USER MOD reduce.3.24.130724 H: found=0, std=0, add=273, rem=0, adj=6 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+ 168:sc= -0.464 (180deg=-0.919) 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 X(o=0,f=0) USER MOD Single : A 15 MET CE :methyl -161:sc= -0.079 (180deg=-0.526) USER MOD Single : A 21 THR OG1 : rot 89:sc= -0.456 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -2.83! C(o=-2.8!,f=-3.3!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.866 11.322 15.261 1.00 0.00 N ATOM 2 CA MET A 1 -15.712 10.183 14.799 1.00 0.00 C ATOM 3 C MET A 1 -15.801 10.200 13.271 1.00 0.00 C ATOM 4 O MET A 1 -15.158 9.422 12.596 1.00 0.00 O ATOM 5 CB MET A 1 -17.123 10.300 15.394 1.00 0.00 C ATOM 6 CG MET A 1 -17.401 11.747 15.813 1.00 0.00 C ATOM 7 SD MET A 1 -19.158 11.936 16.201 1.00 0.00 S ATOM 8 CE MET A 1 -19.705 12.427 14.548 1.00 0.00 C ATOM 0 H1 MET A 1 -14.968 11.435 16.290 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.870 11.130 15.031 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.170 12.195 14.785 1.00 0.00 H new ATOM 0 HA MET A 1 -15.261 9.248 15.130 1.00 0.00 H new ATOM 0 HB2 MET A 1 -17.863 9.977 14.661 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.218 9.639 16.256 1.00 0.00 H new ATOM 0 HG2 MET A 1 -16.796 12.008 16.681 1.00 0.00 H new ATOM 0 HG3 MET A 1 -17.119 12.430 15.011 1.00 0.00 H new ATOM 0 HE1 MET A 1 -20.781 12.599 14.557 1.00 0.00 H new ATOM 0 HE2 MET A 1 -19.194 13.343 14.253 1.00 0.00 H new ATOM 0 HE3 MET A 1 -19.470 11.635 13.837 1.00 0.00 H new ATOM 20 N SER A 2 -16.592 11.080 12.720 1.00 0.00 N ATOM 21 CA SER A 2 -16.719 11.139 11.237 1.00 0.00 C ATOM 22 C SER A 2 -17.104 9.758 10.705 1.00 0.00 C ATOM 23 O SER A 2 -17.348 8.838 11.461 1.00 0.00 O ATOM 24 CB SER A 2 -15.382 11.563 10.626 1.00 0.00 C ATOM 25 OG SER A 2 -14.971 12.795 11.202 1.00 0.00 O ATOM 0 H SER A 2 -17.155 11.759 13.232 1.00 0.00 H new ATOM 0 HA SER A 2 -17.488 11.863 10.967 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.628 10.796 10.804 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.480 11.669 9.546 1.00 0.00 H new ATOM 0 HG SER A 2 -14.114 13.068 10.813 1.00 0.00 H new ATOM 31 N TRP A 3 -17.161 9.604 9.412 1.00 0.00 N ATOM 32 CA TRP A 3 -17.531 8.281 8.836 1.00 0.00 C ATOM 33 C TRP A 3 -16.263 7.515 8.441 1.00 0.00 C ATOM 34 O TRP A 3 -16.132 7.059 7.322 1.00 0.00 O ATOM 35 CB TRP A 3 -18.400 8.494 7.594 1.00 0.00 C ATOM 36 CG TRP A 3 -19.673 7.722 7.737 1.00 0.00 C ATOM 37 CD1 TRP A 3 -20.522 7.811 8.786 1.00 0.00 C ATOM 38 CD2 TRP A 3 -20.256 6.749 6.820 1.00 0.00 C ATOM 39 NE1 TRP A 3 -21.589 6.955 8.573 1.00 0.00 N ATOM 40 CE2 TRP A 3 -21.470 6.279 7.375 1.00 0.00 C ATOM 41 CE3 TRP A 3 -19.853 6.235 5.575 1.00 0.00 C ATOM 42 CZ2 TRP A 3 -22.256 5.332 6.717 1.00 0.00 C ATOM 43 CZ3 TRP A 3 -20.642 5.281 4.910 1.00 0.00 C ATOM 44 CH2 TRP A 3 -21.841 4.831 5.480 1.00 0.00 C ATOM 0 H TRP A 3 -16.968 10.337 8.729 1.00 0.00 H new ATOM 0 HA TRP A 3 -18.084 7.706 9.579 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -18.618 9.554 7.467 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -17.864 8.170 6.702 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -20.389 8.446 9.649 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -22.368 6.838 9.222 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -18.931 6.575 5.127 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -23.179 4.989 7.161 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -20.323 4.892 3.954 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -22.443 4.098 4.964 1.00 0.00 H new ATOM 55 N ALA A 4 -15.324 7.364 9.342 1.00 0.00 N ATOM 56 CA ALA A 4 -14.079 6.624 8.995 1.00 0.00 C ATOM 57 C ALA A 4 -13.467 7.222 7.726 1.00 0.00 C ATOM 58 O ALA A 4 -12.862 6.528 6.935 1.00 0.00 O ATOM 59 CB ALA A 4 -14.415 5.153 8.748 1.00 0.00 C ATOM 0 H ALA A 4 -15.368 7.720 10.297 1.00 0.00 H new ATOM 0 HA ALA A 4 -13.368 6.705 9.817 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -13.505 4.610 8.494 