USER MOD reduce.3.24.130724 H: found=0, std=0, add=244, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 244 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 ASN : amide:sc= -0.107 X(o=-0.11,f=-0.43) USER MOD Single : A 1 ASN N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 THR OG1 : rot -89:sc= 0.124 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -10.319 -7.574 -14.637 1.00 0.00 N ATOM 2 CA ASN A 1 -11.726 -7.562 -14.154 1.00 0.00 C ATOM 3 C ASN A 1 -12.404 -6.231 -14.485 1.00 0.00 C ATOM 4 O ASN A 1 -13.049 -6.142 -15.528 1.00 0.00 O ATOM 5 CB ASN A 1 -11.864 -7.976 -12.669 1.00 0.00 C ATOM 6 CG ASN A 1 -11.881 -9.498 -12.521 1.00 0.00 C ATOM 7 OD1 ASN A 1 -12.633 -10.194 -13.191 1.00 0.00 O ATOM 8 ND2 ASN A 1 -11.065 -10.078 -11.663 1.00 0.00 N ATOM 0 H1 ASN A 1 -9.879 -8.486 -14.402 1.00 0.00 H new ATOM 0 H2 ASN A 1 -10.305 -7.439 -15.668 1.00 0.00 H new ATOM 0 H3 ASN A 1 -9.788 -6.805 -14.180 1.00 0.00 H new ATOM 0 HA ASN A 1 -12.265 -8.337 -14.699 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -11.036 -7.561 -12.094 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -12.781 -7.557 -12.255 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -11.066 -11.093 -11.565 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -10.433 -9.511 -11.098 1.00 0.00 H new ATOM 17 N GLU A 2 -12.274 -5.192 -13.648 1.00 0.00 N ATOM 18 CA GLU A 2 -12.903 -3.874 -13.865 1.00 0.00 C ATOM 19 C GLU A 2 -11.948 -2.703 -13.581 1.00 0.00 C ATOM 20 O GLU A 2 -11.061 -2.781 -12.725 1.00 0.00 O ATOM 21 CB GLU A 2 -14.162 -3.728 -12.985 1.00 0.00 C ATOM 22 CG GLU A 2 -15.342 -4.567 -13.494 1.00 0.00 C ATOM 23 CD GLU A 2 -16.615 -4.374 -12.642 1.00 0.00 C ATOM 24 OE1 GLU A 2 -17.020 -3.214 -12.382 1.00 0.00 O ATOM 25 OE2 GLU A 2 -17.243 -5.388 -12.249 1.00 0.00 O ATOM 0 H GLU A 2 -11.724 -5.240 -12.791 1.00 0.00 H new ATOM 0 HA GLU A 2 -13.173 -3.831 -14.920 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -13.923 -4.026 -11.964 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -14.456 -2.679 -12.950 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -15.556 -4.297 -14.528 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -15.063 -5.621 -13.491 1.00 0.00 H new ATOM 32 N GLN A 3 -12.185 -1.582 -14.268 1.00 0.00 N ATOM 33 CA GLN A 3 -11.455 -0.317 -14.112 1.00 0.00 C ATOM 34 C GLN A 3 -11.527 0.263 -12.687 1.00 0.00 C ATOM 35 O GLN A 3 -10.534 0.798 -12.199 1.00 0.00 O ATOM 36 CB GLN A 3 -11.941 0.675 -15.187 1.00 0.00 C ATOM 37 CG GLN A 3 -13.427 1.080 -15.074 1.00 0.00 C ATOM 38 CD GLN A 3 -14.055 1.403 -16.433 1.00 0.00 C ATOM 39 OE1 GLN A 3 -14.105 0.576 -17.336 1.00 0.00 O ATOM 40 NE2 GLN A 3 -14.593 2.588 -16.632 1.00 0.00 N ATOM 0 H GLN A 3 -12.918 -1.527 -14.975 1.00 0.00 H new ATOM 0 HA GLN A 3 -10.393 -0.513 -14.262 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -11.329 1.575 -15.133 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -11.773 0.234 -16.170 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -13.985 0.271 -14.603 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -13.514 1.949 -14.422 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -14.563 3.292 -15.894 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -15.040 2.802 -17.524 1.00 0.00 H new ATOM 49 N GLU A 4 -12.655 0.100 -11.982 1.00 0.00 N ATOM 50 CA GLU A 4 -12.806 0.517 -10.576 1.00 0.00 C ATOM 51 C GLU A 4 -11.817 -0.198 -9.642 1.00 0.00 C ATOM 52 O GLU A 4 -11.243 0.432 -8.749 1.00 0.00 O ATOM 53 CB GLU A 4 -14.244 0.274 -10.086 1.00 0.00 C ATOM 54 CG GLU A 4 -15.237 1.291 -10.674 1.00 0.00 C ATOM 55 CD GLU A 4 -16.663 1.183 -10.083 1.00 0.00 C ATOM 56 OE1 GLU A 4 -16.972 0.239 -9.313 1.00 0.00 O ATOM 57 OE2 GLU A 