USER MOD reduce.3.24.130724 H: found=0, std=0, add=270, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 270 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 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= 0.709 K(o=0.71,f=-5.3!) USER MOD Single : A 9 THR OG1 : rot -78:sc= 1.21 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -14.218 9.715 -11.022 1.00 0.00 N ATOM 2 CA LYS A 1 -15.198 8.668 -11.440 1.00 0.00 C ATOM 3 C LYS A 1 -14.543 7.579 -12.304 1.00 0.00 C ATOM 4 O LYS A 1 -14.427 6.443 -11.844 1.00 0.00 O ATOM 5 CB LYS A 1 -16.479 9.285 -12.066 1.00 0.00 C ATOM 6 CG LYS A 1 -17.777 8.720 -11.452 1.00 0.00 C ATOM 7 CD LYS A 1 -18.619 7.887 -12.430 1.00 0.00 C ATOM 8 CE LYS A 1 -19.854 7.352 -11.684 1.00 0.00 C ATOM 9 NZ LYS A 1 -20.232 5.982 -12.123 1.00 0.00 N ATOM 0 H1 LYS A 1 -14.701 10.430 -10.441 1.00 0.00 H new ATOM 0 H2 LYS A 1 -13.456 9.275 -10.468 1.00 0.00 H new ATOM 0 H3 LYS A 1 -13.814 10.169 -11.866 1.00 0.00 H new ATOM 0 HA LYS A 1 -15.537 8.156 -10.539 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -16.459 10.366 -11.931 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -16.479 9.098 -13.140 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -17.521 8.102 -10.591 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -18.382 9.548 -11.081 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -18.925 8.497 -13.280 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -18.030 7.060 -12.827 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -19.653 7.345 -10.613 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -20.694 8.027 -11.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -21.069 5.666 -11.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -20.450 5.991 -13.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -19.442 5.330 -11.944 1.00 0.00 H new ATOM 25 N LYS A 2 -14.070 7.900 -13.519 1.00 0.00 N ATOM 26 CA LYS A 2 -13.346 7.000 -14.444 1.00 0.00 C ATOM 27 C LYS A 2 -11.901 6.704 -13.992 1.00 0.00 C ATOM 28 O LYS A 2 -11.086 7.625 -13.901 1.00 0.00 O ATOM 29 CB LYS A 2 -13.364 7.650 -15.850 1.00 0.00 C ATOM 30 CG LYS A 2 -12.738 6.802 -16.975 1.00 0.00 C ATOM 31 CD LYS A 2 -13.573 5.570 -17.380 1.00 0.00 C ATOM 32 CE LYS A 2 -14.227 5.698 -18.767 1.00 0.00 C ATOM 33 NZ LYS A 2 -15.300 6.729 -18.809 1.00 0.00 N ATOM 0 H LYS A 2 -14.185 8.837 -13.905 1.00 0.00 H new ATOM 0 HA LYS A 2 -13.850 6.034 -14.456 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -14.397 7.872 -16.117 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -12.837 8.602 -15.799 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -12.593 7.433 -17.852 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -11.751 6.468 -16.656 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -12.933 4.688 -17.370 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -14.351 5.408 -16.634 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -13.462 5.947 -19.502 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -14.645 4.734 -19.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -15.704 6.771 -19.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -16.047 6.481 -18.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -14.900 7.656 -18.561 1.00 0.00 H new ATOM 47 N LYS A 3 -11.587 5.433 -13.705 1.00 0.00 N ATOM 48 CA LYS A 3 -10.248 4.904 -13.351 1.00 0.00 C ATOM 49 C LYS A 3 -10.012 3.570 -14.071 1.00 0.00 C ATOM 50 O LYS A 3 -10.933 2.760 -14.195 1.00 0.00 O ATOM 51 CB LYS A 3 -10.061 4.711 -11.830 1.00 0.00 C ATOM 52 CG LYS A 3 -9.901 6.018 -11.029 1.00 0.00 C ATOM 53 CD LYS A 3 -11.211 6.517 -10.404 1.00 0.00 C ATOM 54 CE LYS A 3 -11.585 5.698 -9.159 1.00 0.00 C ATOM 55 NZ LYS A 3 -12.969 5.986 -8.700 1.00 0.00 N ATOM 0 H LYS A 3 -12.296 4.699 -13.712 1.00 0.00 H new ATOM 0 HA LYS A 3 -9.517 5.646 -13.673 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -10.919 4.164 -11.439 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -9.182 4.088 -11.662 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -9.167 5.863 -10.239 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -9.503 6.791 -11.686 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -11.110 7.568 -10.133 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -12.014 6.453 -11.138 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -11.490 4.635 -9.382 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -10.883 5.919 -8.