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 -177:sc= 0 (180deg=-0.00956) USER MOD Single : A 1 MET N :NH3+ 180:sc= -0.0727 (180deg=-0.0727) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0513 USER MOD Single : A 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot -11:sc= 0.12 USER MOD Single : A 14 ASN : amide:sc= -0.255 K(o=-0.25,f=-2.6!) USER MOD Single : A 15 MET CE :methyl 175:sc= -1.93 (180deg=-1.97) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0878 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN :FLIP amide:sc= -2.72! C(o=-4.3!,f=-2.7!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.527 13.963 6.643 1.00 0.00 N ATOM 2 CA MET A 1 -12.524 15.036 6.369 1.00 0.00 C ATOM 3 C MET A 1 -13.856 14.681 7.034 1.00 0.00 C ATOM 4 O MET A 1 -14.807 15.433 6.976 1.00 0.00 O ATOM 5 CB MET A 1 -12.727 15.166 4.858 1.00 0.00 C ATOM 6 CG MET A 1 -11.684 16.127 4.283 1.00 0.00 C ATOM 7 SD MET A 1 -12.077 16.478 2.552 1.00 0.00 S ATOM 8 CE MET A 1 -11.287 15.013 1.844 1.00 0.00 C ATOM 0 H1 MET A 1 -10.623 14.206 6.191 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.387 13.873 7.670 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.874 13.060 6.260 1.00 0.00 H new ATOM 0 HA MET A 1 -12.160 15.981 6.771 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.638 14.189 4.383 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.731 15.533 4.646 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.670 17.052 4.859 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.689 15.689 4.360 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.362 15.049 0.757 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.237 14.989 2.135 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.786 14.117 2.213 1.00 0.00 H new ATOM 20 N SER A 2 -13.935 13.539 7.665 1.00 0.00 N ATOM 21 CA SER A 2 -15.209 13.147 8.328 1.00 0.00 C ATOM 22 C SER A 2 -14.956 11.979 9.287 1.00 0.00 C ATOM 23 O SER A 2 -13.857 11.783 9.768 1.00 0.00 O ATOM 24 CB SER A 2 -16.227 12.724 7.268 1.00 0.00 C ATOM 25 OG SER A 2 -17.539 12.959 7.759 1.00 0.00 O ATOM 0 H SER A 2 -13.174 12.864 7.749 1.00 0.00 H new ATOM 0 HA SER A 2 -15.598 13.996 8.889 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.065 13.284 6.347 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.100 11.669 7.026 1.00 0.00 H new ATOM 0 HG SER A 2 -18.195 12.691 7.082 1.00 0.00 H new ATOM 31 N TRP A 3 -15.970 11.207 9.568 1.00 0.00 N ATOM 32 CA TRP A 3 -15.804 10.053 10.498 1.00 0.00 C ATOM 33 C TRP A 3 -14.835 9.028 9.901 1.00 0.00 C ATOM 34 O TRP A 3 -13.639 9.105 10.099 1.00 0.00 O ATOM 35 CB TRP A 3 -17.163 9.391 10.726 1.00 0.00 C ATOM 36 CG TRP A 3 -18.088 10.319 11.456 1.00 0.00 C ATOM 37 CD1 TRP A 3 -19.405 10.082 11.651 1.00 0.00 C ATOM 38 CD2 TRP A 3 -17.808 11.612 12.089 1.00 0.00 C ATOM 39 NE1 TRP A 3 -19.953 11.133 12.360 1.00 0.00 N ATOM 40 CE2 TRP A 3 -19.014 12.099 12.654 1.00 0.00 C ATOM 41 CE3 TRP A 3 -16.649 12.404 12.231 1.00 0.00 C ATOM 42 CZ2 TRP A 3 -19.067 13.317 13.332 1.00 0.00 C ATOM 43 CZ3 TRP A 3 -16.703 13.630 12.914 1.00 0.00 C ATOM 44 CH2 TRP A 3 -17.910 14.084 13.463 1.00 0.00 C ATOM 0 H TRP A 3 -16.911 11.326 9.192 1.00 0.00 H new ATOM 0 HA TRP A 3 -15.401 10.413 11.445 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -17.602 9.111 9.768 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -17.034 8.473 11.299 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -19.942 9.210 11.307 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -20.934 11.188 12.633 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -15.713 12.065 11.811 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -19.999 13.664 13.753 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -15.809 14.227 13.017 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -17.944 15.028 13.987 1.00 0.00 H new ATOM 55 N ALA A 4 -15.342 8.057 9.189 1.00 0.00 N ATOM 56 CA ALA A 4 -14.448 7.017 8.601 1.00 0.00 C ATOM 57 C ALA A 4 -13.857 7.508 7.278 1.00 0.00 C ATOM 58 O ALA A 4 -13.306 6.739 6.516 1.00 0.00 O ATOM 59 CB ALA A 4 -15.253 5.740 8.354 1.00 0.00 C ATOM 0 H ALA A 4 -16.335 7.939 8.989 1.00 0.00 H new ATOM 0 HA ALA A 4 -13.634 6.815 9.297 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -14.603 4.978 7.924 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -15.661 