4 -17.502 2.066 -10.388 1.00 0.00 O ATOM 0 H GLU A 4 -13.495 -0.327 -12.371 1.00 0.00 H new ATOM 0 HA GLU A 4 -12.584 1.584 -10.544 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -14.554 -0.734 -10.360 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -14.270 0.331 -8.998 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -14.857 2.298 -10.501 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -15.289 1.151 -11.754 1.00 0.00 H new ATOM 64 N LEU A 5 -11.584 -1.501 -9.856 1.00 0.00 N ATOM 65 CA LEU A 5 -10.588 -2.268 -9.103 1.00 0.00 C ATOM 66 C LEU A 5 -9.175 -1.756 -9.404 1.00 0.00 C ATOM 67 O LEU A 5 -8.389 -1.551 -8.481 1.00 0.00 O ATOM 68 CB LEU A 5 -10.717 -3.781 -9.399 1.00 0.00 C ATOM 69 CG LEU A 5 -11.073 -4.592 -8.140 1.00 0.00 C ATOM 70 CD1 LEU A 5 -12.539 -4.395 -7.744 1.00 0.00 C ATOM 71 CD2 LEU A 5 -10.836 -6.083 -8.377 1.00 0.00 C ATOM 0 H LEU A 5 -12.082 -2.050 -10.556 1.00 0.00 H new ATOM 0 HA LEU A 5 -10.775 -2.126 -8.039 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -11.484 -3.937 -10.158 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -9.779 -4.150 -9.813 1.00 0.00 H new ATOM 0 HG LEU A 5 -10.431 -4.232 -7.336 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -12.757 -4.982 -6.851 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -12.722 -3.340 -7.539 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -13.183 -4.723 -8.560 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -11.093 -6.640 -7.476 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -11.459 -6.423 -9.204 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -9.787 -6.251 -8.620 1.00 0.00 H new ATOM 83 N LEU A 6 -8.860 -1.508 -10.681 1.00 0.00 N ATOM 84 CA LEU A 6 -7.566 -0.973 -11.125 1.00 0.00 C ATOM 85 C LEU A 6 -7.242 0.417 -10.548 1.00 0.00 C ATOM 86 O LEU A 6 -6.082 0.675 -10.224 1.00 0.00 O ATOM 87 CB LEU A 6 -7.506 -0.960 -12.670 1.00 0.00 C ATOM 88 CG LEU A 6 -6.514 -1.989 -13.235 1.00 0.00 C ATOM 89 CD1 LEU A 6 -7.012 -3.424 -13.043 1.00 0.00 C ATOM 90 CD2 LEU A 6 -6.305 -1.751 -14.731 1.00 0.00 C ATOM 0 H LEU A 6 -9.509 -1.677 -11.450 1.00 0.00 H new ATOM 0 HA LEU A 6 -6.797 -1.639 -10.733 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -8.500 -1.162 -13.070 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -7.223 0.036 -13.010 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.578 -1.863 -12.690 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -6.282 -4.121 -13.456 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -7.144 -3.624 -11.980 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.965 -3.550 -13.557 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -5.600 -2.485 -15.121 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -7.258 -1.850 -15.252 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -5.908 -0.748 -14.888 1.00 0.00 H new ATOM 102 N GLU A 7 -8.227 1.309 -10.394 1.00 0.00 N ATOM 103 CA GLU A 7 -8.007 2.615 -9.749 1.00 0.00 C ATOM 104 C GLU A 7 -7.550 2.459 -8.289 1.00 0.00 C ATOM 105 O GLU A 7 -6.613 3.136 -7.856 1.00 0.00 O ATOM 106 CB GLU A 7 -9.257 3.513 -9.810 1.00 0.00 C ATOM 107 CG GLU A 7 -9.596 3.989 -11.230 1.00 0.00 C ATOM 108 CD GLU A 7 -10.278 5.371 -11.210 1.00 0.00 C ATOM 109 OE1 GLU A 7 -11.496 5.455 -10.916 1.00 0.00 O ATOM 110 OE2 GLU A 7 -9.599 6.389 -11.495 1.00 0.00 O ATOM 0 H GLU A 7 -9.185 1.153 -10.706 1.00 0.00 H new ATOM 0 HA GLU A 7 -7.212 3.100 -10.315 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -10.108 2.966 -9.405 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -9.103 4.382 -9.170 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -8.685 4.039 -11.826 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -10.252 3.264 -11.712 1.00 0.00 H new ATOM 117 N LEU A 8 -8.173 1.546 -7.532 1.00 0.00 N ATOM 118 CA LEU A 8 -7.781 1.249 -6.152 1.00 0.00 C ATOM 119 C LEU A 8 -6.498 0.403 -6.048 1.00 0.00 C ATOM 120 O LEU A 8 -5.765 0.540 -5.071 1.00 0.00 O ATOM 121 CB LEU A 8 -8.953 0.589 -5.394 1.00 0.00 C ATOM 122 CG LEU A 8 -9.236 1.307 -4.060 1.00 0.00 C ATOM 123 CD1 LEU A 8 -9.970 2.632 -4.289 1.00 0.00 C ATOM 124 CD2 LEU A 8 -10.102 0.442 -3.144 1.00 0.00 C ATOM 0 H LEU A 8 -8.964 0.993 -7.862 1.00 0.00 H new ATOM 0 HA LEU A 8 -7.542 2.202 -5.680 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -9.848 0.609 -6.016 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -8.721 -0.459 -5.203 1.00 0.00 H new ATOM 0 HG LEU A 8 -8.269 1.494 -3.593 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -10.156 3.115 -3.330 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -9.358 3.284 -4.912 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -10.920 2.440 -4.789 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -10.286 0.973 -2.210 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -11.052 0.230 -3.635 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -9.586 -0.495 -2.933 1.00 0.00 H new ATOM 136 N ASP A 9 -6.183 -0.428 -7.047 1.00 0.00 N ATOM 137 CA ASP A 9 -4.980 -1.274 -7.100 1.00 0.00 C ATOM 138 C ASP A 9 -3.680 -0.454 -6.990 1.00 0.00 C ATOM 139 O ASP A 9 -2.761 -0.822 -6.256 1.00 0.00 O ATOM 140 CB ASP A 9 -4.986 -2.101 -8.396 1.00 0.00 C ATOM 141 CG ASP A 9 -3.886 -3.176 -8.389 1.00 0.00 C ATOM 142 OD1 ASP A 9 -4.019 -4.172 -7.638 1.00 0.00 O ATOM 143 OD2 ASP A 9 -2.898 -3.038 -9.148 1.00 0.00 O ATOM 0 H ASP A 9 -6.776 -0.536 -7.870 1.00 0.00 H new ATOM 0 HA ASP A 9 -5.006 -1.941 -6.238 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -5.959 -2.577 -8.520 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -4.843 -1.440 -9.251 1.00 0.00 H new ATOM 148 N LYS A 10 -3.627 0.693 -7.680 1.00 0.00 N ATOM 149 CA LYS A 10 -2.521 1.667 -7.626 1.00 0.00 C ATOM 150 C LYS A 10 -2.356 2.275 -6.228 1.00 0.00 C ATOM 151 O LYS A 10 -1.236 2.393 -5.729 1.00 0.00 O ATOM 152 CB LYS A 10 -2.773 2.760 -8.677 1.00 0.00 C ATOM 153 CG LYS A 10 -2.483 2.246 -10.099 1.00 0.00 C ATOM 154 CD LYS A 10 -3.386 2.908 -11.146 1.00 0.00 C ATOM 155 CE LYS A 10 -2.994 2.416 -12.545 1.00 0.00 C ATOM 156 NZ LYS A 10 -4.083 2.636 -13.533 1.00 0.00 N ATOM 0 H LYS A 10 -4.374 0.981 -8.312 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.588 1.149 -7.847 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.808 3.097 -8.614 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.143 3.624 -8.465 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -1.439 2.438 -10.348 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.625 1.166 -10.130 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.430 2.669 -10.944 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.291 3.992 -11.090 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.094 2.936 -12.874 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.751 1.354 -12.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -3.780 2.291 -14.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.934 2.120 -13.