USER MOD reduce.3.24.130724 H: found=0, std=0, add=273, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 272 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 15 MET CE :methyl 176:sc= 0 (180deg=-0.0544) USER MOD Set 1.2: A 22 TYR OH : rot 179:sc= -0.54 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 150:sc= -0.543 (180deg=-2.36!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.323 K(o=-0.32,f=-2.8!) USER MOD Single : A 21 THR OG1 : rot -24:sc= 0.267 USER MOD Single : A 30 ASN : amide:sc= -0.0994 K(o=-0.099,f=-2.7!) USER MOD Single : A 31 LYS NZ :NH3+ -150:sc= -0.101 (180deg=-0.542) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -19.774 16.582 0.632 1.00 0.00 N ATOM 2 CA MET A 1 -20.453 15.618 1.543 1.00 0.00 C ATOM 3 C MET A 1 -19.434 15.050 2.533 1.00 0.00 C ATOM 4 O MET A 1 -18.692 14.141 2.220 1.00 0.00 O ATOM 5 CB MET A 1 -21.057 14.477 0.721 1.00 0.00 C ATOM 6 CG MET A 1 -20.069 14.052 -0.368 1.00 0.00 C ATOM 7 SD MET A 1 -19.743 12.277 -0.226 1.00 0.00 S ATOM 8 CE MET A 1 -21.267 11.703 -1.014 1.00 0.00 C ATOM 0 H1 MET A 1 -20.252 16.582 -0.292 1.00 0.00 H new ATOM 0 H2 MET A 1 -19.815 17.536 1.043 1.00 0.00 H new ATOM 0 H3 MET A 1 -18.780 16.301 0.507 1.00 0.00 H new ATOM 0 HA MET A 1 -21.245 16.130 2.089 1.00 0.00 H new ATOM 0 HB2 MET A 1 -21.287 13.631 1.368 1.00 0.00 H new ATOM 0 HB3 MET A 1 -21.996 14.797 0.270 1.00 0.00 H new ATOM 0 HG2 MET A 1 -20.476 14.280 -1.353 1.00 0.00 H new ATOM 0 HG3 MET A 1 -19.139 14.613 -0.270 1.00 0.00 H new ATOM 0 HE1 MET A 1 -21.278 10.613 -1.035 1.00 0.00 H new ATOM 0 HE2 MET A 1 -22.127 12.064 -0.449 1.00 0.00 H new ATOM 0 HE3 MET A 1 -21.316 12.086 -2.033 1.00 0.00 H new ATOM 20 N SER A 2 -19.393 15.578 3.727 1.00 0.00 N ATOM 21 CA SER A 2 -18.420 15.064 4.733 1.00 0.00 C ATOM 22 C SER A 2 -18.587 13.550 4.870 1.00 0.00 C ATOM 23 O SER A 2 -19.554 12.979 4.410 1.00 0.00 O ATOM 24 CB SER A 2 -18.683 15.729 6.085 1.00 0.00 C ATOM 25 OG SER A 2 -19.890 15.218 6.634 1.00 0.00 O ATOM 0 H SER A 2 -19.989 16.341 4.048 1.00 0.00 H new ATOM 0 HA SER A 2 -17.405 15.293 4.408 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.852 15.539 6.764 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.754 16.810 5.964 1.00 0.00 H new ATOM 0 HG SER A 2 -20.060 15.641 7.501 1.00 0.00 H new ATOM 31 N TRP A 3 -17.650 12.894 5.499 1.00 0.00 N ATOM 32 CA TRP A 3 -17.758 11.417 5.660 1.00 0.00 C ATOM 33 C TRP A 3 -16.516 10.884 6.378 1.00 0.00 C ATOM 34 O TRP A 3 -15.764 11.627 6.977 1.00 0.00 O ATOM 35 CB TRP A 3 -17.867 10.764 4.281 1.00 0.00 C ATOM 36 CG TRP A 3 -18.838 9.627 4.337 1.00 0.00 C ATOM 37 CD1 TRP A 3 -19.321 9.072 5.472 1.00 0.00 C ATOM 38 CD2 TRP A 3 -19.448 8.898 3.233 1.00 0.00 C ATOM 39 NE1 TRP A 3 -20.191 8.050 5.133 1.00 0.00 N ATOM 40 CE2 TRP A 3 -20.302 7.903 3.765 1.00 0.00 C ATOM 41 CE3 TRP A 3 -19.343 9.003 1.834 1.00 0.00 C ATOM 42 CZ2 TRP A 3 -21.026 7.044 2.939 1.00 0.00 C ATOM 43 CZ3 TRP A 3 -20.071 8.139 0.999 1.00 0.00 C ATOM 44 CH2 TRP A 3 -20.912 7.161 1.551 1.00 0.00 C ATOM 0 H TRP A 3 -16.816 13.316 5.907 1.00 0.00 H new ATOM 0 HA TRP A 3 -18.644 11.181 6.249 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -18.194 11.498 3.545 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -16.889 10.405 3.960 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -19.069 9.376 6.477 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -20.690 7.475 5.812 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -18.699 9.753 1.399 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -21.671 6.292 3.369 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -19.983 8.228 -0.074 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -21.470 6.500 0.905 1.00 0.00 H new ATOM 55 N ALA A 4 -16.296 9.599 6.317 1.00 0.00 N ATOM 56 CA ALA A 4 -15.106 9.008 6.989 1.00 0.00 C ATOM 57 C ALA A 4 -13.973 8.847 5.974 1.00 0.00 C ATOM 58 O ALA A 4 -13.207 7.909 6.035 1.00 0.00 O ATOM 59 CB ALA A 4 -15.475 7.638 7.559 1.00 0.00 C ATOM 0 H ALA A 4 -16.892 8.931 5.828 1.00 0.00 H new ATOM 0 HA ALA A 4 -14.780 9.665 7.796 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -14.606 7.203 8.052 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -16.283 7.750 8.282 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -15.800 