USER MOD reduce.3.24.130724 H: found=0, std=0, add=287, rem=0, adj=8 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+ 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 -65:sc= 0.482 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc=-0.00686 X(o=-0.0069,f=-0.0069) 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 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 5:sc= 0.055 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 -1.878 22.571 16.047 1.00 0.00 N ATOM 2 CA MET A 1 -1.050 23.606 15.366 1.00 0.00 C ATOM 3 C MET A 1 -1.814 24.447 14.331 1.00 0.00 C ATOM 4 O MET A 1 -1.872 25.649 14.608 1.00 0.00 O ATOM 5 CB MET A 1 0.292 23.050 14.863 1.00 0.00 C ATOM 6 CG MET A 1 1.469 22.936 15.830 1.00 0.00 C ATOM 7 SD MET A 1 2.615 24.323 16.026 1.00 0.00 S ATOM 8 CE MET A 1 1.873 25.765 16.791 1.00 0.00 C ATOM 0 H1 MET A 1 -1.290 22.049 16.728 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.664 23.031 16.549 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.258 21.910 15.340 1.00 0.00 H new ATOM 0 HA MET A 1 -0.794 24.330 16.139 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.103 22.055 14.460 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.613 23.675 14.030 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.059 22.712 16.815 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.057 22.070 15.525 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.618 26.556 16.876 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.042 26.114 16.179 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.507 25.503 17.784 1.00 0.00 H new ATOM 18 N ILE A 2 -2.622 23.808 13.466 1.00 0.00 N ATOM 19 CA ILE A 2 -3.384 24.262 12.286 1.00 0.00 C ATOM 20 C ILE A 2 -4.845 23.774 12.395 1.00 0.00 C ATOM 21 O ILE A 2 -5.077 22.654 12.860 1.00 0.00 O ATOM 22 CB ILE A 2 -2.622 23.956 10.955 1.00 0.00 C ATOM 23 CG1 ILE A 2 -2.974 24.849 9.750 1.00 0.00 C ATOM 24 CG2 ILE A 2 -2.507 22.514 10.460 1.00 0.00 C ATOM 25 CD1 ILE A 2 -1.967 25.807 9.138 1.00 0.00 C ATOM 0 H ILE A 2 -2.778 22.809 13.600 1.00 0.00 H new ATOM 0 HA ILE A 2 -3.460 25.349 12.261 1.00 0.00 H new ATOM 0 HB ILE A 2 -1.638 24.214 11.347 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -3.301 24.184 8.951 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -3.838 25.446 10.042 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -1.947 22.494 9.525 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -1.988 21.913 11.207 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -3.504 22.105 10.295 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -2.428 26.334 8.302 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -1.647 26.528 9.890 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -1.102 25.247 8.782 1.00 0.00 H new ATOM 36 N SER A 3 -5.816 24.608 11.986 1.00 0.00 N ATOM 37 CA SER A 3 -7.266 24.394 11.844 1.00 0.00 C ATOM 38 C SER A 3 -7.727 23.650 10.576 1.00 0.00 C ATOM 39 O SER A 3 -8.443 22.669 10.796 1.00 0.00 O ATOM 40 CB SER A 3 -7.996 25.730 12.085 1.00 0.00 C ATOM 41 OG SER A 3 -9.368 25.704 12.449 1.00 0.00 O ATOM 0 H SER A 3 -5.574 25.561 11.715 1.00 0.00 H new ATOM 0 HA SER A 3 -7.552 23.679 12.615 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.457 26.264 12.868 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.907 26.323 11.175 1.00 0.00 H new ATOM 0 HG SER A 3 -9.692 26.621 12.569 1.00 0.00 H new ATOM 46 N ASP A 4 -7.075 23.855 9.418 1.00 0.00 N ATOM 47 CA ASP A 4 -7.228 23.217 8.098 1.00 0.00 C ATOM 48 C ASP A 4 -6.188 22.127 7.781 1.00 0.00 C ATOM 49 O ASP A 4 -4.983 22.338 7.955 1.00 0.00 O ATOM 50 CB ASP A 4 -7.306 24.253 6.957 1.00 0.00 C ATOM 51 CG ASP A 4 -8.572 25.042 6.659 1.00 0.00 C ATOM 52 OD1 ASP A 4 -8.881 25.995 7.407 1.00 0.00 O ATOM 53 OD2 ASP A 4 -9.015 24.999 5.489 1.00 0.00 O ATOM 0 H ASP A 4 -6.338 24.559 9.381 1.00 0.00 H new ATOM 0 HA ASP A 4 -8.184 22.697 8.163 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -6.519 24.984 7.144 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -7.042 23.728 6.039 1.00 0.00 H new ATOM 57 N GLU A 5 -6.713 20.950 7.401 1.00 0.00 N ATOM 58 CA GLU A 5 -6.054 19.649 7.217 1.00 0.00 C ATOM 59 C GLU A 5 -5.428 19.377 