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -14.854 4.724 9.649 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -15.126 5.075 7.925 1.00 0.00 H new ATOM 65 N LEU A 5 -13.623 8.502 7.520 1.00 0.00 N ATOM 66 CA LEU A 5 -13.051 9.133 6.297 1.00 0.00 C ATOM 67 C LEU A 5 -11.522 9.102 6.364 1.00 0.00 C ATOM 68 O LEU A 5 -10.862 8.661 5.444 1.00 0.00 O ATOM 69 CB LEU A 5 -13.527 10.584 6.204 1.00 0.00 C ATOM 70 CG LEU A 5 -15.055 10.617 6.123 1.00 0.00 C ATOM 71 CD1 LEU A 5 -15.579 11.835 6.884 1.00 0.00 C ATOM 72 CD2 LEU A 5 -15.486 10.708 4.657 1.00 0.00 C ATOM 0 H LEU A 5 -14.121 9.136 8.145 1.00 0.00 H new ATOM 0 HA LEU A 5 -13.383 8.581 5.418 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -13.186 11.146 7.074 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -13.095 11.064 5.326 1.00 0.00 H new ATOM 0 HG LEU A 5 -15.462 9.708 6.566 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -16.667 11.859 6.827 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -15.272 11.772 7.928 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -15.172 12.744 6.441 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -16.574 10.732 4.598 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -15.079 11.617 4.214 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -15.112 9.840 4.113 1.00 0.00 H new ATOM 84 N GLU A 6 -10.951 9.570 7.441 1.00 0.00 N ATOM 85 CA GLU A 6 -9.463 9.567 7.554 1.00 0.00 C ATOM 86 C GLU A 6 -8.927 8.187 7.174 1.00 0.00 C ATOM 87 O GLU A 6 -7.815 8.050 6.706 1.00 0.00 O ATOM 88 CB GLU A 6 -9.054 9.901 8.991 1.00 0.00 C ATOM 89 CG GLU A 6 -9.357 8.711 9.903 1.00 0.00 C ATOM 90 CD GLU A 6 -8.048 8.029 10.307 1.00 0.00 C ATOM 91 OE1 GLU A 6 -7.106 8.093 9.534 1.00 0.00 O ATOM 92 OE2 GLU A 6 -8.009 7.455 11.383 1.00 0.00 O ATOM 0 H GLU A 6 -11.448 9.953 8.245 1.00 0.00 H new ATOM 0 HA GLU A 6 -9.047 10.316 6.880 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -7.991 10.141 9.031 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -9.593 10.783 9.337 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -9.893 9.047 10.791 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -10.005 8.001 9.389 1.00 0.00 H new ATOM 99 N MET A 7 -9.710 7.162 7.367 1.00 0.00 N ATOM 100 CA MET A 7 -9.244 5.794 7.009 1.00 0.00 C ATOM 101 C MET A 7 -9.504 5.550 5.522 1.00 0.00 C ATOM 102 O MET A 7 -8.702 4.954 4.830 1.00 0.00 O ATOM 103 CB MET A 7 -10.007 4.759 7.839 1.00 0.00 C ATOM 104 CG MET A 7 -9.269 4.517 9.157 1.00 0.00 C ATOM 105 SD MET A 7 -8.945 2.747 9.353 1.00 0.00 S ATOM 106 CE MET A 7 -7.220 2.767 8.804 1.00 0.00 C ATOM 0 H MET A 7 -10.651 7.213 7.757 1.00 0.00 H new ATOM 0 HA MET A 7 -8.177 5.704 7.215 1.00 0.00 H new ATOM 0 HB2 MET A 7 -11.020 5.110 8.036 1.00 0.00 H new ATOM 0 HB3 MET A 7 -10.096 3.826 7.283 1.00 0.00 H new ATOM 0 HG2 MET A 7 -8.331 5.072 9.168 1.00 0.00 H new ATOM 0 HG3 MET A 7 -9.866 4.883 9.993 1.00 0.00 H new ATOM 0 HE1 MET A 7 -6.813 1.757 8.846 1.00 0.00 H new ATOM 0 HE2 MET A 7 -7.168 3.137 7.780 1.00 0.00 H new ATOM 0 HE3 MET A 7 -6.638 3.419 9.455 1.00 0.00 H new ATOM 116 N ALA A 8 -10.620 6.008 5.026 1.00 0.00 N ATOM 117 CA ALA A 8 -10.935 5.806 3.584 1.00 0.00 C ATOM 118 C ALA A 8 -9.824 6.415 2.723 1.00 0.00 C ATOM 119 O ALA A 8 -9.465 5.881 1.694 1.00 0.00 O ATOM 120 CB ALA A 8 -12.266 6.483 3.251 1.00 0.00 C ATOM 0 H ALA A 8 -11.328 6.514 5.558 1.00 0.00 H new ATOM 0 HA ALA A 8 -11.008 4.738 3.378 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -12.496 6.335 2.196 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -13.058 6.047 3.860 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -12.194 7.550 3.460 1.00 0.00 H new ATOM 126 N ASP A 9 -9.276 7.527 3.133 1.00 0.00 N ATOM 127 CA ASP A 9 -8.189 8.161 2.333 1.00 0.00 C ATOM 128 C ASP A 9 -6.992 7.211 2.258 1.00 0.00 C ATOM 129 O ASP A 9 -6.547 6.839 1.188 1.00 0.00 O ATOM 130 CB ASP A 9 -7.762 9.470 3.003 1.00 0.00 C ATOM 131 CG ASP A 9 -8.887 10.499 2.879 1.00 0.00 C ATOM 132 OD1 ASP A 9 -10.038 10.103 2.972 1.00 0.00 O ATOM 133 OD2 ASP A 9 -8.579 11.664 2.693 1.00 0.00 O ATOM 0 H ASP A 9 -9.534 8.023 3.986 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.551 8.369 1.326 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.530 9.294 4.053 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -6.854 9.851 2.535 1.00 0.00 H new ATOM 138 N THR A 10 -6.467 6.812 3.385 1.00 0.00 N ATOM 139 CA THR A 10 -5.301 5.884 3.379 1.00 0.00 C ATOM 140 C THR A 10 -5.686 4.589 2.660 1.00 0.00 C ATOM 141 O THR A 10 -4.839 3.828 2.235 1.00 0.00 O ATOM 142 CB THR A 10 -4.893 5.570 4.821 1.00 0.00 C ATOM 143 OG1 THR A 10 -4.623 6.784 5.509 1.00 0.00 O ATOM 144 CG2 THR A 10 -3.641 4.692 4.821 1.00 0.00 C ATOM 0 H THR A 10 -6.796 7.089 4.310 1.00 0.00 H new ATOM 0 HA THR A 10 -4.464 6.351 2.860 1.00 0.00 H new ATOM 0 HB THR A 10 -5.704 5.040 5.321 1.00 0.00 H new ATOM 0 HG1 THR A 10 -4.363 6.586 6.433 1.00 0.00 H new ATOM 0 HG21 THR A 10 -3.352 4.470 5.848 1.00 0.00 H new ATOM 0 HG22 THR A 10 -3.849 3.761 4.293 1.00 0.00 H new ATOM 0 HG23 THR A 10 -2.828 5.218 4.321 1.00 0.00 H new ATOM 152 N PHE A 11 -6.959 4.334 2.520 1.00 0.00 N ATOM 153 CA PHE A 11 -7.400 3.090 1.827 1.00 0.00 C ATOM 154 C PHE A 11 -7.212 3.258 0.318 1.00 0.00 C ATOM 155 O PHE A 11 -6.505 2.501 -0.317 1.00 0.00 O ATOM 156 CB PHE A 11 -8.878 2.835 2.132 1.00 0.00 C ATOM 157 CG PHE A 11 -9.203 1.383 1.874 1.00 0.00 C ATOM 158 CD1 PHE A 11 -8.622 0.382 2.662 1.00 0.00 C ATOM 159 CD2 PHE A 11 -10.088 1.038 0.846 1.00 0.00 C ATOM 160 CE1 PHE A 11 -8.926 -0.963 2.421 1.00 0.00 C ATOM 161 CE2 PHE A 11 -10.392 -0.306 0.605 1.00 0.00 C ATOM 162 CZ PHE A 11 -9.811 -1.307 1.393 1.00 0.00 C ATOM 0 H PHE A 11 -7.713 4.934 2.856 1.00 0.00 H new ATOM 0 HA PHE A 11 -6.806 2.246 2.177 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -9.095 3.088 3.170 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -9.504 3.475 1.510 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -7.939 0.648 3.456 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -10.537 1.810 0.238 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -8.478 -1.735 3.028 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -11.075 -0.571 -0.189 1.00 0.00 H new ATOM 0 HZ PHE A 11 -10.046 -2.345 1.207 1.00 0.00 H new ATOM 172 N LEU A 12 -7.835 4.248 -0.260 1.00 0.00 N ATOM 173 CA LEU A 12 -7.685 4.468 -1.724 1.00 0.00 C ATOM 174 C LEU A 12 -6.206 4.687 -2.043 1.00 0.00 C ATOM 175 O LEU A 12 -5.745 4.404 -3.131 1.00 0.00 O ATOM 176 CB LEU A 12 -8.489 5.703 -2.138 1.00 0.00 C ATOM 177 CG LEU A 12 -9.761 5.267 -2.867 1.00 0.00 C ATOM 178 CD1 LEU A 12 -10.762 4.703 -1.856 1.00 0.00 C ATOM 179 CD2 LEU A 12 -10.381 6.474 -3.576 1.00 0.00 C ATOM 0 H LEU A 12 -8.441 4.914 0.219 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.054 3.600 -2.270 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.746 6.293 -1.259 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.887 6.341 -2.785 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.513 4.500 -3.601 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.668 4.392 -2.376 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.322 3.844 -1.349 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.009 5.470 -1.122 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -11.288 6.164 -4.096 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.628 7.240 -2.841 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -9.670 6.878 -4.296 1.00 0.00 H new ATOM 191 N ASP A 13 -5.457 5.182 -1.096 1.00 0.00 N ATOM 192 CA ASP A 13 -4.005 5.412 -1.336 1.00 0.00 C ATOM 193 C ASP A 13 -3.309 4.062 -1.512 1.00 0.00 C ATOM 194 O ASP A 13 -2.537 3.864 -2.430 1.00 0.00 O ATOM 195 CB ASP A 13 -3.398 6.148 -0.139 1.00 0.00 C ATOM 196 CG ASP A 13 -2.844 7.499 -0.597 1.00 0.00 C ATOM 197 OD1 ASP A 13 -2.155 7.525 -1.604 1.00 0.00 O ATOM 198 OD2 ASP A 13 -3.117 8.485 0.068 1.00 0.00 O ATOM 0 H ASP A 13 -5.789 5.437 -0.166 1.00 0.00 H new ATOM 0 HA ASP A 13 -3.872 6.015 -2.234 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -4.154 6.296 0.632 