6.983 6.751 1.00 0.00 H new ATOM 65 N LEU A 5 -13.859 9.751 5.036 1.00 0.00 N ATOM 66 CA LEU A 5 -12.774 9.637 4.021 1.00 0.00 C ATOM 67 C LEU A 5 -11.419 9.908 4.679 1.00 0.00 C ATOM 68 O LEU A 5 -10.397 9.428 4.234 1.00 0.00 O ATOM 69 CB LEU A 5 -13.012 10.657 2.906 1.00 0.00 C ATOM 70 CG LEU A 5 -14.060 10.115 1.935 1.00 0.00 C ATOM 71 CD1 LEU A 5 -15.018 11.239 1.535 1.00 0.00 C ATOM 72 CD2 LEU A 5 -13.359 9.572 0.688 1.00 0.00 C ATOM 0 H LEU A 5 -14.470 10.561 4.930 1.00 0.00 H new ATOM 0 HA LEU A 5 -12.776 8.630 3.603 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -13.348 11.603 3.330 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -12.080 10.858 2.377 1.00 0.00 H new ATOM 0 HG LEU A 5 -14.624 9.315 2.415 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -15.765 10.851 0.842 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -15.515 11.627 2.424 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -14.458 12.040 1.053 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -14.103 9.184 -0.008 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -12.797 10.373 0.209 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -12.677 8.771 0.974 1.00 0.00 H new ATOM 84 N GLU A 6 -11.397 10.678 5.734 1.00 0.00 N ATOM 85 CA GLU A 6 -10.101 10.975 6.408 1.00 0.00 C ATOM 86 C GLU A 6 -9.467 9.673 6.901 1.00 0.00 C ATOM 87 O GLU A 6 -8.289 9.617 7.194 1.00 0.00 O ATOM 88 CB GLU A 6 -10.346 11.906 7.597 1.00 0.00 C ATOM 89 CG GLU A 6 -11.428 11.308 8.500 1.00 0.00 C ATOM 90 CD GLU A 6 -11.602 12.188 9.739 1.00 0.00 C ATOM 91 OE1 GLU A 6 -11.701 13.393 9.577 1.00 0.00 O ATOM 92 OE2 GLU A 6 -11.634 11.642 10.830 1.00 0.00 O ATOM 0 H GLU A 6 -12.217 11.112 6.157 1.00 0.00 H new ATOM 0 HA GLU A 6 -9.428 11.458 5.700 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -9.423 12.044 8.160 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -10.655 12.890 7.244 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -12.370 11.235 7.957 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -11.152 10.296 8.796 1.00 0.00 H new ATOM 99 N MET A 7 -10.237 8.624 6.996 1.00 0.00 N ATOM 100 CA MET A 7 -9.675 7.328 7.471 1.00 0.00 C ATOM 101 C MET A 7 -9.667 6.323 6.316 1.00 0.00 C ATOM 102 O MET A 7 -8.661 5.711 6.020 1.00 0.00 O ATOM 103 CB MET A 7 -10.540 6.786 8.611 1.00 0.00 C ATOM 104 CG MET A 7 -9.755 5.733 9.395 1.00 0.00 C ATOM 105 SD MET A 7 -10.165 4.084 8.772 1.00 0.00 S ATOM 106 CE MET A 7 -8.821 3.189 9.588 1.00 0.00 C ATOM 0 H MET A 7 -11.230 8.608 6.765 1.00 0.00 H new ATOM 0 HA MET A 7 -8.656 7.481 7.828 1.00 0.00 H new ATOM 0 HB2 MET A 7 -10.838 7.599 9.273 1.00 0.00 H new ATOM 0 HB3 MET A 7 -11.455 6.349 8.211 1.00 0.00 H new ATOM 0 HG2 MET A 7 -8.685 5.914 9.297 1.00 0.00 H new ATOM 0 HG3 MET A 7 -9.994 5.802 10.456 1.00 0.00 H new ATOM 0 HE1 MET A 7 -8.883 2.130 9.336 1.00 0.00 H new ATOM 0 HE2 MET A 7 -7.863 3.586 9.252 1.00 0.00 H new ATOM 0 HE3 MET A 7 -8.906 3.311 10.668 1.00 0.00 H new ATOM 116 N ALA A 8 -10.785 6.148 5.668 1.00 0.00 N ATOM 117 CA ALA A 8 -10.850 5.181 4.536 1.00 0.00 C ATOM 118 C ALA A 8 -9.757 5.499 3.511 1.00 0.00 C ATOM 119 O ALA A 8 -9.243 4.620 2.850 1.00 0.00 O ATOM 120 CB ALA A 8 -12.220 5.278 3.862 1.00 0.00 C ATOM 0 H ALA A 8 -11.658 6.634 5.874 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.698 4.172 4.920 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -12.269 4.571 3.034 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.999 5.042 4.587 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -12.369 6.290 3.485 1.00 0.00 H new ATOM 126 N ASP A 9 -9.403 6.747 3.365 1.00 0.00 N ATOM 127 CA ASP A 9 -8.351 7.118 2.375 1.00 0.00 C ATOM 128 C ASP A 9 -7.080 6.304 2.632 1.00 0.00 C ATOM 129 O ASP A 9 -6.560 5.655 1.746 1.00 0.00 O ATOM 130 CB ASP A 9 -8.033 8.608 2.505 1.00 0.00 C ATOM 131 CG ASP A 9 -6.996 9.004 1.451 1.00 0.00 C ATOM 132 OD1 ASP A 9 -7.033 8.438 0.371 1.00 0.00 O ATOM 133 OD2 ASP A 9 -6.182 9.864 1.743 1.00 0.00 O ATOM 0 H ASP A 9 -9.798 7.528 3.890 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.716 6.905 1.370 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -8.941 9.197 2.376 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -7.653 8.824 3.503 1.00 