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+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -0.0278 X(o=-0.028,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 -170:sc= 0 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl -171:sc= 0 (180deg=-0.096) USER MOD Single : A 20 THR OG1 : rot -67:sc= 0.427 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc=-0.00325 X(o=-0.0033,f=-0.0033) USER MOD Single : A 30 SER OG : rot -145:sc= 0.308 USER MOD Single : A 31 THR OG1 : rot 180: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= -0.225 X(o=-0.22,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.519 21.255 16.984 1.00 0.00 N ATOM 2 CA MET A 1 -1.237 22.075 15.970 1.00 0.00 C ATOM 3 C MET A 1 -2.309 21.226 15.269 1.00 0.00 C ATOM 4 O MET A 1 -1.994 20.209 14.643 1.00 0.00 O ATOM 5 CB MET A 1 -0.263 22.820 15.039 1.00 0.00 C ATOM 6 CG MET A 1 0.612 23.994 15.473 1.00 0.00 C ATOM 7 SD MET A 1 0.051 25.606 14.882 1.00 0.00 S ATOM 8 CE MET A 1 1.327 26.716 15.477 1.00 0.00 C ATOM 0 H1 MET A 1 0.204 21.837 17.453 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.197 20.907 17.692 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.062 20.446 16.516 1.00 0.00 H new ATOM 0 HA MET A 1 -1.780 22.881 16.464 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.417 22.065 14.644 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.860 23.180 14.201 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.655 24.015 16.562 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.628 23.824 15.117 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.091 27.736 15.175 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.378 26.662 16.564 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.288 26.425 15.054 1.00 0.00 H new ATOM 18 N ILE A 2 -3.545 21.532 15.691 1.00 0.00 N ATOM 19 CA ILE A 2 -4.863 21.001 15.301 1.00 0.00 C ATOM 20 C ILE A 2 -5.744 22.219 14.952 1.00 0.00 C ATOM 21 O ILE A 2 -5.979 23.085 15.804 1.00 0.00 O ATOM 22 CB ILE A 2 -5.534 19.963 16.260 1.00 0.00 C ATOM 23 CG1 ILE A 2 -4.638 18.826 16.794 1.00 0.00 C ATOM 24 CG2 ILE A 2 -6.679 19.202 15.592 1.00 0.00 C ATOM 25 CD1 ILE A 2 -4.634 18.374 18.246 1.00 0.00 C ATOM 0 H ILE A 2 -3.659 22.250 16.406 1.00 0.00 H new ATOM 0 HA ILE A 2 -4.723 20.355 14.435 1.00 0.00 H new ATOM 0 HB ILE A 2 -5.835 20.623 17.073 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -4.873 17.944 16.198 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -3.612 19.106 16.557 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -7.109 18.495 16.302 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -7.446 19.907 15.272 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -6.299 18.661 14.725 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -3.920 17.560 18.372 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -4.349 19.209 18.886 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -5.630 18.028 18.522 1.00 0.00 H new ATOM 36 N SER A 3 -5.898 22.421 13.630 1.00 0.00 N ATOM 37 CA SER A 3 -6.919 23.169 12.874 1.00 0.00 C ATOM 38 C SER A 3 -7.591 22.329 11.769 1.00 0.00 C ATOM 39 O SER A 3 -8.735 21.941 12.018 1.00 0.00 O ATOM 40 CB SER A 3 -6.432 24.520 12.317 1.00 0.00 C ATOM 41 OG SER A 3 -7.450 25.418 11.896 1.00 0.00 O ATOM 0 H SER A 3 -5.222 22.010 12.986 1.00 0.00 H new ATOM 0 HA SER A 3 -7.677 23.401 13.622 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.833 25.013 13.083 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.772 24.326 11.471 1.00 0.00 H new ATOM 0 HG SER A 3 -7.041 26.243 11.562 1.00 0.00 H new ATOM 46 N ASP A 4 -6.876 21.907 10.709 1.00 0.00 N ATOM 47 CA ASP A 4 -7.249 21.484 9.344 1.00 0.00 C ATOM 48 C ASP A 4 -6.337 20.343 8.851 1.00 0.00 C ATOM 49 O ASP A 4 -5.117 20.428 9.028 1.00 0.00 O ATOM 50 CB ASP A 4 -7.276 22.637 8.316 1.00 0.00 C ATOM 51 CG ASP A 4 -8.506 23.512 8.124 1.00 0.00 C ATOM 52 OD1 ASP A 4 -8.677 24.482 8.892 1.00 0.00 O ATOM 53 OD2 ASP A 4 -9.059 23.486 7.003 1.00 0.00 O ATOM 0 H ASP A 4 -5.863 21.846 10.809 1.00 0.00 H new ATOM 0 HA ASP A 4 -8.274 21.121 9.420 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -6.451 23.304 8.568 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -7.046 22.199 