USER MOD reduce.3.24.130724 H: found=0, std=0, add=273, rem=0, adj=5 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -131:sc= 0.0151 (180deg=-0.188) 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 67:sc= 1.17 USER MOD Single : A 14 ASN : amide:sc= -0.27 X(o=-0.27,f=-0.49) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot -49:sc= 0.623 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.486 K(o=-0.49,f=-1.5) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.364 13.298 -3.983 1.00 0.00 N ATOM 2 CA MET A 1 -12.637 12.565 -3.740 1.00 0.00 C ATOM 3 C MET A 1 -13.254 13.029 -2.420 1.00 0.00 C ATOM 4 O MET A 1 -12.561 13.440 -1.510 1.00 0.00 O ATOM 5 CB MET A 1 -12.356 11.064 -3.669 1.00 0.00 C ATOM 6 CG MET A 1 -11.757 10.594 -4.996 1.00 0.00 C ATOM 7 SD MET A 1 -12.559 9.053 -5.507 1.00 0.00 S ATOM 8 CE MET A 1 -12.753 9.466 -7.257 1.00 0.00 C ATOM 0 H1 MET A 1 -11.361 13.677 -4.952 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.280 14.082 -3.305 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.561 12.648 -3.863 1.00 0.00 H new ATOM 0 HA MET A 1 -13.331 12.768 -4.555 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.668 10.850 -2.851 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.277 10.520 -3.461 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.894 11.359 -5.760 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.683 10.440 -4.888 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.237 8.638 -7.775 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.366 10.362 -7.354 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.773 9.647 -7.699 1.00 0.00 H new ATOM 20 N SER A 2 -14.552 12.967 -2.309 1.00 0.00 N ATOM 21 CA SER A 2 -15.215 13.402 -1.047 1.00 0.00 C ATOM 22 C SER A 2 -15.988 12.227 -0.445 1.00 0.00 C ATOM 23 O SER A 2 -17.079 12.386 0.067 1.00 0.00 O ATOM 24 CB SER A 2 -16.184 14.547 -1.350 1.00 0.00 C ATOM 25 OG SER A 2 -15.932 15.626 -0.461 1.00 0.00 O ATOM 0 H SER A 2 -15.183 12.634 -3.038 1.00 0.00 H new ATOM 0 HA SER A 2 -14.460 13.741 -0.338 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.064 14.876 -2.382 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.213 14.205 -1.242 1.00 0.00 H new ATOM 0 HG SER A 2 -16.551 16.361 -0.655 1.00 0.00 H new ATOM 31 N TRP A 3 -15.437 11.047 -0.508 1.00 0.00 N ATOM 32 CA TRP A 3 -16.144 9.864 0.054 1.00 0.00 C ATOM 33 C TRP A 3 -15.396 9.345 1.290 1.00 0.00 C ATOM 34 O TRP A 3 -14.960 8.212 1.322 1.00 0.00 O ATOM 35 CB TRP A 3 -16.193 8.761 -1.004 1.00 0.00 C ATOM 36 CG TRP A 3 -17.243 9.094 -2.016 1.00 0.00 C ATOM 37 CD1 TRP A 3 -18.557 9.265 -1.741 1.00 0.00 C ATOM 38 CD2 TRP A 3 -17.092 9.300 -3.449 1.00 0.00 C ATOM 39 NE1 TRP A 3 -19.223 9.565 -2.916 1.00 0.00 N ATOM 40 CE2 TRP A 3 -18.363 9.598 -3.997 1.00 0.00 C ATOM 41 CE3 TRP A 3 -15.989 9.260 -4.320 1.00 0.00 C ATOM 42 CZ2 TRP A 3 -18.533 9.845 -5.360 1.00 0.00 C ATOM 43 CZ3 TRP A 3 -16.155 9.508 -5.693 1.00 0.00 C ATOM 44 CH2 TRP A 3 -17.424 9.800 -6.211 1.00 0.00 C ATOM 0 H TRP A 3 -14.527 10.851 -0.925 1.00 0.00 H new ATOM 0 HA TRP A 3 -17.155 10.152 0.341 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -15.222 8.663 -1.489 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -16.414 7.802 -0.536 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -19.011 9.181 -0.765 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -20.226 9.740 -2.977 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -15.007 9.037 -3.931 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -19.513 10.069 -5.754 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -15.300 9.473 -6.352 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -17.546 9.990 -7.267 1.00 0.00 H new ATOM 55 N ALA A 4 -15.236 10.153 2.312 1.00 0.00 N ATOM 56 CA ALA A 4 -14.513 9.672 3.522 1.00 0.00 C ATOM 57 C ALA A 4 -13.114 9.204 3.121 1.00 0.00 C ATOM 58 O ALA A 4 -12.579 8.279 3.689 1.00 0.00 O ATOM 59 CB ALA A 4 -15.282 8.502 4.140 1.00 0.00 C ATOM 0 H ALA A 4 -15.573 11.115 2.357 1.00 0.00 H new ATOM 0 HA ALA A 4 -14.434 10.481 4.248 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -14.755 8.148 5.026 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -16.282 8.832 4.420 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -15.357 