0.00 H new ATOM 138 N THR A 10 -6.571 6.339 3.835 1.00 0.00 N ATOM 139 CA THR A 10 -5.330 5.572 4.141 1.00 0.00 C ATOM 140 C THR A 10 -5.420 4.181 3.504 1.00 0.00 C ATOM 141 O THR A 10 -4.428 3.609 3.097 1.00 0.00 O ATOM 142 CB THR A 10 -5.168 5.440 5.660 1.00 0.00 C ATOM 143 OG1 THR A 10 -3.831 5.065 5.959 1.00 0.00 O ATOM 144 CG2 THR A 10 -6.130 4.379 6.201 1.00 0.00 C ATOM 0 H THR A 10 -6.961 6.865 4.617 1.00 0.00 H new ATOM 0 HA THR A 10 -4.467 6.099 3.735 1.00 0.00 H new ATOM 0 HB THR A 10 -5.396 6.397 6.129 1.00 0.00 H new ATOM 0 HG1 THR A 10 -3.724 4.981 6.930 1.00 0.00 H new ATOM 0 HG21 THR A 10 -6.007 4.293 7.281 1.00 0.00 H new ATOM 0 HG22 THR A 10 -7.156 4.669 5.975 1.00 0.00 H new ATOM 0 HG23 THR A 10 -5.913 3.419 5.733 1.00 0.00 H new ATOM 152 N PHE A 11 -6.603 3.637 3.412 1.00 0.00 N ATOM 153 CA PHE A 11 -6.760 2.286 2.801 1.00 0.00 C ATOM 154 C PHE A 11 -6.791 2.415 1.274 1.00 0.00 C ATOM 155 O PHE A 11 -6.211 1.618 0.564 1.00 0.00 O ATOM 156 CB PHE A 11 -8.068 1.660 3.288 1.00 0.00 C ATOM 157 CG PHE A 11 -8.247 0.301 2.652 1.00 0.00 C ATOM 158 CD1 PHE A 11 -7.293 -0.701 2.863 1.00 0.00 C ATOM 159 CD2 PHE A 11 -9.371 0.042 1.857 1.00 0.00 C ATOM 160 CE1 PHE A 11 -7.460 -1.962 2.278 1.00 0.00 C ATOM 161 CE2 PHE A 11 -9.538 -1.219 1.272 1.00 0.00 C ATOM 162 CZ PHE A 11 -8.583 -2.222 1.482 1.00 0.00 C ATOM 0 H PHE A 11 -7.469 4.070 3.734 1.00 0.00 H new ATOM 0 HA PHE A 11 -5.922 1.653 3.093 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -8.056 1.566 4.374 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -8.909 2.305 3.034 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -6.428 -0.501 3.477 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -10.108 0.815 1.695 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -6.723 -2.734 2.440 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -10.404 -1.419 0.658 1.00 0.00 H new ATOM 0 HZ PHE A 11 -8.712 -3.195 1.031 1.00 0.00 H new ATOM 172 N LEU A 12 -7.461 3.414 0.763 1.00 0.00 N ATOM 173 CA LEU A 12 -7.525 3.593 -0.716 1.00 0.00 C ATOM 174 C LEU A 12 -6.166 4.070 -1.233 1.00 0.00 C ATOM 175 O LEU A 12 -5.968 4.234 -2.420 1.00 0.00 O ATOM 176 CB LEU A 12 -8.597 4.631 -1.057 1.00 0.00 C ATOM 177 CG LEU A 12 -9.849 3.924 -1.579 1.00 0.00 C ATOM 178 CD1 LEU A 12 -10.987 4.937 -1.725 1.00 0.00 C ATOM 179 CD2 LEU A 12 -9.550 3.300 -2.942 1.00 0.00 C ATOM 0 H LEU A 12 -7.967 4.114 1.307 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.777 2.643 -1.187 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.842 5.220 -0.173 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.219 5.325 -1.808 1.00 0.00 H new ATOM 0 HG LEU A 12 -10.144 3.145 -0.876 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.878 4.432 -2.097 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -11.202 5.385 -0.755 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.692 5.717 -2.427 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.442 2.796 -3.315 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.255 4.081 -3.643 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.740 2.578 -2.842 1.00 0.00 H new ATOM 191 N ASP A 13 -5.225 4.294 -0.353 1.00 0.00 N ATOM 192 CA ASP A 13 -3.881 4.757 -0.800 1.00 0.00 C ATOM 193 C ASP A 13 -3.230 3.675 -1.669 1.00 0.00 C ATOM 194 O ASP A 13 -2.573 3.966 -2.648 1.00 0.00 O ATOM 195 CB ASP A 13 -3.002 5.027 0.423 1.00 0.00 C ATOM 196 CG ASP A 13 -1.557 5.256 -0.025 1.00 0.00 C ATOM 197 OD1 ASP A 13 -1.351 6.099 -0.884 1.00 0.00 O ATOM 198 OD2 ASP A 13 -0.682 4.585 0.496 1.00 0.00 O ATOM 0 H ASP A 13 -5.330 4.176 0.655 1.00 0.00 H new ATOM 0 HA ASP A 13 -3.987 5.673 -1.381 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -3.369 5.900 0.962 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -3.051 4.184 1.112 1.00 0.00 H new ATOM 203 N ASN A 14 -3.408 2.428 -1.320 1.00 0.00 N ATOM 204 CA ASN A 14 -2.800 1.331 -2.128 1.00 0.00 C ATOM 205 C ASN A 14 -3.749 0.946 -3.266 1.00 0.00 C ATOM 206 O ASN A 14 -3.566 -0.055 -3.931 1.00 0.00 O ATOM 207 CB ASN A 14 -2.558 0.113 -1.235 1.00 0.00 C ATOM 208 CG ASN A 14 -1.215 -0.528 -1.593 1.00 0.00 C ATOM 209 OD1 ASN A 14 -0.341 0.124 -2.130 1.00 0.00 O ATOM 210 ND2 ASN A 14 -1.013 -1.788 -1.317 1.00 0.00 N ATOM 0 H ASN A 14 -3.948 