7.345 1.00 0.00 H new ATOM 57 N GLU A 5 -6.917 19.292 8.244 1.00 0.00 N ATOM 58 CA GLU A 5 -6.328 18.028 7.763 1.00 0.00 C ATOM 59 C GLU A 5 -5.641 18.111 6.388 1.00 0.00 C ATOM 60 O GLU A 5 -6.244 18.407 5.351 1.00 0.00 O ATOM 61 CB GLU A 5 -7.289 16.823 7.898 1.00 0.00 C ATOM 62 CG GLU A 5 -7.426 16.088 9.235 1.00 0.00 C ATOM 63 CD GLU A 5 -8.581 15.121 9.473 1.00 0.00 C ATOM 64 OE1 GLU A 5 -8.708 14.070 8.807 1.00 0.00 O ATOM 65 OE2 GLU A 5 -9.290 15.320 10.484 1.00 0.00 O ATOM 0 H GLU A 5 -7.920 19.309 8.058 1.00 0.00 H new ATOM 0 HA GLU A 5 -5.504 17.839 8.451 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -8.283 17.171 7.618 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.988 16.086 7.154 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -6.503 15.531 9.391 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -7.476 16.847 10.016 1.00 0.00 H new ATOM 70 N GLN A 6 -4.311 18.131 6.548 1.00 0.00 N ATOM 71 CA GLN A 6 -3.188 18.396 5.634 1.00 0.00 C ATOM 72 C GLN A 6 -2.213 17.218 5.427 1.00 0.00 C ATOM 73 O GLN A 6 -1.432 17.282 4.475 1.00 0.00 O ATOM 74 CB GLN A 6 -2.670 19.778 6.089 1.00 0.00 C ATOM 75 CG GLN A 6 -2.941 21.027 5.254 1.00 0.00 C ATOM 76 CD GLN A 6 -2.369 22.414 5.528 1.00 0.00 C ATOM 77 OE1 GLN A 6 -2.099 22.896 6.631 1.00 0.00 O ATOM 78 NE2 GLN A 6 -2.248 23.142 4.421 1.00 0.00 N ATOM 0 H GLN A 6 -3.939 17.928 7.476 1.00 0.00 H new ATOM 0 HA GLN A 6 -3.463 18.461 4.581 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -3.078 19.962 7.083 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -1.589 19.695 6.199 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -2.639 20.776 4.237 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -4.024 21.149 5.244 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -2.474 22.733 3.514 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -1.929 24.109 4.479 1.00 0.00 H new ATOM 85 N LEU A 7 -2.573 16.046 5.981 1.00 0.00 N ATOM 86 CA LEU A 7 -2.200 14.634 5.765 1.00 0.00 C ATOM 87 C LEU A 7 -2.547 13.983 4.399 1.00 0.00 C ATOM 88 O LEU A 7 -2.434 12.764 4.221 1.00 0.00 O ATOM 89 CB LEU A 7 -2.747 13.881 6.994 1.00 0.00 C ATOM 90 CG LEU A 7 -2.215 13.865 8.445 1.00 0.00 C ATOM 91 CD1 LEU A 7 -0.974 13.026 8.710 1.00 0.00 C ATOM 92 CD2 LEU A 7 -2.022 15.150 9.239 1.00 0.00 C ATOM 0 H LEU A 7 -3.263 16.080 6.732 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.115 14.570 5.682 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.784 14.206 7.081 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.766 12.834 6.693 1.00 0.00 H new ATOM 0 HG LEU A 7 -3.129 13.402 8.817 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -0.704 13.099 9.763 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.178 11.985 8.459 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.150 13.392 8.098 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -1.641 14.911 10.232 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.310 15.794 8.722 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -2.977 15.667 9.332 1.00 0.00 H new ATOM 103 N ASN A 8 -2.983 14.793 3.421 1.00 0.00 N ATOM 104 CA ASN A 8 -2.945 14.703 1.947 1.00 0.00 C ATOM 105 C ASN A 8 -1.546 14.751 1.293 1.00 0.00 C ATOM 106 O ASN A 8 -1.315 13.944 0.388 1.00 0.00 O ATOM 107 CB ASN A 8 -3.974 15.713 1.388 1.00 0.00 C ATOM 108 CG ASN A 8 -4.766 15.415 0.104 1.00 0.00 C ATOM 109 OD1 ASN A 8 -4.352 14.753 -0.854 1.00 0.00 O ATOM 110 ND2 ASN A 8 -5.992 15.920 -0.020 1.00 0.00 N ATOM 0 H ASN A 8 -3.443 15.663 3.688 1.00 0.00 H new ATOM 0 HA ASN A 8 -3.236 13.693 1.658 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -4.704 15.894 2.177 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -3.443 16.651 1.224 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -6.530 15.750 -0.870 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -6.393 16.476 0.735 1.00 0.00 H new ATOM 116 N SER A 9 -0.586 15.516 1.835 1.00 0.00 N ATOM 117 CA SER A 9 0.874 15.485 1.652 1.00 0.00 C ATOM 118 C SER A 9 1.662 14.293 2.218 1.00 0.00 C ATOM 119 O SER A 9 2.690 14.001 1.598 1.00 0.00 O ATOM 120 CB SER A 9 1.410 16.833 2.149 1.00 0.00 C ATOM 121 OG SER A 9 2.526 17.464 1.557 1.00 0.00 O ATOM 0 H SER A 9 -0.844 16.257 