5.837 1.00 0.00 C ATOM 60 O GLU A 5 -6.130 19.383 4.822 1.00 0.00 O ATOM 61 CB GLU A 5 -6.831 18.497 7.894 1.00 0.00 C ATOM 62 CG GLU A 5 -8.180 17.882 7.500 1.00 0.00 C ATOM 63 CD GLU A 5 -9.462 18.141 8.283 1.00 0.00 C ATOM 64 OE1 GLU A 5 -9.850 17.274 9.097 1.00 0.00 O ATOM 65 OE2 GLU A 5 -10.282 18.940 7.782 1.00 0.00 O ATOM 0 H GLU A 5 -7.710 20.881 7.195 1.00 0.00 H new ATOM 0 HA GLU A 5 -5.126 19.712 7.785 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -6.134 17.659 7.905 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.961 18.817 8.928 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -8.375 18.191 6.473 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -8.037 16.802 7.486 1.00 0.00 H new ATOM 70 N GLN A 6 -4.094 19.540 5.869 1.00 0.00 N ATOM 71 CA GLN A 6 -3.041 19.463 4.839 1.00 0.00 C ATOM 72 C GLN A 6 -2.220 18.160 4.743 1.00 0.00 C ATOM 73 O GLN A 6 -1.925 17.852 3.586 1.00 0.00 O ATOM 74 CB GLN A 6 -2.335 20.852 4.893 1.00 0.00 C ATOM 75 CG GLN A 6 -0.843 21.193 5.022 1.00 0.00 C ATOM 76 CD GLN A 6 -0.243 22.599 5.166 1.00 0.00 C ATOM 77 OE1 GLN A 6 -0.772 23.565 5.724 1.00 0.00 O ATOM 78 NE2 GLN A 6 1.067 22.662 4.930 1.00 0.00 N ATOM 0 H GLN A 6 -3.662 19.765 6.765 1.00 0.00 H new ATOM 0 HA GLN A 6 -3.446 19.316 3.838 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -2.655 21.358 3.982 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -2.808 21.369 5.728 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -0.488 20.633 5.887 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -0.366 20.759 4.143 1.00 0.00 H new ATOM 0 HE21 GLN A 6 1.541 21.884 4.471 1.00 0.00 H new ATOM 0 HE22 GLN A 6 1.596 23.488 5.208 1.00 0.00 H new ATOM 85 N LEU A 7 -2.341 17.232 5.708 1.00 0.00 N ATOM 86 CA LEU A 7 -1.738 15.899 5.911 1.00 0.00 C ATOM 87 C LEU A 7 -2.120 14.753 4.937 1.00 0.00 C ATOM 88 O LEU A 7 -1.821 13.573 5.158 1.00 0.00 O ATOM 89 CB LEU A 7 -1.907 15.570 7.409 1.00 0.00 C ATOM 90 CG LEU A 7 -1.162 16.151 8.633 1.00 0.00 C ATOM 91 CD1 LEU A 7 0.294 15.757 8.827 1.00 0.00 C ATOM 92 CD2 LEU A 7 -1.315 17.612 9.040 1.00 0.00 C ATOM 0 H LEU A 7 -2.965 17.434 6.489 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.688 15.967 5.628 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -2.962 15.752 7.615 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.750 14.493 7.475 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.806 15.595 9.315 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.685 16.239 9.723 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.367 14.675 8.935 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.875 16.075 7.961 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.707 17.809 9.923 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.986 18.254 8.223 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -2.361 17.819 9.266 1.00 0.00 H new ATOM 103 N ASN A 8 -2.892 15.084 3.894 1.00 0.00 N ATOM 104 CA ASN A 8 -2.960 14.665 2.480 1.00 0.00 C ATOM 105 C ASN A 8 -1.689 14.718 1.604 1.00 0.00 C ATOM 106 O ASN A 8 -1.641 14.037 0.573 1.00 0.00 O ATOM 107 CB ASN A 8 -4.148 15.503 1.964 1.00 0.00 C ATOM 108 CG ASN A 8 -5.084 14.833 0.955 1.00 0.00 C ATOM 109 OD1 ASN A 8 -6.002 14.080 1.295 1.00 0.00 O ATOM 110 ND2 ASN A 8 -5.024 15.251 -0.307 1.00 0.00 N ATOM 0 H ASN A 8 -3.618 15.782 4.054 1.00 0.00 H new ATOM 0 HA ASN A 8 -3.084 13.584 2.410 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -4.742 15.813 2.823 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -3.750 16.409 1.507 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -5.730 14.949 -0.978 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -4.272 15.873 -0.603 1.00 0.00 H new ATOM 116 N SER A 9 -0.654 15.449 2.046 1.00 0.00 N ATOM 117 CA SER A 9 0.764 15.440 1.653 1.00 0.00 C ATOM 118 C SER A 9 1.616 14.249 2.128 1.00 0.00 C ATOM 119 O SER A 9 2.581 13.943 1.417 1.00 0.00 O ATOM 120 CB SER A 9 1.406 16.802 1.977 1.00 0.00 C ATOM 121 OG SER A 9 0.719 17.949 1.493 1.00 0.00 O ATOM 0 H SER A 9 -0.811 16.144 2.776 1.00 0.00 H new ATOM 0 HA SER A 9 0.755 15.280 0.575 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.498 16.889 3.060 