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -2.603 5.549 0.305 1.00 0.00 H new ATOM 203 N ASN A 14 -3.581 3.128 -0.640 1.00 0.00 N ATOM 204 CA ASN A 14 -2.943 1.788 -0.755 1.00 0.00 C ATOM 205 C ASN A 14 -4.001 0.761 -1.166 1.00 0.00 C ATOM 206 O ASN A 14 -3.978 -0.375 -0.735 1.00 0.00 O ATOM 207 CB ASN A 14 -2.345 1.390 0.595 1.00 0.00 C ATOM 208 CG ASN A 14 -0.839 1.661 0.587 1.00 0.00 C ATOM 209 OD1 ASN A 14 -0.415 2.797 0.506 1.00 0.00 O ATOM 210 ND2 ASN A 14 -0.008 0.659 0.670 1.00 0.00 N ATOM 0 H ASN A 14 -4.219 3.237 0.148 1.00 0.00 H new ATOM 0 HA ASN A 14 -2.153 1.822 -1.505 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -2.822 1.954 1.396 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -2.534 0.335 0.791 1.00 0.00 H new ATOM 0 HD21 ASN A 14 0.998 0.829 0.667 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -0.364 -0.294 0.738 1.00 0.00 H new ATOM 217 N MET A 15 -4.931 1.154 -1.994 1.00 0.00 N ATOM 218 CA MET A 15 -5.993 0.203 -2.432 1.00 0.00 C ATOM 219 C MET A 15 -5.490 -0.614 -3.626 1.00 0.00 C ATOM 220 O MET A 15 -6.148 -0.712 -4.643 1.00 0.00 O ATOM 221 CB MET A 15 -7.241 0.987 -2.843 1.00 0.00 C ATOM 222 CG MET A 15 -8.438 0.516 -2.016 1.00 0.00 C ATOM 223 SD MET A 15 -9.094 -1.016 -2.722 1.00 0.00 S ATOM 224 CE MET A 15 -10.784 -0.433 -2.999 1.00 0.00 C ATOM 0 H MET A 15 -5.001 2.093 -2.386 1.00 0.00 H new ATOM 0 HA MET A 15 -6.238 -0.469 -1.610 1.00 0.00 H new ATOM 0 HB2 MET A 15 -7.079 2.054 -2.691 1.00 0.00 H new ATOM 0 HB3 MET A 15 -7.440 0.843 -3.905 1.00 0.00 H new ATOM 0 HG2 MET A 15 -8.137 0.352 -0.981 1.00 0.00 H new ATOM 0 HG3 MET A 15 -9.211 1.284 -2.005 1.00 0.00 H new ATOM 0 HE1 MET A 15 -11.450 -1.288 -3.112 1.00 0.00 H new ATOM 0 HE2 MET A 15 -11.106 0.168 -2.148 1.00 0.00 H new ATOM 0 HE3 MET A 15 -10.816 0.173 -3.904 1.00 0.00 H new ATOM 234 N ARG A 16 -4.329 -1.201 -3.512 1.00 0.00 N ATOM 235 CA ARG A 16 -3.788 -2.009 -4.642 1.00 0.00 C ATOM 236 C ARG A 16 -4.185 -3.475 -4.459 1.00 0.00 C ATOM 237 O ARG A 16 -3.347 -4.353 -4.403 1.00 0.00 O ATOM 238 CB ARG A 16 -2.263 -1.894 -4.663 1.00 0.00 C ATOM 239 CG ARG A 16 -1.740 -2.275 -6.049 1.00 0.00 C ATOM 240 CD ARG A 16 -0.215 -2.159 -6.068 1.00 0.00 C ATOM 241 NE ARG A 16 0.249 -1.921 -7.464 1.00 0.00 N ATOM 242 CZ ARG A 16 1.495 -2.139 -7.783 1.00 0.00 C ATOM 243 NH1 ARG A 16 2.030 -3.310 -7.565 1.00 0.00 N ATOM 244 NH2 ARG A 16 2.207 -1.186 -8.320 1.00 0.00 N ATOM 0 H ARG A 16 -3.732 -1.156 -2.686 1.00 0.00 H new ATOM 0 HA ARG A 16 -4.196 -1.638 -5.582 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.961 -0.876 -4.416 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.828 -2.547 -3.907 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.041 -3.293 -6.296 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -2.175 -1.622 -6.806 1.00 0.00 H new ATOM 0 HD2 ARG A 16 0.106 -1.341 -5.423 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.234 -3.071 -5.675 1.00 0.00 H new ATOM 0 HE ARG A 16 -0.407 -1.588 -8.170 1.00 0.00 H new ATOM 0 HH11 ARG A 16 1.474 -4.055 -7.145 1.00 0.00 H new ATOM 0 HH12 ARG A 16 3.004 -3.480 -7.815 1.00 0.00 H new ATOM 0 HH21 ARG A 16 1.789 -0.271 -8.490 1.00 0.00 H new ATOM 0 HH22 ARG A 16 3.181 -1.356 -8.570 1.00 0.00 H new ATOM 258 N VAL A 17 -5.458 -3.748 -4.366 1.00 0.00 N ATOM 259 CA VAL A 17 -5.908 -5.157 -4.187 1.00 0.00 C ATOM 260 C VAL A 17 -5.408 -5.688 -2.842 1.00 0.00 C ATOM 261 O VAL A 17 -5.247 -6.877 -2.653 1.00 0.00 O ATOM 262 CB VAL A 17 -5.347 -6.022 -5.318 1.00 0.00 C ATOM 263 CG1 VAL A 17 -6.207 -7.276 -5.479 1.00 0.00 C ATOM 264 CG2 VAL A 17 -5.363 -5.226 -6.625 1.00 0.00 C ATOM 0 H VAL A 17 -6.206 -3.056 -4.406 1.00 0.00 H new ATOM 0 HA VAL A 17 -6.997 -5.194 -4.209 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.324 -6.311 -5.078 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.806 -7.891 -6.285 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -6.198 -7.845 -4.549 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -7.231 -6.987 -5.718 