5.379 9.298 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -16.069 5.952 7.663 1.00 0.00 H new ATOM 65 N LEU A 5 -13.955 8.779 6.995 1.00 0.00 N ATOM 66 CA LEU A 5 -13.384 9.293 5.719 1.00 0.00 C ATOM 67 C LEU A 5 -11.873 9.471 5.881 1.00 0.00 C ATOM 68 O LEU A 5 -11.093 9.008 5.072 1.00 0.00 O ATOM 69 CB LEU A 5 -14.022 10.638 5.368 1.00 0.00 C ATOM 70 CG LEU A 5 -14.198 10.734 3.851 1.00 0.00 C ATOM 71 CD1 LEU A 5 -15.681 10.623 3.497 1.00 0.00 C ATOM 72 CD2 LEU A 5 -13.657 12.079 3.359 1.00 0.00 C ATOM 0 H LEU A 5 -14.402 9.478 7.588 1.00 0.00 H new ATOM 0 HA LEU A 5 -13.588 8.582 4.918 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -14.987 10.736 5.865 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -13.395 11.455 5.725 1.00 0.00 H new ATOM 0 HG LEU A 5 -13.650 9.922 3.372 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -15.803 10.692 2.416 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -16.068 9.665 3.846 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -16.231 11.433 3.976 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -13.782 12.148 2.278 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -14.205 12.889 3.840 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -12.599 12.158 3.608 1.00 0.00 H new ATOM 84 N GLU A 6 -11.455 10.136 6.923 1.00 0.00 N ATOM 85 CA GLU A 6 -9.996 10.339 7.139 1.00 0.00 C ATOM 86 C GLU A 6 -9.290 8.983 7.119 1.00 0.00 C ATOM 87 O GLU A 6 -8.123 8.883 6.792 1.00 0.00 O ATOM 88 CB GLU A 6 -9.769 11.011 8.496 1.00 0.00 C ATOM 89 CG GLU A 6 -10.283 10.097 9.609 1.00 0.00 C ATOM 90 CD GLU A 6 -10.939 10.943 10.703 1.00 0.00 C ATOM 91 OE1 GLU A 6 -10.690 12.137 10.730 1.00 0.00 O ATOM 92 OE2 GLU A 6 -11.678 10.382 11.495 1.00 0.00 O ATOM 0 H GLU A 6 -12.061 10.547 7.633 1.00 0.00 H new ATOM 0 HA GLU A 6 -9.594 10.973 6.349 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -8.708 11.216 8.640 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -10.286 11.970 8.530 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -11.002 9.384 9.206 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -9.460 9.517 10.027 1.00 0.00 H new ATOM 99 N MET A 7 -9.988 7.936 7.463 1.00 0.00 N ATOM 100 CA MET A 7 -9.359 6.586 7.462 1.00 0.00 C ATOM 101 C MET A 7 -9.468 5.978 6.061 1.00 0.00 C ATOM 102 O MET A 7 -8.546 5.363 5.569 1.00 0.00 O ATOM 103 CB MET A 7 -10.077 5.685 8.468 1.00 0.00 C ATOM 104 CG MET A 7 -9.531 4.261 8.355 1.00 0.00 C ATOM 105 SD MET A 7 -10.745 3.214 7.513 1.00 0.00 S ATOM 106 CE MET A 7 -9.817 1.665 7.620 1.00 0.00 C ATOM 0 H MET A 7 -10.968 7.958 7.745 1.00 0.00 H new ATOM 0 HA MET A 7 -8.309 6.673 7.742 1.00 0.00 H new ATOM 0 HB2 MET A 7 -9.931 6.063 9.480 1.00 0.00 H new ATOM 0 HB3 MET A 7 -11.150 5.691 8.277 1.00 0.00 H new ATOM 0 HG2 MET A 7 -8.591 4.263 7.803 1.00 0.00 H new ATOM 0 HG3 MET A 7 -9.317 3.862 9.347 1.00 0.00 H new ATOM 0 HE1 MET A 7 -10.390 0.864 7.152 1.00 0.00 H new ATOM 0 HE2 MET A 7 -8.863 1.776 7.105 1.00 0.00 H new ATOM 0 HE3 MET A 7 -9.638 1.420 8.667 1.00 0.00 H new ATOM 116 N ALA A 8 -10.590 6.148 5.416 1.00 0.00 N ATOM 117 CA ALA A 8 -10.751 5.582 4.047 1.00 0.00 C ATOM 118 C ALA A 8 -9.635 6.107 3.143 1.00 0.00 C ATOM 119 O ALA A 8 -9.114 5.395 2.308 1.00 0.00 O ATOM 120 CB ALA A 8 -12.109 6.000 3.480 1.00 0.00 C ATOM 0 H ALA A 8 -11.400 6.653 5.777 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.697 4.494 4.094 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -12.228 5.587 2.478 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.904 5.624 4.124 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -12.164 7.088 3.432 1.00 0.00 H new ATOM 126 N ASP A 9 -9.262 7.350 3.297 1.00 0.00 N ATOM 127 CA ASP A 9 -8.180 7.916 2.442 1.00 0.00 C ATOM 128 C ASP A 9 -6.986 6.957 2.417 1.00 0.00 C ATOM 129 O ASP A 9 -6.440 6.659 1.373 1.00 0.00 O ATOM 130 CB ASP A 9 -7.739 9.268 3.009 1.00 0.00 C ATOM 131 CG ASP A 9 -8.318 10.393 2.151 1.00 0.00 C ATOM 132 OD1 ASP A 9 -7.682 10.753 1.173 1.00 0.00 O ATOM 133 OD2 ASP A 9 -9.387 10.878 2.485 1.00 0.00 O ATOM 0 H ASP A 9 -9.660 7.997 3.978 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.554 8.050 1.427 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -8.079 9.371 4.040 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -6.651 