2.487 1.00 0.00 H new ATOM 0 HA SER A 9 1.043 15.323 0.588 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.583 17.540 2.090 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.646 16.706 3.206 1.00 0.00 H new ATOM 0 HG SER A 9 2.705 18.311 2.017 1.00 0.00 H new ATOM 126 N LEU A 10 1.038 13.478 3.085 1.00 0.00 N ATOM 127 CA LEU A 10 1.219 12.047 3.338 1.00 0.00 C ATOM 128 C LEU A 10 0.513 11.110 2.347 1.00 0.00 C ATOM 129 O LEU A 10 1.286 10.334 1.791 1.00 0.00 O ATOM 130 CB LEU A 10 0.930 11.834 4.827 1.00 0.00 C ATOM 131 CG LEU A 10 0.757 10.493 5.565 1.00 0.00 C ATOM 132 CD1 LEU A 10 1.724 10.248 6.719 1.00 0.00 C ATOM 133 CD2 LEU A 10 -0.693 10.346 5.994 1.00 0.00 C ATOM 0 H LEU A 10 0.311 13.855 3.693 1.00 0.00 H new ATOM 0 HA LEU A 10 2.246 11.744 3.133 1.00 0.00 H new ATOM 0 HB2 LEU A 10 1.735 12.349 5.352 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.014 12.390 5.024 1.00 0.00 H new ATOM 0 HG LEU A 10 1.022 9.712 4.852 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.516 9.277 7.168 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.748 10.263 6.345 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.601 11.029 7.469 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.823 9.399 6.517 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -0.961 11.167 6.658 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.336 10.366 5.114 1.00 0.00 H new ATOM 144 N ALA A 11 -0.761 11.271 1.959 1.00 0.00 N ATOM 145 CA ALA A 11 -1.556 10.398 1.082 1.00 0.00 C ATOM 146 C ALA A 11 -1.144 10.201 -0.387 1.00 0.00 C ATOM 147 O ALA A 11 -1.449 9.154 -0.968 1.00 0.00 O ATOM 148 CB ALA A 11 -2.989 10.893 1.149 1.00 0.00 C ATOM 0 H ALA A 11 -1.303 12.075 2.274 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.384 9.398 1.479 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.618 10.273 0.511 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -3.346 10.835 2.177 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.033 11.927 0.807 1.00 0.00 H new ATOM 154 N ILE A 12 -0.206 11.064 -0.790 1.00 0.00 N ATOM 155 CA ILE A 12 0.794 10.960 -1.865 1.00 0.00 C ATOM 156 C ILE A 12 2.143 10.343 -1.459 1.00 0.00 C ATOM 157 O ILE A 12 2.195 9.171 -1.830 1.00 0.00 O ATOM 158 CB ILE A 12 0.683 12.214 -2.783 1.00 0.00 C ATOM 159 CG1 ILE A 12 0.097 12.023 -4.201 1.00 0.00 C ATOM 160 CG2 ILE A 12 1.807 13.234 -2.947 1.00 0.00 C ATOM 161 CD1 ILE A 12 -1.406 12.041 -4.378 1.00 0.00 C ATOM 0 H ILE A 12 -0.117 11.962 -0.314 1.00 0.00 H new ATOM 0 HA ILE A 12 0.577 10.148 -2.559 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.020 12.641 -2.068 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.514 12.803 -4.838 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.463 11.070 -4.584 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.491 14.016 -3.638 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.040 13.678 -1.979 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.694 12.738 -3.342 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.650 11.894 -5.430 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.852 11.241 -3.787 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.800 13.001 -4.045 1.00 0.00 H new ATOM 172 N THR A 13 2.891 10.822 -0.455 1.00 0.00 N ATOM 173 CA THR A 13 4.196 10.360 0.080 1.00 0.00 C ATOM 174 C THR A 13 4.399 8.864 0.400 1.00 0.00 C ATOM 175 O THR A 13 4.992 8.186 -0.439 1.00 0.00 O ATOM 176 CB THR A 13 4.803 11.449 1.013 1.00 0.00 C ATOM 177 OG1 THR A 13 6.149 11.748 0.614 1.00 0.00 O ATOM 178 CG2 THR A 13 4.731 11.664 2.531 1.00 0.00 C ATOM 0 H THR A 13 2.566 11.636 0.067 1.00 0.00 H new ATOM 0 HA THR A 13 4.876 10.282 -0.768 1.00 0.00 H new ATOM 0 HB THR A 13 3.925 12.064 0.817 1.00 0.00 H new ATOM 0 HG1 THR A 13 6.574 12.311 1.294 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.299 12.555 2.800 1.00 0.00 H new ATOM 0 HG22 THR A 13 3.691 11.792 2.831 1.00 0.00 H new ATOM 0 HG23 THR A 13 5.152 10.798 3.042 1.00 0.00 H new ATOM 186 N PHE A 14 3.532 8.411 1.308 1.00 0.00 N ATOM 187 CA PHE A 14 2.898 7.165 1.768 1.00 0.00 C ATOM 188 C PHE A 14 2.147 6.231 0.818 1.00 0.00 C ATOM 189 O PHE A 14 2.405 5.027 0.928 1.00 0.00 O ATOM 190 CB PHE A 14 2.254 7.515 3.127 1.00 0.00 C