USER MOD reduce.3.24.130724 H: found=0, std=0, add=273, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 272 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl -125:sc= 0 (180deg=-0.000682) USER MOD Single : A 1 MET N :NH3+ 175:sc= -0.0967 (180deg=-0.148) USER MOD Single : A 2 SER OG : rot 180:sc= -0.394 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= -0.0248 X(o=-0.025,f=0) USER MOD Single : A 15 MET CE :methyl 174:sc=-0.00546 (180deg=-0.0705) USER MOD Single : A 21 THR OG1 : rot -63:sc= -1.16! USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.142 X(o=-0.14,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.292 11.020 -1.604 1.00 0.00 N ATOM 2 CA MET A 1 -4.068 12.305 -2.324 1.00 0.00 C ATOM 3 C MET A 1 -4.754 13.443 -1.564 1.00 0.00 C ATOM 4 O MET A 1 -4.910 14.536 -2.074 1.00 0.00 O ATOM 5 CB MET A 1 -4.658 12.209 -3.733 1.00 0.00 C ATOM 6 CG MET A 1 -3.655 12.762 -4.748 1.00 0.00 C ATOM 7 SD MET A 1 -3.637 11.705 -6.219 1.00 0.00 S ATOM 8 CE MET A 1 -5.187 12.291 -6.947 1.00 0.00 C ATOM 0 H1 MET A 1 -3.899 10.236 -2.163 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.821 11.055 -0.677 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.312 10.871 -1.468 1.00 0.00 H new ATOM 0 HA MET A 1 -2.998 12.503 -2.388 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.895 11.172 -3.969 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.591 12.769 -3.786 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.925 13.782 -5.023 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.660 12.804 -4.306 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.849 11.444 -7.124 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.668 12.991 -6.264 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.978 12.792 -7.892 1.00 0.00 H new ATOM 20 N SER A 2 -5.166 13.200 -0.350 1.00 0.00 N ATOM 21 CA SER A 2 -5.840 14.273 0.431 1.00 0.00 C ATOM 22 C SER A 2 -5.321 14.267 1.870 1.00 0.00 C ATOM 23 O SER A 2 -4.535 15.109 2.254 1.00 0.00 O ATOM 24 CB SER A 2 -7.350 14.033 0.429 1.00 0.00 C ATOM 25 OG SER A 2 -7.887 14.412 1.690 1.00 0.00 O ATOM 0 H SER A 2 -5.065 12.307 0.133 1.00 0.00 H new ATOM 0 HA SER A 2 -5.626 15.240 -0.024 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.820 14.609 -0.368 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.563 12.982 0.231 1.00 0.00 H new ATOM 0 HG SER A 2 -8.855 14.261 1.692 1.00 0.00 H new ATOM 31 N TRP A 3 -5.749 13.319 2.666 1.00 0.00 N ATOM 32 CA TRP A 3 -5.273 13.258 4.086 1.00 0.00 C ATOM 33 C TRP A 3 -6.003 12.138 4.854 1.00 0.00 C ATOM 34 O TRP A 3 -5.485 11.053 5.014 1.00 0.00 O ATOM 35 CB TRP A 3 -5.517 14.610 4.779 1.00 0.00 C ATOM 36 CG TRP A 3 -4.516 14.797 5.874 1.00 0.00 C ATOM 37 CD1 TRP A 3 -4.561 14.189 7.082 1.00 0.00 C ATOM 38 CD2 TRP A 3 -3.325 15.636 5.883 1.00 0.00 C ATOM 39 NE1 TRP A 3 -3.474 14.602 7.831 1.00 0.00 N ATOM 40 CE2 TRP A 3 -2.683 15.495 7.136 1.00 0.00 C ATOM 41 CE3 TRP A 3 -2.748 16.499 4.935 1.00 0.00 C ATOM 42 CZ2 TRP A 3 -1.509 16.184 7.437 1.00 0.00 C ATOM 43 CZ3 TRP A 3 -1.565 17.194 5.235 1.00 0.00 C ATOM 44 CH2 TRP A 3 -0.947 17.037 6.484 1.00 0.00 C ATOM 0 H TRP A 3 -6.405 12.586 2.397 1.00 0.00 H new ATOM 0 HA TRP A 3 -4.205 13.041 4.085 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -5.436 15.421 4.056 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -6.528 14.645 5.186 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -5.321 13.495 7.408 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -3.280 14.285 8.781 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -3.217 16.628 3.971 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -1.037 16.059 8.400 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -1.129 17.853 4.499 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -0.038 17.575 6.709 1.00 0.00 H new ATOM 55 N ALA A 4 -7.184 12.398 5.362 1.00 0.00 N ATOM 56 CA ALA A 4 -7.917 11.354 6.143 1.00 0.00 C ATOM 57 C ALA A 4 -8.956 10.615 5.297 1.00 0.00 C ATOM 58 O ALA A 4 -9.050 9.404 5.401 1.00 0.00 O ATOM 59 CB ALA A 4 -8.634 12.029 7.313 1.00 0.00 C ATOM 0 H ALA A 4 -7.672 13.289 5.269 1.00 0.00 H new ATOM 0 HA ALA A 4 -7.185 10.624 6.488 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -9.173 11.279 7.891 