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 163:sc= -0.0608 (180deg=-0.263) USER MOD Single : A 1 MET N :NH3+ 168:sc= 0.111 (180deg=-0.0694) USER MOD Single : A 2 SER OG : rot -3:sc= 0.815 USER MOD Single : A 7 MET CE :methyl -123:sc= -0.0157 (180deg=-0.152) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.334 K(o=-0.33,f=-3!) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0562 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -2.03 K(o=-2,f=-4.5!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.861 17.154 3.916 1.00 0.00 N ATOM 2 CA MET A 1 -15.733 17.280 4.881 1.00 0.00 C ATOM 3 C MET A 1 -16.083 16.548 6.177 1.00 0.00 C ATOM 4 O MET A 1 -15.369 16.625 7.157 1.00 0.00 O ATOM 5 CB MET A 1 -15.484 18.759 5.181 1.00 0.00 C ATOM 6 CG MET A 1 -14.474 19.320 4.179 1.00 0.00 C ATOM 7 SD MET A 1 -15.347 19.905 2.705 1.00 0.00 S ATOM 8 CE MET A 1 -14.704 18.666 1.554 1.00 0.00 C ATOM 0 H1 MET A 1 -16.715 17.812 3.124 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.901 16.180 3.554 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.755 17.383 4.395 1.00 0.00 H new ATOM 0 HA MET A 1 -14.835 16.839 4.449 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.419 19.316 5.121 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.108 18.877 6.197 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.913 20.138 4.631 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.751 18.551 3.906 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.328 18.641 0.660 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.682 18.923 1.276 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.715 17.686 2.031 1.00 0.00 H new ATOM 20 N SER A 2 -17.179 15.838 6.193 1.00 0.00 N ATOM 21 CA SER A 2 -17.571 15.105 7.429 1.00 0.00 C ATOM 22 C SER A 2 -17.965 13.671 7.068 1.00 0.00 C ATOM 23 O SER A 2 -19.069 13.411 6.632 1.00 0.00 O ATOM 24 CB SER A 2 -18.757 15.809 8.085 1.00 0.00 C ATOM 25 OG SER A 2 -19.940 15.517 7.351 1.00 0.00 O ATOM 0 H SER A 2 -17.818 15.735 5.405 1.00 0.00 H new ATOM 0 HA SER A 2 -16.730 15.088 8.123 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.865 15.479 9.118 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.587 16.885 8.111 1.00 0.00 H new ATOM 0 HG SER A 2 -19.714 14.967 6.572 1.00 0.00 H new ATOM 31 N TRP A 3 -17.071 12.739 7.250 1.00 0.00 N ATOM 32 CA TRP A 3 -17.393 11.322 6.920 1.00 0.00 C ATOM 33 C TRP A 3 -16.187 10.440 7.251 1.00 0.00 C ATOM 34 O TRP A 3 -15.431 10.723 8.159 1.00 0.00 O ATOM 35 CB TRP A 3 -17.719 11.206 5.429 1.00 0.00 C ATOM 36 CG TRP A 3 -18.728 10.122 5.219 1.00 0.00 C ATOM 37 CD1 TRP A 3 -18.551 9.038 4.428 1.00 0.00 C ATOM 38 CD2 TRP A 3 -20.063 9.998 5.788 1.00 0.00 C ATOM 39 NE1 TRP A 3 -19.693 8.259 4.477 1.00 0.00 N ATOM 40 CE2 TRP A 3 -20.653 8.808 5.302 1.00 0.00 C ATOM 41 CE3 TRP A 3 -20.814 10.797 6.672 1.00 0.00 C ATOM 42 CZ2 TRP A 3 -21.940 8.422 5.678 1.00 0.00 C ATOM 43 CZ3 TRP A 3 -22.109 10.412 7.053 1.00 0.00 C ATOM 44 CH2 TRP A 3 -22.671 9.227 6.556 1.00 0.00 C ATOM 0 H TRP A 3 -16.131 12.897 7.613 1.00 0.00 H new ATOM 0 HA TRP A 3 -18.254 10.997 7.504 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -18.106 12.154 5.056 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -16.813 10.988 4.864 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -17.664 8.817 3.853 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -19.811 7.385 3.965 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -20.391 11.712 7.059 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -22.368 7.508 5.293 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -22.676 11.032 7.732 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -23.668 8.937 6.852 1.00 0.00 H new ATOM 55 N ALA A 4 -16.000 9.376 6.521 1.00 0.00 N ATOM 56 CA ALA A 4 -14.841 8.480 6.795 1.00 0.00 C ATOM 57 C ALA A 4 -13.746 8.731 5.756 1.00 0.00 C ATOM 58 O ALA A 4 -13.033 7.830 5.366 1.00 0.00 O ATOM 59 CB ALA A 4 -15.295 7.022 6.713 1.00 0.00 C ATOM 0 H ALA A 4 -16.599 9.088 5.747 1.00 0.00 H new ATOM 0 HA ALA A 4 -14.451 8.685 7.792 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -14.448 6.365 6.913 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -16.076 6.842 7.452 