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.297 3.652 -13.593 1.00 0.00 H new ATOM 170 N TRP A 11 -3.467 2.639 -5.584 1.00 0.00 N ATOM 171 CA TRP A 11 -3.486 3.163 -4.211 1.00 0.00 C ATOM 172 C TRP A 11 -3.099 2.105 -3.167 1.00 0.00 C ATOM 173 O TRP A 11 -2.377 2.423 -2.221 1.00 0.00 O ATOM 174 CB TRP A 11 -4.856 3.794 -3.906 1.00 0.00 C ATOM 175 CG TRP A 11 -4.854 5.295 -3.929 1.00 0.00 C ATOM 176 CD1 TRP A 11 -5.265 6.085 -2.909 1.00 0.00 C ATOM 177 CD2 TRP A 11 -4.379 6.205 -4.973 1.00 0.00 C ATOM 178 NE1 TRP A 11 -5.070 7.413 -3.242 1.00 0.00 N ATOM 179 CE2 TRP A 11 -4.507 7.544 -4.494 1.00 0.00 C ATOM 180 CE3 TRP A 11 -3.833 6.043 -6.269 1.00 0.00 C ATOM 181 CZ2 TRP A 11 -4.101 8.657 -5.246 1.00 0.00 C ATOM 182 CZ3 TRP A 11 -3.421 7.154 -7.033 1.00 0.00 C ATOM 183 CH2 TRP A 11 -3.549 8.458 -6.523 1.00 0.00 C ATOM 0 H TRP A 11 -4.394 2.578 -6.005 1.00 0.00 H new ATOM 0 HA TRP A 11 -2.723 3.938 -4.142 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -5.582 3.430 -4.633 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -5.190 3.456 -2.925 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -5.682 5.732 -1.977 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -5.312 8.198 -2.637 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -3.730 5.050 -6.680 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -4.211 9.655 -4.848 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -3.004 7.002 -8.018 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -3.224 9.304 -7.111 1.00 0.00 H new ATOM 194 N ALA A 12 -3.507 0.846 -3.355 1.00 0.00 N ATOM 195 CA ALA A 12 -3.162 -0.275 -2.478 1.00 0.00 C ATOM 196 C ALA A 12 -1.640 -0.471 -2.324 1.00 0.00 C ATOM 197 O ALA A 12 -1.184 -0.834 -1.241 1.00 0.00 O ATOM 198 CB ALA A 12 -3.854 -1.547 -2.982 1.00 0.00 C ATOM 0 H ALA A 12 -4.100 0.573 -4.139 1.00 0.00 H new ATOM 0 HA ALA A 12 -3.525 -0.044 -1.477 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.598 -2.383 -2.331 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -4.934 -1.400 -2.977 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -3.522 -1.764 -3.997 1.00 0.00 H new ATOM 204 N SER A 13 -0.845 -0.177 -3.362 1.00 0.00 N ATOM 205 CA SER A 13 0.627 -0.219 -3.311 1.00 0.00 C ATOM 206 C SER A 13 1.184 0.719 -2.232 1.00 0.00 C ATOM 207 O SER A 13 1.873 0.266 -1.317 1.00 0.00 O ATOM 208 CB SER A 13 1.238 0.130 -4.676 1.00 0.00 C ATOM 209 OG SER A 13 0.826 -0.804 -5.662 1.00 0.00 O ATOM 0 H SER A 13 -1.209 0.101 -4.274 1.00 0.00 H new ATOM 0 HA SER A 13 0.907 -1.240 -3.052 1.00 0.00 H new ATOM 0 HB2 SER A 13 0.934 1.135 -4.970 1.00 0.00 H new ATOM 0 HB3 SER A 13 2.326 0.134 -4.603 1.00 0.00 H new ATOM 0 HG SER A 13 1.223 -0.565 -6.525 1.00 0.00 H new ATOM 215 N LEU A 14 0.856 2.017 -2.296 1.00 0.00 N ATOM 216 CA LEU A 14 1.231 3.014 -1.280 1.00 0.00 C ATOM 217 C LEU A 14 0.615 2.716 0.099 1.00 0.00 C ATOM 218 O LEU A 14 1.290 2.862 1.120 1.00 0.00 O ATOM 219 CB LEU A 14 0.831 4.426 -1.765 1.00 0.00 C ATOM 220 CG LEU A 14 1.956 5.148 -2.529 1.00 0.00 C ATOM 221 CD1 LEU A 14 1.399 6.374 -3.255 1.00 0.00 C ATOM 222 CD2 LEU A 14 3.060 5.633 -1.582 1.00 0.00 C ATOM 0 H LEU A 14 0.315 2.411 -3.066 1.00 0.00 H new ATOM 0 HA LEU A 14 2.312 2.963 -1.152 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.044 4.347 -2.410 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.540 5.029 -0.905 1.00 0.00 H new ATOM 0 HG LEU A 14 2.371 4.430 -3.237 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.204 6.876 -3.792 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.632 6.060 -3.963 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.964 7.060 -2.529 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.837 6.138 -2.157 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.637 6.327 -0.856 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.492 4.780 -1.059 1.00 0.00 H new ATOM 234 N TRP A 15 -0.646 2.277 0.139 1.00 0.00 N ATOM 235 CA TRP A 15 -1.366 1.952 1.374 1.00 0.00 C ATOM 236 C TRP A 15 -0.693 0.817 2.165 1.00 0.00 C ATOM 237 O TRP A 15 -0.401 0.973 3.352 1.00 0.00 O ATOM 238 CB TRP A 15 -2.825 1.619 1.041 1.00 0.00 C ATOM 239 CG TRP A 15 -3.739 1.590 2.224 1.00 0.00 C ATOM 240 CD1 TRP A 15 -4.077 0.489 2.934 1.00 0.00 C