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= -0.0634 (180deg=-0.271) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0708 USER MOD Single : A 7 MET CE :methyl -122:sc= -0.0129 (180deg=-0.125) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.00275 USER MOD Single : A 14 ASN : amide:sc= -0.635 K(o=-0.63,f=-5.6!) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot -2:sc= 0.466! USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.0852 X(o=-0.085,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.641 15.144 8.267 1.00 0.00 N ATOM 2 CA MET A 1 -14.330 14.192 9.369 1.00 0.00 C ATOM 3 C MET A 1 -15.492 13.211 9.535 1.00 0.00 C ATOM 4 O MET A 1 -15.744 12.705 10.609 1.00 0.00 O ATOM 5 CB MET A 1 -14.127 14.969 10.672 1.00 0.00 C ATOM 6 CG MET A 1 -12.725 15.584 10.688 1.00 0.00 C ATOM 7 SD MET A 1 -11.798 14.941 12.103 1.00 0.00 S ATOM 8 CE MET A 1 -10.147 15.059 11.369 1.00 0.00 C ATOM 0 H1 MET A 1 -13.959 15.929 8.283 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.579 14.650 7.354 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.603 15.519 8.393 1.00 0.00 H new ATOM 0 HA MET A 1 -13.420 13.642 9.130 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.880 15.752 10.762 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.254 14.305 11.527 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.203 15.349 9.761 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.794 16.670 10.748 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.405 14.706 12.085 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.104 14.445 10.469 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.937 16.097 11.110 1.00 0.00 H new ATOM 20 N SER A 2 -16.204 12.940 8.474 1.00 0.00 N ATOM 21 CA SER A 2 -17.349 11.992 8.566 1.00 0.00 C ATOM 22 C SER A 2 -16.924 10.634 8.005 1.00 0.00 C ATOM 23 O SER A 2 -16.719 9.685 8.736 1.00 0.00 O ATOM 24 CB SER A 2 -18.523 12.535 7.749 1.00 0.00 C ATOM 25 OG SER A 2 -18.021 13.274 6.644 1.00 0.00 O ATOM 0 H SER A 2 -16.041 13.335 7.548 1.00 0.00 H new ATOM 0 HA SER A 2 -17.651 11.880 9.607 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.148 11.714 7.399 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.152 13.171 8.372 1.00 0.00 H new ATOM 0 HG SER A 2 -18.770 13.623 6.116 1.00 0.00 H new ATOM 31 N TRP A 3 -16.782 10.539 6.713 1.00 0.00 N ATOM 32 CA TRP A 3 -16.361 9.249 6.102 1.00 0.00 C ATOM 33 C TRP A 3 -15.583 9.540 4.810 1.00 0.00 C ATOM 34 O TRP A 3 -15.375 10.684 4.459 1.00 0.00 O ATOM 35 CB TRP A 3 -17.598 8.405 5.782 1.00 0.00 C ATOM 36 CG TRP A 3 -18.375 9.051 4.680 1.00 0.00 C ATOM 37 CD1 TRP A 3 -19.009 10.244 4.769 1.00 0.00 C ATOM 38 CD2 TRP A 3 -18.613 8.565 3.327 1.00 0.00 C ATOM 39 NE1 TRP A 3 -19.619 10.519 3.559 1.00 0.00 N ATOM 40 CE2 TRP A 3 -19.404 9.514 2.637 1.00 0.00 C ATOM 41 CE3 TRP A 3 -18.222 7.401 2.637 1.00 0.00 C ATOM 42 CZ2 TRP A 3 -19.795 9.316 1.312 1.00 0.00 C ATOM 43 CZ3 TRP A 3 -18.613 7.201 1.304 1.00 0.00 C ATOM 44 CH2 TRP A 3 -19.398 8.156 0.643 1.00 0.00 C ATOM 0 H TRP A 3 -16.940 11.301 6.053 1.00 0.00 H new ATOM 0 HA TRP A 3 -15.726 8.700 6.797 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -17.298 7.399 5.488 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -18.222 8.305 6.670 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -19.034 10.878 5.643 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -20.162 11.362 3.370 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -17.618 6.658 3.137 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -20.400 10.055 0.807 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -18.307 6.305 0.784 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -19.696 7.995 -0.383 1.00 0.00 H new ATOM 55 N ALA A 4 -15.154 8.519 4.102 1.00 0.00 N ATOM 56 CA ALA A 4 -14.391 8.741 2.835 1.00 0.00 C ATOM 57 C ALA A 4 -12.917 9.021 3.152 1.00 0.00 C ATOM 58 O ALA A 4 -12.028 8.500 2.509 1.00 0.00 O ATOM 59 CB ALA A 4 -14.982 9.928 2.070 1.00 0.00 C ATOM 0 H ALA A 4 -15.301 7.541 4.350 1.00 0.00 H new ATOM 0 HA ALA A 4 -14.463 7.844 2.221 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -14.421 10.083 1.149 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -16.025 9.723 1.829 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -14.922 