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.417 16.810 1.569 1.00 0.00 H new ATOM 0 HG SER A 9 1.208 18.757 1.754 1.00 0.00 H new ATOM 126 N LEU A 10 1.099 13.444 3.076 1.00 0.00 N ATOM 127 CA LEU A 10 1.241 12.000 3.305 1.00 0.00 C ATOM 128 C LEU A 10 0.501 11.075 2.331 1.00 0.00 C ATOM 129 O LEU A 10 1.224 10.236 1.796 1.00 0.00 O ATOM 130 CB LEU A 10 1.118 11.730 4.814 1.00 0.00 C ATOM 131 CG LEU A 10 0.796 10.426 5.574 1.00 0.00 C ATOM 132 CD1 LEU A 10 1.592 10.264 6.866 1.00 0.00 C ATOM 133 CD2 LEU A 10 -0.685 10.358 5.905 1.00 0.00 C ATOM 0 H LEU A 10 0.494 13.849 3.790 1.00 0.00 H new ATOM 0 HA LEU A 10 2.245 11.689 3.015 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.072 12.057 5.227 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.363 12.438 5.156 1.00 0.00 H new ATOM 0 HG LEU A 10 1.082 9.614 4.905 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.316 9.326 7.348 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.658 10.254 6.638 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.372 11.095 7.536 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.896 9.433 6.441 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -0.958 11.209 6.529 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.265 10.384 4.983 1.00 0.00 H new ATOM 144 N ALA A 11 -0.765 11.290 1.950 1.00 0.00 N ATOM 145 CA ALA A 11 -1.555 10.487 1.007 1.00 0.00 C ATOM 146 C ALA A 11 -1.187 10.449 -0.487 1.00 0.00 C ATOM 147 O ALA A 11 -1.571 9.500 -1.180 1.00 0.00 O ATOM 148 CB ALA A 11 -2.994 10.936 1.148 1.00 0.00 C ATOM 0 H ALA A 11 -1.299 12.079 2.315 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.337 9.461 1.302 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.622 10.365 0.464 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -3.328 10.770 2.172 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.069 11.997 0.910 1.00 0.00 H new ATOM 154 N ILE A 12 -0.171 11.258 -0.803 1.00 0.00 N ATOM 155 CA ILE A 12 0.857 11.090 -1.845 1.00 0.00 C ATOM 156 C ILE A 12 2.159 10.402 -1.407 1.00 0.00 C ATOM 157 O ILE A 12 2.159 9.232 -1.788 1.00 0.00 O ATOM 158 CB ILE A 12 0.865 12.328 -2.787 1.00 0.00 C ATOM 159 CG1 ILE A 12 0.479 12.253 -4.286 1.00 0.00 C ATOM 160 CG2 ILE A 12 1.891 13.446 -2.649 1.00 0.00 C ATOM 161 CD1 ILE A 12 0.998 11.219 -5.269 1.00 0.00 C ATOM 0 H ILE A 12 -0.031 12.129 -0.291 1.00 0.00 H new ATOM 0 HA ILE A 12 0.586 10.281 -2.523 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.029 12.563 -2.209 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.608 12.171 -4.311 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.735 13.224 -4.710 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.707 14.205 -3.410 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.808 13.896 -1.660 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.893 13.038 -2.779 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.563 11.401 -6.252 1.00 0.00 H new ATOM 0 HD12 ILE A 12 2.084 11.291 -5.333 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.720 10.222 -4.929 1.00 0.00 H new ATOM 172 N THR A 13 2.931 10.843 -0.404 1.00 0.00 N ATOM 173 CA THR A 13 4.223 10.327 0.107 1.00 0.00 C ATOM 174 C THR A 13 4.397 8.826 0.412 1.00 0.00 C ATOM 175 O THR A 13 5.000 8.136 -0.412 1.00 0.00 O ATOM 176 CB THR A 13 4.848 11.414 1.031 1.00 0.00 C ATOM 177 OG1 THR A 13 6.160 11.772 0.575 1.00 0.00 O ATOM 178 CG2 THR A 13 4.856 11.620 2.548 1.00 0.00 C ATOM 0 H THR A 13 2.639 11.660 0.133 1.00 0.00 H new ATOM 0 HA THR A 13 4.899 10.190 -0.737 1.00 0.00 H new ATOM 0 HB THR A 13 3.923 11.973 0.889 1.00 0.00 H new ATOM 0 HG1 THR A 13 6.343 12.706 0.807 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.418 12.522 2.790 1.00 0.00 H new ATOM 0 HG22 THR A 13 3.832 11.723 2.907 1.00 0.00 H new ATOM 0 HG23 THR A 13 5.324 10.761 3.029 1.00 0.00 H new ATOM 186 N PHE A 14 3.545 8.374 1.334 1.00 0.00 N ATOM 187 CA PHE A 14 2.898 7.124 1.766 1.00 0.00 C ATOM 188 C PHE A 14 2.141 6.216 0.797 1.00 0.00 C ATOM 189 O PHE A 14 2.386 5.008 0.878 1.00 0.00 O ATOM 190 CB PHE A 14 2.273 7.461 3.137 1.00 0.00 C ATOM 191 CG PHE A 14 0.935 6.975 3.643 1.00 0.00 C ATOM 192 CD1 PHE A 14 -0.210 7.493 3.056 1.00 0.00 C ATOM 193 CD2 PHE A 14 0.804 