H new ATOM 246 N MET A 18 1.942 2.583 0.085 1.00 0.00 N ATOM 247 CA MET A 18 0.695 1.805 0.153 1.00 0.00 C ATOM 248 C MET A 18 0.130 1.224 -1.159 1.00 0.00 C ATOM 249 O MET A 18 -0.133 0.023 -1.066 1.00 0.00 O ATOM 250 CB MET A 18 -0.315 2.609 0.989 1.00 0.00 C ATOM 251 CG MET A 18 -0.717 2.103 2.375 1.00 0.00 C ATOM 252 SD MET A 18 -1.852 3.050 3.420 1.00 0.00 S ATOM 253 CE MET A 18 -3.504 3.150 2.722 1.00 0.00 C ATOM 0 H MET A 18 1.775 3.578 0.232 1.00 0.00 H new ATOM 0 HA MET A 18 0.940 0.864 0.646 1.00 0.00 H new ATOM 0 HB2 MET A 18 0.090 3.614 1.113 1.00 0.00 H new ATOM 0 HB3 MET A 18 -1.226 2.703 0.399 1.00 0.00 H new ATOM 0 HG2 MET A 18 -1.157 1.115 2.239 1.00 0.00 H new ATOM 0 HG3 MET A 18 0.203 1.967 2.944 1.00 0.00 H new ATOM 0 HE1 MET A 18 -4.146 3.728 3.387 1.00 0.00 H new ATOM 0 HE2 MET A 18 -3.459 3.637 1.748 1.00 0.00 H new ATOM 0 HE3 MET A 18 -3.912 2.146 2.607 1.00 0.00 H new ATOM 261 N MET A 19 0.319 1.822 -2.352 1.00 0.00 N ATOM 262 CA MET A 19 0.028 1.324 -3.701 1.00 0.00 C ATOM 263 C MET A 19 0.958 0.202 -4.182 1.00 0.00 C ATOM 264 O MET A 19 0.353 -0.833 -4.474 1.00 0.00 O ATOM 265 CB MET A 19 -0.140 2.536 -4.652 1.00 0.00 C ATOM 266 CG MET A 19 -0.818 2.550 -6.021 1.00 0.00 C ATOM 267 SD MET A 19 -2.584 2.183 -6.106 1.00 0.00 S ATOM 268 CE MET A 19 -2.790 1.990 -7.876 1.00 0.00 C ATOM 0 H MET A 19 0.720 2.759 -2.393 1.00 0.00 H new ATOM 0 HA MET A 19 -0.923 0.791 -3.691 1.00 0.00 H new ATOM 0 HB2 MET A 19 -0.661 3.293 -4.065 1.00 0.00 H new ATOM 0 HB3 MET A 19 0.870 2.907 -4.827 1.00 0.00 H new ATOM 0 HG2 MET A 19 -0.662 3.536 -6.459 1.00 0.00 H new ATOM 0 HG3 MET A 19 -0.299 1.833 -6.657 1.00 0.00 H new ATOM 0 HE1 MET A 19 -3.832 1.759 -8.098 1.00 0.00 H new ATOM 0 HE2 MET A 19 -2.509 2.916 -8.378 1.00 0.00 H new ATOM 0 HE3 MET A 19 -2.155 1.178 -8.230 1.00 0.00 H new ATOM 276 N THR A 20 2.221 0.186 -3.726 1.00 0.00 N ATOM 277 CA THR A 20 3.257 -0.812 -3.985 1.00 0.00 C ATOM 278 C THR A 20 3.205 -2.082 -3.124 1.00 0.00 C ATOM 279 O THR A 20 3.292 -3.121 -3.776 1.00 0.00 O ATOM 280 CB THR A 20 4.702 -0.260 -3.999 1.00 0.00 C ATOM 281 OG1 THR A 20 5.073 0.659 -2.958 1.00 0.00 O ATOM 282 CG2 THR A 20 5.187 0.330 -5.324 1.00 0.00 C ATOM 0 H THR A 20 2.565 0.931 -3.120 1.00 0.00 H new ATOM 0 HA THR A 20 2.990 -1.108 -5.000 1.00 0.00 H new ATOM 0 HB THR A 20 5.210 -1.206 -3.811 1.00 0.00 H new ATOM 0 HG1 THR A 20 4.634 1.522 -3.111 1.00 0.00 H new ATOM 0 HG21 THR A 20 6.212 0.684 -5.211 1.00 0.00 H new ATOM 0 HG22 THR A 20 5.151 -0.436 -6.098 1.00 0.00 H new ATOM 0 HG23 THR A 20 4.545 1.163 -5.608 1.00 0.00 H new ATOM 290 N LEU A 21 2.711 -2.011 -1.880 1.00 0.00 N ATOM 291 CA LEU A 21 2.168 -3.044 -0.981 1.00 0.00 C ATOM 292 C LEU A 21 0.761 -3.594 -1.288 1.00 0.00 C ATOM 293 O LEU A 21 0.743 -4.825 -1.234 1.00 0.00 O ATOM 294 CB LEU A 21 2.362 -2.747 0.519 1.00 0.00 C ATOM 295 CG LEU A 21 3.576 -3.239 1.323 1.00 0.00 C ATOM 296 CD1 LEU A 21 3.520 -2.521 