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -4.963 -5.842 -7.431 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.387 -4.937 -6.863 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -4.750 -4.332 -6.514 1.00 0.00 H new ATOM 274 N GLY A 18 -5.163 -4.815 -1.902 1.00 0.00 N ATOM 275 CA GLY A 18 -4.677 -5.271 -0.569 1.00 0.00 C ATOM 276 C GLY A 18 -3.227 -5.751 -0.686 1.00 0.00 C ATOM 277 O GLY A 18 -2.713 -5.908 -1.776 1.00 0.00 O ATOM 0 H GLY A 18 -5.279 -3.806 -2.000 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -4.744 -4.456 0.152 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -5.309 -6.078 -0.197 1.00 0.00 H new ATOM 281 N PRO A 19 -2.613 -5.970 0.449 1.00 0.00 N ATOM 282 CA PRO A 19 -1.216 -6.435 0.520 1.00 0.00 C ATOM 283 C PRO A 19 -1.134 -7.939 0.239 1.00 0.00 C ATOM 284 O PRO A 19 -2.124 -8.642 0.277 1.00 0.00 O ATOM 285 CB PRO A 19 -0.811 -6.126 1.965 1.00 0.00 C ATOM 286 CG PRO A 19 -2.124 -6.036 2.779 1.00 0.00 C ATOM 287 CD PRO A 19 -3.253 -5.771 1.766 1.00 0.00 C ATOM 0 HA PRO A 19 -0.567 -5.956 -0.213 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -0.162 -6.907 2.361 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.255 -5.190 2.021 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.304 -6.961 3.327 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -2.069 -5.235 3.516 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -4.087 -6.457 1.911 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -3.650 -4.761 1.867 1.00 0.00 H new ATOM 294 N ARG A 20 0.040 -8.437 -0.042 1.00 0.00 N ATOM 295 CA ARG A 20 0.184 -9.893 -0.322 1.00 0.00 C ATOM 296 C ARG A 20 1.304 -10.469 0.548 1.00 0.00 C ATOM 297 O ARG A 20 1.122 -11.452 1.239 1.00 0.00 O ATOM 298 CB ARG A 20 0.524 -10.099 -1.801 1.00 0.00 C ATOM 299 CG ARG A 20 -0.621 -10.848 -2.486 1.00 0.00 C ATOM 300 CD ARG A 20 -0.186 -11.276 -3.888 1.00 0.00 C ATOM 301 NE ARG A 20 -0.189 -12.764 -3.977 1.00 0.00 N ATOM 302 CZ ARG A 20 -1.321 -13.411 -4.046 1.00 0.00 C ATOM 303 NH1 ARG A 20 -1.796 -14.010 -2.988 1.00 0.00 N ATOM 304 NH2 ARG A 20 -1.977 -13.460 -5.173 1.00 0.00 N ATOM 0 H ARG A 20 0.905 -7.898 -0.090 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.752 -10.403 -0.093 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.685 -9.136 -2.286 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.451 -10.663 -1.897 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -0.901 -11.722 -1.898 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.502 -10.209 -2.547 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.860 -10.855 -4.634 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.810 -10.890 -4.105 1.00 0.00 H new ATOM 0 HE ARG A 20 0.693 -13.277 -3.984 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -1.283 -13.973 -2.107 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -2.680 -14.515 -3.042 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -1.605 -12.993 -6.000 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -2.861 -13.965 -5.227 1.00 0.00 H new ATOM 318 N THR A 21 2.459 -9.863 0.524 1.00 0.00 N ATOM 319 CA THR A 21 3.586 -10.373 1.355 1.00 0.00 C ATOM 320 C THR A 21 4.629 -9.268 1.531 1.00 0.00 C ATOM 321 O THR A 21 4.592 -8.253 0.863 1.00 0.00 O ATOM 322 CB THR A 21 4.230 -11.579 0.667 1.00 0.00 C ATOM 323 OG1 THR A 21 3.338 -12.097 -0.310 1.00 0.00 O ATOM 324 CG2 THR A 21 4.534 -12.659 1.707 1.00 0.00 C ATOM 0 H THR A 21 2.671 -9.037 -0.035 1.00 0.00 H new ATOM 0 HA THR A 21 3.207 -10.676 2.331 1.00 0.00 H new ATOM 0 HB THR A 21 5.158 -11.271 0.185 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.495 -11.648 -1.167 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.993 -13.518 1.217 1.00 0.00 H new ATOM 0 HG22 THR A 21 5.218 -12.261 2.456 1.00 0.00 H new ATOM 0 HG23 THR A 21 3.608 -12.969 2.191 1.00 0.00 H new ATOM 332 N TYR A 22 5.551 -9.449 2.436 1.00 0.00 N ATOM 333 CA TYR A 22 6.586 -8.399 2.668 1.00 0.00 C ATOM 334 C TYR A 22 7.868 -8.711 1.885 1.00 0.00 C ATOM 335 O TYR A 22 8.554 -7.818 1.440 1.00 0.00 O ATOM 