ATOM 191 CG PHE A 14 0.920 7.015 3.635 1.00 0.00 C ATOM 192 CD1 PHE A 14 -0.224 7.509 3.025 1.00 0.00 C ATOM 193 CD2 PHE A 14 0.777 5.944 4.511 1.00 0.00 C ATOM 194 CE1 PHE A 14 -1.430 6.835 3.128 1.00 0.00 C ATOM 195 CE2 PHE A 14 -0.435 5.282 4.647 1.00 0.00 C ATOM 196 CZ PHE A 14 -1.536 5.702 3.920 1.00 0.00 C ATOM 0 H PHE A 14 3.152 9.139 1.913 1.00 0.00 H new ATOM 0 HA PHE A 14 3.678 6.409 1.856 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.984 7.224 3.882 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.188 8.603 3.150 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.174 8.430 2.463 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.625 5.622 5.096 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.293 7.195 2.588 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -0.519 4.441 5.319 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.465 5.154 3.969 1.00 0.00 H new ATOM 205 N GLY A 15 1.597 6.841 -0.234 1.00 0.00 N ATOM 206 CA GLY A 15 0.573 6.364 -1.153 1.00 0.00 C ATOM 207 C GLY A 15 1.043 5.806 -2.488 1.00 0.00 C ATOM 208 O GLY A 15 0.288 4.930 -2.920 1.00 0.00 O ATOM 0 H GLY A 15 1.894 7.784 -0.486 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -0.001 5.589 -0.646 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -0.112 7.188 -1.353 1.00 0.00 H new ATOM 212 N ILE A 16 2.169 6.266 -3.072 1.00 0.00 N ATOM 213 CA ILE A 16 3.090 5.525 -3.915 1.00 0.00 C ATOM 214 C ILE A 16 3.795 4.297 -3.294 1.00 0.00 C ATOM 215 O ILE A 16 3.846 3.302 -4.031 1.00 0.00 O ATOM 216 CB ILE A 16 3.953 6.366 -4.891 1.00 0.00 C ATOM 217 CG1 ILE A 16 4.774 7.634 -4.607 1.00 0.00 C ATOM 218 CG2 ILE A 16 3.551 6.257 -6.358 1.00 0.00 C ATOM 219 CD1 ILE A 16 4.058 8.916 -4.293 1.00 0.00 C ATOM 0 H ILE A 16 2.466 7.234 -2.949 1.00 0.00 H new ATOM 0 HA ILE A 16 2.377 5.038 -4.580 1.00 0.00 H new ATOM 0 HB ILE A 16 4.763 5.768 -4.473 1.00 0.00 H new ATOM 0 HG12 ILE A 16 5.437 7.415 -3.770 1.00 0.00 H new ATOM 0 HG13 ILE A 16 5.407 7.816 -5.475 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.211 6.879 -6.963 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.633 5.219 -6.682 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.522 6.595 -6.479 1.00 0.00 H new ATOM 0 HD11 ILE A 16 4.787 9.707 -4.120 1.00 0.00 H new ATOM 0 HD12 ILE A 16 3.418 9.190 -5.132 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.448 8.783 -3.400 1.00 0.00 H new ATOM 230 N VAL A 17 4.048 4.271 -1.960 1.00 0.00 N ATOM 231 CA VAL A 17 4.488 3.181 -1.081 1.00 0.00 C ATOM 232 C VAL A 17 3.374 2.199 -0.668 1.00 0.00 C ATOM 233 O VAL A 17 3.710 1.010 -0.617 1.00 0.00 O ATOM 234 CB VAL A 17 5.324 3.625 0.157 1.00 0.00 C ATOM 235 CG1 VAL A 17 6.698 2.990 0.271 1.00 0.00 C ATOM 236 CG2 VAL A 17 5.826 5.054 0.168 1.00 0.00 C ATOM 0 H VAL A 17 3.930 5.127 -1.418 1.00 0.00 H new ATOM 0 HA VAL A 17 5.170 2.633 -1.731 1.00 0.00 H new ATOM 0 HB VAL A 17 4.581 3.370 0.913 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.199 3.364 1.164 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.594 1.907 0.340 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.290 3.242 -0.609 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.392 5.234 1.082 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.470 5.220 -0.696 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.978 5.738 0.126 1.00 0.00 H new ATOM 246 N MET A 18 2.108 2.646 -0.493 1.00 0.00 N ATOM 247 CA MET A 18 0.844 1.902 -0.398 1.00 0.00 C ATOM 248 C MET A 18 0.321 1.303 -1.714 1.00 0.00 C ATOM 249 O MET A 18 0.146 0.087 -1.634 1.00 0.00 O ATOM 250 CB MET A 18 -0.057 2.916 0.314 1.00 0.00 C ATOM 251 CG MET A 18 -1.295 2.633 1.165 1.00 0.00 C ATOM 252 SD MET A 18 -2.873 2.662 0.289 1.00 0.00 S ATOM 253 CE MET A 18 -3.686 4.084 1.018 1.00 0.00 C ATOM 0 H MET A 18 1.936 3.648 -0.406 1.00 0.00 H new ATOM 0 HA MET A 18 0.926 0.964 0.151 1.00 0.00 H new ATOM 0 HB2 MET A 18 0.610 3.485 0.961 1.00 0.00 H new ATOM 0 HB3 MET A 18 -0.398 3.594 -0.469 1.00 0.00 H new ATOM 0 HG2 MET A 18 -1.177 1.654 1.630 1.00 0.00 H new ATOM 0 HG3 MET A 18 -1.334 3.366 1.971 1.00 0.00 H new ATOM 0 HE1 MET A 18 -4.669 4.213 0.565 1.00 0.00 H new ATOM 0 HE2 MET A 18 -3.798 3.928 2.091 1.00 0.00 H new ATOM 