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -15.685 6.818 5.716 1.00 0.00 H new ATOM 65 N LEU A 5 -13.607 9.947 5.299 1.00 0.00 N ATOM 66 CA LEU A 5 -12.558 10.243 4.283 1.00 0.00 C ATOM 67 C LEU A 5 -11.173 10.144 4.929 1.00 0.00 C ATOM 68 O LEU A 5 -10.193 9.842 4.277 1.00 0.00 O ATOM 69 CB LEU A 5 -12.766 11.658 3.736 1.00 0.00 C ATOM 70 CG LEU A 5 -11.607 12.026 2.810 1.00 0.00 C ATOM 71 CD1 LEU A 5 -12.111 12.107 1.368 1.00 0.00 C ATOM 72 CD2 LEU A 5 -11.033 13.383 3.226 1.00 0.00 C ATOM 0 H LEU A 5 -14.173 10.746 5.585 1.00 0.00 H new ATOM 0 HA LEU A 5 -12.628 9.522 3.469 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -13.710 11.714 3.194 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -12.828 12.371 4.558 1.00 0.00 H new ATOM 0 HG LEU A 5 -10.830 11.265 2.881 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -11.284 12.369 0.708 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -12.520 11.141 1.071 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -12.888 12.868 1.296 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -10.206 13.646 2.566 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -11.810 14.144 3.155 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -10.673 13.326 4.253 1.00 0.00 H new ATOM 84 N GLU A 6 -11.083 10.399 6.207 1.00 0.00 N ATOM 85 CA GLU A 6 -9.762 10.325 6.894 1.00 0.00 C ATOM 86 C GLU A 6 -9.223 8.893 6.835 1.00 0.00 C ATOM 87 O GLU A 6 -8.149 8.646 6.322 1.00 0.00 O ATOM 88 CB GLU A 6 -9.925 10.748 8.355 1.00 0.00 C ATOM 89 CG GLU A 6 -10.252 12.242 8.422 1.00 0.00 C ATOM 90 CD GLU A 6 -8.954 13.049 8.489 1.00 0.00 C ATOM 91 OE1 GLU A 6 -8.098 12.690 9.281 1.00 0.00 O ATOM 92 OE2 GLU A 6 -8.838 14.012 7.749 1.00 0.00 O ATOM 0 H GLU A 6 -11.868 10.656 6.805 1.00 0.00 H new ATOM 0 HA GLU A 6 -9.060 10.993 6.395 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -10.720 10.170 8.825 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -9.009 10.540 8.909 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -10.831 12.537 7.547 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -10.868 12.451 9.297 1.00 0.00 H new ATOM 99 N MET A 7 -9.954 7.948 7.359 1.00 0.00 N ATOM 100 CA MET A 7 -9.477 6.535 7.337 1.00 0.00 C ATOM 101 C MET A 7 -9.478 6.010 5.898 1.00 0.00 C ATOM 102 O MET A 7 -8.513 5.434 5.437 1.00 0.00 O ATOM 103 CB MET A 7 -10.406 5.672 8.193 1.00 0.00 C ATOM 104 CG MET A 7 -10.089 4.194 7.964 1.00 0.00 C ATOM 105 SD MET A 7 -10.938 3.194 9.211 1.00 0.00 S ATOM 106 CE MET A 7 -12.588 3.261 8.470 1.00 0.00 C ATOM 0 H MET A 7 -10.861 8.093 7.802 1.00 0.00 H new ATOM 0 HA MET A 7 -8.464 6.491 7.736 1.00 0.00 H new ATOM 0 HB2 MET A 7 -10.282 5.922 9.247 1.00 0.00 H new ATOM 0 HB3 MET A 7 -11.446 5.875 7.937 1.00 0.00 H new ATOM 0 HG2 MET A 7 -10.405 3.894 6.965 1.00 0.00 H new ATOM 0 HG3 MET A 7 -9.013 4.029 8.021 1.00 0.00 H new ATOM 0 HE1 MET A 7 -13.294 3.673 9.191 1.00 0.00 H new ATOM 0 HE2 MET A 7 -12.563 3.895 7.584 1.00 0.00 H new ATOM 0 HE3 MET A 7 -12.901 2.256 8.188 1.00 0.00 H new ATOM 116 N ALA A 8 -10.555 6.200 5.187 1.00 0.00 N ATOM 117 CA ALA A 8 -10.622 5.709 3.781 1.00 0.00 C ATOM 118 C ALA A 8 -9.376 6.159 3.015 1.00 0.00 C ATOM 119 O ALA A 8 -8.890 5.468 2.141 1.00 0.00 O ATOM 120 CB ALA A 8 -11.869 6.279 3.101 1.00 0.00 C ATOM 0 H ALA A 8 -11.394 6.675 5.520 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.671 4.620 3.783 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -11.919 5.920 2.073 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.758 5.955 3.642 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -11.819 7.368 3.104 1.00 0.00 H new ATOM 126 N ASP A 9 -8.856 7.313 3.331 1.00 0.00 N ATOM 127 CA ASP A 9 -7.644 7.807 2.617 1.00 0.00 C ATOM 128 C ASP A 9 -6.561 6.724 2.623 1.00 0.00 C ATOM 129 O ASP A 9 -5.933 6.456 1.619 1.00 0.00 O ATOM 130 CB ASP A 9 -7.115 9.059 3.319 1.00 0.00 C ATOM 131 CG ASP A 9 -7.417 10.291 2.463 1.00 0.00 C ATOM 132 OD1 ASP A 9 -6.826 10.409 1.402 1.00 0.00 O ATOM 133 OD2 ASP A 9 -8.232 11.095 2.884 1.00 0.00 O ATOM 0 H ASP A 9 -9.218 7.936 4.053 1.00 0.00 H new ATOM 0 HA ASP A 9 -7.907 8.048 1.587 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.579 9.162 4.300 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -6.041 8.971 