ATOM 241 CD2 TRP A 15 -4.430 2.711 2.856 1.00 0.00 C ATOM 242 NE1 TRP A 15 -4.927 0.853 3.964 1.00 0.00 N ATOM 243 CE2 TRP A 15 -5.176 2.209 3.963 1.00 0.00 C ATOM 244 CE3 TRP A 15 -4.500 4.100 2.607 1.00 0.00 C ATOM 245 CZ2 TRP A 15 -5.952 3.044 4.784 1.00 0.00 C ATOM 246 CZ3 TRP A 15 -5.276 4.946 3.423 1.00 0.00 C ATOM 247 CH2 TRP A 15 -6.001 4.422 4.509 1.00 0.00 C ATOM 0 H TRP A 15 -1.206 2.135 -0.702 1.00 0.00 H new ATOM 0 HA TRP A 15 -1.338 2.826 2.024 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -3.198 2.353 0.327 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -2.859 0.648 0.547 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -3.737 -0.516 2.729 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -5.321 0.199 4.640 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -3.950 4.520 1.778 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -6.504 2.633 5.616 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -5.315 6.005 3.214 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -6.594 5.077 5.130 1.00 0.00 H new ATOM 258 N ASN A 16 -0.399 -0.312 1.511 1.00 0.00 N ATOM 259 CA ASN A 16 0.331 -1.432 2.113 1.00 0.00 C ATOM 260 C ASN A 16 1.799 -1.071 2.410 1.00 0.00 C ATOM 261 O ASN A 16 2.329 -1.494 3.441 1.00 0.00 O ATOM 262 CB ASN A 16 0.224 -2.675 1.208 1.00 0.00 C ATOM 263 CG ASN A 16 -1.135 -3.364 1.298 1.00 0.00 C ATOM 264 OD1 ASN A 16 -2.195 -2.753 1.280 1.00 0.00 O ATOM 265 ND2 ASN A 16 -1.155 -4.674 1.415 1.00 0.00 N ATOM 0 H ASN A 16 -0.664 -0.475 0.540 1.00 0.00 H new ATOM 0 HA ASN A 16 -0.129 -1.661 3.074 1.00 0.00 H new ATOM 0 HB2 ASN A 16 0.409 -2.382 0.175 1.00 0.00 H new ATOM 0 HB3 ASN A 16 1.004 -3.385 1.482 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -2.045 -5.166 1.489 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -0.280 -5.198 1.432 1.00 0.00 H new ATOM 272 N TRP A 17 2.453 -0.262 1.564 1.00 0.00 N ATOM 273 CA TRP A 17 3.816 0.224 1.816 1.00 0.00 C ATOM 274 C TRP A 17 3.917 1.011 3.129 1.00 0.00 C ATOM 275 O TRP A 17 4.859 0.784 3.882 1.00 0.00 O ATOM 276 CB TRP A 17 4.328 1.066 0.641 1.00 0.00 C ATOM 277 CG TRP A 17 5.693 1.658 0.839 1.00 0.00 C ATOM 278 CD1 TRP A 17 6.858 0.968 0.816 1.00 0.00 C ATOM 279 CD2 TRP A 17 6.055 3.043 1.138 1.00 0.00 C ATOM 280 NE1 TRP A 17 7.913 1.830 1.044 1.00 0.00 N ATOM 281 CE2 TRP A 17 7.477 3.121 1.253 1.00 0.00 C ATOM 282 CE3 TRP A 17 5.331 4.241 1.334 1.00 0.00 C ATOM 283 CZ2 TRP A 17 8.148 4.323 1.525 1.00 0.00 C ATOM 284 CZ3 TRP A 17 5.994 5.454 1.614 1.00 0.00 C ATOM 285 CH2 TRP A 17 7.398 5.497 1.706 1.00 0.00 C ATOM 0 H TRP A 17 2.052 0.073 0.688 1.00 0.00 H new ATOM 0 HA TRP A 17 4.452 -0.656 1.915 1.00 0.00 H new ATOM 0 HB2 TRP A 17 4.343 0.444 -0.254 1.00 0.00 H new ATOM 0 HB3 TRP A 17 3.620 1.874 0.456 1.00 0.00 H new ATOM 0 HD1 TRP A 17 6.948 -0.095 0.645 1.00 0.00 H new ATOM 0 HE1 TRP A 17 8.893 1.547 1.056 1.00 0.00 H new ATOM 0 HE3 TRP A 17 4.253 4.227 1.268 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 9.226 4.345 1.594 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 5.420 6.357 1.759 1.00 0.00 H new ATOM 0 HH2 TRP A 17 7.898 6.431 1.915 1.00 0.00 H new ATOM 296 N PHE A 18 2.928 1.853 3.458 1.00 0.00 N ATOM 297 CA PHE A 18 2.889 2.636 4.704 1.00 0.00 C ATOM 298 C PHE A 18 3.105 1.780 5.971 1.00 0.00 C ATOM 299 O PHE A 18 3.787 2.203 6.909 1.00 0.00 O ATOM 300 CB PHE A 18 1.564 3.410 4.773 1.00 0.00 C ATOM 301 CG PHE A 18 1.563 4.544 5.782 1.00 0.00 C ATOM 302 CD1 PHE A 18 2.118 5.790 5.430 1.00 0.00 C ATOM 303 CD2 PHE A 18 1.008 4.365 7.065 1.00 0.00 C ATOM 304 CE1 PHE A 18 2.119 6.850 6.354 1.00 0.00 C ATOM 305 CE2 PHE A 18 1.011 5.426 7.989 1.00 0.00 C ATOM 306 CZ PHE A 18 1.565 6.669 7.633 1.00 