10.825 2.687 1.00 0.00 H new ATOM 65 N LEU A 5 -12.648 9.840 4.133 1.00 0.00 N ATOM 66 CA LEU A 5 -11.234 10.148 4.481 1.00 0.00 C ATOM 67 C LEU A 5 -10.674 9.034 5.369 1.00 0.00 C ATOM 68 O LEU A 5 -9.510 8.699 5.300 1.00 0.00 O ATOM 69 CB LEU A 5 -11.177 11.482 5.230 1.00 0.00 C ATOM 70 CG LEU A 5 -9.741 11.764 5.673 1.00 0.00 C ATOM 71 CD1 LEU A 5 -9.018 12.560 4.584 1.00 0.00 C ATOM 72 CD2 LEU A 5 -9.764 12.578 6.969 1.00 0.00 C ATOM 0 H LEU A 5 -13.348 10.309 4.708 1.00 0.00 H new ATOM 0 HA LEU A 5 -10.638 10.217 3.571 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -11.534 12.287 4.587 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -11.836 11.451 6.098 1.00 0.00 H new ATOM 0 HG LEU A 5 -9.218 10.822 5.841 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -7.994 12.761 4.899 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -9.006 11.983 3.659 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -9.538 13.503 4.417 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -8.742 12.782 7.289 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -10.285 13.520 6.798 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -10.281 12.013 7.744 1.00 0.00 H new ATOM 84 N GLU A 6 -11.495 8.462 6.207 1.00 0.00 N ATOM 85 CA GLU A 6 -11.007 7.373 7.101 1.00 0.00 C ATOM 86 C GLU A 6 -10.833 6.075 6.302 1.00 0.00 C ATOM 87 O GLU A 6 -10.186 5.147 6.747 1.00 0.00 O ATOM 88 CB GLU A 6 -12.020 7.145 8.225 1.00 0.00 C ATOM 89 CG GLU A 6 -11.417 6.203 9.268 1.00 0.00 C ATOM 90 CD GLU A 6 -12.521 5.694 10.196 1.00 0.00 C ATOM 91 OE1 GLU A 6 -13.323 6.503 10.629 1.00 0.00 O ATOM 92 OE2 GLU A 6 -12.547 4.502 10.456 1.00 0.00 O ATOM 0 H GLU A 6 -12.481 8.701 6.311 1.00 0.00 H new ATOM 0 HA GLU A 6 -10.046 7.664 7.525 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -12.286 8.095 8.688 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -12.938 6.719 7.821 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -10.926 5.364 8.775 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -10.653 6.724 9.846 1.00 0.00 H new ATOM 99 N MET A 7 -11.402 5.998 5.128 1.00 0.00 N ATOM 100 CA MET A 7 -11.261 4.759 4.311 1.00 0.00 C ATOM 101 C MET A 7 -10.196 4.990 3.236 1.00 0.00 C ATOM 102 O MET A 7 -9.437 4.109 2.900 1.00 0.00 O ATOM 103 CB MET A 7 -12.601 4.435 3.644 1.00 0.00 C ATOM 104 CG MET A 7 -13.473 3.633 4.613 1.00 0.00 C ATOM 105 SD MET A 7 -13.605 1.925 4.030 1.00 0.00 S ATOM 106 CE MET A 7 -14.759 2.239 2.672 1.00 0.00 C ATOM 0 H MET A 7 -11.958 6.739 4.701 1.00 0.00 H new ATOM 0 HA MET A 7 -10.965 3.926 4.949 1.00 0.00 H new ATOM 0 HB2 MET A 7 -13.109 5.356 3.358 1.00 0.00 H new ATOM 0 HB3 MET A 7 -12.436 3.865 2.730 1.00 0.00 H new ATOM 0 HG2 MET A 7 -13.040 3.655 5.613 1.00 0.00 H new ATOM 0 HG3 MET A 7 -14.464 4.082 4.685 1.00 0.00 H new ATOM 0 HE1 MET A 7 -15.659 1.640 2.813 1.00 0.00 H new ATOM 0 HE2 MET A 7 -15.025 3.296 2.658 1.00 0.00 H new ATOM 0 HE3 MET A 7 -14.289 1.970 1.726 1.00 0.00 H new ATOM 116 N ALA A 8 -10.190 6.167 2.672 1.00 0.00 N ATOM 117 CA ALA A 8 -9.212 6.548 1.594 1.00 0.00 C ATOM 118 C ALA A 8 -7.830 7.017 2.106 1.00 0.00 C ATOM 119 O ALA A 8 -6.887 7.020 1.361 1.00 0.00 O ATOM 120 CB ALA A 8 -9.823 7.650 0.727 1.00 0.00 C ATOM 0 H ALA A 8 -10.843 6.911 2.918 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.028 5.637 1.025 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.118 7.930 -0.056 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.745 7.286 0.273 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -10.042 8.520 1.346 1.00 0.00 H new ATOM 126 N ASP A 9 -7.714 7.516 3.306 1.00 0.00 N ATOM 127 CA ASP A 9 -6.430 8.098 3.776 1.00 0.00 C ATOM 128 C ASP A 9 -5.176 7.372 3.239 1.00 0.00 C ATOM 129 O ASP A 9 -5.091 7.027 2.064 1.00 0.00 O ATOM 130 CB ASP A 9 -6.447 8.088 5.311 1.00 0.00 C ATOM 131 CG ASP A 9 -6.321 6.650 5.821 1.00 0.00 C ATOM 132 OD1 ASP A 9 -7.268 5.901 5.660 1.00 0.00 O ATOM 133 OD2 ASP A 9 -5.281 6.324 6.370 1.00 0.00 O ATOM 0 H ASP A 9 -8.470 7.544 3.991 1.00 0.00 H new ATOM 0 HA ASP A 9 -6.356 9.112 3.383 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -5.627 8.694 5.697 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -7.372 8.534 5.677 1.00 0.00 H new