7.692 3.414 1.00 0.00 H new ATOM 65 N LEU A 5 -12.517 9.831 2.144 1.00 0.00 N ATOM 66 CA LEU A 5 -11.153 9.405 1.722 1.00 0.00 C ATOM 67 C LEU A 5 -10.146 9.758 2.819 1.00 0.00 C ATOM 68 O LEU A 5 -9.082 9.177 2.906 1.00 0.00 O ATOM 69 CB LEU A 5 -10.771 10.118 0.422 1.00 0.00 C ATOM 70 CG LEU A 5 -9.593 9.393 -0.231 1.00 0.00 C ATOM 71 CD1 LEU A 5 -10.065 8.048 -0.790 1.00 0.00 C ATOM 72 CD2 LEU A 5 -9.036 10.247 -1.371 1.00 0.00 C ATOM 0 H LEU A 5 -12.912 10.614 1.623 1.00 0.00 H new ATOM 0 HA LEU A 5 -11.144 8.328 1.556 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -11.622 10.137 -0.258 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -10.505 11.155 0.628 1.00 0.00 H new ATOM 0 HG LEU A 5 -8.815 9.225 0.514 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -9.225 7.532 -1.255 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -10.463 7.437 0.020 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -10.844 8.216 -1.534 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -8.197 9.730 -1.836 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -9.816 10.415 -2.114 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -8.698 11.205 -0.976 1.00 0.00 H new ATOM 84 N GLU A 6 -10.473 10.699 3.664 1.00 0.00 N ATOM 85 CA GLU A 6 -9.533 11.074 4.757 1.00 0.00 C ATOM 86 C GLU A 6 -9.289 9.851 5.644 1.00 0.00 C ATOM 87 O GLU A 6 -8.167 9.434 5.851 1.00 0.00 O ATOM 88 CB GLU A 6 -10.140 12.205 5.591 1.00 0.00 C ATOM 89 CG GLU A 6 -10.061 13.516 4.807 1.00 0.00 C ATOM 90 CD GLU A 6 -10.536 14.671 5.692 1.00 0.00 C ATOM 91 OE1 GLU A 6 -11.466 14.463 6.456 1.00 0.00 O ATOM 92 OE2 GLU A 6 -9.964 15.743 5.590 1.00 0.00 O ATOM 0 H GLU A 6 -11.348 11.222 3.644 1.00 0.00 H new ATOM 0 HA GLU A 6 -8.588 11.414 4.332 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -11.178 11.976 5.833 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -9.606 12.301 6.536 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -9.037 13.694 4.478 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -10.678 13.453 3.911 1.00 0.00 H new ATOM 99 N MET A 7 -10.337 9.266 6.157 1.00 0.00 N ATOM 100 CA MET A 7 -10.177 8.059 7.017 1.00 0.00 C ATOM 101 C MET A 7 -9.872 6.857 6.121 1.00 0.00 C ATOM 102 O MET A 7 -8.896 6.163 6.300 1.00 0.00 O ATOM 103 CB MET A 7 -11.477 7.816 7.785 1.00 0.00 C ATOM 104 CG MET A 7 -11.174 7.694 9.281 1.00 0.00 C ATOM 105 SD MET A 7 -10.668 5.997 9.658 1.00 0.00 S ATOM 106 CE MET A 7 -9.123 6.405 10.507 1.00 0.00 C ATOM 0 H MET A 7 -11.300 9.573 6.017 1.00 0.00 H new ATOM 0 HA MET A 7 -9.362 8.204 7.727 1.00 0.00 H new ATOM 0 HB2 MET A 7 -12.173 8.636 7.610 1.00 0.00 H new ATOM 0 HB3 MET A 7 -11.959 6.907 7.426 1.00 0.00 H new ATOM 0 HG2 MET A 7 -10.384 8.391 9.561 1.00 0.00 H new ATOM 0 HG3 MET A 7 -12.055 7.960 9.864 1.00 0.00 H new ATOM 0 HE1 MET A 7 -8.633 5.487 10.833 1.00 0.00 H new ATOM 0 HE2 MET A 7 -8.465 6.945 9.826 1.00 0.00 H new ATOM 0 HE3 MET A 7 -9.338 7.029 11.375 1.00 0.00 H new ATOM 116 N ALA A 8 -10.706 6.628 5.146 1.00 0.00 N ATOM 117 CA ALA A 8 -10.493 5.496 4.195 1.00 0.00 C ATOM 118 C ALA A 8 -9.029 5.460 3.750 1.00 0.00 C ATOM 119 O ALA A 8 -8.513 4.425 3.375 1.00 0.00 O ATOM 120 CB ALA A 8 -11.391 5.689 2.971 1.00 0.00 C ATOM 0 H ALA A 8 -11.541 7.185 4.963 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.741 4.557 4.690 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -11.239 4.865 2.274 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.435 5.710 3.285 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -11.140 6.630 2.481 1.00 0.00 H new ATOM 126 N ASP A 9 -8.370 6.590 3.755 1.00 0.00 N ATOM 127 CA ASP A 9 -6.949 6.639 3.300 1.00 0.00 C ATOM 128 C ASP A 9 -6.197 5.388 3.772 1.00 0.00 C ATOM 129 O ASP A 9 -5.338 4.885 3.075 1.00 0.00 O ATOM 130 CB ASP A 9 -6.275 7.880 3.886 1.00 0.00 C ATOM 131 CG ASP A 9 -4.928 8.100 3.196 1.00 0.00 C ATOM 132 OD1 ASP A 9 -4.864 7.911 1.993 1.00 0.00 O ATOM 133 OD2 ASP A 9 -3.983 8.452 3.883 1.00 0.00 O ATOM 0 H ASP A 9 -8.757 7.484 4.056 1.00 0.00 H new ATOM 0 HA ASP A 9 -6.926 6.679 2.211 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -6.913 8.753 3.749 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -6.130 7.756 4.959 1.00 0.00 H new ATOM 138 N THR A 10 -6.527 4.889 