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -13.182 5.413 -7.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -13.053 6.995 -8.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -13.642 5.751 -9.457 1.00 0.00 H new ATOM 69 N ASN A 4 -8.787 3.334 -14.541 1.00 0.00 N ATOM 70 CA ASN A 4 -8.386 2.076 -15.183 1.00 0.00 C ATOM 71 C ASN A 4 -8.160 0.963 -14.136 1.00 0.00 C ATOM 72 O ASN A 4 -7.703 1.233 -13.022 1.00 0.00 O ATOM 73 CB ASN A 4 -7.112 2.357 -16.005 1.00 0.00 C ATOM 74 CG ASN A 4 -6.806 1.268 -17.018 1.00 0.00 C ATOM 75 OD1 ASN A 4 -6.444 0.155 -16.672 1.00 0.00 O ATOM 76 ND2 ASN A 4 -6.945 1.541 -18.295 1.00 0.00 N ATOM 0 H ASN A 4 -8.033 4.019 -14.487 1.00 0.00 H new ATOM 0 HA ASN A 4 -9.177 1.716 -15.841 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -7.225 3.308 -16.525 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -6.265 2.463 -15.327 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -6.751 0.824 -18.994 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -7.247 2.470 -18.588 1.00 0.00 H new ATOM 83 N TRP A 5 -8.428 -0.298 -14.490 1.00 0.00 N ATOM 84 CA TRP A 5 -8.172 -1.459 -13.623 1.00 0.00 C ATOM 85 C TRP A 5 -6.680 -1.628 -13.282 1.00 0.00 C ATOM 86 O TRP A 5 -6.344 -2.134 -12.211 1.00 0.00 O ATOM 87 CB TRP A 5 -8.716 -2.731 -14.289 1.00 0.00 C ATOM 88 CG TRP A 5 -7.986 -3.182 -15.522 1.00 0.00 C ATOM 89 CD1 TRP A 5 -8.239 -2.768 -16.786 1.00 0.00 C ATOM 90 CD2 TRP A 5 -6.869 -4.121 -15.623 1.00 0.00 C ATOM 91 NE1 TRP A 5 -7.346 -3.367 -17.655 1.00 0.00 N ATOM 92 CE2 TRP A 5 -6.480 -4.211 -16.993 1.00 0.00 C ATOM 93 CE3 TRP A 5 -6.143 -4.905 -14.698 1.00 0.00 C ATOM 94 CZ2 TRP A 5 -5.426 -5.032 -17.425 1.00 0.00 C ATOM 95 CZ3 TRP A 5 -5.088 -5.740 -15.121 1.00 0.00 C ATOM 96 CH2 TRP A 5 -4.729 -5.804 -16.479 1.00 0.00 C ATOM 0 H TRP A 5 -8.832 -0.547 -15.393 1.00 0.00 H new ATOM 0 HA TRP A 5 -8.690 -1.284 -12.680 1.00 0.00 H new ATOM 0 HB2 TRP A 5 -8.693 -3.540 -13.559 1.00 0.00 H new ATOM 0 HB3 TRP A 5 -9.762 -2.565 -14.548 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -9.018 -2.077 -17.071 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -7.330 -3.204 -18.662 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -6.400 -4.864 -13.650 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -5.154 -5.070 -18.470 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -4.552 -6.335 -14.396 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -3.919 -6.445 -16.795 1.00 0.00 H new ATOM 107 N PHE A 6 -5.773 -1.175 -14.155 1.00 0.00 N ATOM 108 CA PHE A 6 -4.326 -1.250 -13.949 1.00 0.00 C ATOM 109 C PHE A 6 -3.823 -0.284 -12.858 1.00 0.00 C ATOM 110 O PHE A 6 -2.874 -0.605 -12.144 1.00 0.00 O ATOM 111 CB PHE A 6 -3.616 -1.020 -15.293 1.00 0.00 C ATOM 112 CG PHE A 6 -2.240 -1.652 -15.372 1.00 0.00 C ATOM 113 CD1 PHE A 6 -2.129 -3.050 -15.497 1.00 0.00 C ATOM 114 CD2 PHE A 6 -1.076 -0.860 -15.335 1.00 0.00 C ATOM 115 CE1 PHE A 6 -0.863 -3.657 -15.583 1.00 0.00 C ATOM 116 CE2 PHE A 6 0.190 -1.466 -15.426 1.00 0.00 C ATOM 117 CZ PHE A 6 0.297 -2.864 -15.549 1.00 0.00 C ATOM 0 H PHE A 6 -6.031 -0.738 -15.040 1.00 0.00 H new ATOM 0 HA PHE A 6 -4.084 -2.246 -13.579 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -4.236 -1.420 -16.095 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -3.524 0.052 -15.466 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -3.020 -3.659 -15.527 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -1.156 0.213 -15.237 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -0.782 -4.730 -15.675 1.00 0.00 H new ATOM 0 HE2 PHE A 6 1.082 -0.857 -15.401 1.00 0.00 H new ATOM 0 HZ PHE A 6 1.270 -3.327 -15.617 1.00 0.00 H new ATOM 127 N ASP A 7 -4.480 0.869 -12.659 1.00 0.00 N ATOM 128 CA ASP A 7 -4.138 1.825 -11.588 1.00 0.00 C ATOM 129 C ASP A 7 -4.402 1.253 -10.180 1.00 0.00 C ATOM 130 O ASP A 7 -3.772 1.675 -9.209 1.00 0.00 O ATOM 131 CB ASP A 7 -4.907 3.146 -11.767 1.00 0.00 C ATOM 132 CG ASP A 7 -4.344 4.009 -12.907 1.00 0.00 C ATOM 133 OD1 ASP A 7 -3.164 4.430 -12.824 1.00 0.00 O ATOM 134 OD2 ASP A 7 -5.088 4.301 -13.871 1.00 0.00 O ATOM 0 H ASP A 7 -5.266 1.168 -13.236 1.00 0.00 H new ATOM 0 HA ASP A 7 -3.068 2.015 -11.672 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -5.956 2.927 -11.966 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -4.871 3.712 -10.836 1.00 0.00 H new ATOM 139 N ILE A 8 -5.274 0.246 -10.052 1.00 0.00 N ATOM 140 CA ILE A 8 -5.540 -0.458 -8.785 1.00 0.00 C ATOM 141 C ILE A 8 -4.282 -1.184 -8.261 1.00 0.00 C ATOM 142 O ILE A 8 -4.096 -1.313 -7.049 1.00 0.00 O ATOM 143 CB ILE A 8 -6.738 -1.429 -8.947 1.00 0.00 C ATOM 144 CG1 ILE A 8 -7.992 -0.765 -9.572 1.00 0.00 C ATOM 145 CG2 ILE A 8 -7.118 -2.097 -7.615 1.00 0.00 C ATOM 146 CD1 ILE A 8 -8.580 0.420 -8.791 1.00 0.00 C ATOM 0 H ILE A 8 -5.824 -0.110 -10.834 1.00 0.00 H new ATOM 0 HA ILE A 8 -5.807 0.285 -8.034 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.390 -2.191 -9.644 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -7.737 -0.424 -10.575 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -8.766 -1.525 -9.680 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.961 -2.769 -7.773 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.268 -2.664 -7.237 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -7.395 -1.332 -6.890 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -9.452 0.806 -9.318 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -8.875 0.089 -7.795 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -7.830 1.207 -8.704 1.00 0.00 H new ATOM 158 N THR A 9 -3.368 -1.599 -9.147 1.00 0.00 N ATOM 159 CA THR A 9 -2.097 -2.240 -8.755 1.00 0.00 C ATOM 160 C THR A 9 -1.184 -1.305 -7.947 1.00 0.00 C ATOM 161 O THR A 9 -0.512 -1.756 -7.017 1.00 0.00 O ATOM 162 CB THR A 9 -1.326 -2.825 -9.955 1.00 0.00 C ATOM 163 OG1 THR A 9 -0.798 -1.822 -10.796 1.00 0.00 O ATOM 164 CG2 THR A 9 -2.186 -3.762 -10.811 1.00 0.00 C ATOM 0 H THR A 9 -3.484 -1.502 -10.156 1.00 0.00 H new ATOM 0 HA THR A 9 -2.388 -3.068 -8.108 1.00 0.00 H new ATOM 0 HB THR A 9 -0.510 -3.394 -9.509 1.00 0.00 H new ATOM 0 HG1 THR A 9 -1.512 -1.461 -11.362 1.00 0.00 H new ATOM 0 HG21 THR A 9 -1.592 -4.144 -11.641 1.00 0.00 H new ATOM 0 HG22 THR A 9 -2.535 -4.595 -10.201 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.044 -3.214 -11.201 1.00 0.00 H new ATOM 172 N ASN A 10 -1.205 0.004 -8.233 1.00 0.00 N ATOM 173 CA ASN A 10 -0.475 1.031 -7.486 1.00 0.00 C ATOM 174 C ASN A 10 -1.055 1.214 -6.068 1.00 0.00 C ATOM 175 O ASN A 10 -0.304 1.309 -5.095 1.00 0.00 O ATOM 176 CB ASN A 10 -0.513 2.328 -8.317 1.00 0.00 C ATOM 177 CG ASN A 10 0.054 3.520 -7.571 1.00 0.00 C ATOM 178 OD1 ASN A 10 1.257 3.703 -7.451 1.00 0.00 O ATOM 179 ND2 ASN A 10 -0.804 4.368 -7.053 1.00 0.00 N ATOM 0 H ASN A 10 -1.744 0.385 -9.010 1.00 0.00 H new ATOM 0 HA ASN A 10 0.562 0.732 -7.336 1.00 0.00 H new ATOM 0 HB2 ASN A 10 0.050 2.180 -9.239 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -1.543 2.541 -8.603 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -0.469 5.187 -6.546 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -1.806 4.208 -7.158 1.00 0.00 H new ATOM 186 N TRP A 11 -2.388 1.214 -5.939 1.00 0.00 N ATOM 187 CA TRP A 11 -3.092 1.271 -4.649 1.00 0.00 C ATOM 188 C TRP A 11 -2.788 0.071 -3.744 