2.122 -0.511 1.00 0.00 H new ATOM 0 HA ASN A 14 -1.852 1.672 -2.545 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -2.562 0.412 -0.187 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -3.363 -0.610 -1.363 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -0.122 -2.225 -1.552 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -1.746 -2.335 -0.866 1.00 0.00 H new ATOM 217 N MET A 15 -4.759 1.738 -3.496 1.00 0.00 N ATOM 218 CA MET A 15 -5.721 1.434 -4.590 1.00 0.00 C ATOM 219 C MET A 15 -5.920 2.696 -5.431 1.00 0.00 C ATOM 220 O MET A 15 -6.925 3.372 -5.331 1.00 0.00 O ATOM 221 CB MET A 15 -7.061 0.997 -3.992 1.00 0.00 C ATOM 222 CG MET A 15 -6.957 -0.450 -3.503 1.00 0.00 C ATOM 223 SD MET A 15 -8.155 -0.725 -2.173 1.00 0.00 S ATOM 224 CE MET A 15 -9.585 -1.083 -3.222 1.00 0.00 C ATOM 0 H MET A 15 -4.960 2.588 -2.969 1.00 0.00 H new ATOM 0 HA MET A 15 -5.332 0.629 -5.213 1.00 0.00 H new ATOM 0 HB2 MET A 15 -7.333 1.653 -3.165 1.00 0.00 H new ATOM 0 HB3 MET A 15 -7.850 1.083 -4.739 1.00 0.00 H new ATOM 0 HG2 MET A 15 -7.148 -1.138 -4.327 1.00 0.00 H new ATOM 0 HG3 MET A 15 -5.947 -0.653 -3.145 1.00 0.00 H new ATOM 0 HE1 MET A 15 -10.435 -1.356 -2.597 1.00 0.00 H new ATOM 0 HE2 MET A 15 -9.835 -0.200 -3.810 1.00 0.00 H new ATOM 0 HE3 MET A 15 -9.347 -1.909 -3.892 1.00 0.00 H new ATOM 234 N ARG A 16 -4.959 3.023 -6.249 1.00 0.00 N ATOM 235 CA ARG A 16 -5.074 4.245 -7.089 1.00 0.00 C ATOM 236 C ARG A 16 -5.586 3.870 -8.478 1.00 0.00 C ATOM 237 O ARG A 16 -4.895 4.019 -9.465 1.00 0.00 O ATOM 238 CB ARG A 16 -3.701 4.910 -7.209 1.00 0.00 C ATOM 239 CG ARG A 16 -3.523 5.923 -6.075 1.00 0.00 C ATOM 240 CD ARG A 16 -4.520 7.070 -6.252 1.00 0.00 C ATOM 241 NE ARG A 16 -4.415 7.610 -7.637 1.00 0.00 N ATOM 242 CZ ARG A 16 -5.260 8.513 -8.052 1.00 0.00 C ATOM 243 NH1 ARG A 16 -6.046 8.257 -9.063 1.00 0.00 N ATOM 244 NH2 ARG A 16 -5.321 9.674 -7.459 1.00 0.00 N ATOM 0 H ARG A 16 -4.096 2.494 -6.372 1.00 0.00 H new ATOM 0 HA ARG A 16 -5.775 4.939 -6.625 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.915 4.156 -7.164 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -3.610 5.409 -8.174 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -3.679 5.437 -5.112 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -2.504 6.310 -6.076 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -5.534 6.717 -6.064 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -4.317 7.858 -5.527 1.00 0.00 H new ATOM 0 HE ARG A 16 -3.682 7.273 -8.261 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -5.999 7.351 -9.529 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -6.707 8.963 -9.387 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -4.707 9.876 -6.670 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.982 10.379 -7.785 1.00 0.00 H new ATOM 258 N VAL A 17 -6.801 3.393 -8.552 1.00 0.00 N ATOM 259 CA VAL A 17 -7.395 3.010 -9.870 1.00 0.00 C ATOM 260 C VAL A 17 -6.957 1.588 -10.260 1.00 0.00 C ATOM 261 O VAL A 17 -7.019 1.209 -11.412 1.00 0.00 O ATOM 262 CB VAL A 17 -6.969 4.033 -10.946 1.00 0.00 C ATOM 263 CG1 VAL A 17 -5.813 3.493 -11.800 1.00 0.00 C ATOM 264 CG2 VAL A 17 -8.163 4.336 -11.852 1.00 0.00 C ATOM 0 H VAL A 17 -7.414 3.251 -7.749 1.00 0.00 H new ATOM 0 HA VAL A 17 -8.482 3.017 -9.792 1.00 0.00 H new ATOM 0 HB VAL A 17 -6.632 4.940 -10.444 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.536 4.236 -12.548 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.955 3.284 -11.161 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -6.126 2.576 -12.298 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.868 5.058 -12.614 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -8.497 3.417 -12.333 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -8.976 4.750 -11.256 1.00 0.00 H new ATOM 274 N GLY A 18 -6.521 0.799 -9.316 1.00 0.00 N ATOM 275 CA GLY A 18 -6.093 -0.588 -9.649 1.00 0.00 C ATOM 276 C GLY A 18 -7.300 -1.383 -10.153 1.00 0.00 C ATOM 277 O GLY A 18 -8.320 -0.812 -10.488 1.00 0.00 O ATOM 0 H GLY A 18 -6.443 1.054 -8.332 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.313 -0.567 -10.410 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -5.667 -1.070 -8.769 1.00 0.00 H new ATOM 281 N PRO A 19 -7.147 -2.682 -10.190 1.00 0.00 N