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=-0.00156 X(o=-0.0016,f=-0.27) 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=-0.44) 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 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 21 THR OG1 : rot -49:sc= 0.0918 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 -10.364 -8.717 -9.834 1.00 0.00 N ATOM 2 CA ASN A 1 -9.463 -8.882 -11.005 1.00 0.00 C ATOM 3 C ASN A 1 -10.012 -8.107 -12.214 1.00 0.00 C ATOM 4 O ASN A 1 -10.506 -8.705 -13.170 1.00 0.00 O ATOM 5 CB ASN A 1 -9.240 -10.388 -11.305 1.00 0.00 C ATOM 6 CG ASN A 1 -8.228 -10.630 -12.426 1.00 0.00 C ATOM 7 OD1 ASN A 1 -7.198 -9.973 -12.512 1.00 0.00 O ATOM 8 ND2 ASN A 1 -8.467 -11.582 -13.309 1.00 0.00 N ATOM 0 H1 ASN A 1 -9.981 -9.246 -9.024 1.00 0.00 H new ATOM 0 H2 ASN A 1 -10.433 -7.709 -9.588 1.00 0.00 H new ATOM 0 H3 ASN A 1 -11.309 -9.081 -10.069 1.00 0.00 H new ATOM 0 HA ASN A 1 -8.485 -8.458 -10.776 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -8.896 -10.886 -10.399 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -10.192 -10.843 -11.578 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -7.796 -11.765 -14.055 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -9.322 -12.134 -13.245 1.00 0.00 H new ATOM 17 N GLU A 2 -9.983 -6.765 -12.175 1.00 0.00 N ATOM 18 CA GLU A 2 -10.534 -5.908 -13.245 1.00 0.00 C ATOM 19 C GLU A 2 -9.935 -4.486 -13.246 1.00 0.00 C ATOM 20 O GLU A 2 -9.408 -4.018 -12.233 1.00 0.00 O ATOM 21 CB GLU A 2 -12.073 -5.855 -13.100 1.00 0.00 C ATOM 22 CG GLU A 2 -12.792 -5.691 -14.448 1.00 0.00 C ATOM 23 CD GLU A 2 -14.264 -6.147 -14.366 1.00 0.00 C ATOM 24 OE1 GLU A 2 -14.523 -7.372 -14.274 1.00 0.00 O ATOM 25 OE2 GLU A 2 -15.178 -5.287 -14.417 1.00 0.00 O ATOM 0 H GLU A 2 -9.577 -6.240 -11.401 1.00 0.00 H new ATOM 0 HA GLU A 2 -10.260 -6.349 -14.203 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -12.420 -6.769 -12.617 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -12.344 -5.026 -12.446 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -12.751 -4.647 -14.758 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -12.273 -6.271 -15.211 1.00 0.00 H new ATOM 32 N GLN A 3 -10.061 -3.770 -14.369 1.00 0.00 N ATOM 33 CA GLN A 3 -9.549 -2.402 -14.566 1.00 0.00 C ATOM 34 C GLN A 3 -10.178 -1.382 -13.597 1.00 0.00 C ATOM 35 O GLN A 3 -9.510 -0.458 -13.133 1.00 0.00 O ATOM 36 CB GLN A 3 -9.815 -1.957 -16.016 1.00 0.00 C ATOM 37 CG GLN A 3 -9.164 -2.866 -17.078 1.00 0.00 C ATOM 38 CD GLN A 3 -9.483 -2.444 -18.516 1.00 0.00 C ATOM 39 OE1 GLN A 3 -10.396 -1.680 -18.806 1.00 0.00 O ATOM 40 NE2 GLN A 3 -8.752 -2.946 -19.489 1.00 0.00 N ATOM 0 H GLN A 3 -10.537 -4.135 -15.194 1.00 0.00 H new ATOM 0 HA GLN A 3 -8.479 -2.428 -14.359 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -10.891 -1.930 -16.186 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -9.446 -0.940 -16.147 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -8.083 -2.861 -16.937 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -9.501 -3.891 -16.924 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -7.986 -3.584 -19.274 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -8.952 -2.697 -20.458 1.00 0.00 H new ATOM 49 N GLU A 4 -11.456 -1.572 -13.256 1.00 0.00 N ATOM 50 CA GLU A 4 -12.205 -0.752 -12.289 1.00 0.00 C ATOM 51 C GLU A 4 -11.618 -0.839 -10.869 1.00 0.00 C ATOM 52 O GLU A 4 -11.610 0.153 -10.138 1.00 0.00 O ATOM 53 CB GLU A 4 -13.675 -1.210 -12.265 1.00 0.00 C ATOM 54 CG GLU A 4 -14.447 -0.947 -13.570 1.00 0.00 C ATOM 55 CD GLU A 4 -15.031 0.480 -13.648 1.00 0.00 C ATOM 56 OE1 GLU A 4 -14.278 1.472 -13.486 1.00 0.00 O ATOM 57 OE2 GLU A 4 -16.255 0.624 -13.889 1.00 0.00 