0 HE3 MET A 18 -3.086 4.976 0.842 1.00 0.00 H new ATOM 261 N MET A 19 0.500 1.937 -2.887 1.00 0.00 N ATOM 262 CA MET A 19 0.225 1.451 -4.241 1.00 0.00 C ATOM 263 C MET A 19 1.151 0.360 -4.790 1.00 0.00 C ATOM 264 O MET A 19 0.544 -0.606 -5.260 1.00 0.00 O ATOM 265 CB MET A 19 0.044 2.634 -5.225 1.00 0.00 C ATOM 266 CG MET A 19 -1.292 3.356 -5.391 1.00 0.00 C ATOM 267 SD MET A 19 -1.398 4.764 -6.522 1.00 0.00 S ATOM 268 CE MET A 19 -1.620 6.155 -5.411 1.00 0.00 C ATOM 0 H MET A 19 0.874 2.886 -2.907 1.00 0.00 H new ATOM 0 HA MET A 19 -0.719 0.915 -4.145 1.00 0.00 H new ATOM 0 HB2 MET A 19 0.777 3.391 -4.944 1.00 0.00 H new ATOM 0 HB3 MET A 19 0.327 2.267 -6.212 1.00 0.00 H new ATOM 0 HG2 MET A 19 -2.026 2.618 -5.715 1.00 0.00 H new ATOM 0 HG3 MET A 19 -1.603 3.702 -4.405 1.00 0.00 H new ATOM 0 HE1 MET A 19 -1.857 7.048 -5.989 1.00 0.00 H new ATOM 0 HE2 MET A 19 -2.436 5.943 -4.721 1.00 0.00 H new ATOM 0 HE3 MET A 19 -0.702 6.321 -4.847 1.00 0.00 H new ATOM 276 N THR A 20 2.373 0.277 -4.243 1.00 0.00 N ATOM 277 CA THR A 20 3.329 -0.828 -4.318 1.00 0.00 C ATOM 278 C THR A 20 3.110 -2.031 -3.382 1.00 0.00 C ATOM 279 O THR A 20 3.152 -3.116 -3.962 1.00 0.00 O ATOM 280 CB THR A 20 4.810 -0.381 -4.251 1.00 0.00 C ATOM 281 OG1 THR A 20 5.123 0.665 -3.320 1.00 0.00 O ATOM 282 CG2 THR A 20 5.468 -0.026 -5.584 1.00 0.00 C ATOM 0 H THR A 20 2.745 1.049 -3.691 1.00 0.00 H new ATOM 0 HA THR A 20 3.100 -1.201 -5.316 1.00 0.00 H new ATOM 0 HB THR A 20 5.237 -1.313 -3.881 1.00 0.00 H new ATOM 0 HG1 THR A 20 4.697 1.499 -3.610 1.00 0.00 H new ATOM 0 HG21 THR A 20 6.502 0.272 -5.411 1.00 0.00 H new ATOM 0 HG22 THR A 20 5.445 -0.894 -6.243 1.00 0.00 H new ATOM 0 HG23 THR A 20 4.926 0.797 -6.049 1.00 0.00 H new ATOM 290 N LEU A 21 2.638 -1.885 -2.132 1.00 0.00 N ATOM 291 CA LEU A 21 2.153 -2.882 -1.155 1.00 0.00 C ATOM 292 C LEU A 21 0.752 -3.477 -1.406 1.00 0.00 C ATOM 293 O LEU A 21 0.698 -4.693 -1.215 1.00 0.00 O ATOM 294 CB LEU A 21 2.336 -2.497 0.329 1.00 0.00 C ATOM 295 CG LEU A 21 3.388 -3.104 1.275 1.00 0.00 C ATOM 296 CD1 LEU A 21 3.297 -2.377 2.610 1.00 0.00 C ATOM 297 CD2 LEU A 21 3.286 -4.568 1.673 1.00 0.00 C ATOM 0 H LEU A 21 2.579 -0.949 -1.731 1.00 0.00 H new ATOM 0 HA LEU A 21 2.849 -3.694 -1.362 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.509 -1.421 0.340 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.371 -2.670 0.804 1.00 0.00 H new ATOM 0 HG LEU A 21 4.299 -3.002 0.686 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.034 -2.789 3.300 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.494 -1.315 2.460 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.298 -2.505 3.027 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.109 -4.821 2.342 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.338 -4.741 2.182 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.338 -5.192 0.781 1.00 0.00 H new ATOM 308 N ILE A 22 -0.203 -2.787 -2.063 1.00 0.00 N ATOM 309 CA ILE A 22 -1.510 -3.202 -2.607 1.00 0.00 C ATOM 310 C ILE A 22 -1.525 -4.142 -3.820 1.00 0.00 C ATOM 311 O ILE A 22 -2.251 -5.141 -3.790 1.00 0.00 O ATOM 312 CB ILE A 22 -2.621 -2.136 -2.598 1.00 0.00 C ATOM 313 CG1 ILE A 22 -4.062 -2.545 -2.875 1.00 0.00 C ATOM 314 CG2 ILE A 22 -2.423 -0.800 -3.250 1.00 0.00 C ATOM 315 CD1 ILE A 22 -4.992 -2.918 -1.748 1.00 0.00 C ATOM 0 H ILE A 22 -0.054 -1.795 -2.248 1.00 0.00 H new ATOM 0 HA ILE A 22 -1.805 -3.890 -1.815 1.00 0.00 H new ATOM 0 HB ILE A 22 -2.462 -2.015 -1.526 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.529 -1.722 -3.416 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.028 -3.396 -3.556 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -3.325 -0.199 -3.130 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -1.581 -0.288 -2.783 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.219 -0.940 -4.312 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.970 -3.177 -2.154 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.585 -3.773 -1.208 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.094 -2.074 -1.066 1.00 0.00 H new ATOM 326 N VAL A 23 -0.677 -3.815 -4.805 1.00 0.00 N ATOM 327 CA VAL A 23 -0.256 -4.466 -6.039 1.00 0.00 C ATOM 328 C VAL A 23 0.732 -5.616 -5.752 