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -7.902 12.523 7.952 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -9.339 12.767 6.931 1.00 0.00 H new ATOM 65 N LEU A 5 -9.804 11.286 4.519 1.00 0.00 N ATOM 66 CA LEU A 5 -10.867 10.507 3.801 1.00 0.00 C ATOM 67 C LEU A 5 -11.393 9.576 4.860 1.00 0.00 C ATOM 68 O LEU A 5 -11.663 8.439 4.632 1.00 0.00 O ATOM 69 CB LEU A 5 -10.297 9.732 2.609 1.00 0.00 C ATOM 70 CG LEU A 5 -10.818 10.346 1.307 1.00 0.00 C ATOM 71 CD1 LEU A 5 -10.353 11.801 1.205 1.00 0.00 C ATOM 72 CD2 LEU A 5 -10.267 9.557 0.117 1.00 0.00 C ATOM 0 H LEU A 5 -9.801 12.294 4.361 1.00 0.00 H new ATOM 0 HA LEU A 5 -11.639 11.147 3.374 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -9.208 9.763 2.628 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -10.587 8.683 2.671 1.00 0.00 H new ATOM 0 HG LEU A 5 -11.907 10.309 1.300 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -10.724 12.237 0.278 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -10.740 12.367 2.053 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -9.264 11.836 1.212 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -10.637 9.993 -0.811 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -9.178 9.596 0.127 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -10.593 8.519 0.186 1.00 0.00 H new ATOM 84 N GLU A 6 -11.428 10.109 6.058 1.00 0.00 N ATOM 85 CA GLU A 6 -11.832 9.363 7.267 1.00 0.00 C ATOM 86 C GLU A 6 -10.969 8.127 7.427 1.00 0.00 C ATOM 87 O GLU A 6 -11.463 7.019 7.526 1.00 0.00 O ATOM 88 CB GLU A 6 -13.314 8.986 7.202 1.00 0.00 C ATOM 89 CG GLU A 6 -13.907 8.991 8.612 1.00 0.00 C ATOM 90 CD GLU A 6 -13.993 7.556 9.134 1.00 0.00 C ATOM 91 OE1 GLU A 6 -12.969 7.032 9.540 1.00 0.00 O ATOM 92 OE2 GLU A 6 -15.082 7.005 9.118 1.00 0.00 O ATOM 0 H GLU A 6 -11.178 11.081 6.242 1.00 0.00 H new ATOM 0 HA GLU A 6 -11.688 10.004 8.137 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -13.852 9.691 6.568 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -13.429 8.000 6.751 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -13.288 9.594 9.276 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -14.898 9.445 8.600 1.00 0.00 H new ATOM 99 N MET A 7 -9.670 8.301 7.410 1.00 0.00 N ATOM 100 CA MET A 7 -8.765 7.138 7.500 1.00 0.00 C ATOM 101 C MET A 7 -9.001 6.263 6.253 1.00 0.00 C ATOM 102 O MET A 7 -8.226 5.382 5.940 1.00 0.00 O ATOM 103 CB MET A 7 -9.027 6.407 8.812 1.00 0.00 C ATOM 104 CG MET A 7 -9.074 4.888 8.608 1.00 0.00 C ATOM 105 SD MET A 7 -10.713 4.410 8.006 1.00 0.00 S ATOM 106 CE MET A 7 -10.448 2.619 8.021 1.00 0.00 C ATOM 0 H MET A 7 -9.206 9.206 7.337 1.00 0.00 H new ATOM 0 HA MET A 7 -7.714 7.428 7.510 1.00 0.00 H new ATOM 0 HB2 MET A 7 -8.246 6.655 9.530 1.00 0.00 H new ATOM 0 HB3 MET A 7 -9.971 6.748 9.238 1.00 0.00 H new ATOM 0 HG2 MET A 7 -8.309 4.582 7.894 1.00 0.00 H new ATOM 0 HG3 MET A 7 -8.856 4.377 9.546 1.00 0.00 H new ATOM 0 HE1 MET A 7 -11.352 2.115 7.679 1.00 0.00 H new ATOM 0 HE2 MET A 7 -9.619 2.368 7.359 1.00 0.00 H new ATOM 0 HE3 MET A 7 -10.213 2.294 9.035 1.00 0.00 H new ATOM 116 N ALA A 8 -10.033 6.568 5.499 1.00 0.00 N ATOM 117 CA ALA A 8 -10.291 5.839 4.230 1.00 0.00 C ATOM 118 C ALA A 8 -9.164 6.272 3.324 1.00 0.00 C ATOM 119 O ALA A 8 -8.612 5.507 2.564 1.00 0.00 O ATOM 120 CB ALA A 8 -11.629 6.275 3.616 1.00 0.00 C ATOM 0 H ALA A 8 -10.710 7.299 5.717 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.341 4.760 4.379 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -11.798 5.729 2.688 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.437 6.061 4.315 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -11.603 7.345 3.408 1.00 0.00 H new ATOM 126 N ASP A 9 -8.807 7.522 3.455 1.00 0.00 N ATOM 127 CA ASP A 9 -7.685 8.083 2.664 1.00 0.00 C ATOM 128 C ASP A 9 -6.578 7.022 2.513 1.00 0.00 C ATOM 129 O ASP A 9 -6.137 6.719 1.417 1.00 0.00 O ATOM 130 CB ASP A 9 -7.125 9.279 3.455 1.00 0.00 C ATOM 131 CG ASP A 9 -5.742 9.647 2.915 1.00 0.00 C ATOM 132 OD1 ASP A 9 -4.801 8.930 3.215 1.00 0.00 O ATOM 133 OD2 ASP A 9 -5.649 10.635 2.207 1.00 0.00 O ATOM 0 H ASP A 9 -9.256 8.184 4.088 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.025 8.386 1.674 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.799 