1.00 0.00 C ATOM 189 O TRP A 11 -2.580 0.251 -2.545 1.00 0.00 O ATOM 190 CB TRP A 11 -4.603 1.400 -4.876 1.00 0.00 C ATOM 191 CG TRP A 11 -5.063 2.793 -5.163 1.00 0.00 C ATOM 192 CD1 TRP A 11 -5.087 3.390 -6.377 1.00 0.00 C ATOM 193 CD2 TRP A 11 -5.554 3.785 -4.212 1.00 0.00 C ATOM 194 NE1 TRP A 11 -5.552 4.686 -6.241 1.00 0.00 N ATOM 195 CE2 TRP A 11 -5.864 4.979 -4.928 1.00 0.00 C ATOM 196 CE3 TRP A 11 -5.767 3.795 -2.815 1.00 0.00 C ATOM 197 CZ2 TRP A 11 -6.368 6.124 -4.293 1.00 0.00 C ATOM 198 CZ3 TRP A 11 -6.273 4.939 -2.167 1.00 0.00 C ATOM 199 CH2 TRP A 11 -6.576 6.100 -2.902 1.00 0.00 C ATOM 0 H TRP A 11 -3.018 1.174 -6.740 1.00 0.00 H new ATOM 0 HA TRP A 11 -2.722 2.154 -4.128 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -4.890 0.756 -5.707 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -5.125 1.032 -3.992 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -4.790 2.927 -7.307 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -5.652 5.343 -7.014 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -5.539 2.913 -2.236 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -6.593 7.012 -4.865 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -6.429 4.925 -1.098 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -6.968 6.972 -2.399 1.00 0.00 H new ATOM 210 N LEU A 12 -2.712 -1.144 -4.303 1.00 0.00 N ATOM 211 CA LEU A 12 -2.334 -2.350 -3.555 1.00 0.00 C ATOM 212 C LEU A 12 -0.960 -2.189 -2.879 1.00 0.00 C ATOM 213 O LEU A 12 -0.808 -2.460 -1.686 1.00 0.00 O ATOM 214 CB LEU A 12 -2.382 -3.582 -4.488 1.00 0.00 C ATOM 215 CG LEU A 12 -3.241 -4.729 -3.925 1.00 0.00 C ATOM 216 CD1 LEU A 12 -3.356 -5.848 -4.960 1.00 0.00 C ATOM 217 CD2 LEU A 12 -2.659 -5.328 -2.641 1.00 0.00 C ATOM 0 H LEU A 12 -2.911 -1.318 -5.288 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.054 -2.504 -2.751 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.778 -3.281 -5.458 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.368 -3.944 -4.656 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.217 -4.301 -3.694 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.965 -6.657 -4.556 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.823 -5.460 -5.865 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.362 -6.227 -5.198 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.305 -6.132 -2.289 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.664 -5.725 -2.843 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.593 -4.554 -1.876 1.00 0.00 H new ATOM 229 N TRP A 13 0.029 -1.683 -3.624 1.00 0.00 N ATOM 230 CA TRP A 13 1.389 -1.432 -3.132 1.00 0.00 C ATOM 231 C TRP A 13 1.443 -0.426 -1.968 1.00 0.00 C ATOM 232 O TRP A 13 2.235 -0.598 -1.044 1.00 0.00 O ATOM 233 CB TRP A 13 2.289 -0.995 -4.300 1.00 0.00 C ATOM 234 CG TRP A 13 3.645 -1.635 -4.314 1.00 0.00 C ATOM 235 CD1 TRP A 13 3.868 -2.952 -4.529 1.00 0.00 C ATOM 236 CD2 TRP A 13 4.963 -1.029 -4.128 1.00 0.00 C ATOM 237 NE1 TRP A 13 5.226 -3.207 -4.476 1.00 0.00 N ATOM 238 CE2 TRP A 13 5.947 -2.059 -4.231 1.00 0.00 C ATOM 239 CE3 TRP A 13 5.434 0.282 -3.892 1.00 0.00 C ATOM 240 CZ2 TRP A 13 7.321 -1.807 -4.099 1.00 0.00 C ATOM 241 CZ3 TRP A 13 6.813 0.547 -3.758 1.00 0.00 C ATOM 242 CH2 TRP A 13 7.755 -0.493 -3.858 1.00 0.00 C ATOM 0 H TRP A 13 -0.095 -1.432 -4.605 1.00 0.00 H new ATOM 0 HA TRP A 13 1.763 -2.369 -2.718 1.00 0.00 H new ATOM 0 HB2 TRP A 13 1.783 -1.225 -5.238 1.00 0.00 H new ATOM 0 HB3 TRP A 13 2.412 0.087 -4.262 1.00 0.00 H new ATOM 0 HD1 TRP A 13 3.102 -3.691 -4.714 1.00 0.00 H new ATOM 0 HE1 TRP A 13 5.642 -4.130 -4.602 1.00 0.00 H new ATOM 0 HE3 TRP A 13 4.727 1.094 -3.813 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 8.035 -2.613 -4.182 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 7.149 1.557 -3.577 1.00 0.00 H new ATOM 0 HH2 TRP A 13 8.809 -0.282 -3.750 1.00 0.00 H new ATOM 253 N TYR A 14 0.566 0.584 -1.960 1.00 