3.482 1.00 0.00 H new ATOM 138 N THR A 10 -6.333 6.106 3.750 1.00 0.00 N ATOM 139 CA THR A 10 -5.284 5.048 3.822 1.00 0.00 C ATOM 140 C THR A 10 -5.684 3.857 2.947 1.00 0.00 C ATOM 141 O THR A 10 -4.858 3.253 2.293 1.00 0.00 O ATOM 142 CB THR A 10 -5.132 4.584 5.273 1.00 0.00 C ATOM 143 OG1 THR A 10 -4.503 5.608 6.030 1.00 0.00 O ATOM 144 CG2 THR A 10 -4.279 3.315 5.320 1.00 0.00 C ATOM 0 H THR A 10 -6.827 6.288 4.624 1.00 0.00 H new ATOM 0 HA THR A 10 -4.338 5.454 3.463 1.00 0.00 H new ATOM 0 HB THR A 10 -6.116 4.372 5.692 1.00 0.00 H new ATOM 0 HG1 THR A 10 -4.406 5.315 6.960 1.00 0.00 H new ATOM 0 HG21 THR A 10 -4.172 2.987 6.354 1.00 0.00 H new ATOM 0 HG22 THR A 10 -4.762 2.530 4.738 1.00 0.00 H new ATOM 0 HG23 THR A 10 -3.294 3.523 4.902 1.00 0.00 H new ATOM 152 N PHE A 11 -6.941 3.509 2.933 1.00 0.00 N ATOM 153 CA PHE A 11 -7.385 2.352 2.104 1.00 0.00 C ATOM 154 C PHE A 11 -7.305 2.718 0.619 1.00 0.00 C ATOM 155 O PHE A 11 -6.433 2.266 -0.097 1.00 0.00 O ATOM 156 CB PHE A 11 -8.828 1.991 2.464 1.00 0.00 C ATOM 157 CG PHE A 11 -8.831 0.931 3.540 1.00 0.00 C ATOM 158 CD1 PHE A 11 -8.332 1.225 4.814 1.00 0.00 C ATOM 159 CD2 PHE A 11 -9.333 -0.346 3.263 1.00 0.00 C ATOM 160 CE1 PHE A 11 -8.336 0.243 5.813 1.00 0.00 C ATOM 161 CE2 PHE A 11 -9.337 -1.329 4.260 1.00 0.00 C ATOM 162 CZ PHE A 11 -8.838 -1.034 5.535 1.00 0.00 C ATOM 0 H PHE A 11 -7.680 3.975 3.459 1.00 0.00 H new ATOM 0 HA PHE A 11 -6.736 1.499 2.299 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -9.360 2.877 2.811 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -9.354 1.629 1.581 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -7.943 2.210 5.027 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -9.717 -0.573 2.280 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -7.952 0.471 6.797 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -9.725 -2.314 4.046 1.00 0.00 H new ATOM 0 HZ PHE A 11 -8.840 -1.792 6.304 1.00 0.00 H new ATOM 172 N LEU A 12 -8.214 3.530 0.151 1.00 0.00 N ATOM 173 CA LEU A 12 -8.203 3.926 -1.287 1.00 0.00 C ATOM 174 C LEU A 12 -6.769 4.215 -1.740 1.00 0.00 C ATOM 175 O LEU A 12 -6.351 3.805 -2.805 1.00 0.00 O ATOM 176 CB LEU A 12 -9.056 5.185 -1.469 1.00 0.00 C ATOM 177 CG LEU A 12 -9.726 5.159 -2.844 1.00 0.00 C ATOM 178 CD1 LEU A 12 -10.915 4.196 -2.817 1.00 0.00 C ATOM 179 CD2 LEU A 12 -10.221 6.564 -3.195 1.00 0.00 C ATOM 0 H LEU A 12 -8.967 3.938 0.705 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.609 3.112 -1.887 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -9.812 5.240 -0.686 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.434 6.075 -1.374 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.006 4.826 -3.591 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.391 4.179 -3.797 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.566 3.194 -2.565 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.635 4.528 -2.069 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.699 6.547 -4.175 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.941 6.894 -2.446 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -9.377 7.253 -3.215 1.00 0.00 H new ATOM 191 N ASP A 13 -6.014 4.924 -0.946 1.00 0.00 N ATOM 192 CA ASP A 13 -4.611 5.245 -1.337 1.00 0.00 C ATOM 193 C ASP A 13 -3.819 3.952 -1.547 1.00 0.00 C ATOM 194 O ASP A 13 -3.308 3.693 -2.619 1.00 0.00 O ATOM 195 CB ASP A 13 -3.953 6.073 -0.231 1.00 0.00 C ATOM 196 CG ASP A 13 -2.576 6.548 -0.697 1.00 0.00 C ATOM 197 OD1 ASP A 13 -2.510 7.173 -1.742 1.00 0.00 O ATOM 198 OD2 ASP A 13 -1.611 6.278 -0.001 1.00 0.00 O ATOM 0 H ASP A 13 -6.308 5.295 -0.043 1.00 0.00 H new ATOM 0 HA ASP A 13 -4.618 5.814 -2.267 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -4.580 6.930 0.018 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -3.855 5.476 0.675 1.00 0.00 H new ATOM 203 N ASN A 14 -3.706 3.140 -0.532 1.00 0.00 N ATOM 204 CA ASN A 14 -2.942 1.869 -0.674 1.00 0.00 C ATOM 205 C ASN A 14 -3.377 1.152 -1.952 1.00 0.00 C ATOM 206 O ASN A 14 -2.625 0.398 -2.539 1.00 0.00 O ATOM 207 CB ASN A 14 -3.215 0.971 0.535 1.00 0.00 C ATOM 208 CG ASN A 14 -2.030 1.040 1.498 1.00 0.00 C ATOM 209 OD1 ASN A 14 -1.129 1.835 1.316 1.00 0.00 O ATOM 210 ND2 ASN A 14 -1.989 0.232 2.524 