10.132 3.370 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -7.059 9.029 4.514 1.00 0.00 H new ATOM 138 N THR A 10 -6.130 6.457 3.603 1.00 0.00 N ATOM 139 CA THR A 10 -5.055 5.423 3.529 1.00 0.00 C ATOM 140 C THR A 10 -5.496 4.266 2.627 1.00 0.00 C ATOM 141 O THR A 10 -4.811 3.905 1.696 1.00 0.00 O ATOM 142 CB THR A 10 -4.764 4.878 4.931 1.00 0.00 C ATOM 143 OG1 THR A 10 -4.571 5.962 5.829 1.00 0.00 O ATOM 144 CG2 THR A 10 -3.503 4.013 4.891 1.00 0.00 C ATOM 0 H THR A 10 -6.463 6.667 4.544 1.00 0.00 H new ATOM 0 HA THR A 10 -4.157 5.883 3.116 1.00 0.00 H new ATOM 0 HB THR A 10 -5.606 4.273 5.269 1.00 0.00 H new ATOM 0 HG1 THR A 10 -4.386 5.614 6.727 1.00 0.00 H new ATOM 0 HG21 THR A 10 -3.296 3.625 5.888 1.00 0.00 H new ATOM 0 HG22 THR A 10 -3.654 3.182 4.203 1.00 0.00 H new ATOM 0 HG23 THR A 10 -2.659 4.615 4.553 1.00 0.00 H new ATOM 152 N PHE A 11 -6.624 3.675 2.906 1.00 0.00 N ATOM 153 CA PHE A 11 -7.099 2.532 2.070 1.00 0.00 C ATOM 154 C PHE A 11 -7.081 2.917 0.588 1.00 0.00 C ATOM 155 O PHE A 11 -6.383 2.326 -0.211 1.00 0.00 O ATOM 156 CB PHE A 11 -8.528 2.171 2.479 1.00 0.00 C ATOM 157 CG PHE A 11 -8.498 1.045 3.483 1.00 0.00 C ATOM 158 CD1 PHE A 11 -7.794 1.193 4.683 1.00 0.00 C ATOM 159 CD2 PHE A 11 -9.177 -0.149 3.212 1.00 0.00 C ATOM 160 CE1 PHE A 11 -7.768 0.147 5.613 1.00 0.00 C ATOM 161 CE2 PHE A 11 -9.151 -1.195 4.140 1.00 0.00 C ATOM 162 CZ PHE A 11 -8.447 -1.048 5.341 1.00 0.00 C ATOM 0 H PHE A 11 -7.240 3.933 3.677 1.00 0.00 H new ATOM 0 HA PHE A 11 -6.438 1.679 2.224 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -9.025 3.041 2.908 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -9.104 1.875 1.602 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -7.271 2.114 4.892 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -9.721 -0.262 2.286 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -7.225 0.261 6.540 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -9.674 -2.116 3.930 1.00 0.00 H new ATOM 0 HZ PHE A 11 -8.427 -1.856 6.058 1.00 0.00 H new ATOM 172 N LEU A 12 -7.859 3.895 0.216 1.00 0.00 N ATOM 173 CA LEU A 12 -7.913 4.321 -1.210 1.00 0.00 C ATOM 174 C LEU A 12 -6.501 4.397 -1.804 1.00 0.00 C ATOM 175 O LEU A 12 -6.253 3.924 -2.895 1.00 0.00 O ATOM 176 CB LEU A 12 -8.571 5.699 -1.296 1.00 0.00 C ATOM 177 CG LEU A 12 -8.508 6.203 -2.736 1.00 0.00 C ATOM 178 CD1 LEU A 12 -9.072 5.136 -3.676 1.00 0.00 C ATOM 179 CD2 LEU A 12 -9.338 7.484 -2.864 1.00 0.00 C ATOM 0 H LEU A 12 -8.465 4.422 0.845 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.492 3.591 -1.775 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -9.608 5.640 -0.965 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.063 6.399 -0.632 1.00 0.00 H new ATOM 0 HG LEU A 12 -7.472 6.411 -3.003 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -9.027 5.496 -4.704 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -8.483 4.223 -3.585 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.108 4.928 -3.410 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.294 7.845 -3.892 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.374 7.275 -2.597 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.938 8.245 -2.195 1.00 0.00 H new ATOM 191 N ASP A 13 -5.576 5.002 -1.107 1.00 0.00 N ATOM 192 CA ASP A 13 -4.192 5.116 -1.657 1.00 0.00 C ATOM 193 C ASP A 13 -3.544 3.729 -1.773 1.00 0.00 C ATOM 194 O ASP A 13 -2.778 3.469 -2.681 1.00 0.00 O ATOM 195 CB ASP A 13 -3.346 5.995 -0.734 1.00 0.00 C ATOM 196 CG ASP A 13 -2.074 6.428 -1.467 1.00 0.00 C ATOM 197 OD1 ASP A 13 -2.115 7.452 -2.129 1.00 0.00 O ATOM 198 OD2 ASP A 13 -1.082 5.728 -1.355 1.00 0.00 O ATOM 0 H ASP A 13 -5.716 5.420 -0.187 1.00 0.00 H new ATOM 0 HA ASP A 13 -4.246 5.565 -2.649 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -3.916 6.871 -0.425 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -3.088 5.447 0.172 1.00 0.00 H new ATOM 203 N ASN A 14 -3.832 2.843 -0.861 1.00 0.00 N ATOM 204 CA ASN A 14 -3.220 1.484 -0.918 1.00 0.00 C ATOM 205 C ASN A 14 -3.975 0.607 -1.919 1.00 0.00 C ATOM 206 O ASN A 14 -3.698 -0.567 -2.057 1.00 0.00 O ATOM 207 CB ASN A 14 -3.283 0.842 0.469 1.00 0.00 C ATOM 208 CG ASN A 14 -1.940 1.028 1.177 1.00 0.00 C ATOM 209 OD1 ASN A 14 -1.854 1.737 2.161 