4.943 1.00 0.00 N ATOM 139 CA THR A 10 -5.867 3.654 5.481 1.00 0.00 C ATOM 140 C THR A 10 -6.429 2.424 4.754 1.00 0.00 C ATOM 141 O THR A 10 -6.984 1.530 5.361 1.00 0.00 O ATOM 142 CB THR A 10 -6.157 3.530 6.979 1.00 0.00 C ATOM 143 OG1 THR A 10 -7.518 3.174 7.170 1.00 0.00 O ATOM 144 CG2 THR A 10 -5.874 4.867 7.666 1.00 0.00 C ATOM 0 H THR A 10 -7.236 5.292 5.556 1.00 0.00 H new ATOM 0 HA THR A 10 -4.790 3.718 5.323 1.00 0.00 H new ATOM 0 HB THR A 10 -5.518 2.760 7.411 1.00 0.00 H new ATOM 0 HG1 THR A 10 -7.670 2.269 6.827 1.00 0.00 H new ATOM 0 HG21 THR A 10 -6.080 4.779 8.733 1.00 0.00 H new ATOM 0 HG22 THR A 10 -4.828 5.137 7.520 1.00 0.00 H new ATOM 0 HG23 THR A 10 -6.512 5.639 7.236 1.00 0.00 H new ATOM 152 N PHE A 11 -6.311 2.391 3.462 1.00 0.00 N ATOM 153 CA PHE A 11 -6.847 1.264 2.664 1.00 0.00 C ATOM 154 C PHE A 11 -6.935 1.761 1.225 1.00 0.00 C ATOM 155 O PHE A 11 -6.203 1.338 0.354 1.00 0.00 O ATOM 156 CB PHE A 11 -8.243 0.893 3.173 1.00 0.00 C ATOM 157 CG PHE A 11 -8.222 -0.499 3.759 1.00 0.00 C ATOM 158 CD1 PHE A 11 -7.539 -1.529 3.100 1.00 0.00 C ATOM 159 CD2 PHE A 11 -8.889 -0.759 4.962 1.00 0.00 C ATOM 160 CE1 PHE A 11 -7.525 -2.819 3.645 1.00 0.00 C ATOM 161 CE2 PHE A 11 -8.873 -2.049 5.508 1.00 0.00 C ATOM 162 CZ PHE A 11 -8.191 -3.078 4.849 1.00 0.00 C ATOM 0 H PHE A 11 -5.853 3.118 2.912 1.00 0.00 H new ATOM 0 HA PHE A 11 -6.212 0.381 2.740 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -8.567 1.610 3.927 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -8.963 0.942 2.356 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -7.024 -1.329 2.172 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -9.416 0.035 5.469 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -7.000 -3.614 3.136 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -9.387 -2.249 6.437 1.00 0.00 H new ATOM 0 HZ PHE A 11 -8.178 -4.073 5.269 1.00 0.00 H new ATOM 172 N LEU A 12 -7.813 2.699 0.989 1.00 0.00 N ATOM 173 CA LEU A 12 -7.946 3.286 -0.370 1.00 0.00 C ATOM 174 C LEU A 12 -6.781 4.256 -0.631 1.00 0.00 C ATOM 175 O LEU A 12 -6.767 4.961 -1.620 1.00 0.00 O ATOM 176 CB LEU A 12 -9.268 4.049 -0.460 1.00 0.00 C ATOM 177 CG LEU A 12 -10.164 3.388 -1.511 1.00 0.00 C ATOM 178 CD1 LEU A 12 -10.662 2.041 -0.984 1.00 0.00 C ATOM 179 CD2 LEU A 12 -11.363 4.293 -1.802 1.00 0.00 C ATOM 0 H LEU A 12 -8.448 3.085 1.688 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.927 2.489 -1.114 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -9.766 4.052 0.509 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.083 5.090 -0.726 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.593 3.233 -2.427 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.300 1.571 -1.732 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -9.810 1.394 -0.776 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.232 2.197 -0.068 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -12.001 3.822 -2.550 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -11.932 4.448 -0.886 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -11.011 5.254 -2.178 1.00 0.00 H new ATOM 191 N ASP A 13 -5.817 4.327 0.263 1.00 0.00 N ATOM 192 CA ASP A 13 -4.684 5.282 0.070 1.00 0.00 C ATOM 193 C ASP A 13 -4.233 5.304 -1.393 1.00 0.00 C ATOM 194 O ASP A 13 -4.348 6.310 -2.065 1.00 0.00 O ATOM 195 CB ASP A 13 -3.509 4.850 0.952 1.00 0.00 C ATOM 196 CG ASP A 13 -2.914 6.075 1.648 1.00 0.00 C ATOM 197 OD1 ASP A 13 -2.355 6.911 0.958 1.00 0.00 O ATOM 198 OD2 ASP A 13 -3.028 6.155 2.860 1.00 0.00 O ATOM 0 H ASP A 13 -5.770 3.765 1.113 1.00 0.00 H new ATOM 0 HA ASP A 13 -5.019 6.282 0.346 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -3.845 4.125 1.693 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -2.748 4.358 0.346 1.00 0.00 H new ATOM 203 N ASN A 14 -3.718 4.218 -1.899 1.00 0.00 N ATOM 204 CA ASN A 14 -3.264 4.221 -3.321 1.00 0.00 C ATOM 205 C ASN A 14 -3.743 2.958 -4.049 1.00 0.00 C ATOM 206 O ASN A 14 -3.334 2.688 -5.160 1.00 0.00 O ATOM 207 CB ASN A 14 -1.736 4.289 -3.363 1.00 0.00 C ATOM 208 CG ASN A 14 -1.301 5.722 -3.672 1.00 0.00 C ATOM 209 OD1 ASN A 14 -2.025 6.661 -3.405 1.00 0.00 O ATOM 210 ND2 ASN A 14 -0.139 5.933 -4.228 1.00 0.00 N ATOM 0 H ASN A 14 -3.592 3.338 -1.398 1.00 0.00 H new ATOM 