ATOM 138 N THR A 10 -4.199 7.221 4.112 1.00 0.00 N ATOM 139 CA THR A 10 -2.854 6.618 3.792 1.00 0.00 C ATOM 140 C THR A 10 -2.994 5.500 2.774 1.00 0.00 C ATOM 141 O THR A 10 -2.984 4.331 3.105 1.00 0.00 O ATOM 142 CB THR A 10 -2.267 6.029 5.078 1.00 0.00 C ATOM 143 OG1 THR A 10 -2.189 7.045 6.068 1.00 0.00 O ATOM 144 CG2 THR A 10 -0.868 5.479 4.796 1.00 0.00 C ATOM 0 H THR A 10 -4.286 7.508 5.087 1.00 0.00 H new ATOM 0 HA THR A 10 -2.208 7.394 3.382 1.00 0.00 H new ATOM 0 HB THR A 10 -2.907 5.222 5.435 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.815 6.670 6.893 1.00 0.00 H new ATOM 0 HG21 THR A 10 -0.450 5.060 5.711 1.00 0.00 H new ATOM 0 HG22 THR A 10 -0.930 4.700 4.036 1.00 0.00 H new ATOM 0 HG23 THR A 10 -0.226 6.284 4.440 1.00 0.00 H new ATOM 152 N PHE A 11 -3.179 5.859 1.538 1.00 0.00 N ATOM 153 CA PHE A 11 -3.386 4.835 0.488 1.00 0.00 C ATOM 154 C PHE A 11 -4.635 4.056 0.842 1.00 0.00 C ATOM 155 O PHE A 11 -4.989 3.091 0.195 1.00 0.00 O ATOM 156 CB PHE A 11 -2.235 3.863 0.447 1.00 0.00 C ATOM 157 CG PHE A 11 -0.964 4.587 0.072 1.00 0.00 C ATOM 158 CD1 PHE A 11 -0.940 5.417 -1.055 1.00 0.00 C ATOM 159 CD2 PHE A 11 0.189 4.429 0.849 1.00 0.00 C ATOM 160 CE1 PHE A 11 0.237 6.090 -1.404 1.00 0.00 C ATOM 161 CE2 PHE A 11 1.367 5.102 0.500 1.00 0.00 C ATOM 162 CZ PHE A 11 1.390 5.932 -0.627 1.00 0.00 C ATOM 0 H PHE A 11 -3.195 6.825 1.210 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.469 5.330 -0.480 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -2.118 3.384 1.419 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -2.440 3.073 -0.275 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -1.830 5.538 -1.655 1.00 0.00 H new ATOM 0 HD2 PHE A 11 0.171 3.788 1.718 1.00 0.00 H new ATOM 0 HE1 PHE A 11 0.255 6.731 -2.273 1.00 0.00 H new ATOM 0 HE2 PHE A 11 2.257 4.981 1.100 1.00 0.00 H new ATOM 0 HZ PHE A 11 2.298 6.451 -0.897 1.00 0.00 H new ATOM 172 N LEU A 12 -5.329 4.491 1.850 1.00 0.00 N ATOM 173 CA LEU A 12 -6.553 3.830 2.232 1.00 0.00 C ATOM 174 C LEU A 12 -7.501 4.051 1.062 1.00 0.00 C ATOM 175 O LEU A 12 -8.500 3.376 0.910 1.00 0.00 O ATOM 176 CB LEU A 12 -7.022 4.481 3.539 1.00 0.00 C ATOM 177 CG LEU A 12 -7.317 3.385 4.568 1.00 0.00 C ATOM 178 CD1 LEU A 12 -6.191 3.343 5.601 1.00 0.00 C ATOM 179 CD2 LEU A 12 -8.640 3.671 5.278 1.00 0.00 C ATOM 0 H LEU A 12 -5.076 5.296 2.424 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.469 2.760 2.421 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.255 5.157 3.919 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.915 5.080 3.361 1.00 0.00 H new ATOM 0 HG LEU A 12 -7.387 2.426 4.054 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -6.399 2.564 6.334 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.246 3.128 5.101 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -6.124 4.307 6.105 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.839 2.885 6.007 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -8.579 4.632 5.788 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -9.447 3.700 4.546 1.00 0.00 H new ATOM 191 N ASP A 13 -7.154 4.989 0.191 1.00 0.00 N ATOM 192 CA ASP A 13 -8.003 5.243 -1.019 1.00 0.00 C ATOM 193 C ASP A 13 -7.913 4.040 -1.959 1.00 0.00 C ATOM 194 O ASP A 13 -8.912 3.519 -2.416 1.00 0.00 O ATOM 195 CB ASP A 13 -7.500 6.493 -1.744 1.00 0.00 C ATOM 196 CG ASP A 13 -8.637 7.093 -2.575 1.00 0.00 C ATOM 197 OD1 ASP A 13 -9.287 6.342 -3.284 1.00 0.00 O ATOM 198 OD2 ASP A 13 -8.839 8.292 -2.486 1.00 0.00 O ATOM 0 H ASP A 13 -6.326 5.580 0.272 1.00 0.00 H new ATOM 0 HA ASP A 13 -9.038 5.394 -0.713 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.138 7.225 -1.022 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.659 6.239 -2.389 1.00 0.00 H new ATOM 203 N ASN A 14 -6.722 3.592 -2.251 1.00 0.00 N ATOM 204 CA ASN A 14 -6.564 2.421 -3.158 1.00 0.00 C ATOM 205 C ASN A 14 -5.930 1.262 -2.385 1.00 0.00 C ATOM 206 O ASN A 14 -5.108 0.533 -2.901 1.00 0.00 O ATOM 207 CB ASN A 14 -5.661 2.807 -4.332 1.00 0.00 C ATOM 208 CG ASN A 14 -6.340 3.901 -5.157 1.00 0.00 C ATOM 209 OD1 ASN A 14 -6.854 4.859 -4.614 1.00 0.00 O ATOM 210 ND2 ASN A 14 -6.362 3.801 -6.458 1.00 0.00 N ATOM 0 H ASN A 14 -5.850 3.988 -1.899 1.00 0.00 H new ATOM 0 HA ASN A 14 -7.540 