1.00 0.00 O ATOM 210 ND2 ASN A 14 -0.883 0.419 0.717 1.00 0.00 N ATOM 0 H ASN A 14 -4.465 3.000 -0.077 1.00 0.00 H new ATOM 0 HA ASN A 14 -2.182 1.574 -1.237 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -4.082 1.296 1.056 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -3.516 -0.219 0.380 1.00 0.00 H new ATOM 0 HD21 ASN A 14 0.017 0.537 1.183 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -0.956 -0.176 -0.109 1.00 0.00 H new ATOM 217 N MET A 15 -4.924 1.161 -2.620 1.00 0.00 N ATOM 218 CA MET A 15 -5.683 0.341 -3.608 1.00 0.00 C ATOM 219 C MET A 15 -5.164 0.629 -5.017 1.00 0.00 C ATOM 220 O MET A 15 -5.897 1.053 -5.889 1.00 0.00 O ATOM 221 CB MET A 15 -7.172 0.684 -3.526 1.00 0.00 C ATOM 222 CG MET A 15 -7.851 -0.253 -2.524 1.00 0.00 C ATOM 223 SD MET A 15 -9.534 0.327 -2.197 1.00 0.00 S ATOM 224 CE MET A 15 -9.647 -0.261 -0.489 1.00 0.00 C ATOM 0 H MET A 15 -5.207 2.139 -2.554 1.00 0.00 H new ATOM 0 HA MET A 15 -5.546 -0.716 -3.382 1.00 0.00 H new ATOM 0 HB2 MET A 15 -7.302 1.721 -3.217 1.00 0.00 H new ATOM 0 HB3 MET A 15 -7.635 0.583 -4.508 1.00 0.00 H new ATOM 0 HG2 MET A 15 -7.876 -1.269 -2.919 1.00 0.00 H new ATOM 0 HG3 MET A 15 -7.280 -0.286 -1.596 1.00 0.00 H new ATOM 0 HE1 MET A 15 -10.580 0.086 -0.046 1.00 0.00 H new ATOM 0 HE2 MET A 15 -9.623 -1.351 -0.477 1.00 0.00 H new ATOM 0 HE3 MET A 15 -8.806 0.127 0.086 1.00 0.00 H new ATOM 234 N ARG A 16 -3.899 0.400 -5.247 1.00 0.00 N ATOM 235 CA ARG A 16 -3.330 0.657 -6.599 1.00 0.00 C ATOM 236 C ARG A 16 -3.475 -0.598 -7.455 1.00 0.00 C ATOM 237 O ARG A 16 -3.389 -0.555 -8.666 1.00 0.00 O ATOM 238 CB ARG A 16 -1.850 1.024 -6.470 1.00 0.00 C ATOM 239 CG ARG A 16 -1.558 2.275 -7.301 1.00 0.00 C ATOM 240 CD ARG A 16 -1.215 3.438 -6.371 1.00 0.00 C ATOM 241 NE ARG A 16 -1.181 4.707 -7.151 1.00 0.00 N ATOM 242 CZ ARG A 16 -0.043 5.306 -7.375 1.00 0.00 C ATOM 243 NH1 ARG A 16 0.221 6.443 -6.793 1.00 0.00 N ATOM 244 NH2 ARG A 16 0.830 4.767 -8.180 1.00 0.00 N ATOM 0 H ARG A 16 -3.236 0.046 -4.557 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.865 1.482 -7.070 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.599 1.203 -5.424 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.228 0.196 -6.810 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -0.730 2.085 -7.984 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -2.424 2.528 -7.913 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -1.954 3.509 -5.573 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -0.249 3.265 -5.896 1.00 0.00 H new ATOM 0 HE ARG A 16 -2.047 5.108 -7.510 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -0.462 6.864 -6.163 1.00 0.00 H new ATOM 0 HH12 ARG A 16 1.110 6.911 -6.968 1.00 0.00 H new ATOM 0 HH21 ARG A 16 0.624 3.878 -8.635 1.00 0.00 H new ATOM 0 HH22 ARG A 16 1.719 5.235 -8.355 1.00 0.00 H new ATOM 258 N VAL A 17 -3.695 -1.717 -6.829 1.00 0.00 N ATOM 259 CA VAL A 17 -3.847 -2.985 -7.595 1.00 0.00 C ATOM 260 C VAL A 17 -5.296 -3.471 -7.505 1.00 0.00 C ATOM 261 O VAL A 17 -5.589 -4.625 -7.746 1.00 0.00 O ATOM 262 CB VAL A 17 -2.914 -4.047 -7.012 1.00 0.00 C ATOM 263 CG1 VAL A 17 -1.494 -3.484 -6.922 1.00 0.00 C ATOM 264 CG2 VAL A 17 -3.395 -4.435 -5.612 1.00 0.00 C ATOM 0 H VAL A 17 -3.777 -1.810 -5.817 1.00 0.00 H new ATOM 0 HA VAL A 17 -3.591 -2.809 -8.640 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.918 -4.926 -7.656 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.828 -4.241 -6.506 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.149 -3.205 -7.918 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.491 -2.605 -6.278 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.730 -5.192 -5.196 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.391 -3.555 -4.969 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -4.407 -4.835 -5.673 1.00 0.00 H new ATOM 274 N GLY A 18 -6.207 -2.602 -7.161 1.00 0.00 N ATOM 275 CA GLY A 18 -7.633 -3.021 -7.059 1.00 0.00 C ATOM 276 C GLY A 18 -8.242 -3.108 -8.462 1.00 0.00 C ATOM 277 O GLY A 18 -7.528 -3.136 -9.446 1.00 0.00 O ATOM 0 H GLY A 18 -6.025 -1.621 -6.947 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -7.704 -3.987 -6.560 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -8.190 -2.307 -6.453 1.00 0.00 H new ATOM 