1.00 0.00 N ATOM 0 H ASN A 14 -4.110 3.302 0.390 1.00 0.00 H new ATOM 0 HA ASN A 14 -1.876 2.090 -0.728 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -4.127 1.290 1.040 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -3.374 -0.057 0.210 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -1.201 0.269 3.171 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -2.745 -0.436 2.678 1.00 0.00 H new ATOM 217 N MET A 15 -4.584 1.378 -2.390 1.00 0.00 N ATOM 218 CA MET A 15 -5.062 0.707 -3.631 1.00 0.00 C ATOM 219 C MET A 15 -5.268 1.751 -4.731 1.00 0.00 C ATOM 220 O MET A 15 -6.332 1.858 -5.306 1.00 0.00 O ATOM 221 CB MET A 15 -6.387 -0.007 -3.351 1.00 0.00 C ATOM 222 CG MET A 15 -6.274 -0.804 -2.050 1.00 0.00 C ATOM 223 SD MET A 15 -4.926 -2.004 -2.192 1.00 0.00 S ATOM 224 CE MET A 15 -5.288 -2.927 -0.678 1.00 0.00 C ATOM 0 H MET A 15 -5.260 1.998 -1.943 1.00 0.00 H new ATOM 0 HA MET A 15 -4.319 -0.022 -3.956 1.00 0.00 H new ATOM 0 HB2 MET A 15 -7.195 0.721 -3.275 1.00 0.00 H new ATOM 0 HB3 MET A 15 -6.635 -0.673 -4.177 1.00 0.00 H new ATOM 0 HG2 MET A 15 -6.089 -0.130 -1.213 1.00 0.00 H new ATOM 0 HG3 MET A 15 -7.213 -1.318 -1.843 1.00 0.00 H new ATOM 0 HE1 MET A 15 -4.564 -3.734 -0.562 1.00 0.00 H new ATOM 0 HE2 MET A 15 -5.226 -2.257 0.180 1.00 0.00 H new ATOM 0 HE3 MET A 15 -6.292 -3.347 -0.739 1.00 0.00 H new ATOM 234 N ARG A 16 -4.256 2.519 -5.029 1.00 0.00 N ATOM 235 CA ARG A 16 -4.395 3.552 -6.094 1.00 0.00 C ATOM 236 C ARG A 16 -4.435 2.870 -7.463 1.00 0.00 C ATOM 237 O ARG A 16 -4.718 3.488 -8.469 1.00 0.00 O ATOM 238 CB ARG A 16 -3.204 4.513 -6.034 1.00 0.00 C ATOM 239 CG ARG A 16 -1.912 3.713 -5.847 1.00 0.00 C ATOM 240 CD ARG A 16 -0.755 4.444 -6.529 1.00 0.00 C ATOM 241 NE ARG A 16 -0.195 3.587 -7.612 1.00 0.00 N ATOM 242 CZ ARG A 16 0.233 4.134 -8.718 1.00 0.00 C ATOM 243 NH1 ARG A 16 1.118 5.092 -8.671 1.00 0.00 N ATOM 244 NH2 ARG A 16 -0.224 3.723 -9.869 1.00 0.00 N ATOM 0 H ARG A 16 -3.340 2.476 -4.582 1.00 0.00 H new ATOM 0 HA ARG A 16 -5.318 4.111 -5.940 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -3.151 5.101 -6.950 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -3.331 5.216 -5.211 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.701 3.587 -4.785 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -2.025 2.715 -6.270 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -1.102 5.391 -6.943 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.020 4.680 -5.800 1.00 0.00 H new ATOM 0 HE ARG A 16 -0.146 2.576 -7.490 1.00 0.00 H new ATOM 0 HH11 ARG A 16 1.475 5.413 -7.771 1.00 0.00 H new ATOM 0 HH12 ARG A 16 1.453 5.520 -9.534 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -0.916 2.974 -9.905 1.00 0.00 H new ATOM 0 HH22 ARG A 16 0.110 4.150 -10.733 1.00 0.00 H new ATOM 258 N VAL A 17 -4.155 1.598 -7.504 1.00 0.00 N ATOM 259 CA VAL A 17 -4.178 0.867 -8.803 1.00 0.00 C ATOM 260 C VAL A 17 -4.342 -0.630 -8.536 1.00 0.00 C ATOM 261 O VAL A 17 -3.616 -1.451 -9.063 1.00 0.00 O ATOM 262 CB VAL A 17 -2.867 1.114 -9.551 1.00 0.00 C ATOM 263 CG1 VAL A 17 -1.729 0.369 -8.851 1.00 0.00 C ATOM 264 CG2 VAL A 17 -2.997 0.608 -10.988 1.00 0.00 C ATOM 0 H VAL A 17 -3.910 1.031 -6.692 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.011 1.223 -9.409 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.651 2.182 -9.558 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.795 0.546 -9.385 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.635 0.729 -7.826 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.945 -0.699 -8.842 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.063 0.784 -11.522 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.214 -0.460 -10.979 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.806 1.139 -11.489 1.00 0.00 H new ATOM 274 N GLY A 18 -5.291 -0.991 -7.718 1.00 0.00 N ATOM 275 CA GLY A 18 -5.509 -2.432 -7.409 1.00 0.00 C ATOM 276 C GLY A 18 -5.918 -3.188 -8.677 1.00 0.00 C ATOM 277 O GLY A 18 -5.341 -4.209 -8.996 1.00 0.00 O ATOM 0 H GLY A 18 -5.928 -0.347 -7.248 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -4.598 -2.865 -6.996 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -6.284 -2.536 -6.649 1.00 0.00 H new ATOM 281 N PRO A 19 -6.908 -2.669 -9.360 