336 CB TYR A 22 6.912 -8.334 4.161 1.00 0.00 C ATOM 337 CG TYR A 22 5.751 -7.721 4.907 1.00 0.00 C ATOM 338 CD1 TYR A 22 5.271 -6.459 4.540 1.00 0.00 C ATOM 339 CD2 TYR A 22 5.155 -8.416 5.966 1.00 0.00 C ATOM 340 CE1 TYR A 22 4.195 -5.891 5.232 1.00 0.00 C ATOM 341 CE2 TYR A 22 4.079 -7.848 6.658 1.00 0.00 C ATOM 342 CZ TYR A 22 3.599 -6.586 6.291 1.00 0.00 C ATOM 343 OH TYR A 22 2.538 -6.026 6.973 1.00 0.00 O ATOM 0 H TYR A 22 5.634 -10.278 3.025 1.00 0.00 H new ATOM 0 HA TYR A 22 6.193 -7.442 2.325 1.00 0.00 H new ATOM 0 HB2 TYR A 22 7.115 -9.334 4.543 1.00 0.00 H new ATOM 0 HB3 TYR A 22 7.813 -7.742 4.321 1.00 0.00 H new ATOM 0 HD1 TYR A 22 5.731 -5.923 3.723 1.00 0.00 H new ATOM 0 HD2 TYR A 22 5.525 -9.390 6.249 1.00 0.00 H new ATOM 0 HE1 TYR A 22 3.825 -4.917 4.949 1.00 0.00 H new ATOM 0 HE2 TYR A 22 3.619 -8.384 7.475 1.00 0.00 H new ATOM 0 HH TYR A 22 2.241 -6.639 7.677 1.00 0.00 H new ATOM 353 N ALA A 23 8.214 -9.960 1.724 1.00 0.00 N ATOM 354 CA ALA A 23 9.467 -10.291 0.983 1.00 0.00 C ATOM 355 C ALA A 23 9.376 -9.793 -0.457 1.00 0.00 C ATOM 356 O ALA A 23 10.341 -9.329 -1.036 1.00 0.00 O ATOM 357 CB ALA A 23 9.678 -11.806 0.988 1.00 0.00 C ATOM 0 H ALA A 23 7.687 -10.762 2.071 1.00 0.00 H new ATOM 0 HA ALA A 23 10.308 -9.802 1.474 1.00 0.00 H new ATOM 0 HB1 ALA A 23 10.593 -12.048 0.447 1.00 0.00 H new ATOM 0 HB2 ALA A 23 9.761 -12.158 2.016 1.00 0.00 H new ATOM 0 HB3 ALA A 23 8.831 -12.293 0.504 1.00 0.00 H new ATOM 363 N ASP A 24 8.223 -9.890 -1.031 1.00 0.00 N ATOM 364 CA ASP A 24 8.049 -9.430 -2.446 1.00 0.00 C ATOM 365 C ASP A 24 7.998 -7.903 -2.487 1.00 0.00 C ATOM 366 O ASP A 24 8.939 -7.253 -2.896 1.00 0.00 O ATOM 367 CB ASP A 24 6.759 -9.995 -3.071 1.00 0.00 C ATOM 368 CG ASP A 24 5.866 -10.637 -2.006 1.00 0.00 C ATOM 369 OD1 ASP A 24 6.189 -11.731 -1.573 1.00 0.00 O ATOM 370 OD2 ASP A 24 4.878 -10.022 -1.641 1.00 0.00 O ATOM 0 H ASP A 24 7.384 -10.267 -0.591 1.00 0.00 H new ATOM 0 HA ASP A 24 8.898 -9.796 -3.023 1.00 0.00 H new ATOM 0 HB2 ASP A 24 6.214 -9.196 -3.573 1.00 0.00 H new ATOM 0 HB3 ASP A 24 7.013 -10.734 -3.831 1.00 0.00 H new ATOM 375 N VAL A 25 6.908 -7.323 -2.075 1.00 0.00 N ATOM 376 CA VAL A 25 6.805 -5.837 -2.102 1.00 0.00 C ATOM 377 C VAL A 25 8.101 -5.220 -1.570 1.00 0.00 C ATOM 378 O VAL A 25 8.507 -4.153 -1.987 1.00 0.00 O ATOM 379 CB VAL A 25 5.630 -5.393 -1.231 1.00 0.00 C ATOM 380 CG1 VAL A 25 5.510 -3.870 -1.276 1.00 0.00 C ATOM 381 CG2 VAL A 25 4.340 -6.022 -1.761 1.00 0.00 C ATOM 0 H VAL A 25 6.085 -7.811 -1.721 1.00 0.00 H new ATOM 0 HA VAL A 25 6.644 -5.504 -3.127 1.00 0.00 H new ATOM 0 HB VAL A 25 5.796 -5.714 -0.203 1.00 0.00 H new ATOM 0 HG11 VAL A 25 4.672 -3.553 -0.655 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.430 -3.421 -0.901 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.342 -3.548 -2.304 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.500 -5.707 -1.141 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.174 -5.700 -2.789 1.00 0.00 H new ATOM 0 HG23 VAL A 25 4.426 -7.108 -1.731 1.00 0.00 H new ATOM 391 N ARG A 26 8.753 -5.877 -0.649 1.00 0.00 N ATOM 392 CA ARG A 26 10.019 -5.319 -0.091 1.00 0.00 C ATOM 393 C ARG A 26 11.132 -5.389 -1.141 1.00 0.00 C ATOM 394 O ARG A 26 11.838 -4.427 -1.368 1.00 0.00 O ATOM 395 CB ARG A 26 10.437 -6.124 1.142 1.00 0.00 C ATOM 396 CG ARG A 26 11.724 -5.536 1.726 1.00 0.00 C ATOM 397 CD ARG A 26 11.799 -5.857 3.220 1.00 0.00 C ATOM 398 NE ARG A 26 12.934 -5.112 3.834 1.00 0.00 N ATOM 399 CZ ARG A 26 14.127 -5.188 3.308 1.00 0.00 C ATOM 400 NH1 ARG A 26 14.999 -6.034 3.784 1.00 0.00 N ATOM 401 NH2 ARG A 26 14.446 -4.416 2.305 1.00 0.00 N ATOM 0 H ARG A 26 8.465 -6.774 -0.259 1.00 0.00 H new ATOM 0 HA ARG A 26 9.853 -4.279 0.188 1.00 0.00 H new ATOM 0 HB2 ARG A 26 9.644 -6.103 1.889 1.00 0.00 H new ATOM 0 HB3 ARG A 26 10.592 -7.168 0.872 1.00 0.00 H new ATOM 0 HG2 ARG A 26 12.591 -5.948 1.211 1.00 0.00 H new ATOM 0 HG3 ARG A 26 11.746 -4.457 1.573 1.00 0.00 H new ATOM 0 HD2 ARG A 26 10.864 -5.583 3.709 1.00 0.00 H