281 N PRO A 19 -9.550 -3.146 -8.508 1.00 0.00 N ATOM 282 CA PRO A 19 -10.300 -3.229 -9.774 1.00 0.00 C ATOM 283 C PRO A 19 -10.360 -1.857 -10.450 1.00 0.00 C ATOM 284 O PRO A 19 -10.268 -1.744 -11.656 1.00 0.00 O ATOM 285 CB PRO A 19 -11.694 -3.683 -9.335 1.00 0.00 C ATOM 286 CG PRO A 19 -11.833 -3.292 -7.844 1.00 0.00 C ATOM 287 CD PRO A 19 -10.401 -3.112 -7.302 1.00 0.00 C ATOM 0 HA PRO A 19 -9.846 -3.904 -10.499 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -12.466 -3.202 -9.936 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -11.811 -4.759 -9.467 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -12.407 -2.372 -7.736 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -12.364 -4.065 -7.288 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -10.294 -2.169 -6.766 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -10.136 -3.907 -6.605 1.00 0.00 H new ATOM 294 N ARG A 20 -10.514 -0.813 -9.682 1.00 0.00 N ATOM 295 CA ARG A 20 -10.580 0.550 -10.281 1.00 0.00 C ATOM 296 C ARG A 20 -10.598 1.597 -9.167 1.00 0.00 C ATOM 297 O ARG A 20 -9.862 2.563 -9.202 1.00 0.00 O ATOM 298 CB ARG A 20 -11.852 0.675 -11.122 1.00 0.00 C ATOM 299 CG ARG A 20 -11.763 1.924 -12.000 1.00 0.00 C ATOM 300 CD ARG A 20 -11.170 1.550 -13.360 1.00 0.00 C ATOM 301 NE ARG A 20 -11.356 2.680 -14.311 1.00 0.00 N ATOM 302 CZ ARG A 20 -12.276 2.608 -15.235 1.00 0.00 C ATOM 303 NH1 ARG A 20 -13.455 2.134 -14.944 1.00 0.00 N ATOM 304 NH2 ARG A 20 -12.015 3.010 -16.449 1.00 0.00 N ATOM 0 H ARG A 20 -10.597 -0.845 -8.666 1.00 0.00 H new ATOM 0 HA ARG A 20 -9.708 0.712 -10.915 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -11.978 -0.211 -11.744 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -12.725 0.736 -10.473 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -12.753 2.361 -12.131 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -11.143 2.678 -11.516 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -10.110 1.320 -13.255 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -11.654 0.653 -13.746 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.766 3.509 -14.241 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -13.658 1.820 -13.995 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -14.174 2.077 -15.665 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -11.092 3.380 -16.676 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -12.734 2.954 -17.171 1.00 0.00 H new ATOM 318 N THR A 21 -11.431 1.409 -8.175 1.00 0.00 N ATOM 319 CA THR A 21 -11.503 2.388 -7.050 1.00 0.00 C ATOM 320 C THR A 21 -11.390 3.812 -7.598 1.00 0.00 C ATOM 321 O THR A 21 -10.308 4.341 -7.758 1.00 0.00 O ATOM 322 CB THR A 21 -10.363 2.131 -6.056 1.00 0.00 C ATOM 323 OG1 THR A 21 -9.958 3.363 -5.476 1.00 0.00 O ATOM 324 CG2 THR A 21 -9.173 1.491 -6.775 1.00 0.00 C ATOM 0 H THR A 21 -12.067 0.615 -8.096 1.00 0.00 H new ATOM 0 HA THR A 21 -12.458 2.269 -6.538 1.00 0.00 H new ATOM 0 HB THR A 21 -10.714 1.454 -5.277 1.00 0.00 H new ATOM 0 HG1 THR A 21 -9.607 3.954 -6.175 1.00 0.00 H new ATOM 0 HG21 THR A 21 -8.369 1.313 -6.061 1.00 0.00 H new ATOM 0 HG22 THR A 21 -9.482 0.544 -7.218 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.819 2.160 -7.560 1.00 0.00 H new ATOM 332 N TYR A 22 -12.499 4.439 -7.882 1.00 0.00 N ATOM 333 CA TYR A 22 -12.449 5.831 -8.418 1.00 0.00 C ATOM 334 C TYR A 22 -13.832 6.277 -8.912 1.00 0.00 C ATOM 335 O TYR A 22 -14.251 7.384 -8.663 1.00 0.00 O ATOM 336 CB TYR A 22 -11.455 5.893 -9.579 1.00 0.00 C ATOM 337 CG TYR A 22 -10.451 6.991 -9.323 1.00 0.00 C ATOM 338 CD1 TYR A 22 -10.864 8.328 -9.332 1.00 0.00 C ATOM 339 CD2 TYR A 22 -9.111 6.674 -9.076 1.00 0.00 C ATOM 340 CE1 TYR A 22 -9.936 9.349 -9.094 1.00 0.00 C ATOM 341 CE2 TYR A 22 -8.183 7.695 -8.838 1.00 0.00 C ATOM 342 CZ TYR A 22 -8.595 9.032 -8.847 1.00 0.00 C ATOM 343 OH TYR A 22 -7.682 10.039 -8.614 1.00 0.00 O ATOM 0 H TYR A 22 -13.435 4.050 -7.767 1.00 0.00 H new ATOM 0 HA TYR A 22 -12.133 6.499 -7.617 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -10.944 4.936 -9.686 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -11.983 6.079 -10.514 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -11.899 8.572 -9.523 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -8.792 