0 HA ASN A 14 -3.690 5.090 -3.823 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -1.320 3.969 -2.408 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -1.351 3.608 -4.122 1.00 0.00 H new ATOM 0 HD21 ASN A 14 0.161 6.885 -4.438 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.469 5.146 -4.452 1.00 0.00 H new ATOM 217 N MET A 15 -4.604 2.183 -3.447 1.00 0.00 N ATOM 218 CA MET A 15 -5.093 0.951 -4.126 1.00 0.00 C ATOM 219 C MET A 15 -6.054 1.329 -5.253 1.00 0.00 C ATOM 220 O MET A 15 -6.411 0.509 -6.074 1.00 0.00 O ATOM 221 CB MET A 15 -5.813 0.062 -3.109 1.00 0.00 C ATOM 222 CG MET A 15 -4.818 -0.405 -2.044 1.00 0.00 C ATOM 223 SD MET A 15 -5.527 -1.789 -1.117 1.00 0.00 S ATOM 224 CE MET A 15 -4.048 -2.831 -1.102 1.00 0.00 C ATOM 0 H MET A 15 -4.989 2.350 -2.517 1.00 0.00 H new ATOM 0 HA MET A 15 -4.246 0.409 -4.547 1.00 0.00 H new ATOM 0 HB2 MET A 15 -6.630 0.613 -2.642 1.00 0.00 H new ATOM 0 HB3 MET A 15 -6.255 -0.799 -3.611 1.00 0.00 H new ATOM 0 HG2 MET A 15 -3.883 -0.710 -2.514 1.00 0.00 H new ATOM 0 HG3 MET A 15 -4.582 0.416 -1.367 1.00 0.00 H new ATOM 0 HE1 MET A 15 -4.261 -3.758 -0.570 1.00 0.00 H new ATOM 0 HE2 MET A 15 -3.754 -3.060 -2.126 1.00 0.00 H new ATOM 0 HE3 MET A 15 -3.236 -2.304 -0.601 1.00 0.00 H new ATOM 234 N ARG A 16 -6.464 2.565 -5.295 1.00 0.00 N ATOM 235 CA ARG A 16 -7.404 3.020 -6.361 1.00 0.00 C ATOM 236 C ARG A 16 -8.436 1.924 -6.634 1.00 0.00 C ATOM 237 O ARG A 16 -8.589 1.464 -7.749 1.00 0.00 O ATOM 238 CB ARG A 16 -6.625 3.318 -7.643 1.00 0.00 C ATOM 239 CG ARG A 16 -7.447 4.257 -8.528 1.00 0.00 C ATOM 240 CD ARG A 16 -6.554 4.835 -9.628 1.00 0.00 C ATOM 241 NE ARG A 16 -7.396 5.228 -10.793 1.00 0.00 N ATOM 242 CZ ARG A 16 -8.255 4.381 -11.290 1.00 0.00 C ATOM 243 NH1 ARG A 16 -7.987 3.103 -11.286 1.00 0.00 N ATOM 244 NH2 ARG A 16 -9.381 4.811 -11.790 1.00 0.00 N ATOM 0 H ARG A 16 -6.186 3.288 -4.631 1.00 0.00 H new ATOM 0 HA ARG A 16 -7.913 3.925 -6.030 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -5.665 3.775 -7.401 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -6.411 2.392 -8.176 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -8.284 3.717 -8.971 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -7.870 5.062 -7.927 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -6.008 5.700 -9.251 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -5.812 4.098 -9.934 1.00 0.00 H new ATOM 0 HE ARG A 16 -7.301 6.158 -11.201 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -7.107 2.768 -10.895 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -8.658 2.440 -11.674 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -9.590 5.809 -11.792 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -10.052 4.149 -12.179 1.00 0.00 H new ATOM 258 N VAL A 17 -9.137 1.493 -5.620 1.00 0.00 N ATOM 259 CA VAL A 17 -10.148 0.420 -5.822 1.00 0.00 C ATOM 260 C VAL A 17 -9.427 -0.878 -6.191 1.00 0.00 C ATOM 261 O VAL A 17 -9.910 -1.666 -6.979 1.00 0.00 O ATOM 262 CB VAL A 17 -11.095 0.816 -6.956 1.00 0.00 C ATOM 263 CG1 VAL A 17 -12.306 -0.117 -6.958 1.00 0.00 C ATOM 264 CG2 VAL A 17 -11.561 2.259 -6.748 1.00 0.00 C ATOM 0 H VAL A 17 -9.052 1.837 -4.664 1.00 0.00 H new ATOM 0 HA VAL A 17 -10.723 0.278 -4.907 1.00 0.00 H new ATOM 0 HB VAL A 17 -10.575 0.736 -7.910 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -12.981 0.165 -7.766 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -11.973 -1.145 -7.105 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -12.828 -0.037 -6.005 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -12.236 2.543 -7.555 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -12.082 2.339 -5.794 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -10.697 2.924 -6.746 1.00 0.00 H new ATOM 274 N GLY A 18 -8.269 -1.102 -5.630 1.00 0.00 N ATOM 275 CA GLY A 18 -7.512 -2.343 -5.954 1.00 0.00 C ATOM 276 C GLY A 18 -8.321 -3.571 -5.531 1.00 0.00 C ATOM 277 O GLY A 18 -8.888 -4.252 -6.362 1.00 0.00 O ATOM 0 H GLY A 18 -7.816 -0.479 -4.962 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -7.304 -2.384 -7.023 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -6.550 -2.337 -5.442 1.00 0.00 H new ATOM 281 N PRO A 19 -8.342 -3.822 -4.248 1.00 0.00 N ATOM 282 CA PRO A 19 -9.066 -4.970 -3.676 