new ATOM 0 HD3 ARG A 26 11.933 -6.929 3.366 1.00 0.00 H new ATOM 0 HE ARG A 26 12.779 -4.542 4.666 1.00 0.00 H new ATOM 0 HH11 ARG A 26 14.749 -6.637 4.568 1.00 0.00 H new ATOM 0 HH12 ARG A 26 15.930 -6.092 3.372 1.00 0.00 H new ATOM 0 HH21 ARG A 26 13.764 -3.755 1.933 1.00 0.00 H new ATOM 0 HH22 ARG A 26 15.377 -4.474 1.893 1.00 0.00 H new ATOM 415 N ASP A 27 11.304 -6.517 -1.780 1.00 0.00 N ATOM 416 CA ASP A 27 12.384 -6.623 -2.804 1.00 0.00 C ATOM 417 C ASP A 27 12.137 -5.609 -3.921 1.00 0.00 C ATOM 418 O ASP A 27 13.020 -5.303 -4.697 1.00 0.00 O ATOM 419 CB ASP A 27 12.415 -8.040 -3.388 1.00 0.00 C ATOM 420 CG ASP A 27 11.087 -8.353 -4.079 1.00 0.00 C ATOM 421 OD1 ASP A 27 10.489 -7.438 -4.621 1.00 0.00 O ATOM 422 OD2 ASP A 27 10.692 -9.507 -4.060 1.00 0.00 O ATOM 0 H ASP A 27 10.749 -7.361 -1.639 1.00 0.00 H new ATOM 0 HA ASP A 27 13.344 -6.412 -2.332 1.00 0.00 H new ATOM 0 HB2 ASP A 27 13.235 -8.130 -4.101 1.00 0.00 H new ATOM 0 HB3 ASP A 27 12.601 -8.764 -2.595 1.00 0.00 H new ATOM 427 N GLU A 28 10.947 -5.082 -4.010 1.00 0.00 N ATOM 428 CA GLU A 28 10.658 -4.086 -5.079 1.00 0.00 C ATOM 429 C GLU A 28 11.453 -2.812 -4.809 1.00 0.00 C ATOM 430 O GLU A 28 11.912 -2.151 -5.724 1.00 0.00 O ATOM 431 CB GLU A 28 9.162 -3.767 -5.102 1.00 0.00 C ATOM 432 CG GLU A 28 8.798 -3.129 -6.445 1.00 0.00 C ATOM 433 CD GLU A 28 7.887 -1.923 -6.208 1.00 0.00 C ATOM 434 OE1 GLU A 28 8.064 -1.260 -5.199 1.00 0.00 O ATOM 435 OE2 GLU A 28 7.029 -1.681 -7.041 1.00 0.00 O ATOM 0 H GLU A 28 10.165 -5.297 -3.391 1.00 0.00 H new ATOM 0 HA GLU A 28 10.947 -4.498 -6.046 1.00 0.00 H new ATOM 0 HB2 GLU A 28 8.583 -4.678 -4.951 1.00 0.00 H new ATOM 0 HB3 GLU A 28 8.911 -3.090 -4.285 1.00 0.00 H new ATOM 0 HG2 GLU A 28 9.702 -2.818 -6.968 1.00 0.00 H new ATOM 0 HG3 GLU A 28 8.296 -3.858 -7.081 1.00 0.00 H new ATOM 442 N ILE A 29 11.639 -2.461 -3.562 1.00 0.00 N ATOM 443 CA ILE A 29 12.423 -1.227 -3.254 1.00 0.00 C ATOM 444 C ILE A 29 13.928 -1.488 -3.414 1.00 0.00 C ATOM 445 O ILE A 29 14.756 -0.759 -2.904 1.00 0.00 O ATOM 446 CB ILE A 29 12.121 -0.765 -1.826 1.00 0.00 C ATOM 447 CG1 ILE A 29 10.645 -0.375 -1.718 1.00 0.00 C ATOM 448 CG2 ILE A 29 12.989 0.448 -1.485 1.00 0.00 C ATOM 449 CD1 ILE A 29 10.004 -1.124 -0.548 1.00 0.00 C ATOM 0 H ILE A 29 11.286 -2.969 -2.751 1.00 0.00 H new ATOM 0 HA ILE A 29 12.132 -0.445 -3.955 1.00 0.00 H new ATOM 0 HB ILE A 29 12.338 -1.576 -1.131 1.00 0.00 H new ATOM 0 HG12 ILE A 29 10.552 0.701 -1.570 1.00 0.00 H new ATOM 0 HG13 ILE A 29 10.126 -0.615 -2.646 1.00 0.00 H new ATOM 0 HG21 ILE A 29 12.773 0.776 -0.468 1.00 0.00 H new ATOM 0 HG22 ILE A 29 14.042 0.176 -1.562 1.00 0.00 H new ATOM 0 HG23 ILE A 29 12.772 1.258 -2.181 1.00 0.00 H new ATOM 0 HD11 ILE A 29 8.953 -0.847 -0.471 1.00 0.00 H new ATOM 0 HD12 ILE A 29 10.084 -2.198 -0.716 1.00 0.00 H new ATOM 0 HD13 ILE A 29 10.517 -0.862 0.377 1.00 0.00 H new ATOM 461 N ASN A 30 14.282 -2.506 -4.142 1.00 0.00 N ATOM 462 CA ASN A 30 15.716 -2.818 -4.378 1.00 0.00 C ATOM 463 C ASN A 30 16.031 -2.554 -5.853 1.00 0.00 C ATOM 464 O ASN A 30 16.805 -1.678 -6.185 1.00 0.00 O ATOM 465 CB ASN A 30 15.986 -4.289 -4.047 1.00 0.00 C ATOM 466 CG ASN A 30 15.734 -4.537 -2.559 1.00 0.00 C ATOM 467 OD1 ASN A 30 15.258 -5.588 -2.180 1.00 0.00 O ATOM 468 ND2 ASN A 30 16.037 -3.610 -1.692 1.00 0.00 N ATOM 0 H ASN A 30 13.627 -3.146 -4.591 1.00 0.00 H new ATOM 0 HA ASN A 30 16.345 -2.194 -3.743 1.00 0.00 H new ATOM 0 HB2 ASN A 30 15.341 -4.931 -4.647 1.00 0.00 H new ATOM 0 HB3 ASN A 30 17.015 -4.546 -4.299 1.00 0.00 H new ATOM 0 HD21 ASN A 30 15.874 -3.769 -0.698 1.00 0.00 H new ATOM 0 HD22 ASN A 30 16.437 -2.727 -2.009 1.00 0.00 H new ATOM 475 N LYS A 31 15.427 -3.298 -6.743 1.00 0.00 N ATOM 476 CA LYS A 31 15.681 -3.082 -8.193 1.00 0.00 C ATOM 477 C LYS A 31 14.898 -1.854 -8.671 1.00 0.00 C ATOM 478 O LYS A 31 15.215 -1.263 -9.683 1.00 0.00 O ATOM 479 CB LYS A 31 15.224 -4.314 -8.979 1.00 0.00 C ATOM 480 CG LYS A 31 16.046 -5.529 -8.548 1.00 0.00 C ATOM 481 CD LYS A 31 17.297 -5.634 -9.423 