9.331 3.024 1.00 0.00 H new ATOM 138 N THR A 10 -6.573 6.475 3.559 1.00 0.00 N ATOM 139 CA THR A 10 -5.411 5.539 3.598 1.00 0.00 C ATOM 140 C THR A 10 -5.736 4.280 2.792 1.00 0.00 C ATOM 141 O THR A 10 -4.889 3.724 2.123 1.00 0.00 O ATOM 142 CB THR A 10 -5.112 5.154 5.049 1.00 0.00 C ATOM 143 OG1 THR A 10 -6.309 4.725 5.682 1.00 0.00 O ATOM 144 CG2 THR A 10 -4.545 6.365 5.792 1.00 0.00 C ATOM 0 H THR A 10 -6.989 6.688 4.465 1.00 0.00 H new ATOM 0 HA THR A 10 -4.539 6.029 3.165 1.00 0.00 H new ATOM 0 HB THR A 10 -4.383 4.344 5.067 1.00 0.00 H new ATOM 0 HG1 THR A 10 -7.076 4.944 5.113 1.00 0.00 H new ATOM 0 HG21 THR A 10 -4.332 6.091 6.825 1.00 0.00 H new ATOM 0 HG22 THR A 10 -3.626 6.692 5.306 1.00 0.00 H new ATOM 0 HG23 THR A 10 -5.273 7.176 5.774 1.00 0.00 H new ATOM 152 N PHE A 11 -6.957 3.822 2.852 1.00 0.00 N ATOM 153 CA PHE A 11 -7.332 2.599 2.089 1.00 0.00 C ATOM 154 C PHE A 11 -7.148 2.856 0.590 1.00 0.00 C ATOM 155 O PHE A 11 -6.427 2.150 -0.087 1.00 0.00 O ATOM 156 CB PHE A 11 -8.794 2.251 2.375 1.00 0.00 C ATOM 157 CG PHE A 11 -9.057 0.813 1.992 1.00 0.00 C ATOM 158 CD1 PHE A 11 -9.222 0.467 0.646 1.00 0.00 C ATOM 159 CD2 PHE A 11 -9.137 -0.173 2.984 1.00 0.00 C ATOM 160 CE1 PHE A 11 -9.466 -0.865 0.290 1.00 0.00 C ATOM 161 CE2 PHE A 11 -9.381 -1.504 2.628 1.00 0.00 C ATOM 162 CZ PHE A 11 -9.546 -1.851 1.281 1.00 0.00 C ATOM 0 H PHE A 11 -7.710 4.242 3.396 1.00 0.00 H new ATOM 0 HA PHE A 11 -6.695 1.768 2.394 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -9.014 2.403 3.432 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -9.453 2.914 1.814 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -9.161 1.228 -0.118 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -9.010 0.094 4.023 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -9.592 -1.132 -0.749 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -9.442 -2.264 3.392 1.00 0.00 H new ATOM 0 HZ PHE A 11 -9.735 -2.878 1.007 1.00 0.00 H new ATOM 172 N LEU A 12 -7.797 3.861 0.068 1.00 0.00 N ATOM 173 CA LEU A 12 -7.664 4.166 -1.386 1.00 0.00 C ATOM 174 C LEU A 12 -6.196 4.435 -1.726 1.00 0.00 C ATOM 175 O LEU A 12 -5.775 4.290 -2.857 1.00 0.00 O ATOM 176 CB LEU A 12 -8.496 5.407 -1.720 1.00 0.00 C ATOM 177 CG LEU A 12 -9.593 5.032 -2.717 1.00 0.00 C ATOM 178 CD1 LEU A 12 -10.805 4.487 -1.959 1.00 0.00 C ATOM 179 CD2 LEU A 12 -10.003 6.274 -3.510 1.00 0.00 C ATOM 0 H LEU A 12 -8.415 4.485 0.586 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.019 3.315 -1.968 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.939 5.816 -0.812 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.857 6.184 -2.141 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.220 4.270 -3.401 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.588 4.219 -2.669 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.512 3.604 -1.392 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.180 5.249 -1.276 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.785 6.010 -4.222 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.377 7.035 -2.826 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -9.139 6.663 -4.049 1.00 0.00 H new ATOM 191 N ASP A 13 -5.417 4.835 -0.760 1.00 0.00 N ATOM 192 CA ASP A 13 -3.979 5.123 -1.028 1.00 0.00 C ATOM 193 C ASP A 13 -3.303 3.891 -1.635 1.00 0.00 C ATOM 194 O ASP A 13 -2.810 3.927 -2.746 1.00 0.00 O ATOM 195 CB ASP A 13 -3.282 5.489 0.284 1.00 0.00 C ATOM 196 CG ASP A 13 -1.878 6.022 -0.015 1.00 0.00 C ATOM 197 OD1 ASP A 13 -1.010 5.216 -0.305 1.00 0.00 O ATOM 198 OD2 ASP A 13 -1.697 7.226 0.051 1.00 0.00 O ATOM 0 H ASP A 13 -5.714 4.975 0.206 1.00 0.00 H new ATOM 0 HA ASP A 13 -3.905 5.954 -1.730 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -3.862 6.241 0.819 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -3.220 4.614 0.932 1.00 0.00 H new ATOM 203 N ASN A 14 -3.266 2.803 -0.915 1.00 0.00 N ATOM 204 CA ASN A 14 -2.610 1.577 -1.453 1.00 0.00 C ATOM 205 C ASN A 14 -3.645 0.701 -2.163 1.00 0.00 C ATOM 206 O ASN A 14 -3.470 -0.493 -2.302 1.00 0.00 O ATOM 207 CB ASN A 14 -1.977 0.792 -0.303 1.00 0.00 C ATOM 208 CG ASN A 14 -0.507 1.192 -0.158 1.00 0.00 C ATOM 209 OD1 ASN A 14 -0.051 2.112 -0.808 1.00 0.00 O ATOM 210 ND2 ASN A 14 0.258 0.537 0.671 1.00 0.00 N ATOM 0 H ASN A 14 -3.661 