1.00 0.00 C ATOM 329 O VAL A 23 0.762 -6.568 -6.540 1.00 0.00 O ATOM 330 CB VAL A 23 0.193 -3.283 -6.931 1.00 0.00 C ATOM 331 CG1 VAL A 23 0.743 -3.776 -8.259 1.00 0.00 C ATOM 332 CG2 VAL A 23 -0.897 -2.415 -7.555 1.00 0.00 C ATOM 0 H VAL A 23 -0.188 -2.923 -4.728 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.020 -5.021 -6.583 1.00 0.00 H new ATOM 0 HB VAL A 23 0.837 -2.762 -6.223 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.050 -2.923 -8.865 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.602 -4.422 -8.080 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.029 -4.337 -8.787 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.438 -1.627 -8.152 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.532 -3.030 -8.193 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.501 -1.967 -6.766 1.00 0.00 H new ATOM 342 N ILE A 24 1.335 -5.604 -4.546 1.00 0.00 N ATOM 343 CA ILE A 24 2.068 -6.683 -3.881 1.00 0.00 C ATOM 344 C ILE A 24 1.327 -7.730 -3.024 1.00 0.00 C ATOM 345 O ILE A 24 1.463 -8.907 -3.370 1.00 0.00 O ATOM 346 CB ILE A 24 3.516 -6.182 -3.616 1.00 0.00 C ATOM 347 CG1 ILE A 24 4.729 -6.522 -4.495 1.00 0.00 C ATOM 348 CG2 ILE A 24 4.049 -6.355 -2.210 1.00 0.00 C ATOM 349 CD1 ILE A 24 4.845 -5.800 -5.810 1.00 0.00 C ATOM 0 H ILE A 24 1.316 -4.763 -3.969 1.00 0.00 H new ATOM 0 HA ILE A 24 2.183 -7.565 -4.511 1.00 0.00 H new ATOM 0 HB ILE A 24 3.195 -5.180 -3.900 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.632 -6.322 -3.918 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.711 -7.593 -4.697 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.066 -5.967 -2.156 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.415 -5.810 -1.511 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.050 -7.413 -1.949 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.744 -6.133 -6.330 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.970 -6.017 -6.423 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.905 -4.726 -5.632 1.00 0.00 H new ATOM 360 N TYR A 25 0.300 -7.270 -2.295 1.00 0.00 N ATOM 361 CA TYR A 25 -0.864 -7.892 -1.629 1.00 0.00 C ATOM 362 C TYR A 25 -1.849 -8.622 -2.567 1.00 0.00 C ATOM 363 O TYR A 25 -1.835 -9.843 -2.406 1.00 0.00 O ATOM 364 CB TYR A 25 -1.322 -6.950 -0.492 1.00 0.00 C ATOM 365 CG TYR A 25 -0.820 -7.044 0.954 1.00 0.00 C ATOM 366 CD1 TYR A 25 0.487 -7.295 1.386 1.00 0.00 C ATOM 367 CD2 TYR A 25 -1.691 -6.625 1.963 1.00 0.00 C ATOM 368 CE1 TYR A 25 0.825 -7.278 2.742 1.00 0.00 C ATOM 369 CE2 TYR A 25 -1.352 -6.549 3.308 1.00 0.00 C ATOM 370 CZ TYR A 25 -0.084 -6.907 3.723 1.00 0.00 C ATOM 371 OH TYR A 25 0.185 -7.053 5.071 1.00 0.00 O ATOM 0 H TYR A 25 0.261 -6.264 -2.129 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.621 -8.812 -1.096 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -1.098 -5.937 -0.827 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -2.407 -7.037 -0.444 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.253 -7.507 0.654 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.694 -6.342 1.679 1.00 0.00 H new ATOM 0 HE1 TYR A 25 1.825 -7.562 3.036 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -2.080 -6.210 4.030 1.00 0.00 H new ATOM 0 HH TYR A 25 -0.580 -6.733 5.594 1.00 0.00 H new ATOM 380 N HIS A 26 -2.020 -8.141 -3.809 1.00 0.00 N ATOM 381 CA HIS A 26 -2.583 -8.804 -4.993 1.00 0.00 C ATOM 382 C HIS A 26 -1.785 -9.883 -5.742 1.00 0.00 C ATOM 383 O HIS A 26 -2.332 -10.526 -6.647 1.00 0.00 O ATOM 384 CB HIS A 26 -3.125 -7.658 -5.873 1.00 0.00 C ATOM 385 CG HIS A 26 -3.931 -7.704 -7.142 1.00 0.00 C ATOM 386 ND1 HIS A 26 -5.253 -8.055 -7.300 1.00 0.00 N ATOM 387 CD2 HIS A 26 -3.341 -7.962 -8.321 1.00 0.00 C ATOM 388 CE1 HIS A 26 -5.425 -8.629 -8.479 1.00 0.00 C ATOM 389 NE2 HIS A 26 -4.267 -8.602 -9.117 1.00 0.00 N ATOM 0 H HIS A 26 -1.740 -7.185 -4.029 1.00 0.00 H new ATOM 0 HA HIS A 26 -3.353 -9.491 -4.641 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -3.722 -7.051 -5.193 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -2.243 -7.072 -6.132 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -2.326 -7.713 -8.595 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -6.348 -9.046 -8.854 