5.878 4.487 1.00 0.00 C ATOM 194 CE1 PHE A 14 -1.401 6.798 3.144 1.00 0.00 C ATOM 195 CE2 PHE A 14 -0.394 5.188 4.590 1.00 0.00 C ATOM 196 CZ PHE A 14 -1.497 5.622 3.872 1.00 0.00 C ATOM 0 H PHE A 14 3.201 9.091 1.972 1.00 0.00 H new ATOM 0 HA PHE A 14 3.657 6.344 1.831 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.003 7.142 3.881 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.228 8.549 3.181 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.171 8.436 2.532 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.652 5.557 5.074 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.275 7.178 2.636 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -0.467 4.318 5.226 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.416 5.054 3.879 1.00 0.00 H new ATOM 205 N GLY A 15 1.586 6.842 -0.242 1.00 0.00 N ATOM 206 CA GLY A 15 0.555 6.360 -1.150 1.00 0.00 C ATOM 207 C GLY A 15 0.987 5.870 -2.525 1.00 0.00 C ATOM 208 O GLY A 15 0.104 5.231 -3.107 1.00 0.00 O ATOM 0 H GLY A 15 1.878 7.788 -0.488 1.00 0.00 H new ATOM 0 HA2 GLY A 15 0.029 5.544 -0.655 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -0.167 7.164 -1.293 1.00 0.00 H new ATOM 212 N ILE A 16 2.142 6.310 -3.059 1.00 0.00 N ATOM 213 CA ILE A 16 3.061 5.557 -3.895 1.00 0.00 C ATOM 214 C ILE A 16 3.751 4.317 -3.280 1.00 0.00 C ATOM 215 O ILE A 16 3.802 3.325 -4.023 1.00 0.00 O ATOM 216 CB ILE A 16 3.911 6.398 -4.882 1.00 0.00 C ATOM 217 CG1 ILE A 16 4.755 7.656 -4.610 1.00 0.00 C ATOM 218 CG2 ILE A 16 3.469 6.302 -6.340 1.00 0.00 C ATOM 219 CD1 ILE A 16 4.088 8.919 -4.156 1.00 0.00 C ATOM 0 H ILE A 16 2.468 7.264 -2.900 1.00 0.00 H new ATOM 0 HA ILE A 16 2.354 5.051 -4.553 1.00 0.00 H new ATOM 0 HB ILE A 16 4.729 5.799 -4.481 1.00 0.00 H new ATOM 0 HG12 ILE A 16 5.498 7.392 -3.857 1.00 0.00 H new ATOM 0 HG13 ILE A 16 5.298 7.887 -5.526 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.119 6.921 -6.959 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.532 5.266 -6.672 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.440 6.650 -6.432 1.00 0.00 H new ATOM 0 HD11 ILE A 16 4.839 9.697 -4.015 1.00 0.00 H new ATOM 0 HD12 ILE A 16 3.368 9.241 -4.909 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.571 8.739 -3.213 1.00 0.00 H new ATOM 230 N VAL A 17 4.025 4.284 -1.950 1.00 0.00 N ATOM 231 CA VAL A 17 4.470 3.190 -1.077 1.00 0.00 C ATOM 232 C VAL A 17 3.371 2.191 -0.661 1.00 0.00 C ATOM 233 O VAL A 17 3.708 1.001 -0.660 1.00 0.00 O ATOM 234 CB VAL A 17 5.336 3.605 0.150 1.00 0.00 C ATOM 235 CG1 VAL A 17 6.714 2.968 0.192 1.00 0.00 C ATOM 236 CG2 VAL A 17 5.845 5.031 0.198 1.00 0.00 C ATOM 0 H VAL A 17 3.922 5.140 -1.405 1.00 0.00 H new ATOM 0 HA VAL A 17 5.141 2.659 -1.752 1.00 0.00 H new ATOM 0 HB VAL A 17 4.611 3.336 0.918 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.247 3.312 1.078 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.612 1.883 0.228 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.273 3.251 -0.700 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.431 5.178 1.105 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.471 5.224 -0.674 1.00 0.00 H new ATOM 0 HG23 VAL A 17 5.000 5.719 0.197 1.00 0.00 H new ATOM 246 N MET A 18 2.117 2.630 -0.402 1.00 0.00 N ATOM 247 CA MET A 18 0.856 1.876 -0.358 1.00 0.00 C ATOM 248 C MET A 18 0.299 1.308 -1.672 1.00 0.00 C ATOM 249 O MET A 18 0.056 0.103 -1.597 1.00 0.00 O ATOM 250 CB MET A 18 -0.164 2.716 0.411 1.00 0.00 C ATOM 251 CG MET A 18 -0.511 2.389 1.866 1.00 0.00 C ATOM 252 SD MET A 18 -1.991 1.440 2.285 1.00 0.00 S ATOM 253 CE MET A 18 -1.634 -0.308 2.115 1.00 0.00 C ATOM 0 H MET A 18 1.955 3.617 -0.200 1.00 0.00 H new ATOM 0 HA MET A 18 1.087 0.944 0.157 1.00 0.00 H new ATOM 0 HB2 MET A 18 0.189 3.747 0.390 1.00 0.00 H new ATOM 0 HB3 MET A 18 -1.095 2.686 -0.155 1.00 0.00 H new ATOM 0 HG2 MET A 18 0.340 1.851 2.283 1.00 0.00 H new ATOM 0 HG3 MET A 18 -0.580 3.338 2.398 1.00 0.00 H new ATOM 0 HE1 MET A 18 -2.523 -0.887 2.366 1.00 0.00 H new ATOM 0 HE2 MET A 18 -1.341 -0.521 1.087 1.00 0.00 H new ATOM 0 HE3 MET A 18 -0.821 -0.580 2.788 1.00 0.00 H new ATOM 261 N MET A 19 0.497 1.943 -2.840 1.00 0.00 N ATOM 262 CA MET A 19 0.215 1.472 -4.196 1.00 0.00 C ATOM 263 C MET A 19 1.148 0.404 -4.776 1.00 0.00 C ATOM 264 O MET A 19 0.561 -0.555 -5.285 1.00 0.00 O ATOM 265 CB MET A 19 -0.010 2.667 -5.151 1.00 0.00 C ATOM 266 CG MET A 19 -1.413 3.224 -5.374 1.00 0.00 C ATOM 267 SD MET A 19 -1.585 4.776 -6.283 1.00 0.00 S ATOM 268 CE MET A 19 -3.367 4.956 -6.217 1.00 0.00 C ATOM 0 H MET A 19 0.894 2.882 -2.854 1.00 0.00 H new ATOM 0 HA MET A 19 -0.713 0.909 -4.098 1.00 0.00 H new ATOM 0 HB2 MET A 19 0.609 3.488 -4.791 1.00 0.00 H new ATOM 0 HB3 MET A 19 0.381 2.378 -6.127 1.00 0.00 H new ATOM 0 HG2 MET A 19 -1.992 2.465 -5.900 1.00 0.00 H new ATOM 0 HG3 MET A 19 -1.876 3.358 -4.397 1.00 0.00 H new ATOM 0 HE1 MET A 19 -3.660 5.870 -6.734 1.00 0.00 H new ATOM 0 HE2 MET A 19 -3.837 4.100 -6.700 1.00 0.00 H new ATOM 0 HE3 MET A 19 -3.689 5.008 -5.177 1.00 0.00 H new ATOM 276 N THR A 20 2.366 0.315 -4.226 1.00 0.00 N ATOM 277 CA THR A 20 3.328 -0.784 -4.331 1.00 0.00 C ATOM 278 C THR A 20 3.169 -1.990 -3.388 1.00 0.00 C ATOM 279 O THR A 20 3.325 -3.082 -3.935 1.00 0.00 O ATOM 280 CB THR A 20 4.803 -0.312 -4.324 1.00 0.00 C ATOM 281 OG1 THR A 20 5.173 0.732 -3.408 1.00 0.00 O ATOM 282 CG2 THR A 20 5.428 0.010 -5.681 1.00 0.00 C ATOM 0 H THR A 20 2.731 1.073 -3.650 1.00 0.00 H new ATOM 0 HA THR A 20 3.054 -1.171 -5.312 1.00 0.00 H new ATOM 0 HB THR A 20 5.225 -1.244 -3.948 1.00 0.00 H new ATOM 0 HG1 THR A 20 4.704 1.558 -3.647 1.00 0.00 H new ATOM 0 HG21 THR A 20 6.461 0.328 -5.540 1.00 0.00 H new ATOM 0 HG22 THR A 20 5.405 -0.878 -6.312 1.00 0.00 H new ATOM 0 HG23 THR A 20 4.864 0.810 -6.161 1.00 0.00 H new ATOM 290 N LEU A 21 2.647 -1.858 -2.159 1.00 0.00 N ATOM 291 CA LEU A 21 2.163 -2.860 -1.186 1.00 0.00 C ATOM 292 C LEU A 21 0.765 -3.458 -1.443 1.00 0.00 C ATOM 293 O LEU A 21 0.740 -4.684 -1.314 1.00 0.00 O ATOM 294 CB LEU A 21 2.343 -2.465 0.294 1.00 0.00 C ATOM 295 CG LEU A 21 3.417 -3.028 1.237 1.00 0.00 C ATOM 296 CD1 LEU A 21 3.310 -2.284 2.560 1.00 0.00 C ATOM 297 CD2 LEU A 21 3.354 -4.481 1.670 1.00 0.00 C ATOM 0 H LEU A 21 2.539 -0.922 -1.769 1.00 0.00 H new ATOM 0 HA LEU A 21 2.855 -3.678 -1.388 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.478 -1.383 0.300 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.387 -2.669 0.776 1.00 0.00 H new ATOM 0 HG LEU A 21 4.319 -2.914 0.635 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.062 -2.663 3.252 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.474 -1.219 2.393 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.317 -2.436 2.984 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.191 -4.700 2.333 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.417 -4.663 2.196 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.408 -5.125 0.792 1.00 0.00 H new ATOM 308 N ILE A 22 -0.202 -2.778 -2.091 1.00 0.00 N ATOM 309 CA ILE A 22 -1.518 -3.206 -2.610 1.00 0.00 C ATOM 310 C ILE A 22 -1.538 -4.143 -3.826 1.00 0.00 C ATOM 311 O ILE A 22 -2.241 -5.158 -3.785 1.00 0.00 O ATOM 312 CB ILE A 22 -2.622 -2.131 -2.592 1.00 0.00 C ATOM 313 CG1 ILE A 22 -4.073 -2.543 -2.804 1.00 0.00 C ATOM 314 CG2 ILE A 22 -2.450 -0.808 -3.277 1.00 0.00 C ATOM 315 CD1 ILE A 22 -4.963 -2.861 -1.628 1.00 0.00 C ATOM 0 H ILE A 22 -0.060 -1.787 -2.288 1.00 0.00 H new ATOM 0 HA ILE A 22 -1.814 -3.898 -1.822 1.00 0.00 H new ATOM 0 HB ILE A 22 -2.410 -1.981 -1.533 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.555 -1.742 -3.364 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.066 -3.422 -3.448 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -3.348 -0.206 -3.137 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -1.594 -0.286 -2.850 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.283 -0.969 -4.342 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.956 -3.132 -1.986 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.540 -3.694 -1.066 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.037 -1.987 -0.981 1.00 0.00 H new ATOM 326 N VAL A 23 -0.686 -3.814 -4.808 1.00 0.00 N ATOM 327 CA VAL A 23 -0.290 -4.459 -6.054 1.00 0.00 C ATOM 328 C VAL A 23 0.703 -5.606 -5.782 1.00 0.00 C ATOM 329 O VAL A 23 0.727 -6.542 -6.586 1.00 0.00 O ATOM 330 CB VAL A 23 0.155 -3.286 -6.962 1.00 