1.00 0.00 N ATOM 282 CA PRO A 19 -7.422 -3.285 -10.595 1.00 0.00 C ATOM 283 C PRO A 19 -6.498 -2.982 -11.778 1.00 0.00 C ATOM 284 O PRO A 19 -6.603 -1.953 -12.418 1.00 0.00 O ATOM 285 CB PRO A 19 -8.793 -2.629 -10.780 1.00 0.00 C ATOM 286 CG PRO A 19 -8.751 -1.298 -9.990 1.00 0.00 C ATOM 287 CD PRO A 19 -7.605 -1.425 -8.969 1.00 0.00 C ATOM 0 HA PRO A 19 -7.481 -4.372 -10.538 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -8.998 -2.448 -11.835 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -9.587 -3.277 -10.408 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -8.581 -0.455 -10.660 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -9.700 -1.117 -9.486 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -6.937 -0.564 -9.010 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -7.985 -1.485 -7.949 1.00 0.00 H new ATOM 294 N ARG A 20 -5.597 -3.877 -12.075 1.00 0.00 N ATOM 295 CA ARG A 20 -4.662 -3.662 -13.217 1.00 0.00 C ATOM 296 C ARG A 20 -4.198 -5.025 -13.733 1.00 0.00 C ATOM 297 O ARG A 20 -4.758 -5.570 -14.664 1.00 0.00 O ATOM 298 CB ARG A 20 -3.451 -2.850 -12.750 1.00 0.00 C ATOM 299 CG ARG A 20 -2.399 -2.816 -13.861 1.00 0.00 C ATOM 300 CD ARG A 20 -1.220 -1.944 -13.425 1.00 0.00 C ATOM 301 NE ARG A 20 -0.801 -1.071 -14.559 1.00 0.00 N ATOM 302 CZ ARG A 20 -0.389 0.147 -14.330 1.00 0.00 C ATOM 303 NH1 ARG A 20 -1.157 0.984 -13.687 1.00 0.00 N ATOM 304 NH2 ARG A 20 0.790 0.525 -14.742 1.00 0.00 N ATOM 0 H ARG A 20 -5.467 -4.755 -11.572 1.00 0.00 H new ATOM 0 HA ARG A 20 -5.169 -3.115 -14.012 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.757 -1.836 -12.493 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.029 -3.293 -11.848 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -2.055 -3.827 -14.081 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.837 -2.421 -14.778 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -1.503 -1.334 -12.567 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -0.387 -2.572 -13.108 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.836 -1.426 -15.515 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -2.078 0.686 -13.364 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -0.836 1.936 -13.507 1.00 0.00 H new ATOM 0 HH21 ARG A 20 1.390 -0.131 -15.243 1.00 0.00 H new ATOM 0 HH22 ARG A 20 1.112 1.476 -14.563 1.00 0.00 H new ATOM 318 N THR A 21 -3.190 -5.586 -13.126 1.00 0.00 N ATOM 319 CA THR A 21 -2.704 -6.922 -13.570 1.00 0.00 C ATOM 320 C THR A 21 -3.413 -8.000 -12.748 1.00 0.00 C ATOM 321 O THR A 21 -3.541 -7.886 -11.546 1.00 0.00 O ATOM 322 CB THR A 21 -1.192 -7.017 -13.355 1.00 0.00 C ATOM 323 OG1 THR A 21 -0.718 -5.793 -12.801 1.00 0.00 O ATOM 324 CG2 THR A 21 -0.501 -7.284 -14.694 1.00 0.00 C ATOM 0 H THR A 21 -2.682 -5.177 -12.342 1.00 0.00 H new ATOM 0 HA THR A 21 -2.919 -7.063 -14.629 1.00 0.00 H new ATOM 0 HB THR A 21 -0.969 -7.834 -12.669 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.250 -5.851 -12.660 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.576 -7.352 -14.541 1.00 0.00 H new ATOM 0 HG22 THR A 21 -0.868 -8.222 -15.112 1.00 0.00 H new ATOM 0 HG23 THR A 21 -0.719 -6.469 -15.385 1.00 0.00 H new ATOM 332 N TYR A 22 -3.875 -9.042 -13.384 1.00 0.00 N ATOM 333 CA TYR A 22 -4.580 -10.124 -12.630 1.00 0.00 C ATOM 334 C TYR A 22 -5.387 -11.001 -13.590 1.00 0.00 C ATOM 335 O TYR A 22 -5.435 -12.200 -13.437 1.00 0.00 O ATOM 336 CB TYR A 22 -5.526 -9.502 -11.598 1.00 0.00 C ATOM 337 CG TYR A 22 -5.037 -9.826 -10.205 1.00 0.00 C ATOM 338 CD1 TYR A 22 -4.950 -11.159 -9.787 1.00 0.00 C ATOM 339 CD2 TYR A 22 -4.673 -8.793 -9.332 1.00 0.00 C ATOM 340 CE1 TYR A 22 -4.497 -11.460 -8.497 1.00 0.00 C ATOM 341 CE2 TYR A 22 -4.220 -9.094 -8.042 1.00 0.00 C ATOM 342 CZ TYR A 22 -4.132 -10.428 -7.624 1.00 0.00 C ATOM 343 OH TYR A 22 -3.687 -10.725 -6.352 1.00 0.00 O ATOM 0 H TYR A 22 -3.796 -9.193 -14.390 1.00 0.00 H new ATOM 0 HA TYR A 22 -3.836 -10.739 -12.124 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -5.573 -8.422 -11.736 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -6.537 -9.885 -11.738 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -5.232 -11.955 -10.460 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -4.742 -7.764 -9.654 