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -4.089 -8.990 -10.043 1.00 0.00 H new ATOM 397 N ALA A 27 -0.522 -10.050 -5.328 1.00 0.00 N ATOM 398 CA ALA A 27 0.373 -11.180 -5.606 1.00 0.00 C ATOM 399 C ALA A 27 0.547 -12.215 -4.481 1.00 0.00 C ATOM 400 O ALA A 27 0.409 -13.385 -4.849 1.00 0.00 O ATOM 401 CB ALA A 27 1.646 -10.587 -6.203 1.00 0.00 C ATOM 0 H ALA A 27 -0.066 -9.346 -4.747 1.00 0.00 H new ATOM 0 HA ALA A 27 -0.091 -11.847 -6.333 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.349 -11.388 -6.429 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.402 -10.049 -7.119 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.097 -9.899 -5.488 1.00 0.00 H new ATOM 407 N VAL A 28 0.411 -11.820 -3.202 1.00 0.00 N ATOM 408 CA VAL A 28 0.533 -12.585 -1.954 1.00 0.00 C ATOM 409 C VAL A 28 -0.776 -13.180 -1.405 1.00 0.00 C ATOM 410 O VAL A 28 -0.827 -14.412 -1.424 1.00 0.00 O ATOM 411 CB VAL A 28 1.563 -11.999 -0.940 1.00 0.00 C ATOM 412 CG1 VAL A 28 2.640 -11.067 -1.465 1.00 0.00 C ATOM 413 CG2 VAL A 28 1.315 -11.471 0.466 1.00 0.00 C ATOM 0 H VAL A 28 0.188 -10.846 -2.999 1.00 0.00 H new ATOM 0 HA VAL A 28 1.030 -13.512 -2.240 1.00 0.00 H new ATOM 0 HB VAL A 28 1.770 -13.061 -0.809 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.276 -10.745 -0.640 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.244 -11.590 -2.206 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.174 -10.196 -1.926 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.257 -11.135 0.900 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.617 -10.635 0.423 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.893 -12.264 1.083 1.00 0.00 H new ATOM 423 N ASP A 29 -1.785 -12.369 -1.047 1.00 0.00 N ATOM 424 CA ASP A 29 -3.172 -12.573 -0.586 1.00 0.00 C ATOM 425 C ASP A 29 -4.121 -13.376 -1.500 1.00 0.00 C ATOM 426 O ASP A 29 -4.905 -14.167 -0.965 1.00 0.00 O ATOM 427 CB ASP A 29 -3.646 -11.138 -0.271 1.00 0.00 C ATOM 428 CG ASP A 29 -4.686 -10.889 0.829 1.00 0.00 C ATOM 429 OD1 ASP A 29 -4.352 -10.723 2.027 1.00 0.00 O ATOM 430 OD2 ASP A 29 -5.877 -10.709 0.497 1.00 0.00 O ATOM 0 H ASP A 29 -1.608 -11.365 -1.083 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.194 -13.244 0.273 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -2.761 -10.555 -0.016 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.047 -10.721 -1.195 1.00 0.00 H new ATOM 434 N SER A 30 -3.917 -13.289 -2.824 1.00 0.00 N ATOM 435 CA SER A 30 -4.317 -14.125 -3.970 1.00 0.00 C ATOM 436 C SER A 30 -3.874 -15.600 -4.034 1.00 0.00 C ATOM 437 O SER A 30 -2.852 -15.937 -3.435 1.00 0.00 O ATOM 438 CB SER A 30 -3.924 -13.303 -5.212 1.00 0.00 C ATOM 439 OG SER A 30 -2.600 -13.409 -5.711 1.00 0.00 O ATOM 0 H SER A 30 -3.377 -12.496 -3.170 1.00 0.00 H new ATOM 0 HA SER A 30 -5.386 -14.314 -3.878 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.604 -13.578 -6.018 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.108 -12.253 -4.985 1.00 0.00 H new ATOM 0 HG SER A 30 -2.311 -12.540 -6.060 1.00 0.00 H new ATOM 444 N THR A 31 -4.594 -16.443 -4.799 1.00 0.00 N ATOM 445 CA THR A 31 -4.569 -17.913 -4.891 1.00 0.00 C ATOM 446 C THR A 31 -3.299 -18.546 -5.492 1.00 0.00 C ATOM 447 O THR A 31 -3.003 -18.332 -6.670 1.00 0.00 O ATOM 448 CB THR A 31 -5.988 -18.402 -5.307 1.00 0.00 C ATOM 449 OG1 THR A 31 -6.261 -19.699 -4.766 1.00 0.00 O ATOM 450 CG2 THR A 31 -6.522 -18.410 -6.738 1.00 0.00 C ATOM 0 H THR A 31 -5.288 -16.063 -5.442 1.00 0.00 H new ATOM 0 HA THR A 31 -4.398 -18.362 -3.913 1.00 0.00 H new ATOM 0 HB THR A 31 -6.519 -17.547 -4.889 1.00 0.00 H new ATOM 0 HG1 THR A 31 -7.158 -19.985 -5.039 1.00 0.00 H new ATOM 0 HG21 THR A 31 -7.539 -18.801 -6.744 1.00 0.00 H new ATOM 0 HG22 THR A 31 -6.521 -17.394 -7.132 1.00 0.00 H new ATOM 0 HG23 THR A 31 -5.887 -19.041 -7.360 1.00 0.00 H new ATOM 458 N MET A 32 -2.421 -18.780 -4.499 1.00 0.00 N ATOM 459 CA MET A 32 -1.067 -19.358 -4.430 1.00 0.00 C ATOM 460 C MET A 32 -0.968 -20.677 -3.634 1.00 0.00 C ATOM 461 O MET A 32 -1.986 -21.137 -3.114 1.00 0.00 O ATOM 462 CB MET A 32 -0.108 -18.313 -3.829 1.00 0.00 C ATOM 463 CG MET A 32 0.917 -17.716 -4.785 1.00 0.00 C ATOM 464 SD MET A 32 2.609 -18.235 -4.428 1.00 0.00 S ATOM 465 CE MET A 32 3.445 -18.049 -6.003 1.00 0.00 C ATOM 0 H MET A 32 -2.704 -18.517 -3.555 1.00 0.00 H new ATOM 0 HA MET A 32 -0.791 -19.615 -5.453 1.00 0.00 H new ATOM 0 HB2 MET A 32 -0.703 -17.500 -3.413 1.00 0.00 H new ATOM 0 HB3 MET A 32 0.426 -18.775 -2.998 1.00 0.00 H new ATOM 0 HG2 MET A 32 0.663 -18.003 -5.805 1.00 0.00 H new ATOM 0 HG3 MET A 32 0.859 -16.629 -4.736 1.00 0.00 H new ATOM 0 HE1 MET A 32 4.490 -18.341 -5.897 1.00 0.00 H new ATOM 0 HE2 MET A 32 2.965 -18.684 -6.747 1.00 0.00 H new ATOM 0 HE3 MET A 32 3.389 -17.009 -6.324 1.00 0.00 H new ATOM 473 N SER A 33 0.159 -21.406 -3.704 1.00 0.00 N ATOM 474 CA SER A 33 0.789 -22.276 -2.690 1.00 0.00 C ATOM 475 C SER A 33 0.874 -21.819 -1.218 1.00 0.00 C ATOM 476 O SER A 33 1.165 -20.633 -1.060 1.00 0.00 O ATOM 477 CB SER A 33 2.155 -22.715 -3.269 1.00 0.00 C ATOM 478 OG SER A 33 2.135 -23.751 -4.238 1.00 0.00 O ATOM 0 H SER A 33 0.711 -21.401 -4.562 1.00 0.00 H new ATOM 0 HA SER A 33 0.089 -23.099 -2.543 1.00 0.00 H new ATOM 0 HB2 SER A 33 2.632 -21.842 -3.715 1.00 0.00 H new ATOM 0 HB3 SER A 33 2.788 -23.036 -2.441 1.00 0.00 H new ATOM 0 HG SER A 33 3.050 -23.942 -4.532 1.00 0.00 H new ATOM 483 N PRO A 34 0.303 -22.517 -0.190 1.00 0.00 N ATOM 484 CA PRO A 34 0.524 -22.298 1.268 1.00 0.00 C ATOM 485 C PRO A 34 1.873 -22.617 1.964 1.00 0.00 C ATOM 486 O PRO A 34 2.571 -23.505 1.468 1.00 0.00 O ATOM 487 CB PRO A 34 -0.811 -22.784 1.878 1.00 0.00 C ATOM 488 CG PRO A 34 -1.492 -23.706 0.939 1.00 0.00 C ATOM 489 CD PRO A 34 -1.047 -23.105 -0.368 1.00 0.00 C ATOM 0 HA PRO A 34 0.747 -21.252 1.479 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -0.625 -23.289 2.826 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -1.454 -21.931 2.093 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -1.166 -24.740 1.057 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -2.576 -23.698 1.056 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -1.027 -23.868 -1.146 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -1.752 -22.339 -0.691 1.00 0.00 H new ATOM 494 N LYS A 35 2.348 -21.758 2.896 1.00 0.00 N ATOM 495 CA LYS A 35 3.633 -21.581 3.621 1.00 0.00 C ATOM 496 C LYS A 35 4.271 -22.820 4.280 1.00 0.00 C ATOM 497 O LYS A 35 5.255 -23.269 3.683 1.00 0.00 O ATOM 498 CB LYS A 35 3.469 -20.306 4.486 1.00 0.00 C ATOM 499 CG LYS A 35 4.389 -19.513 5.424 1.00 0.00 C ATOM 500 CD LYS A 35 4.806 -20.000 6.815 1.00 0.00 C ATOM 501 CE LYS A 35 4.560 -19.028 7.952 1.00 0.00 C ATOM 502 NZ LYS A 35 3.359 -19.400 8.758 1.00 0.00 N ATOM 0 H LYS A 35 1.708 -21.031 3.217 1.00 0.00 H new ATOM 0 HA LYS A 35 4.438 -21.436 2.901 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.140 -19.556 3.766 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.611 -20.540 5.117 1.00 0.00 H new ATOM 0 HG2 LYS A 35 5.312 -19.338 4.871 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.915 -18.542 5.569 1.00 0.00 H new ATOM 0 HD2 LYS A 35 4.273 -20.926 7.031 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.868 -20.242 6.792 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.436 -18.999 8.600 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.429 -18.024 7.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 3.228 -18.709 9.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.518 -19.403 8.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 3.494 -20.347 9.165 1.00 0.00 H new ATOM 512 N ASN A 36 3.429 -23.643 4.923 1.00 0.00 N ATOM 513 CA ASN A 36 3.595 -24.708 5.925 1.00 0.00 C ATOM 514 C ASN A 36 4.845 -24.791 6.805 1.00 0.00 C ATOM 515 O ASN A 36 4.772 -24.287 7.947 1.00 0.00 O ATOM 516 CB ASN A 36 3.243 -26.078 5.302 1.00 0.00 C ATOM 517 CG ASN A 36 2.496 -27.234 5.931 1.00 0.00 C ATOM 518 OD1 ASN A 36 1.602 -27.198 6.778 1.00 0.00 O ATOM 519 ND2 ASN A 36 3.018 -28.326 5.386 1.00 0.00 N ATOM 520 OXT ASN A 36 5.943 -25.118 6.310 1.00 0.00 O ATOM 0 H ASN A 36 2.435 -23.557 4.709 1.00 0.00 H new ATOM 0 HA ASN A 36 2.884 -24.384 6.685 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.684 -25.841 4.397 1.00 0.00 H new ATOM 0 HB3 ASN A 36 4.198 -26.498 4.986 1.00 0.00 H new ATOM 0 HD21 ASN A 36 2.678 -29.247 5.664 1.00 0.00 H new ATOM 0 HD22 ASN A 36 3.759 -28.244 4.689 1.00 0.00 H new TER 526 ASN A 36