0.00 C ATOM 331 CG1 VAL A 23 0.687 -3.788 -8.294 1.00 0.00 C ATOM 332 CG2 VAL A 23 -0.933 -2.403 -7.566 1.00 0.00 C ATOM 0 H VAL A 23 -0.177 -2.935 -4.719 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.074 -5.001 -6.583 1.00 0.00 H new ATOM 0 HB VAL A 23 0.815 -2.769 -6.265 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.991 -2.940 -8.907 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.546 -4.437 -8.122 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.093 -4.348 -8.810 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.474 -1.626 -8.177 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.592 -3.010 -8.187 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.512 -1.941 -6.766 1.00 0.00 H new ATOM 342 N ILE A 24 1.306 -5.604 -4.574 1.00 0.00 N ATOM 343 CA ILE A 24 2.057 -6.674 -3.914 1.00 0.00 C ATOM 344 C ILE A 24 1.322 -7.713 -3.041 1.00 0.00 C ATOM 345 O ILE A 24 1.522 -8.910 -3.274 1.00 0.00 O ATOM 346 CB ILE A 24 3.502 -6.157 -3.648 1.00 0.00 C ATOM 347 CG1 ILE A 24 4.734 -6.451 -4.516 1.00 0.00 C ATOM 348 CG2 ILE A 24 4.047 -6.307 -2.245 1.00 0.00 C ATOM 349 CD1 ILE A 24 4.819 -5.738 -5.839 1.00 0.00 C ATOM 0 H ILE A 24 1.271 -4.770 -3.987 1.00 0.00 H new ATOM 0 HA ILE A 24 2.194 -7.546 -4.554 1.00 0.00 H new ATOM 0 HB ILE A 24 3.132 -5.177 -3.949 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.624 -6.202 -3.938 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.768 -7.524 -4.706 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.060 -5.906 -2.203 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.412 -5.761 -1.548 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.063 -7.362 -1.972 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.734 -6.032 -6.353 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.957 -6.004 -6.452 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.827 -4.661 -5.672 1.00 0.00 H new ATOM 360 N TYR A 25 0.294 -7.243 -2.322 1.00 0.00 N ATOM 361 CA TYR A 25 -0.851 -7.870 -1.629 1.00 0.00 C ATOM 362 C TYR A 25 -1.866 -8.620 -2.517 1.00 0.00 C ATOM 363 O TYR A 25 -2.003 -9.812 -2.234 1.00 0.00 O ATOM 364 CB TYR A 25 -1.301 -6.939 -0.480 1.00 0.00 C ATOM 365 CG TYR A 25 -0.737 -6.955 0.946 1.00 0.00 C ATOM 366 CD1 TYR A 25 0.568 -7.269 1.345 1.00 0.00 C ATOM 367 CD2 TYR A 25 -1.570 -6.511 1.978 1.00 0.00 C ATOM 368 CE1 TYR A 25 0.948 -7.251 2.688 1.00 0.00 C ATOM 369 CE2 TYR A 25 -1.190 -6.438 3.313 1.00 0.00 C ATOM 370 CZ TYR A 25 0.079 -6.837 3.688 1.00 0.00 C ATOM 371 OH TYR A 25 0.371 -6.971 5.031 1.00 0.00 O ATOM 0 H TYR A 25 0.236 -6.233 -2.190 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.556 -8.787 -1.118 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -1.156 -5.923 -0.846 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -2.375 -7.091 -0.377 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.299 -7.532 0.595 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.573 -6.205 1.721 1.00 0.00 H new ATOM 0 HE1 TYR A 25 1.945 -7.568 2.956 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -1.884 -6.071 4.055 1.00 0.00 H new ATOM 0 HH TYR A 25 -0.371 -6.617 5.564 1.00 0.00 H new ATOM 380 N HIS A 26 -2.016 -8.210 -3.787 1.00 0.00 N ATOM 381 CA HIS A 26 -2.581 -8.923 -4.942 1.00 0.00 C ATOM 382 C HIS A 26 -1.796 -10.054 -5.624 1.00 0.00 C ATOM 383 O HIS A 26 -2.417 -10.884 -6.299 1.00 0.00 O ATOM 384 CB HIS A 26 -3.089 -7.810 -5.887 1.00 0.00 C ATOM 385 CG HIS A 26 -3.857 -7.892 -7.180 1.00 0.00 C ATOM 386 ND1 HIS A 26 -5.193 -8.160 -7.375 1.00 0.00 N ATOM 387 CD2 HIS A 26 -3.248 -8.214 -8.332 1.00 0.00 C ATOM 388 CE1 HIS A 26 -5.377 -8.698 -8.569 1.00 0.00 C ATOM 389 NE2 HIS A 26 -4.206 -8.732 -9.183 1.00 0.00 N ATOM 0 H HIS A 26 -1.713 -7.274 -4.057 1.00 0.00 H new ATOM 0 HA HIS A 26 -3.370 -9.575 -4.567 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -3.702 -7.173 -5.249 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -2.194 -7.241 -6.140 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -2.198 -8.091 -8.554 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -6.316 -9.047 -8.971 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -4.038 -9.082 -10.126 1.00 0.00 H new ATOM 397 N ALA