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -4.429 -12.489 -8.175 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -3.938 -8.298 -7.369 1.00 0.00 H new ATOM 0 HH TYR A 22 -3.474 -9.894 -5.878 1.00 0.00 H new ATOM 353 N ALA A 23 -6.028 -10.425 -14.571 1.00 0.00 N ATOM 354 CA ALA A 23 -6.818 -11.257 -15.522 1.00 0.00 C ATOM 355 C ALA A 23 -5.897 -12.259 -16.209 1.00 0.00 C ATOM 356 O ALA A 23 -5.809 -13.415 -15.836 1.00 0.00 O ATOM 357 CB ALA A 23 -7.465 -10.355 -16.574 1.00 0.00 C ATOM 0 H ALA A 23 -6.039 -9.422 -14.754 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.594 -11.793 -14.976 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.043 -10.964 -17.270 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.125 -9.639 -16.084 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -6.689 -9.818 -17.120 1.00 0.00 H new ATOM 363 N ASP A 24 -5.218 -11.812 -17.213 1.00 0.00 N ATOM 364 CA ASP A 24 -4.289 -12.706 -17.964 1.00 0.00 C ATOM 365 C ASP A 24 -3.464 -13.548 -16.987 1.00 0.00 C ATOM 366 O ASP A 24 -3.537 -14.762 -16.987 1.00 0.00 O ATOM 367 CB ASP A 24 -3.344 -11.857 -18.818 1.00 0.00 C ATOM 368 CG ASP A 24 -4.129 -10.726 -19.484 1.00 0.00 C ATOM 369 OD1 ASP A 24 -4.725 -10.974 -20.519 1.00 0.00 O ATOM 370 OD2 ASP A 24 -4.120 -9.630 -18.947 1.00 0.00 O ATOM 0 H ASP A 24 -5.262 -10.853 -17.557 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.874 -13.368 -18.603 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.549 -11.444 -18.197 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.867 -12.478 -19.577 1.00 0.00 H new ATOM 375 N VAL A 25 -2.670 -12.918 -16.164 1.00 0.00 N ATOM 376 CA VAL A 25 -1.833 -13.689 -15.199 1.00 0.00 C ATOM 377 C VAL A 25 -2.668 -14.789 -14.549 1.00 0.00 C ATOM 378 O VAL A 25 -2.229 -15.908 -14.399 1.00 0.00 O ATOM 379 CB VAL A 25 -1.296 -12.748 -14.120 1.00 0.00 C ATOM 380 CG1 VAL A 25 -0.186 -11.876 -14.707 1.00 0.00 C ATOM 381 CG2 VAL A 25 -2.431 -11.856 -13.613 1.00 0.00 C ATOM 0 H VAL A 25 -2.564 -11.905 -16.118 1.00 0.00 H new ATOM 0 HA VAL A 25 -0.998 -14.143 -15.734 1.00 0.00 H new ATOM 0 HB VAL A 25 -0.896 -13.335 -13.293 1.00 0.00 H new ATOM 0 HG11 VAL A 25 0.196 -11.206 -13.937 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.623 -12.511 -15.069 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.584 -11.289 -15.534 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.050 -11.184 -12.844 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -2.831 -11.270 -14.441 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.222 -12.477 -13.193 1.00 0.00 H new ATOM 391 N ARG A 26 -3.866 -14.484 -14.159 1.00 0.00 N ATOM 392 CA ARG A 26 -4.718 -15.523 -13.521 1.00 0.00 C ATOM 393 C ARG A 26 -4.943 -16.664 -14.499 1.00 0.00 C ATOM 394 O ARG A 26 -4.510 -17.750 -14.233 1.00 0.00 O ATOM 395 CB ARG A 26 -6.052 -14.899 -13.095 1.00 0.00 C ATOM 396 CG ARG A 26 -5.935 -14.408 -11.649 1.00 0.00 C ATOM 397 CD ARG A 26 -7.186 -13.617 -11.265 1.00 0.00 C ATOM 398 NE ARG A 26 -7.810 -14.242 -10.064 1.00 0.00 N ATOM 399 CZ ARG A 26 -8.255 -13.494 -9.094 1.00 0.00 C ATOM 400 NH1 ARG A 26 -7.522 -13.297 -8.032 1.00 0.00 N ATOM 401 NH2 ARG A 26 -9.434 -12.942 -9.183 1.00 0.00 N ATOM 0 H ARG A 26 -4.295 -13.563 -14.252 1.00 0.00 H new ATOM 0 HA ARG A 26 -4.221 -15.918 -12.635 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -6.307 -14.069 -13.755 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -6.854 -15.632 -13.180 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -5.810 -15.257 -10.977 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -5.050 -13.781 -11.539 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -6.925 -12.579 -11.056 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -7.894 -13.607 -12.094 1.00 0.00 H new ATOM 0 HE ARG A 26 -7.889 -15.257 -10.001 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -6.601 -13.729 -7.961 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -7.871 -12.711 -7.273 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -10.008 -13.096 -10.012 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -9.782 -12.357 -8.423 1.00 0.00 H new ATOM 415 N ASP A 27 -5.574 -16.445 -15.632 1.00 0.00 N ATOM 416 CA ASP A 27 -5.768 -17.583 -16.604 1.00 0.00 