1.00 0.00 C ATOM 283 C PRO A 19 -10.569 -4.692 -3.614 1.00 0.00 C ATOM 284 O PRO A 19 -10.998 -3.601 -3.291 1.00 0.00 O ATOM 285 CB PRO A 19 -8.481 -5.098 -2.268 1.00 0.00 C ATOM 286 CG PRO A 19 -7.891 -3.713 -1.912 1.00 0.00 C ATOM 287 CD PRO A 19 -7.649 -2.983 -3.248 1.00 0.00 C ATOM 0 HA PRO A 19 -8.954 -5.878 -4.268 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -9.251 -5.388 -1.553 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.710 -5.868 -2.236 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -8.578 -3.149 -1.281 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -6.961 -3.820 -1.354 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -8.053 -1.971 -3.228 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -6.585 -2.897 -3.468 1.00 0.00 H new ATOM 294 N ARG A 20 -11.372 -5.676 -3.914 1.00 0.00 N ATOM 295 CA ARG A 20 -12.847 -5.479 -3.865 1.00 0.00 C ATOM 296 C ARG A 20 -13.456 -6.526 -2.930 1.00 0.00 C ATOM 297 O ARG A 20 -14.120 -6.202 -1.965 1.00 0.00 O ATOM 298 CB ARG A 20 -13.434 -5.638 -5.270 1.00 0.00 C ATOM 299 CG ARG A 20 -14.797 -4.944 -5.332 1.00 0.00 C ATOM 300 CD ARG A 20 -15.875 -5.888 -4.796 1.00 0.00 C ATOM 301 NE ARG A 20 -17.060 -5.854 -5.700 1.00 0.00 N ATOM 302 CZ ARG A 20 -18.103 -5.138 -5.381 1.00 0.00 C ATOM 303 NH1 ARG A 20 -18.469 -4.143 -6.142 1.00 0.00 N ATOM 304 NH2 ARG A 20 -18.782 -5.417 -4.302 1.00 0.00 N ATOM 0 H ARG A 20 -11.069 -6.610 -4.191 1.00 0.00 H new ATOM 0 HA ARG A 20 -13.074 -4.479 -3.496 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -12.759 -5.206 -6.009 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -13.540 -6.695 -5.515 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -14.777 -4.026 -4.744 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -15.026 -4.659 -6.359 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -15.484 -6.903 -4.730 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -16.165 -5.591 -3.788 1.00 0.00 H new ATOM 0 HE ARG A 20 -17.055 -6.390 -6.568 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -17.940 -3.925 -6.986 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -19.284 -3.583 -5.893 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -18.497 -6.195 -3.707 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -19.597 -4.857 -4.053 1.00 0.00 H new ATOM 318 N THR A 21 -13.223 -7.782 -3.206 1.00 0.00 N ATOM 319 CA THR A 21 -13.774 -8.865 -2.338 1.00 0.00 C ATOM 320 C THR A 21 -13.436 -10.225 -2.955 1.00 0.00 C ATOM 321 O THR A 21 -14.199 -11.167 -2.861 1.00 0.00 O ATOM 322 CB THR A 21 -15.295 -8.720 -2.233 1.00 0.00 C ATOM 323 OG1 THR A 21 -15.795 -9.660 -1.293 1.00 0.00 O ATOM 324 CG2 THR A 21 -15.930 -8.976 -3.601 1.00 0.00 C ATOM 0 H THR A 21 -12.671 -8.106 -4.000 1.00 0.00 H new ATOM 0 HA THR A 21 -13.336 -8.791 -1.343 1.00 0.00 H new ATOM 0 HB THR A 21 -15.542 -7.711 -1.904 1.00 0.00 H new ATOM 0 HG1 THR A 21 -15.425 -10.546 -1.488 1.00 0.00 H new ATOM 0 HG21 THR A 21 -17.012 -8.873 -3.525 1.00 0.00 H new ATOM 0 HG22 THR A 21 -15.546 -8.253 -4.321 1.00 0.00 H new ATOM 0 HG23 THR A 21 -15.684 -9.985 -3.933 1.00 0.00 H new ATOM 332 N TYR A 22 -12.305 -10.330 -3.596 1.00 0.00 N ATOM 333 CA TYR A 22 -11.918 -11.620 -4.238 1.00 0.00 C ATOM 334 C TYR A 22 -11.004 -12.432 -3.313 1.00 0.00 C ATOM 335 O TYR A 22 -10.855 -13.624 -3.478 1.00 0.00 O ATOM 336 CB TYR A 22 -11.180 -11.325 -5.544 1.00 0.00 C ATOM 337 CG TYR A 22 -9.858 -10.666 -5.229 1.00 0.00 C ATOM 338 CD1 TYR A 22 -8.769 -11.444 -4.821 1.00 0.00 C ATOM 339 CD2 TYR A 22 -9.725 -9.277 -5.338 1.00 0.00 C ATOM 340 CE1 TYR A 22 -7.545 -10.834 -4.523 1.00 0.00 C ATOM 341 CE2 TYR A 22 -8.501 -8.666 -5.039 1.00 0.00 C ATOM 342 CZ TYR A 22 -7.410 -9.444 -4.633 1.00 0.00 C ATOM 343 OH TYR A 22 -6.205 -8.842 -4.339 1.00 0.00 O ATOM 0 H TYR A 22 -11.628 -9.575 -3.704 1.00 0.00 H new ATOM 0 HA TYR A 22 -12.819 -12.201 -4.435 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -11.016 -12.248 -6.100 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -11.783 -10.674 -6.177 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -8.873 -12.516 -4.736 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -10.566 -8.677 -5.653 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -6.705 -11.435 -4.208 