ATOM 282 CA PRO A 19 -8.211 -3.594 -10.646 1.00 0.00 C ATOM 283 C PRO A 19 -9.264 -3.773 -9.548 1.00 0.00 C ATOM 284 O PRO A 19 -8.994 -3.563 -8.382 1.00 0.00 O ATOM 285 CB PRO A 19 -7.465 -4.905 -10.915 1.00 0.00 C ATOM 286 CG PRO A 19 -6.163 -4.846 -10.081 1.00 0.00 C ATOM 287 CD PRO A 19 -5.899 -3.359 -9.780 1.00 0.00 C ATOM 0 HA PRO A 19 -8.748 -3.230 -11.522 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -8.072 -5.763 -10.627 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.242 -5.014 -11.976 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -6.269 -5.415 -9.157 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -5.330 -5.283 -10.632 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -5.687 -3.198 -8.723 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -5.041 -2.985 -10.338 1.00 0.00 H new ATOM 294 N ARG A 20 -10.462 -4.157 -9.918 1.00 0.00 N ATOM 295 CA ARG A 20 -11.549 -4.355 -8.909 1.00 0.00 C ATOM 296 C ARG A 20 -12.225 -3.013 -8.599 1.00 0.00 C ATOM 297 O ARG A 20 -13.417 -2.857 -8.771 1.00 0.00 O ATOM 298 CB ARG A 20 -10.966 -4.945 -7.622 1.00 0.00 C ATOM 299 CG ARG A 20 -11.947 -5.964 -7.040 1.00 0.00 C ATOM 300 CD ARG A 20 -11.170 -7.073 -6.329 1.00 0.00 C ATOM 301 NE ARG A 20 -11.456 -8.377 -6.989 1.00 0.00 N ATOM 302 CZ ARG A 20 -12.672 -8.851 -6.997 1.00 0.00 C ATOM 303 NH1 ARG A 20 -13.622 -8.239 -6.343 1.00 0.00 N ATOM 304 NH2 ARG A 20 -12.939 -9.942 -7.663 1.00 0.00 N ATOM 0 H ARG A 20 -10.735 -4.343 -10.883 1.00 0.00 H new ATOM 0 HA ARG A 20 -12.288 -5.044 -9.317 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -10.009 -5.423 -7.829 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -10.777 -4.152 -6.899 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -12.624 -5.474 -6.340 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -12.561 -6.388 -7.834 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -10.101 -6.862 -6.362 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -11.454 -7.115 -5.277 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.702 -8.900 -7.435 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -13.415 -7.386 -5.823 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -14.571 -8.614 -6.352 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -12.198 -10.421 -8.175 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -13.888 -10.315 -7.671 1.00 0.00 H new ATOM 318 N THR A 21 -11.474 -2.046 -8.144 1.00 0.00 N ATOM 319 CA THR A 21 -12.071 -0.715 -7.822 1.00 0.00 C ATOM 320 C THR A 21 -13.195 -0.882 -6.795 1.00 0.00 C ATOM 321 O THR A 21 -13.177 -1.784 -5.982 1.00 0.00 O ATOM 322 CB THR A 21 -12.630 -0.082 -9.098 1.00 0.00 C ATOM 323 OG1 THR A 21 -13.882 -0.675 -9.414 1.00 0.00 O ATOM 324 CG2 THR A 21 -11.648 -0.308 -10.248 1.00 0.00 C ATOM 0 H THR A 21 -10.470 -2.120 -7.981 1.00 0.00 H new ATOM 0 HA THR A 21 -11.299 -0.068 -7.404 1.00 0.00 H new ATOM 0 HB THR A 21 -12.768 0.988 -8.944 1.00 0.00 H new ATOM 0 HG1 THR A 21 -13.932 -1.567 -9.012 1.00 0.00 H new ATOM 0 HG21 THR A 21 -12.044 0.142 -11.158 1.00 0.00 H new ATOM 0 HG22 THR A 21 -10.690 0.151 -10.004 1.00 0.00 H new ATOM 0 HG23 THR A 21 -11.509 -1.378 -10.403 1.00 0.00 H new ATOM 332 N TYR A 22 -14.170 -0.011 -6.820 1.00 0.00 N ATOM 333 CA TYR A 22 -15.289 -0.114 -5.838 1.00 0.00 C ATOM 334 C TYR A 22 -16.633 0.003 -6.562 1.00 0.00 C ATOM 335 O TYR A 22 -17.410 -0.924 -6.574 1.00 0.00 O ATOM 336 CB TYR A 22 -15.175 1.017 -4.813 1.00 0.00 C ATOM 337 CG TYR A 22 -14.371 0.554 -3.621 1.00 0.00 C ATOM 338 CD1 TYR A 22 -14.837 -0.501 -2.827 1.00 0.00 C ATOM 339 CD2 TYR A 22 -13.161 1.185 -3.307 1.00 0.00 C ATOM 340 CE1 TYR A 22 -14.092 -0.925 -1.719 1.00 0.00 C ATOM 341 CE2 TYR A 22 -12.417 0.761 -2.199 1.00 0.00 C ATOM 342 CZ TYR A 22 -12.882 -0.294 -1.406 1.00 0.00 C ATOM 343 OH TYR A 22 -12.148 -0.712 -0.314 1.00 0.00 O ATOM 0 H TYR A 22 -14.239 0.766 -7.477 1.00 0.00 H new ATOM 0 HA TYR A 22 -15.231 -1.079 -5.335 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -14.699 1.885 -5.268 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -16.169 1.330 -4.493 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -15.770 -0.988 -3.069 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -12.802 1.999 -3.919 