0.00 C ATOM 0 H PHE A 18 2.119 2.013 2.858 1.00 0.00 H new ATOM 0 HA PHE A 18 3.725 3.335 4.681 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.340 3.815 3.786 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.762 2.715 5.022 1.00 0.00 H new ATOM 0 HD1 PHE A 18 2.544 5.932 4.448 1.00 0.00 H new ATOM 0 HD2 PHE A 18 0.580 3.412 7.339 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.546 7.804 6.081 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.588 5.286 8.973 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.565 7.484 8.342 1.00 0.00 H new ATOM 316 N ASN A 19 2.564 0.555 5.987 1.00 0.00 N ATOM 317 CA ASN A 19 2.764 -0.419 7.064 1.00 0.00 C ATOM 318 C ASN A 19 4.245 -0.833 7.181 1.00 0.00 C ATOM 319 O ASN A 19 4.795 -0.848 8.282 1.00 0.00 O ATOM 320 CB ASN A 19 1.845 -1.641 6.835 1.00 0.00 C ATOM 321 CG ASN A 19 0.823 -1.803 7.948 1.00 0.00 C ATOM 322 OD1 ASN A 19 -0.328 -1.409 7.831 1.00 0.00 O ATOM 323 ND2 ASN A 19 1.205 -2.383 9.064 1.00 0.00 N ATOM 0 H ASN A 19 1.965 0.208 5.238 1.00 0.00 H new ATOM 0 HA ASN A 19 2.494 0.045 8.013 1.00 0.00 H new ATOM 0 HB2 ASN A 19 1.328 -1.532 5.882 1.00 0.00 H new ATOM 0 HB3 ASN A 19 2.452 -2.543 6.767 1.00 0.00 H new ATOM 0 HD21 ASN A 19 0.541 -2.503 9.829 1.00 0.00 H new ATOM 0 HD22 ASN A 19 2.165 -2.713 9.165 1.00 0.00 H new ATOM 330 N ILE A 20 4.902 -1.130 6.053 1.00 0.00 N ATOM 331 CA ILE A 20 6.339 -1.446 5.963 1.00 0.00 C ATOM 332 C ILE A 20 7.208 -0.262 6.417 1.00 0.00 C ATOM 333 O ILE A 20 8.144 -0.463 7.194 1.00 0.00 O ATOM 334 CB ILE A 20 6.721 -1.913 4.538 1.00 0.00 C ATOM 335 CG1 ILE A 20 5.849 -3.089 4.041 1.00 0.00 C ATOM 336 CG2 ILE A 20 8.211 -2.286 4.447 1.00 0.00 C ATOM 337 CD1 ILE A 20 5.838 -4.339 4.935 1.00 0.00 C ATOM 0 H ILE A 20 4.436 -1.159 5.146 1.00 0.00 H new ATOM 0 HA ILE A 20 6.536 -2.272 6.646 1.00 0.00 H new ATOM 0 HB ILE A 20 6.530 -1.063 3.883 1.00 0.00 H new ATOM 0 HG12 ILE A 20 4.824 -2.735 3.931 1.00 0.00 H new ATOM 0 HG13 ILE A 20 6.194 -3.378 3.049 1.00 0.00 H new ATOM 0 HG21 ILE A 20 8.444 -2.609 3.432 1.00 0.00 H new ATOM 0 HG22 ILE A 20 8.820 -1.418 4.700 1.00 0.00 H new ATOM 0 HG23 ILE A 20 8.427 -3.096 5.144 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.195 -5.099 4.490 1.00 0.00 H new ATOM 0 HD12 ILE A 20 6.851 -4.730 5.027 1.00 0.00 H new ATOM 0 HD13 ILE A 20 5.460 -4.076 5.923 1.00 0.00 H new ATOM 349 N THR A 21 6.889 0.970 6.000 1.00 0.00 N ATOM 350 CA THR A 21 7.619 2.188 6.404 1.00 0.00 C ATOM 351 C THR A 21 7.662 2.345 7.929 1.00 0.00 C ATOM 352 O THR A 21 8.686 2.744 8.486 1.00 0.00 O ATOM 353 CB THR A 21 7.046 3.475 5.771 1.00 0.00 C ATOM 354 OG1 THR A 21 6.374 3.225 4.559 1.00 0.00 O ATOM 355 CG2 THR A 21 8.166 4.453 5.418 1.00 0.00 C ATOM 0 H THR A 21 6.111 1.156 5.367 1.00 0.00 H new ATOM 0 HA THR A 21 8.633 2.054 6.028 1.00 0.00 H new ATOM 0 HB THR A 21 6.361 3.880 6.516 1.00 0.00 H new ATOM 0 HG1 THR A 21 7.010 3.279 3.815 1.00 0.00 H new ATOM 0 HG21 THR A 21 7.738 5.352 4.974 1.00 0.00 H new ATOM 0 HG22 THR A 21 8.714 4.721 6.322 1.00 0.00 H new ATOM 0 HG23 THR A 21 8.847 3.985 4.706 1.00 0.00 H new ATOM 363 N ASN A 22 6.567 2.000 8.619 1.00 0.00 N ATOM 364 CA ASN A 22 6.488 1.993 10.081 1.00 0.00 C ATOM 365 C ASN A 22 7.226 0.775 10.680 1.00 0.00 C ATOM 366 O ASN A 22 7.995 0.924 11.632 1.00 0.00 O ATOM 367 CB ASN A 22 5.008 2.026 10.496 1.00 0.00 C ATOM 368 CG ASN A 22 4.855 2.052 12.010 1.00 0.00 C ATOM 369 OD1 ASN A 22 5.134 3.044 12.669 1.00 0.00 O ATOM 370 ND2 ASN A 22 4.417 0.969 12.613 1.00 0.00 N ATOM 0 H ASN A 22 5.698 1.714 8.167 1.00 0.00 H new ATOM 0 HA ASN A 22 6.988 2.877 10.476 1.00 0.00 H new ATOM 0 HB2 ASN A 22 4.528 2.905 10.065 1.00 0.00 H new ATOM 0 HB3 ASN A 22 4.496 1.153 