C ATOM 417 C ASP A 27 -4.504 -18.427 -16.620 1.00 0.00 C ATOM 418 O ASP A 27 -4.568 -19.609 -16.853 1.00 0.00 O ATOM 419 CB ASP A 27 -6.060 -17.041 -18.005 1.00 0.00 C ATOM 420 CG ASP A 27 -7.341 -16.206 -17.971 1.00 0.00 C ATOM 421 OD1 ASP A 27 -8.365 -16.746 -17.586 1.00 0.00 O ATOM 422 OD2 ASP A 27 -7.277 -15.042 -18.329 1.00 0.00 O ATOM 0 H ASP A 27 -5.958 -15.547 -15.926 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.616 -18.193 -16.293 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.225 -16.432 -18.352 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.169 -17.865 -18.710 1.00 0.00 H new ATOM 427 N GLU A 28 -3.374 -17.842 -16.287 1.00 0.00 N ATOM 428 CA GLU A 28 -2.146 -18.634 -16.175 1.00 0.00 C ATOM 429 C GLU A 28 -2.429 -19.560 -15.013 1.00 0.00 C ATOM 430 O GLU A 28 -2.184 -19.231 -13.874 1.00 0.00 O ATOM 431 CB GLU A 28 -0.935 -17.743 -15.882 1.00 0.00 C ATOM 432 CG GLU A 28 -0.984 -16.504 -16.780 1.00 0.00 C ATOM 433 CD GLU A 28 0.364 -15.782 -16.730 1.00 0.00 C ATOM 434 OE1 GLU A 28 1.181 -16.151 -15.902 1.00 0.00 O ATOM 435 OE2 GLU A 28 0.557 -14.874 -17.522 1.00 0.00 O ATOM 0 H GLU A 28 -3.269 -16.846 -16.091 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.902 -19.165 -17.095 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.934 -17.445 -14.833 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.012 -18.296 -16.057 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.215 -16.794 -17.805 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.779 -15.835 -16.451 1.00 0.00 H new ATOM 442 N ILE A 29 -3.043 -20.663 -15.326 1.00 0.00 N ATOM 443 CA ILE A 29 -3.512 -21.651 -14.302 1.00 0.00 C ATOM 444 C ILE A 29 -4.973 -21.309 -13.979 1.00 0.00 C ATOM 445 O ILE A 29 -5.299 -21.116 -12.826 1.00 0.00 O ATOM 446 CB ILE A 29 -2.718 -21.508 -13.005 1.00 0.00 C ATOM 447 CG1 ILE A 29 -1.219 -21.669 -13.283 1.00 0.00 C ATOM 448 CG2 ILE A 29 -3.172 -22.602 -12.033 1.00 0.00 C ATOM 449 CD1 ILE A 29 -0.981 -22.962 -14.067 1.00 0.00 C ATOM 0 H ILE A 29 -3.250 -20.936 -16.287 1.00 0.00 H new ATOM 0 HA ILE A 29 -3.389 -22.662 -14.691 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.893 -20.521 -12.577 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -0.850 -20.814 -13.850 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.665 -21.693 -12.345 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.614 -22.514 -11.100 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -4.237 -22.490 -11.831 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.988 -23.581 -12.475 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.085 -23.077 -14.265 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.335 -23.812 -13.483 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.523 -22.920 -15.012 1.00 0.00 H new ATOM 461 N ASN A 30 -5.846 -21.195 -14.982 1.00 0.00 N ATOM 462 CA ASN A 30 -7.255 -20.800 -14.742 1.00 0.00 C ATOM 463 C ASN A 30 -7.340 -19.924 -13.508 1.00 0.00 C ATOM 464 O ASN A 30 -8.276 -20.008 -12.744 1.00 0.00 O ATOM 465 CB ASN A 30 -8.139 -22.012 -14.599 1.00 0.00 C ATOM 466 CG ASN A 30 -7.539 -22.983 -13.580 1.00 0.00 C ATOM 467 OD1 ASN A 30 -7.236 -22.604 -12.466 1.00 0.00 O ATOM 468 ND2 ASN A 30 -7.354 -24.230 -13.917 1.00 0.00 N ATOM 0 H ASN A 30 -5.616 -21.366 -15.961 1.00 0.00 H new ATOM 0 HA ASN A 30 -7.609 -20.233 -15.603 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -9.136 -21.709 -14.281 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -8.249 -22.507 -15.564 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -6.955 -24.886 -13.245 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -7.608 -24.549 -14.852 1.00 0.00 H new ATOM 475 N LYS A 31 -6.339 -19.087 -13.350 1.00 0.00 N ATOM 476 CA LYS A 31 -6.258 -18.123 -12.189 1.00 0.00 C ATOM 477 C LYS A 31 -5.130 -18.479 -11.206 1.00 0.00 C ATOM 478 O LYS A 31 -5.356 -18.558 -10.015 1.00 0.00 O ATOM 479 CB LYS A 31 -7.582 -18.051 -11.415 1.00 0.00 C ATOM 480 CG LYS A 31 -8.702 -17.572 -12.346 1.00 0.00 C ATOM 481 CD LYS A 31 -9.185 -16.189 -11.905 1.00 0.00 C ATOM 482 CE LYS A 31 -10.305 -15.720 -12.836 1.00 0.00 C ATOM 483 NZ LYS A 31 -11.615 -15.816 -12.129 1.00 0.00 N ATOM 0 H LYS A 31 -5.550 -19.027 -13.994 1.00 0.00 H new ATOM 0 HA LYS A 31 -6.042 -17.151 -12.632 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.829 -19.031 -11.008 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.483 -17.370 -10.570 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.341 -17.531 -13.374 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -9.531 -18.280 -12.328 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -9.545 -16.228 -10.877 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.358 -15.479 -11.927 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -10.124 -14.692 -13.150 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -10.321 -16.331 -13.