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -14.451 -1.739 -1.106 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -11.484 1.248 -1.956 1.00 0.00 H new ATOM 0 HH TYR A 22 -11.327 -0.180 -0.248 1.00 0.00 H new ATOM 353 N ALA A 23 -16.901 1.148 -7.145 1.00 0.00 N ATOM 354 CA ALA A 23 -18.195 1.386 -7.870 1.00 0.00 C ATOM 355 C ALA A 23 -18.865 0.080 -8.288 1.00 0.00 C ATOM 356 O ALA A 23 -20.044 -0.128 -8.076 1.00 0.00 O ATOM 357 CB ALA A 23 -17.924 2.229 -9.117 1.00 0.00 C ATOM 0 H ALA A 23 -16.265 1.945 -7.150 1.00 0.00 H new ATOM 0 HA ALA A 23 -18.868 1.906 -7.189 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -18.860 2.405 -9.648 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -17.488 3.184 -8.823 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -17.231 1.700 -9.770 1.00 0.00 H new ATOM 363 N ASP A 24 -18.122 -0.787 -8.886 1.00 0.00 N ATOM 364 CA ASP A 24 -18.695 -2.087 -9.344 1.00 0.00 C ATOM 365 C ASP A 24 -19.160 -2.920 -8.145 1.00 0.00 C ATOM 366 O ASP A 24 -20.340 -3.035 -7.880 1.00 0.00 O ATOM 367 CB ASP A 24 -17.635 -2.865 -10.130 1.00 0.00 C ATOM 368 CG ASP A 24 -18.298 -3.587 -11.306 1.00 0.00 C ATOM 369 OD1 ASP A 24 -19.227 -3.033 -11.868 1.00 0.00 O ATOM 370 OD2 ASP A 24 -17.864 -4.683 -11.622 1.00 0.00 O ATOM 0 H ASP A 24 -17.130 -0.660 -9.085 1.00 0.00 H new ATOM 0 HA ASP A 24 -19.554 -1.886 -9.985 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -16.865 -2.185 -10.495 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -17.141 -3.586 -9.479 1.00 0.00 H new ATOM 375 N VAL A 25 -18.247 -3.513 -7.426 1.00 0.00 N ATOM 376 CA VAL A 25 -18.645 -4.348 -6.256 1.00 0.00 C ATOM 377 C VAL A 25 -19.713 -3.620 -5.431 1.00 0.00 C ATOM 378 O VAL A 25 -20.750 -4.166 -5.119 1.00 0.00 O ATOM 379 CB VAL A 25 -17.416 -4.616 -5.386 1.00 0.00 C ATOM 380 CG1 VAL A 25 -17.759 -5.660 -4.322 1.00 0.00 C ATOM 381 CG2 VAL A 25 -16.278 -5.143 -6.265 1.00 0.00 C ATOM 0 H VAL A 25 -17.243 -3.456 -7.597 1.00 0.00 H new ATOM 0 HA VAL A 25 -19.056 -5.293 -6.611 1.00 0.00 H new ATOM 0 HB VAL A 25 -17.107 -3.691 -4.900 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -16.882 -5.850 -3.703 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -18.571 -5.289 -3.697 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -18.068 -6.586 -4.807 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -15.400 -5.335 -5.648 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -16.591 -6.068 -6.749 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -16.032 -4.401 -7.025 1.00 0.00 H new ATOM 391 N ARG A 26 -19.464 -2.394 -5.070 1.00 0.00 N ATOM 392 CA ARG A 26 -20.458 -1.634 -4.259 1.00 0.00 C ATOM 393 C ARG A 26 -21.849 -1.735 -4.892 1.00 0.00 C ATOM 394 O ARG A 26 -22.828 -1.989 -4.220 1.00 0.00 O ATOM 395 CB ARG A 26 -20.036 -0.164 -4.197 1.00 0.00 C ATOM 396 CG ARG A 26 -19.795 0.240 -2.740 1.00 0.00 C ATOM 397 CD ARG A 26 -20.179 1.708 -2.547 1.00 0.00 C ATOM 398 NE ARG A 26 -21.563 1.793 -1.997 1.00 0.00 N ATOM 399 CZ ARG A 26 -21.857 1.197 -0.875 1.00 0.00 C ATOM 400 NH1 ARG A 26 -22.375 -0.001 -0.888 1.00 0.00 N ATOM 401 NH2 ARG A 26 -21.635 1.799 0.262 1.00 0.00 N ATOM 0 H ARG A 26 -18.613 -1.882 -5.302 1.00 0.00 H new ATOM 0 HA ARG A 26 -20.495 -2.056 -3.255 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -19.129 -0.010 -4.782 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -20.810 0.466 -4.636 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -20.384 -0.391 -2.074 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -18.748 0.090 -2.478 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -19.477 2.192 -1.869 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -20.121 2.238 -3.498 1.00 0.00 H new ATOM 0 HE ARG A 26 -22.280 2.317 -2.499 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -22.550 -0.471 -1.776 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -22.605 -0.467 -0.010 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -21.232 2.736 0.273 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -21.865 1.333 1.139 1.00 0.00 H new ATOM 415 N ASP A 27 -21.947 -1.524 -6.177 1.00 0.00 N ATOM 416 CA ASP A 27 -23.279 -1.594 -6.847 1.00 0.00 C ATOM 417 C ASP A 27 -23.887 -2.988 -6.689 1.00 0.00 C ATOM 418 O ASP A 27 -25.091 -3.140 -6.621 1.00 0.00 