2.710 0.021 1.00 0.00 H new ATOM 0 HA ASN A 14 -1.838 1.866 -2.166 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -2.512 0.992 0.625 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -2.056 -0.278 -0.493 1.00 0.00 H new ATOM 0 HD21 ASN A 14 1.239 0.797 0.774 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -0.125 -0.235 1.217 1.00 0.00 H new ATOM 217 N MET A 15 -4.722 1.282 -2.617 1.00 0.00 N ATOM 218 CA MET A 15 -5.761 0.476 -3.321 1.00 0.00 C ATOM 219 C MET A 15 -5.613 0.663 -4.830 1.00 0.00 C ATOM 220 O MET A 15 -6.573 0.591 -5.571 1.00 0.00 O ATOM 221 CB MET A 15 -7.154 0.941 -2.888 1.00 0.00 C ATOM 222 CG MET A 15 -8.204 -0.039 -3.415 1.00 0.00 C ATOM 223 SD MET A 15 -9.718 0.862 -3.825 1.00 0.00 S ATOM 224 CE MET A 15 -9.142 1.577 -5.383 1.00 0.00 C ATOM 0 H MET A 15 -4.928 2.277 -2.531 1.00 0.00 H new ATOM 0 HA MET A 15 -5.634 -0.576 -3.067 1.00 0.00 H new ATOM 0 HB2 MET A 15 -7.208 0.999 -1.801 1.00 0.00 H new ATOM 0 HB3 MET A 15 -7.351 1.942 -3.271 1.00 0.00 H new ATOM 0 HG2 MET A 15 -7.825 -0.555 -4.297 1.00 0.00 H new ATOM 0 HG3 MET A 15 -8.414 -0.802 -2.665 1.00 0.00 H new ATOM 0 HE1 MET A 15 -9.962 2.112 -5.863 1.00 0.00 H new ATOM 0 HE2 MET A 15 -8.324 2.269 -5.185 1.00 0.00 H new ATOM 0 HE3 MET A 15 -8.793 0.781 -6.041 1.00 0.00 H new ATOM 234 N ARG A 16 -4.418 0.902 -5.292 1.00 0.00 N ATOM 235 CA ARG A 16 -4.212 1.093 -6.753 1.00 0.00 C ATOM 236 C ARG A 16 -4.103 -0.270 -7.434 1.00 0.00 C ATOM 237 O ARG A 16 -4.160 -0.379 -8.643 1.00 0.00 O ATOM 238 CB ARG A 16 -2.932 1.896 -6.988 1.00 0.00 C ATOM 239 CG ARG A 16 -3.153 3.346 -6.552 1.00 0.00 C ATOM 240 CD ARG A 16 -1.967 3.810 -5.707 1.00 0.00 C ATOM 241 NE ARG A 16 -0.746 3.863 -6.557 1.00 0.00 N ATOM 242 CZ ARG A 16 -0.797 4.421 -7.736 1.00 0.00 C ATOM 243 NH1 ARG A 16 -1.551 5.467 -7.930 1.00 0.00 N ATOM 244 NH2 ARG A 16 -0.097 3.930 -8.721 1.00 0.00 N ATOM 0 H ARG A 16 -3.576 0.973 -4.721 1.00 0.00 H new ATOM 0 HA ARG A 16 -5.058 1.637 -7.173 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.107 1.458 -6.427 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -2.655 1.860 -8.042 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -3.263 3.987 -7.427 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -4.076 3.428 -5.978 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.171 4.793 -5.282 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -1.813 3.128 -4.871 1.00 0.00 H new ATOM 0 HE ARG A 16 0.129 3.464 -6.219 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.101 5.849 -7.161 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -1.591 5.903 -8.851 1.00 0.00 H new ATOM 0 HH21 ARG A 16 0.490 3.110 -8.570 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -0.137 4.366 -9.642 1.00 0.00 H new ATOM 258 N VAL A 17 -3.953 -1.312 -6.666 1.00 0.00 N ATOM 259 CA VAL A 17 -3.846 -2.671 -7.269 1.00 0.00 C ATOM 260 C VAL A 17 -5.232 -3.149 -7.699 1.00 0.00 C ATOM 261 O VAL A 17 -5.370 -4.075 -8.475 1.00 0.00 O ATOM 262 CB VAL A 17 -3.264 -3.647 -6.247 1.00 0.00 C ATOM 263 CG1 VAL A 17 -2.993 -4.993 -6.922 1.00 0.00 C ATOM 264 CG2 VAL A 17 -1.954 -3.082 -5.694 1.00 0.00 C ATOM 0 H VAL A 17 -3.900 -1.283 -5.648 1.00 0.00 H new ATOM 0 HA VAL A 17 -3.190 -2.627 -8.138 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.974 -3.786 -5.432 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.578 -5.689 -6.193 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.925 -5.396 -7.318 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.282 -4.855 -7.737 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.537 -3.777 -4.965 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.244 -2.943 -6.510 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.146 -2.123 -5.213 1.00 0.00 H new ATOM 274 N GLY A 18 -6.258 -2.522 -7.203 1.00 0.00 N ATOM 275 CA GLY A 18 -7.639 -2.935 -7.581 1.00 0.00 C ATOM 276 C GLY A 18 -8.335 -3.574 -6.372 1.00 0.00 C ATOM 277 O GLY A 18 -7.787 -4.463 -5.750 1.00 0.00 O ATOM 0 H GLY A 18 -6.202 -1.740 -6.551 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -8.207 -2.070 -7.925 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.604 -3.643 -8.409 1.00 0.00 H new ATOM 281 N PRO A 19 -9.522 -3.105 -6.073 1.00 0.00 N ATOM 282 CA PRO A 19 -10.315 -3.620 -4.943 1.00 0.00 C ATOM 283 C PRO A 19 -10.991 -4.940 -5.326 1.00 0.00 C ATOM 284 O PRO A 19 -10.970 -5.349 -6.470 1.00 0.00 O ATOM 285 CB PRO A 19 -11.355 -2.523 -4.706 1.00 0.00 C ATOM 286 CG PRO A 19 -11.472 -1.739 -6.035 1.00 0.00 C ATOM 287 CD PRO A 19 -10.184 -2.022 -6.829 1.00 0.00 C ATOM 0 HA PRO A 19 -9.716 -3.830 -4.057 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -12.316 -2.953 -4.423 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -11.048 -1.865 -3.893 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -12.351 -2.057 -6.596 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -11.584 -0.671 -5.846 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -10.406 -2.328 -7.851 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -9.552 -1.136 -6.891 1.00 0.00 H new ATOM 294 N ARG A 20 -11.594 -5.608 -4.380 1.00 0.00 N ATOM 295 CA ARG A 20 -12.273 -6.897 -4.694 1.00 0.00 C ATOM 296 C ARG A 20 -13.785 -6.733 -4.525 1.00 0.00 C ATOM 297 O ARG A 20 -14.526 -7.695 -4.505 1.00 0.00 O ATOM 298 CB ARG A 20 -11.766 -7.989 -3.748 1.00 0.00 C ATOM 299 CG ARG A 20 -11.316 -9.201 -4.566 1.00 0.00 C ATOM 300 CD ARG A 20 -10.807 -10.297 -3.627 1.00 0.00 C ATOM 301 NE ARG A 20 -11.788 -10.504 -2.524 1.00 0.00 N ATOM 302 CZ ARG A 20 -11.457 -11.213 -1.480 1.00 0.00 C ATOM 303 NH1 ARG A 20 -11.799 -12.471 -1.410 1.00 0.00 N ATOM 304 NH2 ARG A 20 -10.782 -10.665 -0.506 1.00 0.00 N ATOM 0 H ARG A 20 -11.646 -5.317 -3.404 1.00 0.00 H new ATOM 0 HA ARG A 20 -12.052 -7.181 -5.723 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -10.936 -7.611 -3.150 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -12.554 -8.278 -3.053 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -12.146 -9.577 -5.163 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -10.529 -8.910 -5.262 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -10.664 -11.226 -4.179 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -9.837 -10.017 -3.217 1.00 0.00 H new ATOM 0 HE ARG A 20 -12.719 -10.091 -2.585 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -12.325 -12.900 -2.172 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.540 -13.025 -0.594 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -10.513 -9.683 -0.561 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.523 -11.219 0.310 1.00 0.00 H new ATOM 318 N THR A 21 -14.246 -5.519 -4.402 1.00 0.00 N ATOM 319 CA THR A 21 -15.709 -5.288 -4.234 1.00 0.00 C ATOM 320 C THR A 21 -16.439 -5.669 -5.524 1.00 0.00 C ATOM 321 O THR A 21 -17.368 -6.454 -5.515 1.00 0.00 O ATOM 322 CB THR A 21 -15.958 -3.810 -3.926 1.00 0.00 C ATOM 323 OG1 THR A 21 -14.767 -3.226 -3.417 1.00 0.00 O ATOM 324 CG2 THR A 21 -17.075 -3.684 -2.887 1.00 0.00 C ATOM 0 H THR A 21 -13.672 -4.676 -4.411 1.00 0.00 H new ATOM 0 HA THR A 21 -16.081 -5.900 -3.412 1.00 0.00 H new ATOM 0 HB THR A 21 -16.254 -3.294 -4.839 1.00 0.00 H new ATOM 0 HG1 THR A 21 -14.925 -2.279 -3.221 1.00 0.00 H new ATOM 0 HG21 THR A 21 -17.251 -2.631 -2.668 1.00 0.00 H new ATOM 0 HG22 THR A 21 -17.989 -4.131 -3.279 1.00 0.00 H new ATOM 0 HG23 THR A 21 -16.782 -4.200 -1.973 1.00 0.00 H new ATOM 332 N TYR A 22 -16.028 -5.120 -6.633 1.00 0.00 N ATOM 333 CA TYR A 22 -16.694 -5.446 -7.924 1.00 0.00 C ATOM 334 C TYR A 22 -15.942 -4.736 -9.053 1.00 0.00 C ATOM 335 O TYR A 22 -14.885 -5.176 -9.449 1.00 0.00 O ATOM 336 CB TYR A 22 -18.159 -4.992 -7.893 1.00 0.00 C ATOM 337 CG TYR A 22 -18.314 -3.772 -7.008 1.00 0.00 C ATOM 338 CD1 TYR A 22 -17.286 -2.823 -6.916 1.00 0.00 C ATOM 339 CD2 TYR A 22 -19.498 -3.590 -6.284 1.00 0.00 C ATOM 340 CE1 TYR A 22 -17.443 -1.697 -6.100 1.00 0.00 C ATOM 341 CE2 TYR A 22 -19.655 -2.463 -5.468 1.00 0.00 C ATOM 342 CZ TYR A 22 -18.627 -1.517 -5.376 1.00 0.00 C ATOM 343 OH TYR A 22 -18.782 -0.406 -4.572 1.00 0.00 O ATOM 0 H TYR A 22 -15.256 -4.457 -6.700 1.00 0.00 H new ATOM 0 HA TYR A 22 -16.676 -6.523 -8.089 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -18.497 -4.762 -8.903 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -18.789 -5.800 -7.523 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -16.372 -2.961 -7.475 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -20.291 -4.320 -6.355 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -16.650 -0.967 -6.029 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -20.569 -2.324 -4.910 1.00 