10.092 1.00 0.00 H new ATOM 0 HD21 ASN A 22 4.311 0.958 13.627 1.00 0.00 H new ATOM 0 HD22 ASN A 22 4.183 0.140 12.066 1.00 0.00 H new ATOM 377 N TRP A 23 7.021 -0.426 10.122 1.00 0.00 N ATOM 378 CA TRP A 23 7.624 -1.686 10.588 1.00 0.00 C ATOM 379 C TRP A 23 9.162 -1.677 10.576 1.00 0.00 C ATOM 380 O TRP A 23 9.782 -2.341 11.406 1.00 0.00 O ATOM 381 CB TRP A 23 7.081 -2.855 9.754 1.00 0.00 C ATOM 382 CG TRP A 23 7.327 -4.240 10.282 1.00 0.00 C ATOM 383 CD1 TRP A 23 7.112 -4.647 11.555 1.00 0.00 C ATOM 384 CD2 TRP A 23 7.779 -5.429 9.557 1.00 0.00 C ATOM 385 NE1 TRP A 23 7.374 -6.000 11.664 1.00 0.00 N ATOM 386 CE2 TRP A 23 7.765 -6.538 10.458 1.00 0.00 C ATOM 387 CE3 TRP A 23 8.186 -5.693 8.229 1.00 0.00 C ATOM 388 CZ2 TRP A 23 8.106 -7.839 10.061 1.00 0.00 C ATOM 389 CZ3 TRP A 23 8.554 -6.992 7.825 1.00 0.00 C ATOM 390 CH2 TRP A 23 8.510 -8.064 8.734 1.00 0.00 C ATOM 0 H TRP A 23 6.415 -0.553 9.312 1.00 0.00 H new ATOM 0 HA TRP A 23 7.339 -1.807 11.633 1.00 0.00 H new ATOM 0 HB2 TRP A 23 6.005 -2.721 9.642 1.00 0.00 H new ATOM 0 HB3 TRP A 23 7.515 -2.790 8.756 1.00 0.00 H new ATOM 0 HD1 TRP A 23 6.785 -4.010 12.364 1.00 0.00 H new ATOM 0 HE1 TRP A 23 7.288 -6.533 12.529 1.00 0.00 H new ATOM 0 HE3 TRP A 23 8.215 -4.886 7.512 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 8.059 -8.657 10.765 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 8.873 -7.166 6.808 1.00 0.00 H new ATOM 0 HH2 TRP A 23 8.786 -9.058 8.413 1.00 0.00 H new ATOM 401 N LEU A 24 9.786 -0.873 9.707 1.00 0.00 N ATOM 402 CA LEU A 24 11.241 -0.671 9.641 1.00 0.00 C ATOM 403 C LEU A 24 11.855 -0.329 11.017 1.00 0.00 C ATOM 404 O LEU A 24 12.892 -0.883 11.388 1.00 0.00 O ATOM 405 CB LEU A 24 11.560 0.423 8.592 1.00 0.00 C ATOM 406 CG LEU A 24 12.392 -0.025 7.377 1.00 0.00 C ATOM 407 CD1 LEU A 24 13.761 -0.584 7.774 1.00 0.00 C ATOM 408 CD2 LEU A 24 11.652 -1.047 6.512 1.00 0.00 C ATOM 0 H LEU A 24 9.279 -0.328 9.009 1.00 0.00 H new ATOM 0 HA LEU A 24 11.700 -1.611 9.334 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.618 0.836 8.230 1.00 0.00 H new ATOM 0 HB3 LEU A 24 12.091 1.233 9.092 1.00 0.00 H new ATOM 0 HG LEU A 24 12.550 0.879 6.789 1.00 0.00 H new ATOM 0 HD11 LEU A 24 14.305 -0.884 6.878 1.00 0.00 H new ATOM 0 HD12 LEU A 24 14.328 0.183 8.303 1.00 0.00 H new ATOM 0 HD13 LEU A 24 13.626 -1.449 8.424 1.00 0.00 H new ATOM 0 HD21 LEU A 24 12.280 -1.332 5.668 1.00 0.00 H new ATOM 0 HD22 LEU A 24 11.423 -1.930 7.108 1.00 0.00 H new ATOM 0 HD23 LEU A 24 10.725 -0.608 6.143 1.00 0.00 H new ATOM 420 N TRP A 25 11.193 0.535 11.797 1.00 0.00 N ATOM 421 CA TRP A 25 11.586 0.884 13.172 1.00 0.00 C ATOM 422 C TRP A 25 11.516 -0.306 14.142 1.00 0.00 C ATOM 423 O TRP A 25 12.336 -0.406 15.056 1.00 0.00 O ATOM 424 CB TRP A 25 10.693 2.018 13.698 1.00 0.00 C ATOM 425 CG TRP A 25 11.093 3.400 13.286 1.00 0.00 C ATOM 426 CD1 TRP A 25 10.722 4.038 12.153 1.00 0.00 C ATOM 427 CD2 TRP A 25 11.938 4.338 14.022 1.00 0.00 C ATOM 428 NE1 TRP A 25 11.278 5.307 12.138 1.00 0.00 N ATOM 429 CE2 TRP A 25 12.032 5.545 13.270 1.00 0.00 C ATOM 430 CE3 TRP A 25 12.627 4.289 15.255 1.00 0.00 C ATOM 431 CZ2 TRP A 25 12.770 6.653 13.719 1.00 0.00 C ATOM 432 CZ3 TRP A 25 13.370 5.394 15.715 1.00 0.00 C ATOM 433 CH2 TRP A 25 13.442 6.574 14.952 1.00 0.00 C ATOM 0 H TRP A 25 10.352 1.022 11.486 1.00 0.00 H new ATOM 0 HA TRP A 25 12.627 1.202 13.126 1.00 0.00 H new ATOM 0 HB2 TRP A 25 9.672 1.839 13.360 1.00 0.00 H new ATOM 0 HB3 TRP A 25 10.681 1.972 14.787 1.00 0.00 H new ATOM 0 HD1 TRP A 25 10.091 3.623 11.381 1.00 0.00 H new ATOM 0 HE1 TRP A 25 11.147 5.982 11.384 1.00 0.00 H new ATOM 0 HE3 TRP A 25 12.583 3.391 15.853 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 