1.00 0.00 C ATOM 482 CE LYS A 31 18.542 -5.641 -8.536 1.00 0.00 C ATOM 483 NZ LYS A 31 19.228 -6.958 -8.655 1.00 0.00 N ATOM 0 H LYS A 31 14.769 -4.046 -6.525 1.00 0.00 H new ATOM 0 HA LYS A 31 16.747 -2.920 -8.355 1.00 0.00 H new ATOM 0 HB2 LYS A 31 14.164 -4.498 -8.803 1.00 0.00 H new ATOM 0 HB3 LYS A 31 15.344 -4.141 -10.048 1.00 0.00 H new ATOM 0 HG2 LYS A 31 16.329 -5.437 -7.499 1.00 0.00 H new ATOM 0 HG3 LYS A 31 15.449 -6.436 -8.638 1.00 0.00 H new ATOM 0 HD2 LYS A 31 17.259 -6.544 -10.022 1.00 0.00 H new ATOM 0 HD3 LYS A 31 17.338 -4.796 -10.119 1.00 0.00 H new ATOM 0 HE2 LYS A 31 19.218 -4.839 -8.833 1.00 0.00 H new ATOM 0 HE3 LYS A 31 18.264 -5.456 -7.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 20.075 -6.964 -8.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 18.582 -7.715 -8.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 19.506 -7.116 -9.644 1.00 0.00 H new ATOM 497 N ARG A 32 13.876 -1.464 -7.952 1.00 0.00 N ATOM 498 CA ARG A 32 13.082 -0.276 -8.375 1.00 0.00 C ATOM 499 C ARG A 32 13.446 0.920 -7.493 1.00 0.00 C ATOM 500 O ARG A 32 12.587 1.629 -7.007 1.00 0.00 O ATOM 501 CB ARG A 32 11.591 -0.581 -8.229 1.00 0.00 C ATOM 502 CG ARG A 32 10.783 0.408 -9.070 1.00 0.00 C ATOM 503 CD ARG A 32 9.913 -0.361 -10.066 1.00 0.00 C ATOM 504 NE ARG A 32 10.774 -1.253 -10.893 1.00 0.00 N ATOM 505 CZ ARG A 32 10.238 -2.001 -11.819 1.00 0.00 C ATOM 506 NH1 ARG A 32 8.961 -2.264 -11.786 1.00 0.00 N ATOM 507 NH2 ARG A 32 10.980 -2.488 -12.777 1.00 0.00 N ATOM 0 H ARG A 32 13.560 -1.916 -7.094 1.00 0.00 H new ATOM 0 HA ARG A 32 13.305 -0.042 -9.416 1.00 0.00 H new ATOM 0 HB2 ARG A 32 11.385 -1.602 -8.551 1.00 0.00 H new ATOM 0 HB3 ARG A 32 11.295 -0.511 -7.182 1.00 0.00 H new ATOM 0 HG2 ARG A 32 10.157 1.024 -8.424 1.00 0.00 H new ATOM 0 HG3 ARG A 32 11.454 1.083 -9.602 1.00 0.00 H new ATOM 0 HD2 ARG A 32 9.166 -0.950 -9.534 1.00 0.00 H new ATOM 0 HD3 ARG A 32 9.372 0.336 -10.706 1.00 0.00 H new ATOM 0 HE ARG A 32 11.781 -1.279 -10.736 1.00 0.00 H new ATOM 0 HH11 ARG A 32 8.381 -1.885 -11.037 1.00 0.00 H new ATOM 0 HH12 ARG A 32 8.542 -2.848 -12.509 1.00 0.00 H new ATOM 0 HH21 ARG A 32 11.979 -2.284 -12.802 1.00 0.00 H new ATOM 0 HH22 ARG A 32 10.560 -3.072 -13.500 1.00 0.00 H new ATOM 521 N GLY A 33 14.713 1.151 -7.283 1.00 0.00 N ATOM 522 CA GLY A 33 15.131 2.301 -6.432 1.00 0.00 C ATOM 523 C GLY A 33 14.923 3.608 -7.197 1.00 0.00 C ATOM 524 O GLY A 33 14.000 3.743 -7.976 1.00 0.00 O ATOM 0 H GLY A 33 15.477 0.593 -7.664 1.00 0.00 H new ATOM 0 HA2 GLY A 33 14.552 2.312 -5.509 1.00 0.00 H new ATOM 0 HA3 GLY A 33 16.179 2.196 -6.150 1.00 0.00 H new ATOM 528 N ARG A 34 15.775 4.572 -6.982 1.00 0.00 N ATOM 529 CA ARG A 34 15.628 5.871 -7.696 1.00 0.00 C ATOM 530 C ARG A 34 16.563 5.894 -8.907 1.00 0.00 C ATOM 531 O ARG A 34 17.754 6.069 -8.707 1.00 0.00 O ATOM 532 CB ARG A 34 15.988 7.017 -6.748 1.00 0.00 C ATOM 533 CG ARG A 34 15.456 8.335 -7.314 1.00 0.00 C ATOM 534 CD ARG A 34 16.500 8.948 -8.250 1.00 0.00 C ATOM 535 NE ARG A 34 15.957 10.197 -8.854 1.00 0.00 N ATOM 536 CZ ARG A 34 16.588 10.770 -9.842 1.00 0.00 C ATOM 537 NH1 ARG A 34 15.997 10.915 -10.997 1.00 0.00 N ATOM 538 NH2 ARG A 34 17.810 11.198 -9.677 1.00 0.00 N ATOM 539 OXT ARG A 34 16.073 5.736 -10.012 1.00 0.00 O ATOM 0 H ARG A 34 16.567 4.516 -6.342 1.00 0.00 H new ATOM 0 HA ARG A 34 14.598 5.989 -8.031 1.00 0.00 H new ATOM 0 HB2 ARG A 34 15.562 6.834 -5.762 1.00 0.00 H new ATOM 0 HB3 ARG A 34 17.069 7.073 -6.623 1.00 0.00 H new ATOM 0 HG2 ARG A 34 14.525 8.162 -7.854 1.00 0.00 H new ATOM 0 HG3 ARG A 34 15.229 9.026 -6.502 1.00 0.00 H new ATOM 0 HD2 ARG A 34 17.414 9.166 -7.698 1.00 0.00 H new ATOM 0 HD3 ARG A 34 16.763 8.237 -9.034 1.00 0.00 H new ATOM 0 HE ARG A 34 15.093 10.604 -8.496 1.00 0.00 H new ATOM 0 HH11 ARG A 34 15.042 10.580 -11.127 1.00 0.00 H new ATOM 0 HH12 ARG A 34 16.490 11.363 -11.769 1.00 0.00 H new ATOM 0 HH21 ARG A 34 18.273 11.085 -8.775 1.00 0.00 H new ATOM 0 HH22 ARG A 34 18.302 11.646 -10.450 1.00 0.00 H new TER 553 ARG A 34