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -8.398 -7.594 -5.122 1.00 0.00 H new ATOM 0 HH TYR A 22 -6.283 -7.874 -4.468 1.00 0.00 H new ATOM 353 N ALA A 23 -10.384 -11.812 -2.345 1.00 0.00 N ATOM 354 CA ALA A 23 -9.490 -12.584 -1.440 1.00 0.00 C ATOM 355 C ALA A 23 -10.268 -13.757 -0.853 1.00 0.00 C ATOM 356 O ALA A 23 -9.726 -14.804 -0.548 1.00 0.00 O ATOM 357 CB ALA A 23 -9.001 -11.681 -0.306 1.00 0.00 C ATOM 0 H ALA A 23 -10.457 -10.815 -2.144 1.00 0.00 H new ATOM 0 HA ALA A 23 -8.632 -12.953 -2.002 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.347 -12.249 0.355 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.451 -10.838 -0.724 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -9.856 -11.312 0.260 1.00 0.00 H new ATOM 363 N ASP A 24 -11.539 -13.572 -0.694 1.00 0.00 N ATOM 364 CA ASP A 24 -12.398 -14.645 -0.113 1.00 0.00 C ATOM 365 C ASP A 24 -12.761 -15.676 -1.185 1.00 0.00 C ATOM 366 O ASP A 24 -12.263 -16.783 -1.182 1.00 0.00 O ATOM 367 CB ASP A 24 -13.680 -14.022 0.444 1.00 0.00 C ATOM 368 CG ASP A 24 -13.675 -14.117 1.970 1.00 0.00 C ATOM 369 OD1 ASP A 24 -13.542 -15.219 2.476 1.00 0.00 O ATOM 370 OD2 ASP A 24 -13.803 -13.084 2.608 1.00 0.00 O ATOM 0 H ASP A 24 -12.033 -12.715 -0.943 1.00 0.00 H new ATOM 0 HA ASP A 24 -11.849 -15.143 0.686 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -13.754 -12.979 0.135 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -14.552 -14.537 0.040 1.00 0.00 H new ATOM 375 N VAL A 25 -13.639 -15.320 -2.089 1.00 0.00 N ATOM 376 CA VAL A 25 -14.056 -16.273 -3.163 1.00 0.00 C ATOM 377 C VAL A 25 -12.851 -17.098 -3.620 1.00 0.00 C ATOM 378 O VAL A 25 -12.916 -18.305 -3.738 1.00 0.00 O ATOM 379 CB VAL A 25 -14.615 -15.480 -4.346 1.00 0.00 C ATOM 380 CG1 VAL A 25 -14.750 -16.394 -5.564 1.00 0.00 C ATOM 381 CG2 VAL A 25 -15.990 -14.921 -3.976 1.00 0.00 C ATOM 0 H VAL A 25 -14.087 -14.405 -2.129 1.00 0.00 H new ATOM 0 HA VAL A 25 -14.821 -16.946 -2.777 1.00 0.00 H new ATOM 0 HB VAL A 25 -13.937 -14.661 -4.584 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -15.148 -15.825 -6.404 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -13.771 -16.794 -5.829 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -15.427 -17.216 -5.329 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -16.391 -14.355 -4.817 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -16.665 -15.743 -3.737 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -15.895 -14.266 -3.110 1.00 0.00 H new ATOM 391 N ARG A 26 -11.753 -16.449 -3.871 1.00 0.00 N ATOM 392 CA ARG A 26 -10.531 -17.176 -4.313 1.00 0.00 C ATOM 393 C ARG A 26 -10.020 -18.057 -3.178 1.00 0.00 C ATOM 394 O ARG A 26 -9.818 -19.222 -3.396 1.00 0.00 O ATOM 395 CB ARG A 26 -9.472 -16.155 -4.739 1.00 0.00 C ATOM 396 CG ARG A 26 -10.111 -15.115 -5.660 1.00 0.00 C ATOM 397 CD ARG A 26 -9.560 -15.285 -7.076 1.00 0.00 C ATOM 398 NE ARG A 26 -10.691 -15.332 -8.044 1.00 0.00 N ATOM 399 CZ ARG A 26 -10.819 -16.351 -8.850 1.00 0.00 C ATOM 400 NH1 ARG A 26 -10.837 -17.565 -8.370 1.00 0.00 N ATOM 401 NH2 ARG A 26 -10.928 -16.155 -10.135 1.00 0.00 N ATOM 0 H ARG A 26 -11.647 -15.438 -3.789 1.00 0.00 H new ATOM 0 HA ARG A 26 -10.760 -17.819 -5.163 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -9.047 -15.668 -3.861 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -8.652 -16.657 -5.253 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -11.195 -15.232 -5.663 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -9.900 -14.110 -5.294 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -8.892 -14.459 -7.320 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -8.972 -16.200 -7.142 1.00 0.00 H new ATOM 0 HE ARG A 26 -11.366 -14.568 -8.077 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -10.751 -17.717 -7.365 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -10.937 -18.361 -9.000 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -10.913 -15.206 -10.509 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -11.028 -16.950 -10.766 1.00 0.00 H new ATOM 415 N ASP A 27 -9.831 -17.555 -1.967 1.00 0.00 N ATOM 416 CA ASP A 27 -9.355 -18.466 -0.857 1.00 0.00 C ATOM 417 C ASP A 27 -10.070 -19.786 -1.020 1.00 0.00 C ATOM 418 O ASP A 27 -9.525 -20.821 -0.718 1.00 0.00 O ATOM 