12.821 7.554 13.125 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 13.888 5.335 16.661 1.00 0.00 H new ATOM 0 HH2 TRP A 25 14.012 7.417 15.312 1.00 0.00 H new ATOM 444 N TYR A 26 10.549 -1.210 13.954 1.00 0.00 N ATOM 445 CA TYR A 26 10.384 -2.430 14.748 1.00 0.00 C ATOM 446 C TYR A 26 11.495 -3.460 14.473 1.00 0.00 C ATOM 447 O TYR A 26 11.985 -4.109 15.401 1.00 0.00 O ATOM 448 CB TYR A 26 8.990 -3.020 14.482 1.00 0.00 C ATOM 449 CG TYR A 26 8.377 -3.671 15.704 1.00 0.00 C ATOM 450 CD1 TYR A 26 7.807 -2.855 16.701 1.00 0.00 C ATOM 451 CD2 TYR A 26 8.386 -5.071 15.858 1.00 0.00 C ATOM 452 CE1 TYR A 26 7.243 -3.434 17.854 1.00 0.00 C ATOM 453 CE2 TYR A 26 7.819 -5.653 17.009 1.00 0.00 C ATOM 454 CZ TYR A 26 7.246 -4.838 18.009 1.00 0.00 C ATOM 455 OH TYR A 26 6.703 -5.410 19.120 1.00 0.00 O ATOM 0 H TYR A 26 9.841 -1.110 13.226 1.00 0.00 H new ATOM 0 HA TYR A 26 10.470 -2.170 15.803 1.00 0.00 H new ATOM 0 HB2 TYR A 26 8.329 -2.229 14.129 1.00 0.00 H new ATOM 0 HB3 TYR A 26 9.061 -3.757 13.682 1.00 0.00 H new ATOM 0 HD1 TYR A 26 7.803 -1.782 16.581 1.00 0.00 H new ATOM 0 HD2 TYR A 26 8.826 -5.697 15.096 1.00 0.00 H new ATOM 0 HE1 TYR A 26 6.809 -2.806 18.618 1.00 0.00 H new ATOM 0 HE2 TYR A 26 7.823 -6.727 17.127 1.00 0.00 H new ATOM 0 HH TYR A 26 6.790 -6.384 19.062 1.00 0.00 H new ATOM 465 N ILE A 27 11.919 -3.594 13.207 1.00 0.00 N ATOM 466 CA ILE A 27 13.040 -4.454 12.786 1.00 0.00 C ATOM 467 C ILE A 27 14.377 -3.929 13.340 1.00 0.00 C ATOM 468 O ILE A 27 15.141 -4.694 13.936 1.00 0.00 O ATOM 469 CB ILE A 27 13.090 -4.571 11.244 1.00 0.00 C ATOM 470 CG1 ILE A 27 11.800 -5.164 10.639 1.00 0.00 C ATOM 471 CG2 ILE A 27 14.305 -5.394 10.772 1.00 0.00 C ATOM 472 CD1 ILE A 27 11.328 -6.484 11.262 1.00 0.00 C ATOM 0 H ILE A 27 11.484 -3.098 12.429 1.00 0.00 H new ATOM 0 HA ILE A 27 12.875 -5.450 13.198 1.00 0.00 H new ATOM 0 HB ILE A 27 13.187 -3.548 10.882 1.00 0.00 H new ATOM 0 HG12 ILE A 27 11.001 -4.429 10.738 1.00 0.00 H new ATOM 0 HG13 ILE A 27 11.958 -5.321 9.572 1.00 0.00 H new ATOM 0 HG21 ILE A 27 14.304 -5.453 9.684 1.00 0.00 H new ATOM 0 HG22 ILE A 27 15.223 -4.913 11.109 1.00 0.00 H new ATOM 0 HG23 ILE A 27 14.248 -6.399 11.190 1.00 0.00 H new ATOM 0 HD11 ILE A 27 10.415 -6.815 10.766 1.00 0.00 H new ATOM 0 HD12 ILE A 27 12.102 -7.241 11.140 1.00 0.00 H new ATOM 0 HD13 ILE A 27 11.130 -6.335 12.324 1.00 0.00 H new ATOM 484 N LYS A 28 14.629 -2.624 13.159 1.00 0.00 N ATOM 485 CA LYS A 28 15.845 -1.870 13.532 1.00 0.00 C ATOM 486 C LYS A 28 17.142 -2.491 12.969 1.00 0.00 C ATOM 487 O LYS A 28 17.382 -2.302 11.755 1.00 0.00 O ATOM 488 CB LYS A 28 15.840 -1.574 15.056 1.00 0.00 C ATOM 489 CG LYS A 28 16.306 -0.150 15.406 1.00 0.00 C ATOM 490 CD LYS A 28 17.819 0.112 15.290 1.00 0.00 C ATOM 491 CE LYS A 28 18.535 -0.102 16.631 1.00 0.00 C ATOM 492 NZ LYS A 28 19.976 0.255 16.545 1.00 0.00 N ATOM 493 OXT LYS A 28 17.923 -3.134 13.709 1.00 0.00 O ATOM 0 H LYS A 28 13.939 -2.018 12.715 1.00 0.00 H new ATOM 0 HA LYS A 28 15.826 -0.897 13.040 1.00 0.00 H new ATOM 0 HB2 LYS A 28 14.832 -1.724 15.444 1.00 0.00 H new ATOM 0 HB3 LYS A 28 16.486 -2.293 15.560 1.00 0.00 H new ATOM 0 HG2 LYS A 28 15.785 0.552 14.755 1.00 0.00 H new ATOM 0 HG3 LYS A 28 15.996 0.072 16.427 1.00 0.00 H new ATOM 0 HD2 LYS A 28 18.247 -0.552 14.539 1.00 0.00 H new ATOM 0 HD3 LYS A 28 17.987 1.133 14.946 1.00 0.00 H new ATOM 0 HE2 LYS A 28 18.055 0.502 17.401 1.00 0.00 H new ATOM 0 HE3 LYS A 28 18.435 -1.144 16.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 20.428 0.098 17.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 20.439 -0.339 15.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 20.070 1.256 16.279 1.00 0.00 H new TER 507 LYS A 28