A 27 -0.505 -10.147 -5.284 1.00 0.00 N ATOM 398 CA ALA A 27 0.442 -11.222 -5.602 1.00 0.00 C ATOM 399 C ALA A 27 0.715 -12.260 -4.501 1.00 0.00 C ATOM 400 O ALA A 27 0.935 -13.414 -4.879 1.00 0.00 O ATOM 401 CB ALA A 27 1.671 -10.515 -6.168 1.00 0.00 C ATOM 0 H ALA A 27 -0.060 -9.412 -4.734 1.00 0.00 H new ATOM 0 HA ALA A 27 0.003 -11.900 -6.334 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.427 -11.255 -6.431 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.389 -9.952 -7.058 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.075 -9.833 -5.420 1.00 0.00 H new ATOM 407 N VAL A 28 0.373 -11.941 -3.243 1.00 0.00 N ATOM 408 CA VAL A 28 0.479 -12.722 -2.006 1.00 0.00 C ATOM 409 C VAL A 28 -0.832 -13.359 -1.509 1.00 0.00 C ATOM 410 O VAL A 28 -0.897 -14.581 -1.666 1.00 0.00 O ATOM 411 CB VAL A 28 1.446 -12.085 -0.964 1.00 0.00 C ATOM 412 CG1 VAL A 28 2.599 -11.242 -1.475 1.00 0.00 C ATOM 413 CG2 VAL A 28 1.143 -11.509 0.413 1.00 0.00 C ATOM 0 H VAL A 28 -0.030 -11.024 -3.049 1.00 0.00 H new ATOM 0 HA VAL A 28 1.006 -13.641 -2.264 1.00 0.00 H new ATOM 0 HB VAL A 28 1.567 -13.149 -0.758 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.180 -10.870 -0.631 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.238 -11.850 -2.115 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.209 -10.400 -2.046 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.065 -11.147 0.867 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.439 -10.683 0.315 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.708 -12.284 1.044 1.00 0.00 H new ATOM 423 N ASP A 29 -1.894 -12.562 -1.295 1.00 0.00 N ATOM 424 CA ASP A 29 -3.246 -12.776 -0.756 1.00 0.00 C ATOM 425 C ASP A 29 -4.276 -13.298 -1.781 1.00 0.00 C ATOM 426 O ASP A 29 -4.967 -14.264 -1.444 1.00 0.00 O ATOM 427 CB ASP A 29 -3.630 -11.415 -0.148 1.00 0.00 C ATOM 428 CG ASP A 29 -4.558 -11.369 1.076 1.00 0.00 C ATOM 429 OD1 ASP A 29 -5.794 -11.329 0.889 1.00 0.00 O ATOM 430 OD2 ASP A 29 -4.115 -11.152 2.230 1.00 0.00 O ATOM 0 H ASP A 29 -1.799 -11.577 -1.543 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.249 -13.579 -0.019 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -2.705 -10.906 0.124 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.099 -10.826 -0.936 1.00 0.00 H new ATOM 434 N SER A 30 -4.429 -12.615 -2.930 1.00 0.00 N ATOM 435 CA SER A 30 -4.957 -12.984 -4.257 1.00 0.00 C ATOM 436 C SER A 30 -4.045 -13.716 -5.260 1.00 0.00 C ATOM 437 O SER A 30 -2.823 -13.620 -5.128 1.00 0.00 O ATOM 438 CB SER A 30 -5.535 -11.713 -4.889 1.00 0.00 C ATOM 439 OG SER A 30 -6.906 -11.468 -4.625 1.00 0.00 O ATOM 0 H SER A 30 -4.138 -11.637 -2.949 1.00 0.00 H new ATOM 0 HA SER A 30 -5.693 -13.760 -4.047 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.957 -10.858 -4.537 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.396 -11.769 -5.969 1.00 0.00 H new ATOM 0 HG SER A 30 -7.181 -10.638 -5.067 1.00 0.00 H new ATOM 444 N THR A 31 -4.658 -14.518 -6.150 1.00 0.00 N ATOM 445 CA THR A 31 -4.173 -15.331 -7.280 1.00 0.00 C ATOM 446 C THR A 31 -3.450 -14.662 -8.466 1.00 0.00 C ATOM 447 O THR A 31 -3.921 -13.621 -8.934 1.00 0.00 O ATOM 448 CB THR A 31 -5.254 -16.414 -7.570 1.00 0.00 C ATOM 449 OG1 THR A 31 -4.695 -17.608 -8.129 1.00 0.00 O ATOM 450 CG2 THR A 31 -6.562 -16.159 -8.318 1.00 0.00 C ATOM 0 H THR A 31 -5.670 -14.625 -6.078 1.00 0.00 H new ATOM 0 HA THR A 31 -3.249 -15.815 -6.965 1.00 0.00 H new ATOM 0 HB THR A 31 -5.595 -16.456 -6.536 1.00 0.00 H new ATOM 0 HG1 THR A 31 -5.417 -18.193 -8.439 1.00 0.00 H new ATOM 0 HG21 THR A 31 -7.132 -17.086 -8.381 1.00 0.00 H new ATOM 0 HG22 THR A 31 -7.146 -15.409 -7.784 1.00 0.00 H new ATOM 0 HG23 THR A 31 -6.342 -15.800 -9.323 1.00 0.00 H new ATOM 458 N MET A 32 -2.139 -14.966 -8.497 1.00 0.00 N ATOM 459 CA MET A 32 -1.108 -14.765 -9.533 1.00 0.00 C ATOM 460 C MET A 32 -0.550 -16.028 -10.219 1.00 0.00 C ATOM 461 O MET A 32 -0.908 -17.146 -9.839 1.00 0.00 O ATOM 462 CB MET A 32 0.058 -13.875 -9.064 1.00 0.00 C ATOM 463 CG MET A 32 -0.097 -12.375 -9.297 1.00 0.00 C ATOM 464 SD MET A 32 1.324 -11.447 -9.918 1.00 0.00 S ATOM 465 CE MET A 32 0.866 -11.126 -11.621 1.00 0.00 C ATOM 0 H MET A 32 -1.722 -15.420 -7.684 1.00 0.00 H new ATOM 0 HA MET A 32 -1.683 -14.249 -10.302 1.00 0.00 H new ATOM 0 HB2 MET A 32 0.207 -14.041 -7.997 1.00 0.00 H new ATOM 0 HB3 MET A 32 0.966 -14.207 -9.568 1.00 0.00 H new ATOM 0 HG2 MET A 32 -0.919 -12.232 -9.999 1.00 0.00 H new ATOM 0 HG3 MET A 32 -0.401 -11.923 -8.353 1.00 0.00 H new ATOM 0 HE1 MET A 32 1.659 -10.561 -12.111 1.00 0.00 H new ATOM 0 HE2 MET A 32 0.719 -12.072 -12.143 1.00 0.00 H new ATOM 0 HE3 MET A 32 -0.059 -10.550 -11.647 1.00 0.00 H new ATOM 473 N SER A 33 0.123 -15.847 -11.366 1.00 0.00 N ATOM 474 CA SER A 33 1.201 -16.662 -11.947 1.00 0.00 C ATOM 475 C SER A 33 2.621 -16.350 -11.424 1.00 0.00 C ATOM 476 O SER A 33 3.046 -15.222 -11.683 1.00 0.00 O ATOM 477 CB SER A 33 0.912 -16.613 -13.472 1.00 0.00 C ATOM 478 OG SER A 33 1.595 -15.705 -14.329 1.00 0.00 O ATOM 0 H SER A 33 -0.094 -15.052 -11.966 1.00 0.00 H new ATOM 0 HA SER A 33 1.201 -17.701 -11.619 1.00 0.00 H new ATOM 0 HB2 SER A 33 1.095 -17.615 -13.861 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.154 -16.416 -13.586 1.00 0.00 H new ATOM 0 HG SER A 33 2.274 -15.219 -13.816 1.00 0.00 H new ATOM 483 N PRO A 34 3.215 -17.040 -10.402 1.00 0.00 N ATOM 484 CA PRO A 34 4.662 -17.006 -10.085 1.00 0.00 C ATOM 485 C PRO A 34 5.675 -17.923 -10.791 1.00 0.00 C ATOM 486 O PRO A 34 5.910 -19.099 -10.484 1.00 0.00 O ATOM 487 CB PRO A 34 4.798 -16.874 -8.560 1.00 0.00 C ATOM 488 CG PRO A 34 3.453 -17.133 -7.978 1.00 0.00 C ATOM 489 CD PRO A 34 2.515 -17.367 -9.140 1.00 0.00 C ATOM 0 HA PRO A 34 5.039 -16.129 -10.610 1.00 0.00 H new ATOM 0 HB2 PRO A 34 5.528 -17.586 -8.175 1.00 0.00 H new ATOM 0 HB3 PRO A 34 5.150 -15.879 -8.289 1.00 0.00 H new ATOM 0 HG2 PRO A 34 3.477 -18.001 -7.319 1.00 0.00 H new ATOM 0 HG3 PRO A 34 3.121 -16.286 -7.377 1.00 0.00 H new ATOM 0 HD2 PRO A 34 2.184 -18.405 -9.152 1.00 0.00 H new ATOM 0 HD3 PRO A 34 1.623 -16.749 -9.034 1.00 0.00 H new ATOM 494 N LYS A 35 6.077 -17.256 -11.882 1.00 0.00 N ATOM 495 CA LYS A 35 6.894 -17.625 -13.044 1.00 0.00 C ATOM 496 C LYS A 35 8.246 -16.899 -13.201 1.00 0.00 C ATOM 497 O LYS A 35 9.191 -17.667 -13.407 1.00 0.00 O ATOM 498 CB LYS A 35 6.077 -17.848 -14.334 1.00 0.00 C ATOM 499 CG LYS A 35 5.236 -16.909 -15.202 1.00 0.00 C ATOM 500 CD LYS A 35 5.980 -16.465 -16.460 1.00 0.00 C ATOM 501 CE LYS A 35 5.336 -16.598 -17.827 1.00 0.00 C ATOM 502 NZ LYS A 35 6.437 -16.354 -18.805 1.00 0.00 N ATOM 0 H LYS A 35 5.785 -16.284 -11.981 1.00 0.00 H new ATOM 0 HA LYS A 35 7.256 -18.622 -12.792 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.801 -18.270 -15.031 1.00 0.00 H new ATOM 0 HB3 LYS A 35 5.386 -18.648 -14.070 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.311 -17.411 -15.487 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.956 -16.032 -14.619 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.237 -15.414 -16.327 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.917 -17.020 -16.491 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.901 -17.588 -17.963 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.529 -15.876 -17.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.065 -16.430 -19.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.827 -15.401 -18.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 7.187 -17.061 -18.666 1.00 0.00 H new ATOM 512 N ASN A 36 8.439 -15.662 -12.695 1.00 0.00 N ATOM 513 CA ASN A 36 9.474 -14.667 -13.041 1.00 0.00 C ATOM 514 C ASN A 36 10.841 -14.900 -12.378 1.00 0.00 C ATOM 515 O ASN A 36 11.849 -15.021 -13.106 1.00 0.00 O ATOM 516 CB ASN A 36 9.179 -13.172 -12.767 1.00 0.00 C ATOM 517 CG ASN A 36 8.163 -12.431 -13.635 1.00 0.00 C ATOM 518 OD1 ASN A 36 7.177 -12.931 -14.184 1.00 0.00 O ATOM 519 ND2 ASN A 36 8.314 -11.110 -13.624 1.00 0.00 N ATOM 520 OXT ASN A 36 10.919 -15.218 -11.170 1.00 0.00 O ATOM 0 H ASN A 36 7.818 -15.303 -11.969 1.00 0.00 H new ATOM 0 HA ASN A 36 9.477 -14.846 -14.116 1.00 0.00 H new ATOM 0 HB2 ASN A 36 8.845 -13.090 -11.733 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.124 -12.634 -12.841 1.00 0.00 H new ATOM 0 HD21 ASN A 36 7.616 -10.513 -14.068 1.00 0.00 H new ATOM 0 HD22 ASN A 36 9.128 -10.693 -13.171 1.00 0.00 H new TER 526 ASN A 36