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -12.376 -15.497 -12.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -11.788 -16.803 -11.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -11.596 -15.215 -11.280 1.00 0.00 H new ATOM 497 N ARG A 32 -3.910 -18.656 -11.662 1.00 0.00 N ATOM 498 CA ARG A 32 -2.815 -18.951 -10.713 1.00 0.00 C ATOM 499 C ARG A 32 -1.486 -18.674 -11.417 1.00 0.00 C ATOM 500 O ARG A 32 -1.383 -17.782 -12.234 1.00 0.00 O ATOM 501 CB ARG A 32 -2.894 -20.411 -10.264 1.00 0.00 C ATOM 502 CG ARG A 32 -2.669 -20.493 -8.754 1.00 0.00 C ATOM 503 CD ARG A 32 -2.496 -21.957 -8.338 1.00 0.00 C ATOM 504 NE ARG A 32 -2.254 -22.031 -6.868 1.00 0.00 N ATOM 505 CZ ARG A 32 -2.879 -21.218 -6.060 1.00 0.00 C ATOM 506 NH1 ARG A 32 -2.215 -20.287 -5.430 1.00 0.00 N ATOM 507 NH2 ARG A 32 -4.167 -21.333 -5.884 1.00 0.00 N ATOM 0 H ARG A 32 -3.638 -18.607 -12.644 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.899 -18.322 -9.827 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -3.867 -20.829 -10.521 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -2.144 -21.004 -10.787 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -1.785 -19.919 -8.476 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -3.514 -20.052 -8.226 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -3.387 -22.528 -8.600 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -1.661 -22.403 -8.878 1.00 0.00 H new ATOM 0 HE ARG A 32 -1.599 -22.718 -6.494 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -1.209 -20.195 -5.569 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -2.703 -19.651 -4.799 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -4.686 -22.059 -6.378 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -4.654 -20.697 -5.252 1.00 0.00 H new ATOM 521 N GLY A 33 -0.478 -19.432 -11.112 1.00 0.00 N ATOM 522 CA GLY A 33 0.850 -19.224 -11.759 1.00 0.00 C ATOM 523 C GLY A 33 1.138 -17.726 -11.883 1.00 0.00 C ATOM 524 O GLY A 33 1.017 -17.149 -12.945 1.00 0.00 O ATOM 0 H GLY A 33 -0.512 -20.195 -10.436 1.00 0.00 H new ATOM 0 HA2 GLY A 33 1.631 -19.706 -11.171 1.00 0.00 H new ATOM 0 HA3 GLY A 33 0.861 -19.689 -12.745 1.00 0.00 H new ATOM 528 N ARG A 34 1.514 -17.090 -10.807 1.00 0.00 N ATOM 529 CA ARG A 34 1.804 -15.630 -10.873 1.00 0.00 C ATOM 530 C ARG A 34 2.942 -15.380 -11.865 1.00 0.00 C ATOM 531 O ARG A 34 3.206 -14.225 -12.154 1.00 0.00 O ATOM 532 CB ARG A 34 2.215 -15.126 -9.489 1.00 0.00 C ATOM 533 CG ARG A 34 3.415 -15.930 -8.986 1.00 0.00 C ATOM 534 CD ARG A 34 4.707 -15.308 -9.520 1.00 0.00 C ATOM 535 NE ARG A 34 5.855 -15.764 -8.686 1.00 0.00 N ATOM 536 CZ ARG A 34 6.079 -17.040 -8.526 1.00 0.00 C ATOM 537 NH1 ARG A 34 7.094 -17.604 -9.120 1.00 0.00 N ATOM 538 NH2 ARG A 34 5.286 -17.752 -7.773 1.00 0.00 N ATOM 539 OXT ARG A 34 3.530 -16.348 -12.318 1.00 0.00 O ATOM 0 H ARG A 34 1.633 -17.517 -9.888 1.00 0.00 H new ATOM 0 HA ARG A 34 0.911 -15.098 -11.202 1.00 0.00 H new ATOM 0 HB2 ARG A 34 2.468 -14.067 -9.537 1.00 0.00 H new ATOM 0 HB3 ARG A 34 1.382 -15.223 -8.793 1.00 0.00 H new ATOM 0 HG2 ARG A 34 3.428 -15.941 -7.896 1.00 0.00 H new ATOM 0 HG3 ARG A 34 3.335 -16.966 -9.314 1.00 0.00 H new ATOM 0 HD2 ARG A 34 4.861 -15.597 -10.560 1.00 0.00 H new ATOM 0 HD3 ARG A 34 4.636 -14.220 -9.499 1.00 0.00 H new ATOM 0 HE ARG A 34 6.466 -15.079 -8.240 1.00 0.00 H new ATOM 0 HH11 ARG A 34 7.713 -17.048 -9.710 1.00 0.00 H new ATOM 0 HH12 ARG A 34 7.269 -18.601 -8.995 1.00 0.00 H new ATOM 0 HH21 ARG A 34 4.491 -17.311 -7.310 1.00 0.00 H new ATOM 0 HH22 ARG A 34 5.461 -18.749 -7.648 1.00 0.00 H new TER 553 ARG A 34