2.661 1.00 0.00 C ATOM 297 CD2 LEU A 21 3.603 -4.703 1.736 1.00 0.00 C ATOM 0 H LEU A 21 2.678 -1.103 -1.417 1.00 0.00 H new ATOM 0 HA LEU A 21 2.819 -3.880 -1.236 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.341 -1.662 0.624 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.478 -3.133 1.027 1.00 0.00 H new ATOM 0 HG LEU A 21 4.425 -3.061 0.663 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.363 -2.833 3.277 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.569 -1.444 2.498 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.588 -2.769 3.169 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.516 -4.906 2.295 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.738 -4.920 2.362 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.575 -5.333 0.847 1.00 0.00 H new ATOM 308 N ILE A 22 -0.219 -2.879 -1.878 1.00 0.00 N ATOM 309 CA ILE A 22 -1.551 -3.309 -2.353 1.00 0.00 C ATOM 310 C ILE A 22 -1.627 -4.162 -3.628 1.00 0.00 C ATOM 311 O ILE A 22 -2.287 -5.204 -3.616 1.00 0.00 O ATOM 312 CB ILE A 22 -2.703 -2.297 -2.194 1.00 0.00 C ATOM 313 CG1 ILE A 22 -4.145 -2.748 -2.383 1.00 0.00 C ATOM 314 CG2 ILE A 22 -2.609 -0.922 -2.784 1.00 0.00 C ATOM 315 CD1 ILE A 22 -4.951 -3.251 -1.210 1.00 0.00 C ATOM 0 H ILE A 22 -0.083 -1.883 -2.051 1.00 0.00 H new ATOM 0 HA ILE A 22 -1.749 -4.054 -1.582 1.00 0.00 H new ATOM 0 HB ILE A 22 -2.468 -2.236 -1.131 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.691 -1.908 -2.812 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.139 -3.540 -3.132 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -3.520 -0.367 -2.561 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -1.753 -0.400 -2.356 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.485 -0.997 -3.864 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.951 -3.524 -1.546 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.462 -4.125 -0.780 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.023 -2.468 -0.455 1.00 0.00 H new ATOM 326 N VAL A 23 -0.848 -3.727 -4.627 1.00 0.00 N ATOM 327 CA VAL A 23 -0.474 -4.248 -5.935 1.00 0.00 C ATOM 328 C VAL A 23 0.568 -5.375 -5.778 1.00 0.00 C ATOM 329 O VAL A 23 0.510 -6.284 -6.612 1.00 0.00 O ATOM 330 CB VAL A 23 -0.069 -2.997 -6.753 1.00 0.00 C ATOM 331 CG1 VAL A 23 0.331 -3.408 -8.163 1.00 0.00 C ATOM 332 CG2 VAL A 23 -1.107 -1.960 -7.175 1.00 0.00 C ATOM 0 H VAL A 23 -0.383 -2.828 -4.498 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.267 -4.755 -6.485 1.00 0.00 H new ATOM 0 HB VAL A 23 0.645 -2.578 -6.044 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.615 -2.523 -8.733 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.175 -4.096 -8.116 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.510 -3.900 -8.651 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.619 -1.165 -7.738 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.863 -2.435 -7.800 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.581 -1.539 -6.289 1.00 0.00 H new ATOM 342 N ILE A 24 1.266 -5.445 -4.624 1.00 0.00 N ATOM 343 CA ILE A 24 2.035 -6.571 -4.084 1.00 0.00 C ATOM 344 C ILE A 24 1.342 -7.683 -3.270 1.00 0.00 C ATOM 345 O ILE A 24 1.509 -8.855 -3.624 1.00 0.00 O ATOM 346 CB ILE A 24 3.499 -6.110 -3.832 1.00 0.00 C ATOM 347 CG1 ILE A 24 4.667 -6.378 -4.792 1.00 0.00 C ATOM 348 CG2 ILE A 24 4.069 -6.383 -2.458 1.00 0.00 C ATOM 349 CD1 ILE A 24 4.731 -5.517 -6.025 1.00 0.00 C ATOM 0 H ILE A 24 1.305 -4.641 -3.997 1.00 0.00 H new ATOM 0 HA ILE A 24 2.110 -7.365 -4.827 1.00 0.00 H new ATOM 0 HB ILE A 24 3.189 -5.083 -4.023 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.599 -6.254 -4.240 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.619 -7.421 -5.106 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.094 -6.015 -2.410 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.465 -5.875 -1.706 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.059 -7.456 -2.267 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.597 -5.801 -6.622 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.824 -5.655 -6.613 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.818 -4.470 -5.734 1.00 0.00 H new ATOM 360 N TYR A 25 0.355 -7.263 -2.470 1.00 0.00 N ATOM 361 CA TYR A 25 -0.747 -7.957 -1.775 1.00 0.00 C ATOM 362 C TYR A 25 -1.743 -8.728 -2.665 1.00 0.00 C ATOM 363 O TYR A 25 -1.678 -9.944 -2.483 1.00 0.00 O ATOM 364 CB TYR A 25 -1.198 -7.142 -0.544 1.00 0.00 C ATOM 365 CG TYR A 25 -0.588 -7.319 0.851 1.00 0.00 C ATOM 366 CD1 TYR A 25 0.752 -7.561 1.174 1.00 0.00 C ATOM 367 CD2 TYR A 25 -1.412 -7.038 1.944 1.00 0.00 C ATOM 368 CE1 TYR A 25 1.184 -7.629 2.499 1.00 0.00 C ATOM 369 CE2 TYR A 25 -0.987 -7.050 3.264 1.00 0.00 C ATOM 370 CZ TYR A 25 0.325 -7.366 3.557 1.00 0.00 C ATOM 371 OH TYR A 25 0.688 -7.562 4.875 1.00 0.00 O ATOM 0 H TYR A 25 0.301 -6.266 -2.260 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.393 -8.878 -1.312 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -1.069 -6.092 -0.806 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -2.269 -7.314 -0.436 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.469 -7.698 0.378 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.446 -6.796 1.748 1.00 0.00 H new ATOM 0 HE1 TYR A 25 2.211 -7.892 2.706 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -1.679 -6.813 4.059 1.00 0.00 H new ATOM 0 HH TYR A 25 -0.059 -7.316 5.460 1.00 0.00 H new ATOM 380 N HIS A 26 -1.978 -8.243 -3.895 1.00 0.00 N ATOM 381 CA HIS A 26 -2.542 -8.902 -5.081 1.00 0.00 C ATOM 382 C HIS A 26 -1.743 -9.965 -5.851 1.00 0.00 C ATOM 383 O HIS A 26 -2.387 -10.854 -6.419 1.00 0.00 O ATOM 384 CB HIS A 26 -3.129 -7.754 -5.930 1.00 0.00 C ATOM 385 CG HIS A 26 -3.976 -7.804 -7.172 1.00 0.00 C ATOM 386 ND1 HIS A 26 -5.321 -8.070 -7.292 1.00 0.00 N ATOM 387 CD2 HIS A 26 -3.452 -8.002 -8.392 1.00 0.00 C ATOM 388 CE1 HIS A 26 -5.584 -8.523 -8.506 1.00 0.00 