2.116 -3.535 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -4.698 3.159 -3.964 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -5.464 1.935 -4.956 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -6.810 4.526 -7.018 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -5.931 2.997 -6.915 1.00 0.00 H new ATOM 217 N MET A 15 -6.306 1.091 -1.147 1.00 0.00 N ATOM 218 CA MET A 15 -5.724 -0.018 -0.337 1.00 0.00 C ATOM 219 C MET A 15 -6.400 -0.056 1.039 1.00 0.00 C ATOM 220 O MET A 15 -5.927 0.535 1.989 1.00 0.00 O ATOM 221 CB MET A 15 -4.221 0.220 -0.162 1.00 0.00 C ATOM 222 CG MET A 15 -3.473 -1.104 -0.332 1.00 0.00 C ATOM 223 SD MET A 15 -2.427 -1.397 1.116 1.00 0.00 S ATOM 224 CE MET A 15 -0.846 -0.964 0.350 1.00 0.00 C ATOM 0 H MET A 15 -6.991 1.671 -0.661 1.00 0.00 H new ATOM 0 HA MET A 15 -5.887 -0.968 -0.846 1.00 0.00 H new ATOM 0 HB2 MET A 15 -3.869 0.946 -0.895 1.00 0.00 H new ATOM 0 HB3 MET A 15 -4.021 0.640 0.824 1.00 0.00 H new ATOM 0 HG2 MET A 15 -4.183 -1.922 -0.452 1.00 0.00 H new ATOM 0 HG3 MET A 15 -2.863 -1.076 -1.235 1.00 0.00 H new ATOM 0 HE1 MET A 15 -0.045 -1.076 1.081 1.00 0.00 H new ATOM 0 HE2 MET A 15 -0.659 -1.624 -0.497 1.00 0.00 H new ATOM 0 HE3 MET A 15 -0.880 0.069 0.005 1.00 0.00 H new ATOM 234 N ARG A 16 -7.507 -0.743 1.152 1.00 0.00 N ATOM 235 CA ARG A 16 -8.210 -0.812 2.464 1.00 0.00 C ATOM 236 C ARG A 16 -7.792 -2.083 3.209 1.00 0.00 C ATOM 237 O ARG A 16 -8.606 -2.929 3.519 1.00 0.00 O ATOM 238 CB ARG A 16 -9.723 -0.832 2.228 1.00 0.00 C ATOM 239 CG ARG A 16 -10.411 0.083 3.246 1.00 0.00 C ATOM 240 CD ARG A 16 -11.691 -0.586 3.752 1.00 0.00 C ATOM 241 NE ARG A 16 -11.918 -0.212 5.178 1.00 0.00 N ATOM 242 CZ ARG A 16 -12.786 -0.871 5.899 1.00 0.00 C ATOM 243 NH1 ARG A 16 -13.533 -1.789 5.349 1.00 0.00 N ATOM 244 NH2 ARG A 16 -12.907 -0.610 7.172 1.00 0.00 N ATOM 0 H ARG A 16 -7.953 -1.258 0.393 1.00 0.00 H new ATOM 0 HA ARG A 16 -7.944 0.059 3.063 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -9.948 -0.500 1.214 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -10.103 -1.849 2.322 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -9.740 0.285 4.081 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -10.647 1.043 2.787 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -12.541 -0.276 3.144 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -11.610 -1.669 3.658 1.00 0.00 H new ATOM 0 HE ARG A 16 -11.395 0.560 5.591 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -13.440 -1.994 4.354 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -14.210 -2.302 5.914 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -12.324 0.108 7.603 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -13.584 -1.124 7.736 1.00 0.00 H new ATOM 258 N VAL A 17 -6.526 -2.220 3.503 1.00 0.00 N ATOM 259 CA VAL A 17 -6.054 -3.433 4.234 1.00 0.00 C ATOM 260 C VAL A 17 -6.229 -4.675 3.357 1.00 0.00 C ATOM 261 O VAL A 17 -6.516 -5.750 3.842 1.00 0.00 O ATOM 262 CB VAL A 17 -6.869 -3.600 5.518 1.00 0.00 C ATOM 263 CG1 VAL A 17 -6.271 -4.729 6.360 1.00 0.00 C ATOM 264 CG2 VAL A 17 -6.834 -2.296 6.319 1.00 0.00 C ATOM 0 H VAL A 17 -5.798 -1.545 3.269 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.998 -3.315 4.479 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.900 -3.843 5.263 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -6.852 -4.848 7.275 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -6.295 -5.659 5.792 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.239 -4.486 6.614 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.415 -2.415 7.234 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.802 -2.053 6.573 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.260 -1.490 5.721 1.00 0.00 H new ATOM 274 N GLY A 18 -6.051 -4.542 2.071 1.00 0.00 N ATOM 275 CA GLY A 18 -6.202 -5.724 1.174 1.00 0.00 C ATOM 276 C GLY A 18 -7.677 -5.906 0.801 1.00 0.00 C ATOM 277 O GLY A 18 -8.521 -5.132 1.211 1.00 0.00 O ATOM 0 H GLY A 18 -5.808 -3.669 1.603 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.604 -5.588 0.273 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -5.830 -6.620 1.671 1.00 0.00 H new ATOM 281 N PRO A 19 -7.940 -6.930 0.027 1.00 0.00 N ATOM 282 CA PRO A 19 -9.303 -7.255 -0.431 1.00 0.00 C ATOM 283 C PRO A 19 -10.091 -7.962 0.678 1.00 0.00 C ATOM 284 O PRO A 19 -9.686 -7.985 1.824 1.00 0.00 O ATOM 285 CB PRO A 19 -9.067 -8.202 -1.611 1.00 0.00 C ATOM 286 CG PRO A 19 -7.658 -8.808 -1.408 1.00 0.00 C ATOM 287 CD PRO A 19 -6.900 -7.856 -0.466 1.00 0.00 C ATOM 0 HA PRO A 19 -9.883 -6.373 -0.702 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -9.826 -8.984 -1.640 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -9.126 -7.665 -2.558 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -7.725 -9.807 -0.977 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -7.138 -8.906 -2.361 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -6.429 -8.398 0.354 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -6.108 -7.322 -0.992 1.00 0.00 H new ATOM 294 N ARG A 20 -11.216 -8.538 0.344 1.00 0.00 N ATOM 295 CA ARG A 20 -12.031 -9.241 1.375 1.00 0.00 C ATOM 296 C ARG A 20 -12.361 -10.656 0.891 1.00 0.00 C ATOM 297 O ARG A 20 -12.421 -11.589 1.666 1.00 0.00 O ATOM 298 CB ARG A 20 -13.332 -8.470 1.611 1.00 0.00 C ATOM 299 CG ARG A 20 -13.024 -6.980 1.772 1.00 0.00 C ATOM 300 CD ARG A 20 -14.293 -6.237 2.198 1.00 0.00 C ATOM 301 NE ARG A 20 -15.192 -6.071 1.020 1.00 0.00 N ATOM 302 CZ ARG A 20 -14.873 -5.237 0.068 1.00 0.00 C ATOM 303 NH1 ARG A 20 -14.480 -4.027 0.363 1.00 0.00 N ATOM 304 NH2 ARG A 20 -14.950 -5.611 -1.180 1.00 0.00 N ATOM 0 H ARG A 20 -11.605 -8.551 -0.599 1.00 0.00 H new ATOM 0 HA ARG A 20 -11.466 -9.297 2.305 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -14.014 -8.622 0.774 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -13.833 -8.847 2.503 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -12.240 -6.839 2.516 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -12.649 -6.572 0.833 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -14.805 -6.792 2.984 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -14.035 -5.262 2.612 1.00 0.00 H new ATOM 0 HE ARG A 20 -16.056 -6.609 0.958 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -14.422 -3.733 1.338 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -14.231 -3.376 -0.382 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -15.259 -6.555 -1.411 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -14.701 -4.959 -1.924 1.00 0.00 H new ATOM 318 N THR A 21 -12.580 -10.820 -0.386 1.00 0.00 N ATOM 319 CA THR A 21 -12.911 -12.172 -0.921 1.00 0.00 C ATOM 320 C THR A 21 -11.838 -13.175 -0.492 1.00 0.00 C ATOM 321 O THR A 21 -10.658 -12.957 -0.686 1.00 0.00 O ATOM 322 CB THR A 21 -12.970 -12.111 -2.449 1.00 0.00 C ATOM 323 OG1 THR A 21 -11.650 -12.103 -2.974 1.00 0.00 O ATOM 324 CG2 THR A 21 -13.700 -10.839 -2.882 1.00 0.00 C ATOM 0 H THR A 21 -12.544 -10.075 -1.082 1.00 0.00 H new ATOM 0 HA THR A 21 -13.877 -12.490 -0.529 1.00 0.00 H new ATOM 0 HB THR A 21 -13.506 -12.982 -2.827 1.00 0.00 H new ATOM 0 HG1 THR A 21 -11.005 -12.098 -2.237 1.00 0.00 H new ATOM 0 HG21 THR A 21 -13.742 -10.796 -3.970 1.00 0.00 H new ATOM 0 HG22 THR A 21 -14.713 -10.846 -2.480 1.00 0.00 H new ATOM 0 HG23 THR A 21 -13.166 -9.967 -2.505 1.00 0.00 H new ATOM 332 N TYR A 22 -12.236 -14.275 0.090 1.00 0.00 N ATOM 333 CA TYR A 22 -11.236 -15.290 0.533 1.00 0.00 C ATOM 334 C TYR A 22 -11.151 -16.426 -0.493 1.00 0.00 C ATOM 335 O TYR A 22 -10.078 -16.813 -0.906 1.00 0.00 O ATOM 336 CB TYR A 22 -11.652 -15.860 1.891 1.00 0.00 C ATOM 337 CG TYR A 22 -11.566 -14.777 2.940 1.00 0.00 C ATOM 338 CD1 TYR A 22 -10.396 -14.020 3.071 1.00 0.00 C ATOM 339 CD2 TYR A 22 -12.658 -14.529 3.781 1.00 0.00 C ATOM 340 CE1 TYR A 22 -10.317 -13.016 4.042 1.00 0.00 C ATOM 341 CE2 TYR A 22 -12.579 -13.524 4.753 1.00 0.00 C ATOM 342 CZ TYR A 22 -11.408 -12.768 4.883 1.00 0.00 C ATOM 343 OH TYR A 22 -11.331 -11.777 5.840 1.00 0.00 O ATOM 0 H TYR A 22 -13.210 -14.514 0.278 1.00 0.00 H new ATOM 0 HA TYR A 22 -10.260 -14.813 0.620 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -12.669 -16.249 1.838 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -11.005 -16.694 2.161 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -9.554 -14.211 2.422 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -13.561 -15.113 3.680 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -9.414 -12.432 4.143 