419 CB ASP A 27 -9.672 -17.854 0.508 1.00 0.00 C ATOM 420 CG ASP A 27 -8.680 -18.384 1.543 1.00 0.00 C ATOM 421 OD1 ASP A 27 -7.888 -19.242 1.190 1.00 0.00 O ATOM 422 OD2 ASP A 27 -8.729 -17.923 2.672 1.00 0.00 O ATOM 0 H ASP A 27 -9.981 -16.581 -1.704 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.275 -18.605 -0.912 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -9.613 -16.767 0.454 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -10.691 -18.104 0.803 1.00 0.00 H new ATOM 427 N GLU A 28 -11.243 -19.755 -1.601 1.00 0.00 N ATOM 428 CA GLU A 28 -11.928 -20.997 -1.918 1.00 0.00 C ATOM 429 C GLU A 28 -10.998 -21.655 -2.914 1.00 0.00 C ATOM 430 O GLU A 28 -11.034 -21.370 -4.093 1.00 0.00 O ATOM 431 CB GLU A 28 -13.296 -20.721 -2.549 1.00 0.00 C ATOM 432 CG GLU A 28 -14.156 -21.983 -2.468 1.00 0.00 C ATOM 433 CD GLU A 28 -14.920 -21.997 -1.143 1.00 0.00 C ATOM 434 OE1 GLU A 28 -15.563 -21.004 -0.842 1.00 0.00 O ATOM 435 OE2 GLU A 28 -14.851 -23.000 -0.452 1.00 0.00 O ATOM 0 H GLU A 28 -11.741 -18.904 -1.863 1.00 0.00 H new ATOM 0 HA GLU A 28 -12.126 -21.614 -1.042 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -13.788 -19.898 -2.031 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -13.175 -20.416 -3.588 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -14.855 -22.013 -3.303 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -13.527 -22.870 -2.547 1.00 0.00 H new ATOM 442 N ILE A 29 -10.093 -22.425 -2.391 1.00 0.00 N ATOM 443 CA ILE A 29 -9.009 -23.062 -3.199 1.00 0.00 C ATOM 444 C ILE A 29 -7.808 -22.124 -3.099 1.00 0.00 C ATOM 445 O ILE A 29 -7.428 -21.532 -4.088 1.00 0.00 O ATOM 446 CB ILE A 29 -9.416 -23.167 -4.670 1.00 0.00 C ATOM 447 CG1 ILE A 29 -10.735 -23.940 -4.791 1.00 0.00 C ATOM 448 CG2 ILE A 29 -8.323 -23.912 -5.439 1.00 0.00 C ATOM 449 CD1 ILE A 29 -10.669 -25.203 -3.931 1.00 0.00 C ATOM 0 H ILE A 29 -10.055 -22.651 -1.397 1.00 0.00 H new ATOM 0 HA ILE A 29 -8.797 -24.066 -2.832 1.00 0.00 H new ATOM 0 HB ILE A 29 -9.547 -22.166 -5.082 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -11.567 -23.313 -4.471 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -10.919 -24.206 -5.832 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -8.606 -23.991 -6.489 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -7.383 -23.366 -5.357 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -8.200 -24.911 -5.020 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -11.607 -25.752 -4.018 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -9.847 -25.833 -4.272 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -10.506 -24.926 -2.890 1.00 0.00 H new ATOM 461 N ASN A 30 -7.238 -21.954 -1.906 1.00 0.00 N ATOM 462 CA ASN A 30 -6.108 -21.006 -1.710 1.00 0.00 C ATOM 463 C ASN A 30 -6.086 -19.975 -2.818 1.00 0.00 C ATOM 464 O ASN A 30 -5.059 -19.722 -3.401 1.00 0.00 O ATOM 465 CB ASN A 30 -4.791 -21.735 -1.672 1.00 0.00 C ATOM 466 CG ASN A 30 -4.797 -22.882 -2.686 1.00 0.00 C ATOM 467 OD1 ASN A 30 -5.428 -23.898 -2.467 1.00 0.00 O ATOM 468 ND2 ASN A 30 -4.119 -22.762 -3.795 1.00 0.00 N ATOM 0 H ASN A 30 -7.526 -22.448 -1.061 1.00 0.00 H new ATOM 0 HA ASN A 30 -6.256 -20.504 -0.754 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -3.978 -21.045 -1.896 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -4.611 -22.125 -0.670 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -4.119 -23.520 -4.477 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -3.589 -21.910 -3.979 1.00 0.00 H new ATOM 475 N LYS A 31 -7.233 -19.401 -3.096 1.00 0.00 N ATOM 476 CA LYS A 31 -7.364 -18.360 -4.172 1.00 0.00 C ATOM 477 C LYS A 31 -7.886 -18.954 -5.498 1.00 0.00 C ATOM 478 O LYS A 31 -7.515 -18.484 -6.555 1.00 0.00 O ATOM 479 CB LYS A 31 -6.039 -17.626 -4.459 1.00 0.00 C ATOM 480 CG LYS A 31 -5.842 -16.505 -3.435 1.00 0.00 C ATOM 481 CD LYS A 31 -4.990 -17.003 -2.265 1.00 0.00 C ATOM 482 CE LYS A 31 -5.073 -15.997 -1.117 1.00 0.00 C ATOM 483 NZ LYS A 31 -5.207 -16.726 0.177 1.00 0.00 N ATOM 0 H LYS A 31 -8.105 -19.614 -2.612 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.088 -17.645 -3.781 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.205 -18.327 -4.411 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.051 -17.213 -5.468 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.359 -15.650 -3.909 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -6.810 -16.162 -3.070 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.342 -17.980 -1.934 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.954 -17.127 -2.581 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.181 -15.371 -1.103 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.925 -15.333 -1.