C ATOM 389 NE2 HIS A 26 -4.463 -8.477 -9.207 1.00 0.00 N ATOM 0 H HIS A 26 -1.751 -7.271 -4.104 1.00 0.00 H new ATOM 0 HA HIS A 26 -3.289 -9.616 -4.733 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -3.712 -7.162 -5.224 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -2.265 -7.153 -6.212 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -2.428 -7.823 -8.684 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -6.543 -8.869 -8.862 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -4.361 -8.747 -10.185 1.00 0.00 H new ATOM 397 N ALA A 27 -0.427 -10.011 -5.595 1.00 0.00 N ATOM 398 CA ALA A 27 0.551 -11.009 -6.046 1.00 0.00 C ATOM 399 C ALA A 27 0.929 -12.096 -5.025 1.00 0.00 C ATOM 400 O ALA A 27 1.147 -13.217 -5.493 1.00 0.00 O ATOM 401 CB ALA A 27 1.714 -10.215 -6.633 1.00 0.00 C ATOM 0 H ALA A 27 0.015 -9.293 -5.021 1.00 0.00 H new ATOM 0 HA ALA A 27 0.107 -11.650 -6.807 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.481 -10.903 -6.989 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.357 -9.608 -7.465 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.136 -9.567 -5.865 1.00 0.00 H new ATOM 407 N VAL A 28 0.636 -11.866 -3.734 1.00 0.00 N ATOM 408 CA VAL A 28 0.790 -12.714 -2.548 1.00 0.00 C ATOM 409 C VAL A 28 -0.498 -13.407 -2.060 1.00 0.00 C ATOM 410 O VAL A 28 -0.529 -14.626 -2.246 1.00 0.00 O ATOM 411 CB VAL A 28 1.776 -12.106 -1.506 1.00 0.00 C ATOM 412 CG1 VAL A 28 2.840 -11.137 -1.989 1.00 0.00 C ATOM 413 CG2 VAL A 28 1.501 -11.670 -0.072 1.00 0.00 C ATOM 0 H VAL A 28 0.235 -10.966 -3.469 1.00 0.00 H new ATOM 0 HA VAL A 28 1.323 -13.614 -2.854 1.00 0.00 H new ATOM 0 HB VAL A 28 2.000 -13.169 -1.415 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.442 -10.806 -1.143 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.480 -11.634 -2.718 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.363 -10.274 -2.453 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.419 -11.288 0.374 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.743 -10.887 -0.069 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.144 -12.523 0.506 1.00 0.00 H new ATOM 423 N ASP A 29 -1.587 -12.673 -1.767 1.00 0.00 N ATOM 424 CA ASP A 29 -2.930 -12.989 -1.247 1.00 0.00 C ATOM 425 C ASP A 29 -3.931 -13.604 -2.252 1.00 0.00 C ATOM 426 O ASP A 29 -4.458 -14.670 -1.921 1.00 0.00 O ATOM 427 CB ASP A 29 -3.384 -11.655 -0.620 1.00 0.00 C ATOM 428 CG ASP A 29 -4.291 -11.648 0.617 1.00 0.00 C ATOM 429 OD1 ASP A 29 -5.522 -11.818 0.481 1.00 0.00 O ATOM 430 OD2 ASP A 29 -3.864 -11.190 1.704 1.00 0.00 O ATOM 0 H ASP A 29 -1.529 -11.666 -1.918 1.00 0.00 H new ATOM 0 HA ASP A 29 -2.893 -13.809 -0.530 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -2.484 -11.097 -0.363 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -3.897 -11.091 -1.399 1.00 0.00 H new ATOM 434 N SER A 30 -4.074 -13.038 -3.466 1.00 0.00 N ATOM 435 CA SER A 30 -4.745 -13.460 -4.712 1.00 0.00 C ATOM 