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -13.421 -13.332 5.402 1.00 0.00 H new ATOM 0 HH TYR A 22 -12.175 -11.736 6.337 1.00 0.00 H new ATOM 353 N ALA A 23 -12.265 -16.969 -0.904 1.00 0.00 N ATOM 354 CA ALA A 23 -12.218 -18.078 -1.899 1.00 0.00 C ATOM 355 C ALA A 23 -11.678 -17.545 -3.221 1.00 0.00 C ATOM 356 O ALA A 23 -11.079 -18.256 -4.004 1.00 0.00 O ATOM 357 CB ALA A 23 -13.624 -18.645 -2.108 1.00 0.00 C ATOM 0 H ALA A 23 -13.198 -16.695 -0.597 1.00 0.00 H new ATOM 0 HA ALA A 23 -11.566 -18.870 -1.531 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -13.585 -19.455 -2.836 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -14.007 -19.026 -1.161 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -14.283 -17.858 -2.476 1.00 0.00 H new ATOM 363 N ASP A 24 -11.884 -16.291 -3.461 1.00 0.00 N ATOM 364 CA ASP A 24 -11.394 -15.675 -4.726 1.00 0.00 C ATOM 365 C ASP A 24 -9.908 -15.339 -4.585 1.00 0.00 C ATOM 366 O ASP A 24 -9.069 -15.911 -5.252 1.00 0.00 O ATOM 367 CB ASP A 24 -12.185 -14.396 -5.007 1.00 0.00 C ATOM 368 CG ASP A 24 -13.209 -14.664 -6.111 1.00 0.00 C ATOM 369 OD1 ASP A 24 -13.454 -15.824 -6.396 1.00 0.00 O ATOM 370 OD2 ASP A 24 -13.730 -13.704 -6.654 1.00 0.00 O ATOM 0 H ASP A 24 -12.375 -15.654 -2.833 1.00 0.00 H new ATOM 0 HA ASP A 24 -11.530 -16.374 -5.551 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -12.690 -14.061 -4.101 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -11.509 -13.596 -5.309 1.00 0.00 H new ATOM 375 N VAL A 25 -9.575 -14.418 -3.723 1.00 0.00 N ATOM 376 CA VAL A 25 -8.143 -14.052 -3.543 1.00 0.00 C ATOM 377 C VAL A 25 -7.301 -15.327 -3.468 1.00 0.00 C ATOM 378 O VAL A 25 -6.272 -15.442 -4.103 1.00 0.00 O ATOM 379 CB VAL A 25 -7.976 -13.258 -2.245 1.00 0.00 C ATOM 380 CG1 VAL A 25 -8.354 -14.138 -1.052 1.00 0.00 C ATOM 381 CG2 VAL A 25 -6.519 -12.811 -2.107 1.00 0.00 C ATOM 0 H VAL A 25 -10.232 -13.904 -3.136 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.815 -13.443 -4.386 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.626 -12.383 -2.269 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -8.234 -13.571 -0.129 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.392 -14.457 -1.150 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.706 -15.014 -1.026 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.398 -12.245 -1.183 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.870 -13.687 -2.084 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.249 -12.182 -2.955 1.00 0.00 H new ATOM 391 N ARG A 26 -7.733 -16.283 -2.693 1.00 0.00 N ATOM 392 CA ARG A 26 -6.960 -17.552 -2.571 1.00 0.00 C ATOM 393 C ARG A 26 -7.027 -18.334 -3.885 1.00 0.00 C ATOM 394 O ARG A 26 -6.082 -18.991 -4.273 1.00 0.00 O ATOM 395 CB ARG A 26 -7.555 -18.399 -1.445 1.00 0.00 C ATOM 396 CG ARG A 26 -6.433 -19.132 -0.708 1.00 0.00 C ATOM 397 CD ARG A 26 -6.200 -18.473 0.652 1.00 0.00 C ATOM 398 NE ARG A 26 -7.352 -18.765 1.550 1.00 0.00 N ATOM 399 CZ ARG A 26 -7.539 -18.051 2.624 1.00 0.00 C ATOM 400 NH1 ARG A 26 -7.011 -18.428 3.757 1.00 0.00 N ATOM 401 NH2 ARG A 26 -8.256 -16.962 2.569 1.00 0.00 N ATOM 0 H ARG A 26 -8.588 -16.241 -2.139 1.00 0.00 H new ATOM 0 HA ARG A 26 -5.919 -17.318 -2.348 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -8.106 -17.764 -0.751 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -8.266 -19.117 -1.853 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -6.696 -20.181 -0.575 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -5.517 -19.105 -1.299 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -5.276 -18.846 1.095 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -6.084 -17.396 0.531 1.00 0.00 H new ATOM 0 HE ARG A 26 -7.995 -19.524 1.324 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -6.453 -19.281 3.801 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -7.157 -17.870 4.598 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -8.671 -16.669 1.685 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -8.402 -16.404 3.410 1.00 0.00 H new ATOM 415 N ASP A 27 -8.137 -18.278 -4.572 1.00 0.00 N ATOM 416 CA ASP A 27 -8.254 -19.029 -5.855 1.00 0.00 C ATOM 417 C ASP A 27 -7.251 -18.483 -6.869 1.00 0.00 C ATOM 418 O ASP A 27 -6.901 -19.146 -7.825 