0.00 H new ATOM 0 HH TYR A 22 -19.662 -0.434 -4.141 1.00 0.00 H new ATOM 353 N ALA A 23 -16.475 -3.637 -9.550 1.00 0.00 N ATOM 354 CA ALA A 23 -15.801 -2.861 -10.641 1.00 0.00 C ATOM 355 C ALA A 23 -14.870 -3.750 -11.455 1.00 0.00 C ATOM 356 O ALA A 23 -15.247 -4.319 -12.459 1.00 0.00 O ATOM 357 CB ALA A 23 -14.996 -1.719 -10.018 1.00 0.00 C ATOM 0 H ALA A 23 -17.362 -3.242 -9.238 1.00 0.00 H new ATOM 0 HA ALA A 23 -16.566 -2.466 -11.309 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -14.503 -1.150 -10.806 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -15.666 -1.063 -9.461 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -14.245 -2.129 -9.342 1.00 0.00 H new ATOM 363 N ASP A 24 -13.659 -3.869 -11.017 1.00 0.00 N ATOM 364 CA ASP A 24 -12.676 -4.723 -11.742 1.00 0.00 C ATOM 365 C ASP A 24 -13.222 -6.150 -11.830 1.00 0.00 C ATOM 366 O ASP A 24 -13.485 -6.659 -12.901 1.00 0.00 O ATOM 367 CB ASP A 24 -11.347 -4.729 -10.985 1.00 0.00 C ATOM 368 CG ASP A 24 -10.814 -3.298 -10.879 1.00 0.00 C ATOM 369 OD1 ASP A 24 -11.624 -2.390 -10.786 1.00 0.00 O ATOM 370 OD2 ASP A 24 -9.605 -3.136 -10.892 1.00 0.00 O ATOM 0 H ASP A 24 -13.298 -3.410 -10.181 1.00 0.00 H new ATOM 0 HA ASP A 24 -12.516 -4.328 -12.745 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -11.485 -5.152 -9.990 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.624 -5.360 -11.502 1.00 0.00 H new ATOM 375 N VAL A 25 -13.402 -6.795 -10.710 1.00 0.00 N ATOM 376 CA VAL A 25 -13.937 -8.186 -10.732 1.00 0.00 C ATOM 377 C VAL A 25 -15.249 -8.207 -11.518 1.00 0.00 C ATOM 378 O VAL A 25 -15.613 -9.206 -12.109 1.00 0.00 O ATOM 379 CB VAL A 25 -14.194 -8.657 -9.299 1.00 0.00 C ATOM 380 CG1 VAL A 25 -14.419 -10.170 -9.290 1.00 0.00 C ATOM 381 CG2 VAL A 25 -12.984 -8.318 -8.426 1.00 0.00 C ATOM 0 H VAL A 25 -13.202 -6.420 -9.783 1.00 0.00 H new ATOM 0 HA VAL A 25 -13.214 -8.849 -11.206 1.00 0.00 H new ATOM 0 HB VAL A 25 -15.079 -8.156 -8.906 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -14.602 -10.505 -8.269 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -15.281 -10.413 -9.912 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -13.535 -10.672 -9.683 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -13.167 -8.653 -7.405 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -12.100 -8.819 -8.820 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -12.823 -7.240 -8.430 1.00 0.00 H new ATOM 391 N ARG A 26 -15.961 -7.114 -11.532 1.00 0.00 N ATOM 392 CA ARG A 26 -17.249 -7.074 -12.281 1.00 0.00 C ATOM 393 C ARG A 26 -16.976 -7.257 -13.775 1.00 0.00 C ATOM 394 O ARG A 26 -17.637 -8.025 -14.447 1.00 0.00 O ATOM 395 CB ARG A 26 -17.934 -5.725 -12.054 1.00 0.00 C ATOM 396 CG ARG A 26 -19.452 -5.916 -12.062 1.00 0.00 C ATOM 397 CD ARG A 26 -20.066 -5.102 -13.202 1.00 0.00 C ATOM 398 NE ARG A 26 -19.863 -5.817 -14.494 1.00 0.00 N ATOM 399 CZ ARG A 26 -20.285 -5.282 -15.606 1.00 0.00 C ATOM 400 NH1 ARG A 26 -20.119 -4.006 -15.820 1.00 0.00 N ATOM 401 NH2 ARG A 26 -20.876 -6.022 -16.503 1.00 0.00 N ATOM 0 H ARG A 26 -15.707 -6.247 -11.058 1.00 0.00 H new ATOM 0 HA ARG A 26 -17.897 -7.875 -11.926 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -17.615 -5.299 -11.103 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -17.641 -5.021 -12.833 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -19.695 -6.972 -12.184 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -19.873 -5.600 -11.108 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -21.130 -4.951 -13.022 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -19.607 -4.114 -13.245 1.00 0.00 H new ATOM 0 HE ARG A 26 -19.395 -6.723 -14.508 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -19.659 -3.427 -15.118 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -20.449 -3.588 -16.690 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -21.008 -7.019 -16.335 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -21.206 -5.603 -17.373 1.00 0.00 H new ATOM 415 N ASP A 27 -16.009 -6.558 -14.302 1.00 0.00 N ATOM 416 CA ASP A 27 -15.693 -6.690 -15.750 1.00 0.00 C ATOM 417 C ASP A 27 -15.063 -8.057 -16.007 1.00 0.00 C ATOM 418 O ASP A 27 -15.106 -8.575 -17.105 1.00 0.00 O ATOM 419 CB ASP A 27 -14.717 -5.587 -16.164 1.00 0.00 C ATOM 420 CG ASP A 27 -15.340 -4.220 -15.877 