5.642 -9.069 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -10.255 10.381 -9.101 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -7.148 7.450 -8.647 1.00 0.00 H new ATOM 0 HH TYR A 22 -6.797 9.648 -8.459 1.00 0.00 H new ATOM 353 N ALA A 23 -14.537 5.444 -9.628 1.00 0.00 N ATOM 354 CA ALA A 23 -15.880 5.859 -10.140 1.00 0.00 C ATOM 355 C ALA A 23 -16.769 6.341 -8.995 1.00 0.00 C ATOM 356 O ALA A 23 -17.497 7.306 -9.117 1.00 0.00 O ATOM 357 CB ALA A 23 -16.548 4.676 -10.840 1.00 0.00 C ATOM 0 H ALA A 23 -14.246 4.500 -9.881 1.00 0.00 H new ATOM 0 HA ALA A 23 -15.745 6.679 -10.846 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -17.526 4.979 -11.213 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -15.927 4.349 -11.674 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -16.667 3.855 -10.133 1.00 0.00 H new ATOM 363 N ASP A 24 -16.723 5.664 -7.897 1.00 0.00 N ATOM 364 CA ASP A 24 -17.573 6.050 -6.729 1.00 0.00 C ATOM 365 C ASP A 24 -17.032 7.323 -6.068 1.00 0.00 C ATOM 366 O ASP A 24 -17.637 8.374 -6.141 1.00 0.00 O ATOM 367 CB ASP A 24 -17.575 4.914 -5.705 1.00 0.00 C ATOM 368 CG ASP A 24 -18.910 4.903 -4.958 1.00 0.00 C ATOM 369 OD1 ASP A 24 -19.798 5.633 -5.364 1.00 0.00 O ATOM 370 OD2 ASP A 24 -19.021 4.167 -3.993 1.00 0.00 O ATOM 0 H ASP A 24 -16.130 4.848 -7.746 1.00 0.00 H new ATOM 0 HA ASP A 24 -18.587 6.238 -7.081 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -17.418 3.959 -6.206 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -16.753 5.043 -5.001 1.00 0.00 H new ATOM 375 N VAL A 25 -15.908 7.231 -5.406 1.00 0.00 N ATOM 376 CA VAL A 25 -15.337 8.432 -4.725 1.00 0.00 C ATOM 377 C VAL A 25 -15.482 9.662 -5.626 1.00 0.00 C ATOM 378 O VAL A 25 -15.862 10.728 -5.185 1.00 0.00 O ATOM 379 CB VAL A 25 -13.855 8.189 -4.425 1.00 0.00 C ATOM 380 CG1 VAL A 25 -13.183 9.506 -4.029 1.00 0.00 C ATOM 381 CG2 VAL A 25 -13.728 7.189 -3.274 1.00 0.00 C ATOM 0 H VAL A 25 -15.360 6.376 -5.307 1.00 0.00 H new ATOM 0 HA VAL A 25 -15.876 8.607 -3.794 1.00 0.00 H new ATOM 0 HB VAL A 25 -13.368 7.790 -5.315 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -12.129 9.327 -3.817 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -13.272 10.220 -4.847 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -13.669 9.910 -3.141 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -12.674 7.014 -3.058 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -14.218 7.591 -2.387 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -14.202 6.248 -3.555 1.00 0.00 H new ATOM 391 N ARG A 26 -15.179 9.521 -6.884 1.00 0.00 N ATOM 392 CA ARG A 26 -15.292 10.675 -7.819 1.00 0.00 C ATOM 393 C ARG A 26 -16.766 11.041 -8.017 1.00 0.00 C ATOM 394 O ARG A 26 -17.121 12.201 -8.091 1.00 0.00 O ATOM 395 CB ARG A 26 -14.679 10.298 -9.170 1.00 0.00 C ATOM 396 CG ARG A 26 -14.941 11.417 -10.176 1.00 0.00 C ATOM 397 CD ARG A 26 -14.078 11.198 -11.419 1.00 0.00 C ATOM 398 NE ARG A 26 -13.339 12.452 -11.734 1.00 0.00 N ATOM 399 CZ ARG A 26 -12.119 12.618 -11.299 1.00 0.00 C ATOM 400 NH1 ARG A 26 -11.779 12.165 -10.123 1.00 0.00 N ATOM 401 NH2 ARG A 26 -11.241 13.236 -12.040 1.00 0.00 N ATOM 0 H ARG A 26 -14.856 8.652 -7.308 1.00 0.00 H new ATOM 0 HA ARG A 26 -14.761 11.529 -7.399 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -13.607 10.135 -9.062 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -15.109 9.363 -9.529 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -15.996 11.434 -10.451 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -14.713 12.384 -9.728 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -13.376 10.382 -11.249 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -14.704 10.909 -12.264 1.00 0.00 H new ATOM 0 HE ARG A 26 -13.786 13.181 -12.290 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -12.466 11.682 -9.544 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -10.826 12.294 -9.783 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -11.508 13.589 -12.959 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -10.288 13.366 -11.700 1.00 0.00 H new ATOM 415 N ASP A 27 -17.626 10.064 -8.112 1.00 0.00 N ATOM 416 CA ASP A 27 -19.074 10.361 -8.312 1.00 0.00 C ATOM 417 C ASP A 27 -19.608 11.138 -7.109 1.00 0.00 C ATOM 418 O