0.00 N ATOM 254 CA TYR A 14 0.438 1.567 -0.872 1.00 0.00 C ATOM 255 C TYR A 14 0.082 0.910 0.479 1.00 0.00 C ATOM 256 O TYR A 14 0.651 1.253 1.518 1.00 0.00 O ATOM 257 CB TYR A 14 -0.610 2.618 -1.273 1.00 0.00 C ATOM 258 CG TYR A 14 -0.541 3.917 -0.493 1.00 0.00 C ATOM 259 CD1 TYR A 14 0.306 4.953 -0.938 1.00 0.00 C ATOM 260 CD2 TYR A 14 -1.342 4.109 0.651 1.00 0.00 C ATOM 261 CE1 TYR A 14 0.348 6.181 -0.250 1.00 0.00 C ATOM 262 CE2 TYR A 14 -1.302 5.336 1.343 1.00 0.00 C ATOM 263 CZ TYR A 14 -0.460 6.377 0.893 1.00 0.00 C ATOM 264 OH TYR A 14 -0.439 7.566 1.557 1.00 0.00 O ATOM 0 H TYR A 14 -0.089 0.747 -2.724 1.00 0.00 H new ATOM 0 HA TYR A 14 1.405 2.047 -0.726 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.493 2.841 -2.333 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -1.603 2.187 -1.146 1.00 0.00 H new ATOM 0 HD1 TYR A 14 0.925 4.804 -1.810 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -1.987 3.315 0.997 1.00 0.00 H new ATOM 0 HE1 TYR A 14 0.997 6.972 -0.595 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -1.916 5.481 2.219 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.056 7.527 2.318 1.00 0.00 H new ATOM 274 N ILE A 15 -0.825 -0.074 0.465 1.00 0.00 N ATOM 275 CA ILE A 15 -1.219 -0.863 1.645 1.00 0.00 C ATOM 276 C ILE A 15 -0.071 -1.794 2.077 1.00 0.00 C ATOM 277 O ILE A 15 0.262 -1.851 3.264 1.00 0.00 O ATOM 278 CB ILE A 15 -2.528 -1.635 1.357 1.00 0.00 C ATOM 279 CG1 ILE A 15 -3.696 -0.672 1.012 1.00 0.00 C ATOM 280 CG2 ILE A 15 -2.941 -2.502 2.561 1.00 0.00 C ATOM 281 CD1 ILE A 15 -4.647 -1.270 -0.029 1.00 0.00 C ATOM 0 H ILE A 15 -1.318 -0.352 -0.384 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.416 -0.191 2.481 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.327 -2.276 0.498 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.253 -0.439 1.919 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.292 0.268 0.636 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.864 -3.032 2.328 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.153 -3.223 2.777 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.098 -1.865 3.431 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -5.448 -0.562 -0.239 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.097 -1.479 -0.947 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -5.073 -2.196 0.357 1.00 0.00 H new ATOM 293 N LYS A 16 0.582 -2.485 1.127 1.00 0.00 N ATOM 294 CA LYS A 16 1.760 -3.339 1.397 1.00 0.00 C ATOM 295 C LYS A 16 2.895 -2.551 2.069 1.00 0.00 C ATOM 296 O LYS A 16 3.496 -3.036 3.027 1.00 0.00 O ATOM 297 CB LYS A 16 2.250 -4.025 0.106 1.00 0.00 C ATOM 298 CG LYS A 16 1.269 -5.042 -0.506 1.00 0.00 C ATOM 299 CD LYS A 16 0.990 -6.255 0.395 1.00 0.00 C ATOM 300 CE LYS A 16 0.205 -7.315 -0.390 1.00 0.00 C ATOM 301 NZ LYS A 16 -0.258 -8.424 0.487 1.00 0.00 N ATOM 0 H LYS A 16 0.309 -2.469 0.144 1.00 0.00 H new ATOM 0 HA LYS A 16 1.447 -4.114 2.097 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.463 -3.256 -0.637 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.191 -4.533 0.318 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.327 -4.538 -0.723 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.670 -5.392 -1.457 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.929 -6.676 0.754 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.423 -5.945 1.273 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.655 -6.848 -0.870 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.833 -7.718 -1.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.784 -9.119 -0.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.564 -8.886 0.