436 C SER A 30 -3.858 -14.209 -5.729 1.00 0.00 C ATOM 437 O SER A 30 -2.696 -13.824 -5.879 1.00 0.00 O ATOM 438 CB SER A 30 -5.424 -12.230 -5.333 1.00 0.00 C ATOM 439 OG SER A 30 -6.807 -12.363 -5.617 1.00 0.00 O ATOM 0 H SER A 30 -3.650 -12.123 -3.617 1.00 0.00 H new ATOM 0 HA SER A 30 -5.482 -14.215 -4.437 1.00 0.00 H new ATOM 0 HB2 SER A 30 -5.291 -11.386 -4.657 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.905 -11.981 -6.259 1.00 0.00 H new ATOM 0 HG SER A 30 -7.143 -11.529 -6.006 1.00 0.00 H new ATOM 444 N THR A 31 -4.399 -15.175 -6.496 1.00 0.00 N ATOM 445 CA THR A 31 -3.776 -16.329 -7.174 1.00 0.00 C ATOM 446 C THR A 31 -2.986 -15.943 -8.441 1.00 0.00 C ATOM 447 O THR A 31 -3.560 -15.537 -9.457 1.00 0.00 O ATOM 448 CB THR A 31 -4.835 -17.473 -7.259 1.00 0.00 C ATOM 449 OG1 THR A 31 -5.378 -17.755 -5.961 1.00 0.00 O ATOM 450 CG2 THR A 31 -4.517 -18.895 -7.718 1.00 0.00 C ATOM 0 H THR A 31 -5.403 -15.164 -6.677 1.00 0.00 H new ATOM 0 HA THR A 31 -2.955 -16.747 -6.592 1.00 0.00 H new ATOM 0 HB THR A 31 -5.437 -17.006 -8.039 1.00 0.00 H new ATOM 0 HG1 THR A 31 -5.918 -18.572 -6.003 1.00 0.00 H new ATOM 0 HG21 THR A 31 -5.424 -19.499 -7.688 1.00 0.00 H new ATOM 0 HG22 THR A 31 -4.131 -18.871 -8.737 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.768 -19.332 -7.057 1.00 0.00 H new ATOM 458 N MET A 32 -1.695 -15.731 -8.119 1.00 0.00 N ATOM 459 CA MET A 32 -0.509 -15.177 -8.803 1.00 0.00 C ATOM 460 C MET A 32 0.833 -15.773 -8.322 1.00 0.00 C ATOM 461 O MET A 32 0.819 -16.547 -7.362 1.00 0.00 O ATOM 462 CB MET A 32 -0.499 -13.638 -8.751 1.00 0.00 C ATOM 463 CG MET A 32 -1.025 -12.953 -10.003 1.00 0.00 C ATOM 464 SD MET A 32 -1.827 -11.354 -9.779 1.00 0.00 S ATOM 465 CE MET A 32 -3.471 -11.791 -10.342 1.00 0.00 C ATOM 0 H MET A 32 -1.409 -16.003 -7.178 1.00 0.00 H new ATOM 0 HA MET A 32 -0.602 -15.485 -9.845 1.00 0.00 H new ATOM 0 HB2 MET A 32 -1.096 -13.314 -7.899 1.00 0.00 H new ATOM 0 HB3 MET A 32 0.522 -13.301 -8.572 1.00 0.00 H new ATOM 0 HG2 MET A 32 -0.192 -12.821 -10.694 1.00 0.00 H new ATOM 0 HG3 MET A 32 -1.735 -13.625 -10.485 1.00 0.00 H new ATOM 0 HE1 MET A 32 -4.088 -10.894 -10.396 1.00 0.00 H new ATOM 0 HE2 MET A 32 -3.408 -12.247 -11.330 1.00 0.00 H new ATOM 0 HE3 MET A 32 -3.919 -12.498 -9.644 1.00 0.00 H new ATOM 473 N SER A 33 1.965 -15.499 -8.995 1.00 0.00 N ATOM 474 CA SER A 33 3.389 -15.827 -8.764 1.00 0.00 C ATOM 475 C SER A 33 4.043 -15.541 -7.390 1.00 0.00 C ATOM 476 O SER A 33 4.016 -14.356 -7.056 1.00 0.00 O ATOM 477 CB SER A 33 4.105 -15.282 -10.025 1.00 0.00 C ATOM 478 OG SER A 33 4.213 -13.876 -10.205 1.00 0.00 O ATOM 0 H SER A 33 1.889 -14.953 -9.853 1.00 0.00 H new ATOM 0 HA SER A 33 3.500 -16.905 -8.646 1.00 0.00 H new ATOM 0 HB2 SER A 33 5.115 -15.693 -10.033 1.00 0.00 H new ATOM 0 HB3 SER A 33 3.589 -15.686 -10.896 1.00 0.00 H new ATOM 0 HG SER A 33 4.689 -13.689 -11.041 1.00 0.00 H new ATOM 483 N PRO A 34 4.414 -16.481 -6.464 