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.263 -16.041 0.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.071 -17.305 0.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.380 -17.342 0.316 1.00 0.00 H new ATOM 497 N ARG A 32 -8.747 -19.959 -5.497 1.00 0.00 N ATOM 498 CA ARG A 32 -9.230 -20.474 -6.817 1.00 0.00 C ATOM 499 C ARG A 32 -10.655 -21.021 -6.690 1.00 0.00 C ATOM 500 O ARG A 32 -10.880 -22.213 -6.773 1.00 0.00 O ATOM 501 CB ARG A 32 -8.298 -21.579 -7.319 1.00 0.00 C ATOM 502 CG ARG A 32 -7.935 -21.304 -8.780 1.00 0.00 C ATOM 503 CD ARG A 32 -6.982 -22.386 -9.289 1.00 0.00 C ATOM 504 NE ARG A 32 -5.808 -21.743 -9.946 1.00 0.00 N ATOM 505 CZ ARG A 32 -5.020 -22.443 -10.718 1.00 0.00 C ATOM 506 NH1 ARG A 32 -5.303 -23.689 -10.991 1.00 0.00 N ATOM 507 NH2 ARG A 32 -3.944 -21.898 -11.216 1.00 0.00 N ATOM 0 H ARG A 32 -9.120 -20.425 -4.670 1.00 0.00 H new ATOM 0 HA ARG A 32 -9.231 -19.650 -7.531 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -7.396 -21.616 -6.708 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -8.784 -22.550 -7.229 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.837 -21.284 -9.391 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -7.468 -20.323 -8.870 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -6.651 -23.013 -8.461 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -7.497 -23.037 -9.996 1.00 0.00 H new ATOM 0 HE ARG A 32 -5.619 -20.752 -9.792 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -6.142 -24.119 -10.601 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -4.685 -24.232 -11.594 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -3.719 -20.926 -11.002 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -3.328 -22.444 -11.819 1.00 0.00 H new ATOM 521 N GLY A 33 -11.619 -20.164 -6.502 1.00 0.00 N ATOM 522 CA GLY A 33 -13.025 -20.645 -6.383 1.00 0.00 C ATOM 523 C GLY A 33 -13.622 -20.799 -7.783 1.00 0.00 C ATOM 524 O GLY A 33 -13.930 -19.829 -8.446 1.00 0.00 O ATOM 0 H GLY A 33 -11.496 -19.154 -6.426 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -13.053 -21.598 -5.856 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -13.615 -19.940 -5.798 1.00 0.00 H new ATOM 528 N ARG A 34 -13.781 -22.010 -8.244 1.00 0.00 N ATOM 529 CA ARG A 34 -14.350 -22.216 -9.606 1.00 0.00 C ATOM 530 C ARG A 34 -15.780 -21.666 -9.653 1.00 0.00 C ATOM 531 O ARG A 34 -16.223 -21.311 -10.733 1.00 0.00 O ATOM 532 CB ARG A 34 -14.329 -23.719 -9.952 1.00 0.00 C ATOM 533 CG ARG A 34 -15.667 -24.385 -9.604 1.00 0.00 C ATOM 534 CD ARG A 34 -15.901 -24.312 -8.095 1.00 0.00 C ATOM 535 NE ARG A 34 -15.631 -25.644 -7.484 1.00 0.00 N ATOM 536 CZ ARG A 34 -16.580 -26.276 -6.850 1.00 0.00 C ATOM 537 NH1 ARG A 34 -17.499 -25.603 -6.214 1.00 0.00 N ATOM 538 NH2 ARG A 34 -16.610 -27.580 -6.851 1.00 0.00 N ATOM 539 OXT ARG A 34 -16.407 -21.610 -8.607 1.00 0.00 O ATOM 0 H ARG A 34 -13.542 -22.863 -7.738 1.00 0.00 H new ATOM 0 HA ARG A 34 -13.749 -21.682 -10.342 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -14.121 -23.848 -11.014 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -13.522 -24.210 -9.407 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.480 -23.888 -10.132 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -15.663 -25.425 -9.931 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -15.250 -23.558 -7.652 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -16.927 -24.008 -7.890 1.00 0.00 H new ATOM 0 HE ARG A 34 -14.704 -26.062 -7.561 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -17.475 -24.583 -6.213 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -18.241 -26.097 -5.718 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -15.891 -28.106 -7.348 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -17.352 -28.073 -6.355 1.00 0.00 H new TER 553 ARG A 34