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.878 -8.043 1.230 1.00 0.00 H new ATOM 315 N LEU A 17 3.156 -1.322 1.618 1.00 0.00 N ATOM 316 CA LEU A 17 4.134 -0.406 2.219 1.00 0.00 C ATOM 317 C LEU A 17 3.806 -0.093 3.686 1.00 0.00 C ATOM 318 O LEU A 17 4.692 -0.199 4.531 1.00 0.00 O ATOM 319 CB LEU A 17 4.220 0.894 1.400 1.00 0.00 C ATOM 320 CG LEU A 17 5.060 0.785 0.115 1.00 0.00 C ATOM 321 CD1 LEU A 17 4.799 2.017 -0.752 1.00 0.00 C ATOM 322 CD2 LEU A 17 6.560 0.727 0.422 1.00 0.00 C ATOM 0 H LEU A 17 2.683 -0.925 0.806 1.00 0.00 H new ATOM 0 HA LEU A 17 5.103 -0.906 2.203 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.211 1.208 1.134 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.642 1.678 2.029 1.00 0.00 H new ATOM 0 HG LEU A 17 4.773 -0.133 -0.398 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.389 1.951 -1.666 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.740 2.065 -1.007 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.081 2.915 -0.202 1.00 0.00 H new ATOM 0 HD21 LEU A 17 7.119 0.650 -0.510 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.858 1.632 0.951 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.771 -0.143 1.044 1.00 0.00 H new ATOM 334 N PHE A 18 2.554 0.243 4.015 1.00 0.00 N ATOM 335 CA PHE A 18 2.132 0.489 5.403 1.00 0.00 C ATOM 336 C PHE A 18 2.439 -0.703 6.327 1.00 0.00 C ATOM 337 O PHE A 18 2.993 -0.512 7.411 1.00 0.00 O ATOM 338 CB PHE A 18 0.642 0.861 5.440 1.00 0.00 C ATOM 339 CG PHE A 18 0.141 1.262 6.817 1.00 0.00 C ATOM 340 CD1 PHE A 18 0.204 2.607 7.228 1.00 0.00 C ATOM 341 CD2 PHE A 18 -0.389 0.292 7.692 1.00 0.00 C ATOM 342 CE1 PHE A 18 -0.268 2.983 8.499 1.00 0.00 C ATOM 343 CE2 PHE A 18 -0.859 0.667 8.964 1.00 0.00 C ATOM 344 CZ PHE A 18 -0.804 2.014 9.365 1.00 0.00 C ATOM 0 H PHE A 18 1.805 0.352 3.331 1.00 0.00 H new ATOM 0 HA PHE A 18 2.712 1.328 5.786 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.466 1.683 4.746 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.057 0.013 5.084 1.00 0.00 H new ATOM 0 HD1 PHE A 18 0.616 3.353 6.565 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.434 -0.742 7.385 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.219 4.016 8.809 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.262 -0.079 9.632 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.173 2.304 10.338 1.00 0.00 H new ATOM 354 N ILE A 19 2.146 -1.932 5.882 1.00 0.00 N ATOM 355 CA ILE A 19 2.472 -3.171 6.611 1.00 0.00 C ATOM 356 C ILE A 19 3.986 -3.286 6.861 1.00 0.00 C ATOM 357 O ILE A 19 4.392 -3.627 7.969 1.00 0.00 O ATOM 358 CB ILE A 19 1.921 -4.421 5.879 1.00 0.00 C ATOM 359 CG1 ILE A 19 0.376 -4.388 5.775 1.00 0.00 C ATOM 360 CG2 ILE A 19 2.340 -5.710 6.618 1.00 0.00 C ATOM 361 CD1 ILE A 19 -0.168 -5.261 4.636 1.00 0.00 C ATOM 0 H ILE A 19 1.670 -2.099 4.995 1.00 0.00 H new ATOM 0 HA ILE A 19 1.980 -3.122 7.583 1.00 0.00 H new ATOM 0 HB ILE A 19 2.342 -4.413 4.874 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.053 -4.723 6.719 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.050 -3.359 5.624 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.944 -6.577 6.090 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.428 -5.772 6.653 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.944 -5.692 7.634 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.256 -5.196 4.615 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.235 -4.911 3.685 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.130 -6.297 4.797 1.00 0.00 H new ATOM 373 N MET A 20 4.830 -2.974 5.872 1.00 0.00 N ATOM 374 CA MET A 20 6.296 -2.989 6.015 1.00 0.00 C ATOM 375 C MET A 20 6.797 -1.927 7.010 1.00 0.00 C ATOM 376 O MET A 20 7.602 -2.238 7.890 1.00 0.00 O ATOM 377 CB MET A 20 6.979 -2.776 4.654 1.00 0.00 C ATOM 378 CG MET A 20 6.601 -3.822 3.596 1.00 0.00 C ATOM 379 SD MET A 20 7.938 -4.959 3.135 1.00 0.00 S ATOM 380 CE MET A 20 7.791 -4.859 1.330 1.00 0.00 C ATOM 0 H MET A 20 4.516 -2.701 4.941 1.00 0.00 H new ATOM 0 HA MET A 20 6.560 -3.971 6.408 1.00 0.00 H new ATOM 0 HB2 MET A 20 6.720 -1.786 4.280 1.00 0.00 H new ATOM 0 HB3 MET A 20 8.060 -2.791 4.795 1.00 0.00 H new ATOM 0 HG2 MET