ASP A 27 -20.635 11.785 -7.183 1.00 0.00 O ATOM 419 CB ASP A 27 -19.851 9.050 -8.462 1.00 0.00 C ATOM 420 CG ASP A 27 -21.311 9.355 -8.807 1.00 0.00 C ATOM 421 OD1 ASP A 27 -21.554 9.831 -9.904 1.00 0.00 O ATOM 422 OD2 ASP A 27 -22.161 9.108 -7.968 1.00 0.00 O ATOM 0 H ASP A 27 -17.389 9.073 -8.060 1.00 0.00 H new ATOM 0 HA ASP A 27 -19.199 10.960 -9.214 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -19.402 8.437 -9.244 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -19.798 8.476 -7.537 1.00 0.00 H new ATOM 427 N GLU A 28 -18.922 11.088 -6.002 1.00 0.00 N ATOM 428 CA GLU A 28 -19.398 11.833 -4.806 1.00 0.00 C ATOM 429 C GLU A 28 -19.333 13.332 -5.093 1.00 0.00 C ATOM 430 O GLU A 28 -20.111 14.110 -4.569 1.00 0.00 O ATOM 431 CB GLU A 28 -18.513 11.500 -3.604 1.00 0.00 C ATOM 432 CG GLU A 28 -19.110 12.132 -2.345 1.00 0.00 C ATOM 433 CD GLU A 28 -18.071 12.111 -1.224 1.00 0.00 C ATOM 434 OE1 GLU A 28 -16.894 12.190 -1.531 1.00 0.00 O ATOM 435 OE2 GLU A 28 -18.472 12.015 -0.075 1.00 0.00 O ATOM 0 H GLU A 28 -18.055 10.565 -5.874 1.00 0.00 H new ATOM 0 HA GLU A 28 -20.425 11.546 -4.581 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -18.438 10.420 -3.482 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -17.502 11.873 -3.768 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -19.418 13.157 -2.551 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -20.002 11.586 -2.039 1.00 0.00 H new ATOM 442 N ILE A 29 -18.411 13.748 -5.924 1.00 0.00 N ATOM 443 CA ILE A 29 -18.296 15.203 -6.244 1.00 0.00 C ATOM 444 C ILE A 29 -19.507 15.709 -7.041 1.00 0.00 C ATOM 445 O ILE A 29 -19.546 16.847 -7.465 1.00 0.00 O ATOM 446 CB ILE A 29 -17.015 15.452 -7.039 1.00 0.00 C ATOM 447 CG1 ILE A 29 -16.770 16.958 -7.148 1.00 0.00 C ATOM 448 CG2 ILE A 29 -17.159 14.854 -8.441 1.00 0.00 C ATOM 449 CD1 ILE A 29 -15.366 17.282 -6.635 1.00 0.00 C ATOM 0 H ILE A 29 -17.735 13.145 -6.393 1.00 0.00 H new ATOM 0 HA ILE A 29 -18.265 15.752 -5.303 1.00 0.00 H new ATOM 0 HB ILE A 29 -16.173 14.982 -6.530 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -16.874 17.281 -8.184 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -17.516 17.502 -6.568 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -16.245 15.032 -9.008 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -17.335 13.781 -8.363 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -18.000 15.323 -8.952 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -15.189 18.355 -6.712 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -15.279 16.974 -5.593 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -14.628 16.749 -7.234 1.00 0.00 H new ATOM 461 N ASN A 30 -20.499 14.894 -7.229 1.00 0.00 N ATOM 462 CA ASN A 30 -21.709 15.340 -7.973 1.00 0.00 C ATOM 463 C ASN A 30 -22.742 15.865 -6.973 1.00 0.00 C ATOM 464 O ASN A 30 -23.123 17.018 -7.007 1.00 0.00 O ATOM 465 CB ASN A 30 -22.296 14.160 -8.751 1.00 0.00 C ATOM 466 CG ASN A 30 -23.556 14.614 -9.489 1.00 0.00 C ATOM 467 OD1 ASN A 30 -24.591 13.987 -9.389 1.00 0.00 O ATOM 468 ND2 ASN A 30 -23.511 15.686 -10.231 1.00 0.00 N ATOM 0 H ASN A 30 -20.527 13.930 -6.898 1.00 0.00 H new ATOM 0 HA ASN A 30 -21.442 16.131 -8.674 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -21.563 13.778 -9.461 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -22.535 13.344 -8.069 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -24.346 15.998 -10.728 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -22.641 16.212 -10.315 1.00 0.00 H new ATOM 475 N LYS A 31 -23.196 15.029 -6.079 1.00 0.00 N ATOM 476 CA LYS A 31 -24.199 15.474 -5.073 1.00 0.00 C ATOM 477 C LYS A 31 -23.519 16.344 -4.011 1.00 0.00 C ATOM 478 O LYS A 31 -24.157 17.142 -3.353 1.00 0.00 O ATOM 479 CB LYS A 31 -24.819 14.247 -4.400 1.00 0.00 C ATOM 480 CG LYS A 31 -26.155 13.915 -5.068 1.00 0.00 C ATOM 481 CD LYS A 31 -27.207 13.638 -3.993 1.00 0.00 C ATOM 482 CE LYS A 31 -28.567 14.155 -4.463 1.00 0.00 C ATOM 483 NZ LYS A 31 -29.609 13.795 -3.459 1.00 0.00 N ATOM 0 H LYS A 31 -22.913 14.052 -6.003 1.00 0.00 H new ATOM 0 HA LYS A 31 -24.976 16.055 -5.571 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -24.141 13.397 -4.476 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -24.970 14.440 -3.338 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -26.474 14.744 -5.699 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -26.044 13.046 -5.716 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -27.263 12.568 -3.791 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -26.924 14.124 -3.059 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -28.531 15.236 -4.594 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -28.817 13.724 -5.