1.00 0.00 N ATOM 484 CA PRO A 34 4.934 -16.159 -5.106 1.00 0.00 C ATOM 485 C PRO A 34 6.396 -15.751 -4.822 1.00 0.00 C ATOM 486 O PRO A 34 7.313 -16.513 -5.146 1.00 0.00 O ATOM 487 CB PRO A 34 4.343 -17.230 -4.170 1.00 0.00 C ATOM 488 CG PRO A 34 3.817 -18.348 -5.003 1.00 0.00 C ATOM 489 CD PRO A 34 3.909 -17.874 -6.431 1.00 0.00 C ATOM 0 HA PRO A 34 4.597 -15.140 -4.917 1.00 0.00 H new ATOM 0 HB2 PRO A 34 5.106 -17.596 -3.483 1.00 0.00 H new ATOM 0 HB3 PRO A 34 3.546 -16.803 -3.562 1.00 0.00 H new ATOM 0 HG2 PRO A 34 4.402 -19.256 -4.854 1.00 0.00 H new ATOM 0 HG3 PRO A 34 2.787 -18.585 -4.735 1.00 0.00 H new ATOM 0 HD2 PRO A 34 4.574 -18.525 -6.998 1.00 0.00 H new ATOM 0 HD3 PRO A 34 2.929 -17.927 -6.906 1.00 0.00 H new ATOM 494 N LYS A 35 6.529 -14.421 -4.633 1.00 0.00 N ATOM 495 CA LYS A 35 7.668 -13.533 -4.294 1.00 0.00 C ATOM 496 C LYS A 35 7.298 -12.378 -3.334 1.00 0.00 C ATOM 497 O LYS A 35 6.143 -11.944 -3.307 1.00 0.00 O ATOM 498 CB LYS A 35 8.345 -12.950 -5.560 1.00 0.00 C ATOM 499 CG LYS A 35 9.831 -12.809 -5.938 1.00 0.00 C ATOM 500 CD LYS A 35 10.883 -13.856 -5.639 1.00 0.00 C ATOM 501 CE LYS A 35 12.166 -13.565 -6.403 1.00 0.00 C ATOM 502 NZ LYS A 35 12.684 -14.843 -6.958 1.00 0.00 N ATOM 0 H LYS A 35 5.692 -13.847 -4.733 1.00 0.00 H new ATOM 0 HA LYS A 35 8.371 -14.180 -3.770 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.911 -13.519 -6.383 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.952 -11.936 -5.632 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.857 -12.650 -7.016 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.178 -11.887 -5.471 1.00 0.00 H new ATOM 0 HD2 LYS A 35 11.088 -13.877 -4.569 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.508 -14.843 -5.911 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.976 -12.853 -7.206 1.00 0.00 H new ATOM 0 HE3 LYS A 35 12.905 -13.111 -5.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.563 -14.662 -7.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.877 -15.506 -6.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.976 -15.256 -7.598 1.00 0.00 H new ATOM 512 N ASN A 36 8.062 -12.228 -2.242 1.00 0.00 N ATOM 513 CA ASN A 36 8.730 -11.126 -1.531 1.00 0.00 C ATOM 514 C ASN A 36 8.344 -11.260 -0.051 1.00 0.00 C ATOM 515 O ASN A 36 9.212 -11.650 0.758 1.00 0.00 O ATOM 516 CB ASN A 36 8.761 -9.592 -1.741 1.00 0.00 C ATOM 517 CG ASN A 36 10.079 -8.972 -2.204 1.00 0.00 C ATOM 518 OD1 ASN A 36 11.039 -8.904 -1.430 1.00 0.00 O ATOM 519 ND2 ASN A 36 10.121 -8.251 -3.322 1.00 0.00 N ATOM 520 OXT ASN A 36 7.140 -11.217 0.293 1.00 0.00 O ATOM 0 H ASN A 36 8.267 -13.082 -1.724 1.00 0.00 H new ATOM 0 HA ASN A 36 9.684 -11.341 -2.012 1.00 0.00 H new ATOM 0 HB2 ASN A 36 7.994 -9.336 -2.472 1.00 0.00 H new ATOM 0 HB3 ASN A 36 8.477 -9.118 -0.802 1.00 0.00 H new ATOM 0 HD21 ASN A 36 10.931 -7.663 -3.520 1.00 0.00 H new ATOM 0 HD22 ASN A 36 9.343 -8.286 -3.981 1.00 0.00 H new TER 526 ASN A 36