A 20 5.759 -4.406 3.968 1.00 0.00 H new ATOM 0 HG3 MET A 20 6.259 -3.304 2.700 1.00 0.00 H new ATOM 0 HE1 MET A 20 8.542 -5.500 0.868 1.00 0.00 H new ATOM 0 HE2 MET A 20 6.797 -5.188 1.027 1.00 0.00 H new ATOM 0 HE3 MET A 20 7.946 -3.829 1.009 1.00 0.00 H new ATOM 390 N ILE A 21 6.319 -0.682 6.883 1.00 0.00 N ATOM 391 CA ILE A 21 6.716 0.460 7.724 1.00 0.00 C ATOM 392 C ILE A 21 6.338 0.198 9.188 1.00 0.00 C ATOM 393 O ILE A 21 7.203 0.199 10.065 1.00 0.00 O ATOM 394 CB ILE A 21 6.065 1.764 7.190 1.00 0.00 C ATOM 395 CG1 ILE A 21 6.600 2.135 5.787 1.00 0.00 C ATOM 396 CG2 ILE A 21 6.309 2.943 8.150 1.00 0.00 C ATOM 397 CD1 ILE A 21 5.693 3.126 5.039 1.00 0.00 C ATOM 0 H ILE A 21 5.628 -0.433 6.175 1.00 0.00 H new ATOM 0 HA ILE A 21 7.798 0.583 7.679 1.00 0.00 H new ATOM 0 HB ILE A 21 4.994 1.572 7.120 1.00 0.00 H new ATOM 0 HG12 ILE A 21 7.596 2.567 5.887 1.00 0.00 H new ATOM 0 HG13 ILE A 21 6.704 1.227 5.193 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.841 3.842 7.749 1.00 0.00 H new ATOM 0 HG22 ILE A 21 5.878 2.714 9.125 1.00 0.00 H new ATOM 0 HG23 ILE A 21 7.381 3.109 8.257 1.00 0.00 H new ATOM 0 HD11 ILE A 21 6.123 3.346 4.062 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.704 2.687 4.910 1.00 0.00 H new ATOM 0 HD13 ILE A 21 5.609 4.048 5.615 1.00 0.00 H new ATOM 409 N VAL A 22 5.067 -0.108 9.463 1.00 0.00 N ATOM 410 CA VAL A 22 4.593 -0.408 10.825 1.00 0.00 C ATOM 411 C VAL A 22 5.168 -1.726 11.331 1.00 0.00 C ATOM 412 O VAL A 22 5.516 -1.812 12.503 1.00 0.00 O ATOM 413 CB VAL A 22 3.056 -0.409 10.904 1.00 0.00 C ATOM 414 CG1 VAL A 22 2.541 -0.700 12.319 1.00 0.00 C ATOM 415 CG2 VAL A 22 2.513 0.973 10.507 1.00 0.00 C ATOM 0 H VAL A 22 4.336 -0.156 8.753 1.00 0.00 H new ATOM 0 HA VAL A 22 4.954 0.388 11.476 1.00 0.00 H new ATOM 0 HB VAL A 22 2.714 -1.193 10.228 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.451 -0.689 12.319 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.894 -1.680 12.640 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.912 0.062 13.005 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.425 0.967 10.565 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.908 1.728 11.187 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.821 1.206 9.488 1.00 0.00 H new ATOM 425 N GLY A 23 5.373 -2.724 10.469 1.00 0.00 N ATOM 426 CA GLY A 23 5.962 -4.014 10.837 1.00 0.00 C ATOM 427 C GLY A 23 7.350 -3.916 11.492 1.00 0.00 C ATOM 428 O GLY A 23 7.735 -4.810 12.250 1.00 0.00 O ATOM 0 H GLY A 23 5.131 -2.658 9.480 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.286 -4.526 11.522 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.039 -4.633 9.943 1.00 0.00 H new ATOM 432 N GLY A 24 8.087 -2.826 11.235 1.00 0.00 N ATOM 433 CA GLY A 24 9.385 -2.511 11.848 1.00 0.00 C ATOM 434 C GLY A 24 9.334 -1.374 12.881 1.00 0.00 C ATOM 435 O GLY A 24 10.168 -1.346 13.788 1.00 0.00 O ATOM 0 H GLY A 24 7.784 -2.114 10.570 1.00 0.00 H new ATOM 0 HA2 GLY A 24 9.774 -3.408 12.330 1.00 0.00 H new ATOM 0 HA3 GLY A 24 10.090 -2.241 11.062 1.00 0.00 H new ATOM 439 N LEU A 25 8.364 -0.453 12.791 1.00 0.00 N ATOM 440 CA LEU A 25 8.185 0.657 13.745 1.00 0.00 C ATOM 441 C LEU A 25 7.293 0.322 14.955 1.00 0.00 C ATOM 442 O LEU A 25 7.379 1.011 15.967 1.00 0.00 O ATOM 443 CB LEU A 25 7.634 1.898 13.016 1.00 0.00 C ATOM 444 CG LEU A 25 8.590 2.546 11.997 1.00 0.00 C ATOM 445 CD1 LEU A 25 7.916 3.779 11.395 1.00 0.00 C ATOM 446 CD2 LEU A 25 9.912 3.003 12.622 1.00 0.00 C ATOM 0 H LEU A 25 7.670 -0.456 12.043 1.00 0.00 H new ATOM 0 HA LEU A 25 9.176 0.858 14.152 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.716 1.617 12.499 1.00 0.00 H new ATOM 0 HB3 LEU A 25 7.364 2.646 13.762 1.00 0.00 H new ATOM 0 HG LEU A 25 8.811 1.787 11.247 1.00 0.00 H new ATOM 0 HD11 LEU A 25 8.587 4.244 10.672 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.994 3.482 10.896 1.00 0.00 H new ATOM 0 HD13 