O ATOM 419 CB ASP A 27 -23.118 -1.271 -8.334 1.00 0.00 C ATOM 420 CG ASP A 27 -24.307 -0.432 -8.805 1.00 0.00 C ATOM 421 OD1 ASP A 27 -25.197 -0.201 -8.004 1.00 0.00 O ATOM 422 OD2 ASP A 27 -24.306 -0.034 -9.959 1.00 0.00 O ATOM 0 H ASP A 27 -21.163 -1.306 -6.792 1.00 0.00 H new ATOM 0 HA ASP A 27 -23.945 -0.868 -6.381 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -22.188 -0.728 -8.501 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -23.057 -2.193 -8.913 1.00 0.00 H new ATOM 427 N GLU A 28 -23.082 -4.013 -6.633 1.00 0.00 N ATOM 428 CA GLU A 28 -23.656 -5.378 -6.482 1.00 0.00 C ATOM 429 C GLU A 28 -24.398 -5.457 -5.149 1.00 0.00 C ATOM 430 O GLU A 28 -25.400 -6.141 -5.024 1.00 0.00 O ATOM 431 CB GLU A 28 -22.534 -6.433 -6.570 1.00 0.00 C ATOM 432 CG GLU A 28 -22.054 -6.851 -5.173 1.00 0.00 C ATOM 433 CD GLU A 28 -21.072 -8.017 -5.300 1.00 0.00 C ATOM 434 OE1 GLU A 28 -20.464 -8.142 -6.351 1.00 0.00 O ATOM 435 OE2 GLU A 28 -20.944 -8.764 -4.344 1.00 0.00 O ATOM 0 H GLU A 28 -22.064 -3.966 -6.685 1.00 0.00 H new ATOM 0 HA GLU A 28 -24.363 -5.582 -7.286 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -22.896 -7.308 -7.110 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -21.697 -6.030 -7.140 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -21.573 -6.009 -4.675 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -22.904 -7.143 -4.557 1.00 0.00 H new ATOM 442 N ILE A 29 -23.936 -4.744 -4.153 1.00 0.00 N ATOM 443 CA ILE A 29 -24.644 -4.777 -2.840 1.00 0.00 C ATOM 444 C ILE A 29 -25.918 -3.924 -2.895 1.00 0.00 C ATOM 445 O ILE A 29 -26.455 -3.526 -1.880 1.00 0.00 O ATOM 446 CB ILE A 29 -23.726 -4.250 -1.738 1.00 0.00 C ATOM 447 CG1 ILE A 29 -22.303 -4.760 -1.972 1.00 0.00 C ATOM 448 CG2 ILE A 29 -24.227 -4.745 -0.382 1.00 0.00 C ATOM 449 CD1 ILE A 29 -21.437 -4.430 -0.754 1.00 0.00 C ATOM 0 H ILE A 29 -23.109 -4.148 -4.192 1.00 0.00 H new ATOM 0 HA ILE A 29 -24.918 -5.809 -2.622 1.00 0.00 H new ATOM 0 HB ILE A 29 -23.728 -3.160 -1.752 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -22.314 -5.836 -2.143 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -21.883 -4.300 -2.866 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -23.574 -4.370 0.406 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -25.242 -4.383 -0.215 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -24.224 -5.835 -0.369 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -20.423 -4.793 -0.920 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -21.416 -3.351 -0.604 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -21.855 -4.911 0.130 1.00 0.00 H new ATOM 461 N ASN A 30 -26.412 -3.658 -4.069 1.00 0.00 N ATOM 462 CA ASN A 30 -27.653 -2.858 -4.209 1.00 0.00 C ATOM 463 C ASN A 30 -28.796 -3.800 -4.589 1.00 0.00 C ATOM 464 O ASN A 30 -29.731 -3.991 -3.836 1.00 0.00 O ATOM 465 CB ASN A 30 -27.460 -1.807 -5.303 1.00 0.00 C ATOM 466 CG ASN A 30 -26.556 -0.690 -4.781 1.00 0.00 C ATOM 467 OD1 ASN A 30 -25.568 -0.948 -4.123 1.00 0.00 O ATOM 468 ND2 ASN A 30 -26.855 0.552 -5.050 1.00 0.00 N ATOM 0 H ASN A 30 -26.001 -3.967 -4.950 1.00 0.00 H new ATOM 0 HA ASN A 30 -27.885 -2.353 -3.271 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -27.017 -2.264 -6.188 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -28.425 -1.398 -5.604 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -26.259 1.306 -4.708 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -27.685 0.769 -5.603 1.00 0.00 H new ATOM 475 N LYS A 31 -28.728 -4.402 -5.747 1.00 0.00 N ATOM 476 CA LYS A 31 -29.809 -5.337 -6.157 1.00 0.00 C ATOM 477 C LYS A 31 -29.195 -6.623 -6.724 1.00 0.00 C ATOM 478 O LYS A 31 -29.759 -7.253 -7.596 1.00 0.00 O ATOM 479 CB LYS A 31 -30.686 -4.675 -7.224 1.00 0.00 C ATOM 480 CG LYS A 31 -32.156 -4.770 -6.807 1.00 0.00 C ATOM 481 CD LYS A 31 -33.045 -4.220 -7.925 1.00 0.00 C ATOM 482 CE LYS A 31 -34.307 -5.078 -8.049 1.00 0.00 C ATOM 483 NZ LYS A 31 -33.942 -6.430 -8.558 1.00 0.00 N ATOM 0 H LYS A 31 -27.973 -4.286 -6.422 1.00 0.00 H new ATOM 0 HA LYS A 31 -30.419 -5.582 -5.288 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -30.399 -3.631 -7.349 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -30.538 -5.164 -8.187 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -32.418 -5.807 -6.597 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -32.321 -4.207 -5.888 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -33.316 -3.186 -7.712 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -32.500 -4.219 -8.869 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -34.798 -5.163 -7.080 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -35.017 -4.603 -8.