1.00 0.00 C ATOM 421 OD1 ASP A 27 -16.547 -4.165 -15.708 1.00 0.00 O ATOM 422 OD2 ASP A 27 -14.600 -3.250 -15.834 1.00 0.00 O ATOM 0 H ASP A 27 -15.423 -5.899 -13.789 1.00 0.00 H new ATOM 0 HA ASP A 27 -16.609 -6.597 -16.334 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -13.779 -5.693 -15.618 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -14.480 -5.675 -17.224 1.00 0.00 H new ATOM 427 N GLU A 28 -14.482 -8.652 -15.002 1.00 0.00 N ATOM 428 CA GLU A 28 -13.861 -9.988 -15.197 1.00 0.00 C ATOM 429 C GLU A 28 -14.956 -10.999 -15.512 1.00 0.00 C ATOM 430 O GLU A 28 -14.754 -11.932 -16.268 1.00 0.00 O ATOM 431 CB GLU A 28 -13.118 -10.406 -13.927 1.00 0.00 C ATOM 432 CG GLU A 28 -11.832 -11.144 -14.306 1.00 0.00 C ATOM 433 CD GLU A 28 -11.284 -11.876 -13.080 1.00 0.00 C ATOM 434 OE1 GLU A 28 -11.896 -11.772 -12.030 1.00 0.00 O ATOM 435 OE2 GLU A 28 -10.261 -12.527 -13.212 1.00 0.00 O ATOM 0 H GLU A 28 -14.411 -8.271 -14.058 1.00 0.00 H new ATOM 0 HA GLU A 28 -13.150 -9.946 -16.022 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -12.882 -9.528 -13.326 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -13.752 -11.049 -13.317 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -12.031 -11.855 -15.108 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -11.092 -10.438 -14.682 1.00 0.00 H new ATOM 442 N ILE A 29 -16.127 -10.820 -14.958 1.00 0.00 N ATOM 443 CA ILE A 29 -17.234 -11.777 -15.254 1.00 0.00 C ATOM 444 C ILE A 29 -17.836 -11.488 -16.636 1.00 0.00 C ATOM 445 O ILE A 29 -18.937 -11.900 -16.944 1.00 0.00 O ATOM 446 CB ILE A 29 -18.321 -11.663 -14.184 1.00 0.00 C ATOM 447 CG1 ILE A 29 -17.671 -11.635 -12.798 1.00 0.00 C ATOM 448 CG2 ILE A 29 -19.260 -12.867 -14.282 1.00 0.00 C ATOM 449 CD1 ILE A 29 -18.661 -11.057 -11.783 1.00 0.00 C ATOM 0 H ILE A 29 -16.363 -10.060 -14.320 1.00 0.00 H new ATOM 0 HA ILE A 29 -16.829 -12.789 -15.251 1.00 0.00 H new ATOM 0 HB ILE A 29 -18.889 -10.745 -14.338 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -17.376 -12.642 -12.502 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -16.764 -11.031 -12.822 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -20.035 -12.787 -13.520 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -19.722 -12.889 -15.269 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -18.692 -13.785 -14.127 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -18.200 -11.036 -10.796 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -18.934 -10.044 -12.077 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -19.556 -11.679 -11.752 1.00 0.00 H new ATOM 461 N ASN A 30 -17.109 -10.808 -17.473 1.00 0.00 N ATOM 462 CA ASN A 30 -17.601 -10.506 -18.840 1.00 0.00 C ATOM 463 C ASN A 30 -16.792 -11.340 -19.836 1.00 0.00 C ATOM 464 O ASN A 30 -17.313 -12.219 -20.492 1.00 0.00 O ATOM 465 CB ASN A 30 -17.411 -9.016 -19.135 1.00 0.00 C ATOM 466 CG ASN A 30 -18.342 -8.197 -18.239 1.00 0.00 C ATOM 467 OD1 ASN A 30 -18.147 -8.192 -16.949 1.00 0.00 O flip ATOM 468 ND2 ASN A 30 -19.254 -7.553 -18.718 1.00 0.00 N flip ATOM 0 H ASN A 30 -16.180 -10.443 -17.263 1.00 0.00 H new ATOM 0 HA ASN A 30 -18.660 -10.748 -18.924 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -16.374 -8.729 -18.960 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -17.625 -8.812 -20.184 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -19.406 -7.557 -19.727 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -19.867 -7.008 -18.112 1.00 0.00 H new ATOM 475 N LYS A 31 -15.516 -11.078 -19.945 1.00 0.00 N ATOM 476 CA LYS A 31 -14.672 -11.865 -20.886 1.00 0.00 C ATOM 477 C LYS A 31 -14.291 -13.202 -20.236 1.00 0.00 C ATOM 478 O LYS A 31 -13.888 -14.132 -20.904 1.00 0.00 O ATOM 479 CB LYS A 31 -13.402 -11.076 -21.214 1.00 0.00 C ATOM 480 CG LYS A 31 -12.834 -11.552 -22.552 1.00 0.00 C ATOM 481 CD LYS A 31 -11.348 -11.193 -22.636 1.00 0.00 C ATOM 482 CE LYS A 31 -11.075 -10.447 -23.943 1.00 0.00 C ATOM 483 NZ LYS A 31 -9.819 -9.655 -23.811 1.00 0.00 N ATOM 0 H LYS A 31 -15.024 -10.353 -19.423 1.00 0.00 H new ATOM 0 HA LYS A 31 -15.229 -12.053 -21.803 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -13.626 -10.010 -21.261 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -12.663 -11.212 -20.424 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -12.964 -12.630 -22.651 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -13.378 -11.088 -23.375 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -11.064 -10.573 -21.785 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -10.741 -12.097 -22.588 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -10.986 -11.155 -24.767 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -11.910 -9.787 -24.