1.00 0.00 O ATOM 419 CB ASP A 27 -9.674 -18.878 -6.407 1.00 0.00 C ATOM 420 CG ASP A 27 -10.543 -20.036 -5.911 1.00 0.00 C ATOM 421 OD1 ASP A 27 -10.363 -20.442 -4.774 1.00 0.00 O ATOM 422 OD2 ASP A 27 -11.374 -20.495 -6.675 1.00 0.00 O ATOM 0 H ASP A 27 -8.965 -17.747 -4.301 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.043 -20.083 -5.675 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -10.100 -17.927 -6.087 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -9.652 -18.867 -7.497 1.00 0.00 H new ATOM 427 N GLU A 28 -6.780 -17.285 -6.675 1.00 0.00 N ATOM 428 CA GLU A 28 -5.797 -16.716 -7.637 1.00 0.00 C ATOM 429 C GLU A 28 -4.501 -17.519 -7.560 1.00 0.00 C ATOM 430 O GLU A 28 -3.830 -17.735 -8.556 1.00 0.00 O ATOM 431 CB GLU A 28 -5.518 -15.253 -7.288 1.00 0.00 C ATOM 432 CG GLU A 28 -6.781 -14.423 -7.529 1.00 0.00 C ATOM 433 CD GLU A 28 -6.392 -12.976 -7.842 1.00 0.00 C ATOM 434 OE1 GLU A 28 -6.162 -12.231 -6.905 1.00 0.00 O ATOM 435 OE2 GLU A 28 -6.332 -12.641 -9.013 1.00 0.00 O ATOM 0 H GLU A 28 -7.031 -16.677 -5.896 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.202 -16.769 -8.647 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.208 -15.169 -6.247 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.698 -14.872 -7.897 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.353 -14.844 -8.356 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.423 -14.455 -6.649 1.00 0.00 H new ATOM 442 N ILE A 29 -4.139 -17.971 -6.389 1.00 0.00 N ATOM 443 CA ILE A 29 -2.874 -18.758 -6.258 1.00 0.00 C ATOM 444 C ILE A 29 -2.976 -20.116 -6.971 1.00 0.00 C ATOM 445 O ILE A 29 -2.084 -20.936 -6.883 1.00 0.00 O ATOM 446 CB ILE A 29 -2.542 -18.963 -4.777 1.00 0.00 C ATOM 447 CG1 ILE A 29 -1.050 -19.274 -4.631 1.00 0.00 C ATOM 448 CG2 ILE A 29 -3.361 -20.128 -4.213 1.00 0.00 C ATOM 449 CD1 ILE A 29 -0.343 -18.081 -3.985 1.00 0.00 C ATOM 0 H ILE A 29 -4.659 -17.832 -5.522 1.00 0.00 H new ATOM 0 HA ILE A 29 -2.074 -18.193 -6.736 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.786 -18.055 -4.226 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -0.911 -20.167 -4.021 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.614 -19.484 -5.608 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.119 -20.267 -3.159 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -4.424 -19.909 -4.315 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.124 -21.039 -4.763 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.719 -18.301 -3.880 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.471 -17.199 -4.612 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.773 -17.892 -3.001 1.00 0.00 H new ATOM 461 N ASN A 30 -4.032 -20.349 -7.687 1.00 0.00 N ATOM 462 CA ASN A 30 -4.177 -21.633 -8.419 1.00 0.00 C ATOM 463 C ASN A 30 -3.639 -21.451 -9.839 1.00 0.00 C ATOM 464 O ASN A 30 -2.687 -22.090 -10.241 1.00 0.00 O ATOM 465 CB ASN A 30 -5.655 -22.029 -8.471 1.00 0.00 C ATOM 466 CG ASN A 30 -5.832 -23.421 -7.859 1.00 0.00 C ATOM 467 OD1 ASN A 30 -6.342 -24.318 -8.501 1.00 0.00 O ATOM 468 ND2 ASN A 30 -5.434 -23.639 -6.635 1.00 0.00 N ATOM 0 H ASN A 30 -4.810 -19.699 -7.799 1.00 0.00 H new ATOM 0 HA ASN A 30 -3.618 -22.418 -7.910 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -6.257 -21.301 -7.926 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -6.007 -22.026 -9.502 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -5.551 -24.562 -6.217 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -5.006 -22.886 -6.096 1.00 0.00 H new ATOM 475 N LYS A 31 -4.238 -20.578 -10.604 1.00 0.00 N ATOM 476 CA LYS A 31 -3.755 -20.352 -11.993 1.00 0.00 C ATOM 477 C LYS A 31 -3.409 -18.872 -12.192 1.00 0.00 C ATOM 478 O LYS A 31 -3.645 -18.317 -13.243 1.00 0.00 O ATOM 479 CB LYS A 31 -4.848 -20.757 -12.984 1.00 0.00 C ATOM 480 CG LYS A 31 -4.884 -22.282 -13.109 1.00 0.00 C ATOM 481 CD LYS A 31 -5.467 -22.671 -14.468 1.00 0.00 C ATOM 482 CE LYS A 31 -6.373 -23.892 -14.303 1.00 0.00 C ATOM 483 NZ LYS A 31 -7.703 -23.457 -13.790 1.00 0.00 N ATOM 0 H LYS A 31 -5.040 -20.013 -10.326 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.863 -20.954 -12.164 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.816 -20.386 -12.646 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -4.656 -20.306 -13.958 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.879 -22.690 -13.003 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.487 -22.709 -12.308 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -6.033 -21.838 -14.885 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.664 -22.893 -15.170 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.489 -24.404 -15.258 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.920 -24.604 -13.