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -30.534 14.146 -3.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -29.648 12.761 -3.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -29.372 14.226 -2.543 1.00 0.00 H new ATOM 497 N ARG A 32 -22.231 16.201 -3.831 1.00 0.00 N ATOM 498 CA ARG A 32 -21.533 17.027 -2.802 1.00 0.00 C ATOM 499 C ARG A 32 -21.057 18.342 -3.428 1.00 0.00 C ATOM 500 O ARG A 32 -20.109 18.950 -2.972 1.00 0.00 O ATOM 501 CB ARG A 32 -20.330 16.257 -2.247 1.00 0.00 C ATOM 502 CG ARG A 32 -19.193 16.263 -3.270 1.00 0.00 C ATOM 503 CD ARG A 32 -18.068 17.177 -2.782 1.00 0.00 C ATOM 504 NE ARG A 32 -17.895 18.306 -3.738 1.00 0.00 N ATOM 505 CZ ARG A 32 -17.276 19.391 -3.360 1.00 0.00 C ATOM 506 NH1 ARG A 32 -17.652 20.015 -2.278 1.00 0.00 N ATOM 507 NH2 ARG A 32 -16.280 19.852 -4.066 1.00 0.00 N ATOM 0 H ARG A 32 -21.637 15.553 -4.348 1.00 0.00 H new ATOM 0 HA ARG A 32 -22.226 17.245 -1.990 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -19.995 16.711 -1.315 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -20.618 15.231 -2.016 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -18.816 15.251 -3.415 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -19.562 16.607 -4.236 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -18.301 17.560 -1.789 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -17.139 16.614 -2.696 1.00 0.00 H new ATOM 0 HE ARG A 32 -18.260 18.231 -4.687 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -18.431 19.655 -1.726 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -17.167 20.863 -1.984 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -15.986 19.364 -4.912 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -15.796 20.700 -3.772 1.00 0.00 H new ATOM 521 N GLY A 33 -21.710 18.785 -4.468 1.00 0.00 N ATOM 522 CA GLY A 33 -21.295 20.061 -5.119 1.00 0.00 C ATOM 523 C GLY A 33 -22.529 20.921 -5.394 1.00 0.00 C ATOM 524 O GLY A 33 -23.137 21.456 -4.489 1.00 0.00 O ATOM 0 H GLY A 33 -22.511 18.320 -4.894 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -20.600 20.600 -4.476 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -20.770 19.852 -6.051 1.00 0.00 H new ATOM 528 N ARG A 34 -22.903 21.060 -6.636 1.00 0.00 N ATOM 529 CA ARG A 34 -24.099 21.885 -6.968 1.00 0.00 C ATOM 530 C ARG A 34 -24.194 22.054 -8.485 1.00 0.00 C ATOM 531 O ARG A 34 -25.126 21.521 -9.063 1.00 0.00 O ATOM 532 CB ARG A 34 -23.972 23.260 -6.307 1.00 0.00 C ATOM 533 CG ARG A 34 -22.589 23.846 -6.595 1.00 0.00 C ATOM 534 CD ARG A 34 -22.376 25.097 -5.741 1.00 0.00 C ATOM 535 NE ARG A 34 -21.016 25.647 -5.999 1.00 0.00 N ATOM 536 CZ ARG A 34 -20.554 26.616 -5.257 1.00 0.00 C ATOM 537 NH1 ARG A 34 -19.702 26.357 -4.303 1.00 0.00 N ATOM 538 NH2 ARG A 34 -20.944 27.843 -5.471 1.00 0.00 N ATOM 539 OXT ARG A 34 -23.332 22.712 -9.044 1.00 0.00 O ATOM 0 H ARG A 34 -22.432 20.638 -7.436 1.00 0.00 H new ATOM 0 HA ARG A 34 -24.997 21.389 -6.600 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -24.746 23.928 -6.684 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -24.123 23.172 -5.231 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -21.817 23.108 -6.376 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -22.501 24.096 -7.652 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -23.133 25.845 -5.977 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -22.487 24.853 -4.685 1.00 0.00 H new ATOM 0 HE ARG A 34 -20.446 25.267 -6.755 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -19.398 25.398 -4.138 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -19.340 27.114 -3.723 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -21.609 28.044 -6.218 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -20.584 28.601 -4.892 1.00 0.00 H new TER 553 ARG A 34