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -34.735 -6.820 -9.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -33.102 -6.357 -9.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -33.734 -7.059 -7.756 1.00 0.00 H new ATOM 497 N ARG A 32 -28.047 -7.026 -6.235 1.00 0.00 N ATOM 498 CA ARG A 32 -27.427 -8.276 -6.756 1.00 0.00 C ATOM 499 C ARG A 32 -28.375 -9.446 -6.516 1.00 0.00 C ATOM 500 O ARG A 32 -29.229 -9.748 -7.325 1.00 0.00 O ATOM 501 CB ARG A 32 -26.095 -8.527 -6.043 1.00 0.00 C ATOM 502 CG ARG A 32 -25.552 -9.902 -6.440 1.00 0.00 C ATOM 503 CD ARG A 32 -24.237 -10.161 -5.704 1.00 0.00 C ATOM 504 NE ARG A 32 -23.645 -11.440 -6.189 1.00 0.00 N ATOM 505 CZ ARG A 32 -23.086 -11.493 -7.367 1.00 0.00 C ATOM 506 NH1 ARG A 32 -22.253 -10.560 -7.736 1.00 0.00 N ATOM 507 NH2 ARG A 32 -23.361 -12.480 -8.175 1.00 0.00 N ATOM 0 H ARG A 32 -27.520 -6.546 -5.505 1.00 0.00 H new ATOM 0 HA ARG A 32 -27.242 -8.175 -7.825 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -25.377 -7.751 -6.308 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -26.234 -8.477 -4.963 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -26.278 -10.677 -6.194 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -25.393 -9.945 -7.517 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -23.543 -9.338 -5.875 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -24.412 -10.212 -4.629 1.00 0.00 H new ATOM 0 HE ARG A 32 -23.677 -12.273 -5.601 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -22.038 -9.789 -7.104 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -21.816 -10.601 -8.657 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -24.013 -13.210 -7.886 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -22.924 -12.522 -9.096 1.00 0.00 H new ATOM 521 N GLY A 33 -28.229 -10.101 -5.410 1.00 0.00 N ATOM 522 CA GLY A 33 -29.116 -11.257 -5.097 1.00 0.00 C ATOM 523 C GLY A 33 -28.262 -12.498 -4.827 1.00 0.00 C ATOM 524 O GLY A 33 -27.637 -12.617 -3.793 1.00 0.00 O ATOM 0 H GLY A 33 -27.529 -9.889 -4.699 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -29.733 -11.031 -4.227 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -29.795 -11.444 -5.929 1.00 0.00 H new ATOM 528 N ARG A 34 -28.232 -13.422 -5.747 1.00 0.00 N ATOM 529 CA ARG A 34 -27.419 -14.655 -5.539 1.00 0.00 C ATOM 530 C ARG A 34 -25.949 -14.354 -5.835 1.00 0.00 C ATOM 531 O ARG A 34 -25.647 -13.213 -6.145 1.00 0.00 O ATOM 532 CB ARG A 34 -27.913 -15.758 -6.477 1.00 0.00 C ATOM 533 CG ARG A 34 -28.176 -15.169 -7.865 1.00 0.00 C ATOM 534 CD ARG A 34 -27.990 -16.256 -8.924 1.00 0.00 C ATOM 535 NE ARG A 34 -27.349 -15.665 -10.133 1.00 0.00 N ATOM 536 CZ ARG A 34 -27.607 -16.155 -11.314 1.00 0.00 C ATOM 537 NH1 ARG A 34 -28.211 -15.421 -12.206 1.00 0.00 N ATOM 538 NH2 ARG A 34 -27.258 -17.379 -11.603 1.00 0.00 N ATOM 539 OXT ARG A 34 -25.147 -15.270 -5.746 1.00 0.00 O ATOM 0 H ARG A 34 -28.735 -13.378 -6.633 1.00 0.00 H new ATOM 0 HA ARG A 34 -27.521 -14.986 -4.505 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -27.171 -16.553 -6.543 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -28.825 -16.205 -6.081 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -29.188 -14.767 -7.915 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -27.494 -14.340 -8.055 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -27.372 -17.062 -8.529 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -28.954 -16.692 -9.186 1.00 0.00 H new ATOM 0 HE ARG A 34 -26.708 -14.877 -10.037 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -28.482 -14.464 -11.980 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -28.413 -15.804 -13.130 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -26.784 -17.952 -10.905 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -27.460 -17.762 -12.526 1.00 0.00 H new TER 553 ARG A 34