LEU A 25 7.686 4.491 12.187 1.00 0.00 H new ATOM 0 HD21 LEU A 25 10.542 3.451 11.854 1.00 0.00 H new ATOM 0 HD22 LEU A 25 9.711 3.739 13.401 1.00 0.00 H new ATOM 0 HD23 LEU A 25 10.425 2.145 13.057 1.00 0.00 H new ATOM 458 N VAL A 26 6.464 -0.727 14.904 1.00 0.00 N ATOM 459 CA VAL A 26 5.578 -1.137 16.015 1.00 0.00 C ATOM 460 C VAL A 26 6.358 -1.603 17.253 1.00 0.00 C ATOM 461 O VAL A 26 5.941 -1.354 18.387 1.00 0.00 O ATOM 462 CB VAL A 26 4.565 -2.202 15.538 1.00 0.00 C ATOM 463 CG1 VAL A 26 5.187 -3.565 15.199 1.00 0.00 C ATOM 464 CG2 VAL A 26 3.429 -2.412 16.540 1.00 0.00 C ATOM 0 H VAL A 26 6.384 -1.327 14.083 1.00 0.00 H new ATOM 0 HA VAL A 26 5.021 -0.254 16.328 1.00 0.00 H new ATOM 0 HB VAL A 26 4.169 -1.784 14.612 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.405 -4.251 14.873 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.918 -3.443 14.400 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.680 -3.970 16.083 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.744 -3.169 16.160 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.841 -2.742 17.494 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.891 -1.475 16.682 1.00 0.00 H new ATOM 474 N LYS A 27 7.516 -2.243 17.039 1.00 0.00 N ATOM 475 CA LYS A 27 8.424 -2.752 18.084 1.00 0.00 C ATOM 476 C LYS A 27 9.364 -1.683 18.676 1.00 0.00 C ATOM 477 O LYS A 27 9.725 -1.795 19.848 1.00 0.00 O ATOM 478 CB LYS A 27 9.184 -3.972 17.522 1.00 0.00 C ATOM 479 CG LYS A 27 10.231 -3.638 16.438 1.00 0.00 C ATOM 480 CD LYS A 27 11.665 -3.524 16.987 1.00 0.00 C ATOM 481 CE LYS A 27 12.353 -4.892 17.101 1.00 0.00 C ATOM 482 NZ LYS A 27 12.892 -5.355 15.794 1.00 0.00 N ATOM 0 H LYS A 27 7.862 -2.429 16.098 1.00 0.00 H new ATOM 0 HA LYS A 27 7.821 -3.060 18.938 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.684 -4.482 18.345 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.461 -4.673 17.105 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.205 -4.409 15.668 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.958 -2.699 15.957 1.00 0.00 H new ATOM 0 HD2 LYS A 27 12.252 -2.877 16.334 1.00 0.00 H new ATOM 0 HD3 LYS A 27 11.640 -3.049 17.968 1.00 0.00 H new ATOM 0 HE2 LYS A 27 13.164 -4.831 17.826 1.00 0.00 H new ATOM 0 HE3 LYS A 27 11.641 -5.625 17.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 13.348 -6.282 15.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 12.115 -5.439 15.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 13.590 -4.669 15.444 1.00 0.00 H new ATOM 496 N LYS A 28 9.698 -0.654 17.878 1.00 0.00 N ATOM 497 CA LYS A 28 10.641 0.471 18.089 1.00 0.00 C ATOM 498 C LYS A 28 12.094 0.072 18.412 1.00 0.00 C ATOM 499 O LYS A 28 12.972 0.383 17.577 1.00 0.00 O ATOM 500 CB LYS A 28 10.067 1.512 19.074 1.00 0.00 C ATOM 501 CG LYS A 28 8.741 2.094 18.558 1.00 0.00 C ATOM 502 CD LYS A 28 8.154 3.221 19.423 1.00 0.00 C ATOM 503 CE LYS A 28 8.165 4.559 18.670 1.00 0.00 C ATOM 504 NZ LYS A 28 7.222 5.538 19.271 1.00 0.00 N ATOM 505 OXT LYS A 28 12.371 -0.520 19.480 1.00 0.00 O ATOM 0 H LYS A 28 9.264 -0.577 16.958 1.00 0.00 H new ATOM 0 HA LYS A 28 10.731 0.946 17.112 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.909 1.047 20.047 1.00 0.00 H new ATOM 0 HB3 LYS A 28 10.788 2.316 19.218 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.895 2.473 17.548 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.009 1.289 18.489 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.133 2.970 19.709 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.729 3.314 20.344 1.00 0.00 H new ATOM 0 HE2 LYS A 28 9.173 4.973 18.679 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.899 4.391 17.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.258 6.429 18.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.256 5.154 19.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.491 5.718 20.259 1.00 0.00 H new TER 519 LYS A 28