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -9.633 -9.148 -24.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.921 -8.969 -23.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.025 -10.295 -23.605 1.00 0.00 H new ATOM 497 N ARG A 32 -14.416 -13.307 -18.935 1.00 0.00 N ATOM 498 CA ARG A 32 -14.061 -14.584 -18.255 1.00 0.00 C ATOM 499 C ARG A 32 -12.734 -15.109 -18.809 1.00 0.00 C ATOM 500 O ARG A 32 -12.542 -16.299 -18.963 1.00 0.00 O ATOM 501 CB ARG A 32 -15.162 -15.620 -18.499 1.00 0.00 C ATOM 502 CG ARG A 32 -14.980 -16.792 -17.534 1.00 0.00 C ATOM 503 CD ARG A 32 -15.987 -16.675 -16.389 1.00 0.00 C ATOM 504 NE ARG A 32 -16.365 -18.038 -15.918 1.00 0.00 N ATOM 505 CZ ARG A 32 -16.265 -18.342 -14.654 1.00 0.00 C ATOM 506 NH1 ARG A 32 -17.342 -18.478 -13.929 1.00 0.00 N ATOM 507 NH2 ARG A 32 -15.088 -18.509 -14.113 1.00 0.00 N ATOM 0 H ARG A 32 -14.748 -12.564 -18.320 1.00 0.00 H new ATOM 0 HA ARG A 32 -13.962 -14.406 -17.184 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -16.142 -15.166 -18.356 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -15.122 -15.973 -19.529 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -15.121 -17.736 -18.061 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -13.964 -16.797 -17.139 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -15.556 -16.102 -15.568 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -16.873 -16.136 -16.724 1.00 0.00 H new ATOM 0 HE ARG A 32 -16.702 -18.733 -16.585 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -18.261 -18.346 -14.351 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -17.264 -18.716 -12.940 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -14.247 -18.402 -14.679 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -15.010 -18.747 -13.124 1.00 0.00 H new ATOM 521 N GLY A 33 -11.817 -14.231 -19.107 1.00 0.00 N ATOM 522 CA GLY A 33 -10.502 -14.680 -19.648 1.00 0.00 C ATOM 523 C GLY A 33 -10.717 -15.424 -20.968 1.00 0.00 C ATOM 524 O GLY A 33 -11.354 -16.457 -21.013 1.00 0.00 O ATOM 0 H GLY A 33 -11.921 -13.222 -19.000 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -9.850 -13.821 -19.805 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -10.005 -15.331 -18.929 1.00 0.00 H new ATOM 528 N ARG A 34 -10.186 -14.908 -22.043 1.00 0.00 N ATOM 529 CA ARG A 34 -10.359 -15.586 -23.359 1.00 0.00 C ATOM 530 C ARG A 34 -9.176 -15.245 -24.270 1.00 0.00 C ATOM 531 O ARG A 34 -9.315 -14.336 -25.071 1.00 0.00 O ATOM 532 CB ARG A 34 -11.657 -15.111 -24.014 1.00 0.00 C ATOM 533 CG ARG A 34 -12.641 -16.278 -24.099 1.00 0.00 C ATOM 534 CD ARG A 34 -14.058 -15.739 -24.307 1.00 0.00 C ATOM 535 NE ARG A 34 -15.031 -16.865 -24.238 1.00 0.00 N ATOM 536 CZ ARG A 34 -16.309 -16.619 -24.141 1.00 0.00 C ATOM 537 NH1 ARG A 34 -16.973 -17.025 -23.095 1.00 0.00 N ATOM 538 NH2 ARG A 34 -16.921 -15.967 -25.091 1.00 0.00 N ATOM 539 OXT ARG A 34 -8.154 -15.899 -24.149 1.00 0.00 O ATOM 0 H ARG A 34 -9.640 -14.047 -22.067 1.00 0.00 H new ATOM 0 HA ARG A 34 -10.402 -16.664 -23.206 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -12.092 -14.296 -23.435 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -11.452 -14.720 -25.011 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -12.368 -16.938 -24.922 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -12.597 -16.872 -23.186 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -14.291 -14.995 -23.545 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -14.131 -15.240 -25.273 1.00 0.00 H new ATOM 0 HE ARG A 34 -14.698 -17.829 -24.267 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -16.494 -17.535 -22.353 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -17.972 -16.833 -23.019 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -16.401 -15.650 -25.909 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -17.920 -15.774 -25.016 1.00 0.00 H new TER 553 ARG A 34