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.320 -24.287 -13.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -7.583 -22.987 -12.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.135 -22.793 -14.464 1.00 0.00 H new ATOM 497 N ARG A 32 -2.850 -18.230 -11.193 1.00 0.00 N ATOM 498 CA ARG A 32 -2.481 -16.790 -11.328 1.00 0.00 C ATOM 499 C ARG A 32 -1.300 -16.655 -12.289 1.00 0.00 C ATOM 500 O ARG A 32 -0.166 -16.516 -11.880 1.00 0.00 O ATOM 501 CB ARG A 32 -2.072 -16.233 -9.962 1.00 0.00 C ATOM 502 CG ARG A 32 -1.168 -17.242 -9.247 1.00 0.00 C ATOM 503 CD ARG A 32 -0.324 -16.519 -8.194 1.00 0.00 C ATOM 504 NE ARG A 32 1.037 -16.253 -8.742 1.00 0.00 N ATOM 505 CZ ARG A 32 1.998 -17.117 -8.553 1.00 0.00 C ATOM 506 NH1 ARG A 32 1.841 -18.360 -8.918 1.00 0.00 N ATOM 507 NH2 ARG A 32 3.116 -16.737 -8.000 1.00 0.00 N ATOM 0 H ARG A 32 -2.634 -18.646 -10.287 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.338 -16.236 -11.711 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -1.549 -15.285 -10.086 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -2.958 -16.032 -9.360 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -1.773 -18.016 -8.774 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -0.520 -17.740 -9.968 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -0.803 -15.582 -7.910 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -0.252 -17.126 -7.292 1.00 0.00 H new ATOM 0 HE ARG A 32 1.218 -15.396 -9.265 1.00 0.00 H new ATOM 0 HH11 ARG A 32 0.967 -18.658 -9.351 1.00 0.00 H new ATOM 0 HH12 ARG A 32 2.592 -19.034 -8.770 1.00 0.00 H new ATOM 0 HH21 ARG A 32 3.240 -15.765 -7.715 1.00 0.00 H new ATOM 0 HH22 ARG A 32 3.867 -17.411 -7.852 1.00 0.00 H new ATOM 521 N GLY A 33 -1.560 -16.694 -13.563 1.00 0.00 N ATOM 522 CA GLY A 33 -0.458 -16.569 -14.558 1.00 0.00 C ATOM 523 C GLY A 33 -0.360 -15.118 -15.030 1.00 0.00 C ATOM 524 O GLY A 33 0.682 -14.663 -15.459 1.00 0.00 O ATOM 0 H GLY A 33 -2.492 -16.808 -13.962 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.486 -16.882 -14.112 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -0.644 -17.227 -15.407 1.00 0.00 H new ATOM 528 N ARG A 34 -1.438 -14.386 -14.956 1.00 0.00 N ATOM 529 CA ARG A 34 -1.404 -12.965 -15.403 1.00 0.00 C ATOM 530 C ARG A 34 -1.949 -12.066 -14.292 1.00 0.00 C ATOM 531 O ARG A 34 -2.232 -12.582 -13.224 1.00 0.00 O ATOM 532 CB ARG A 34 -2.264 -12.803 -16.659 1.00 0.00 C ATOM 533 CG ARG A 34 -3.742 -12.921 -16.287 1.00 0.00 C ATOM 534 CD ARG A 34 -4.561 -13.219 -17.544 1.00 0.00 C ATOM 535 NE ARG A 34 -4.288 -12.174 -18.572 1.00 0.00 N ATOM 536 CZ ARG A 34 -3.647 -12.486 -19.664 1.00 0.00 C ATOM 537 NH1 ARG A 34 -3.827 -13.655 -20.215 1.00 0.00 N ATOM 538 NH2 ARG A 34 -2.826 -11.629 -20.207 1.00 0.00 N ATOM 539 OXT ARG A 34 -2.072 -10.874 -14.527 1.00 0.00 O ATOM 0 H ARG A 34 -2.339 -14.710 -14.606 1.00 0.00 H new ATOM 0 HA ARG A 34 -0.376 -12.681 -15.628 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -2.071 -11.835 -17.122 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -2.001 -13.565 -17.393 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.881 -13.714 -15.553 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.087 -11.996 -15.826 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.304 -14.204 -17.934 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -5.624 -13.239 -17.303 1.00 0.00 H new ATOM 0 HE ARG A 34 -4.602 -11.215 -18.421 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -4.469 -14.325 -19.792 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.326 -13.899 -21.069 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -2.685 -10.715 -19.777 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -2.325 -11.874 -21.061 1.00 0.00 H new TER 553 ARG A 34