O ATOM 0 H GLU A 4 -12.019 -2.323 -13.656 1.00 0.00 H new ATOM 0 HA GLU A 4 -12.131 0.287 -12.610 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -13.706 -2.278 -12.048 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -14.187 -0.704 -11.447 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -13.782 -1.108 -14.418 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -15.257 -1.671 -13.659 1.00 0.00 H new ATOM 64 N LEU A 5 -11.096 -2.010 -10.479 1.00 0.00 N ATOM 65 CA LEU A 5 -10.410 -2.210 -9.199 1.00 0.00 C ATOM 66 C LEU A 5 -9.022 -1.551 -9.201 1.00 0.00 C ATOM 67 O LEU A 5 -8.605 -0.981 -8.193 1.00 0.00 O ATOM 68 CB LEU A 5 -10.291 -3.719 -8.911 1.00 0.00 C ATOM 69 CG LEU A 5 -10.050 -4.015 -7.417 1.00 0.00 C ATOM 70 CD1 LEU A 5 -11.368 -3.996 -6.637 1.00 0.00 C ATOM 71 CD2 LEU A 5 -9.412 -5.392 -7.241 1.00 0.00 C ATOM 0 H LEU A 5 -11.140 -2.853 -11.051 1.00 0.00 H new ATOM 0 HA LEU A 5 -10.997 -1.736 -8.412 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -11.202 -4.221 -9.236 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -9.472 -4.135 -9.498 1.00 0.00 H new ATOM 0 HG LEU A 5 -9.385 -3.241 -7.035 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -11.172 -4.207 -5.586 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -11.831 -3.014 -6.729 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -12.040 -4.753 -7.040 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -9.249 -5.585 -6.181 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -10.074 -6.155 -7.651 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -8.457 -5.420 -7.766 1.00 0.00 H new ATOM 83 N LEU A 6 -8.319 -1.604 -10.341 1.00 0.00 N ATOM 84 CA LEU A 6 -6.962 -1.074 -10.522 1.00 0.00 C ATOM 85 C LEU A 6 -6.846 0.425 -10.175 1.00 0.00 C ATOM 86 O LEU A 6 -5.814 0.869 -9.675 1.00 0.00 O ATOM 87 CB LEU A 6 -6.498 -1.350 -11.968 1.00 0.00 C ATOM 88 CG LEU A 6 -4.985 -1.619 -12.064 1.00 0.00 C ATOM 89 CD1 LEU A 6 -4.663 -3.065 -11.676 1.00 0.00 C ATOM 90 CD2 LEU A 6 -4.485 -1.391 -13.490 1.00 0.00 C ATOM 0 H LEU A 6 -8.692 -2.031 -11.189 1.00 0.00 H new ATOM 0 HA LEU A 6 -6.307 -1.589 -9.819 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -7.042 -2.209 -12.362 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -6.752 -0.496 -12.596 1.00 0.00 H new ATOM 0 HG LEU A 6 -4.491 -0.930 -11.379 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -3.588 -3.231 -11.751 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.987 -3.248 -10.652 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -5.184 -3.747 -12.348 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.414 -1.587 -13.536 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -5.006 -2.065 -14.170 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -4.678 -0.359 -13.783 1.00 0.00 H new ATOM 102 N GLU A 7 -7.918 1.193 -10.392 1.00 0.00 N ATOM 103 CA GLU A 7 -8.031 2.613 -10.027 1.00 0.00 C ATOM 104 C GLU A 7 -7.816 2.845 -8.520 1.00 0.00 C ATOM 105 O GLU A 7 -7.071 3.746 -8.126 1.00 0.00 O ATOM 106 CB GLU A 7 -9.420 3.137 -10.431 1.00 0.00 C ATOM 107 CG GLU A 7 -9.652 3.178 -11.953 1.00 0.00 C ATOM 108 CD GLU A 7 -9.730 4.624 -12.482 1.00 0.00 C ATOM 109 OE1 GLU A 7 -8.701 5.342 -12.455 1.00 0.00 O ATOM 110 OE2 GLU A 7 -10.819 5.055 -12.936 1.00 0.00 O ATOM 0 H GLU A 7 -8.760 0.834 -10.841 1.00 0.00 H new ATOM 0 HA GLU A 7 -7.249 3.154 -10.560 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -10.183 2.507 -9.974 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -9.551 4.140 -10.026 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -8.844 2.649 -12.458 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -10.576 2.653 -12.194 1.00 0.00 H new ATOM 117 N LEU A 8 -8.451 2.022 -7.673 1.00 0.00 N ATOM 118 CA LEU A 8 -8.293 2.058 -6.215 1.00 0.00 C ATOM 119 C LEU A 8 -7.040 1.308 -5.735 1.00 0.00 C ATOM 120 O LEU A 8 -6.460 1.680 -4.717 1.00 0.00 O ATOM 121 CB LEU A 8 -9.559 1.487 -5.539 1.00 0.00 C ATOM 122 CG LEU A 8 -10.078 2.415 -4.424 1.00 0.00 C ATOM 123 CD1 LEU A 8 -10.841 3.604 -5.018 1.00 0.00 C ATOM 124 CD2 LEU A 8 -11.021 1.665 -3.485 1.00 0.00 C ATOM 0 H LEU A 8 -9.100 1.301 -7.989 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.160 3.101 -5.927 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -10.339 1.346 -6.287 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -9.337 0.505 -5.121 1.00 0.00 H new ATOM 0 HG LEU A 8 -9.209 2.769 -3.870 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -11.198 4.246 -4.213 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -10.178 4.174 -5.669 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -11.691 3.239 -5.595 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -11.374 2.342 -2.707 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -11.873 1.287 -4.050 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -10.490 0.830 -3.027 1.00 0.00 H new ATOM 136 N ASP A 9 -6.599 0.278 -6.465 1.00 0.00 N ATOM 137 CA ASP A 9 -5.426 -0.546 -6.140 1.00 0.00 C ATOM 138 C ASP A 9 -4.145 0.290 -5.975 1.00 0.00 C ATOM 139 O ASP A 9 -3.377 0.059 -5.043 1.00 0.00 O ATOM 140 CB ASP A 9 -5.249 -1.625 -7.215 1.00 0.00 C ATOM 141 CG ASP A 9 -4.187 -2.666 -6.829 1.00 0.00 C ATOM 142 OD1 ASP A 9 -4.408 -3.425 -5.853 1.00 0.00 O ATOM 143 OD2 ASP A 9 -3.150 -2.750 -7.530 1.00 0.00 O ATOM 0 H ASP A 9 -7.062 -0.016 -7.325 1.00 0.00 H new ATOM 0 HA ASP A 9 -5.604 -1.020 -5.175 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -6.202 -2.127 -7.383 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -4.967 -1.154 -8.156 1.00 0.00 H new ATOM 148 N LYS A 10 -3.938 1.304 -6.831 1.00 0.00 N ATOM 149 CA LYS A 10 -2.818 2.265 -6.747 1.00 0.00 C ATOM 150 C LYS A 10 -2.771 2.964 -5.378 1.00 0.00 C ATOM 151 O LYS A 10 -1.727 2.979 -4.721 1.00 0.00 O ATOM 152 CB LYS A 10 -2.932 3.293 -7.894 1.00 0.00 C ATOM 153 CG LYS A 10 -2.051 3.012 -9.124 1.00 0.00 C ATOM 154 CD LYS A 10 -2.298 1.679 -9.853 1.00 0.00 C ATOM 155 CE LYS A 10 -1.286 0.602 -9.438 1.00 0.00 C ATOM 156 NZ LYS A 10 -1.431 -0.635 -10.251 1.00 0.00 N ATOM 0 H LYS A 10 -4.558 1.485 -7.621 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.882 1.716 -6.853 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.972 3.338 -8.216 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.677 4.278 -7.503 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.193 3.823 -9.838 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.007 3.042 -8.811 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.308 1.330 -9.638 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.238 1.838 -10.930 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -0.274 0.992 -9.548 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.423 0.362 -8.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.730 -1.338 -9.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.388 -1.022 -10.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.276 -0.411 -11.255 1.00 0.00 H new ATOM 170 N TRP A 11 -3.903 3.514 -4.930 1.00 0.00 N ATOM 171 CA TRP A 11 -4.058 4.127 -3.605 1.00 0.00 C ATOM 172 C TRP A 11 -3.911 3.117 -2.459 1.00 0.00 C ATOM 173 O TRP A 11 -3.207 3.398 -1.489 1.00 0.00 O ATOM 174 CB TRP A 11 -5.401 4.864 -3.516 1.00 0.00 C ATOM 175 CG TRP A 11 -5.353 6.278 -4.006 1.00 0.00 C ATOM 176 CD1 TRP A 11 -5.758 6.720 -5.219 1.00 0.00 C ATOM 177 CD2 TRP A 11 -4.854 7.451 -3.292 1.00 0.00 C ATOM 178 NE1 TRP A 11 -5.550 8.086 -5.302 1.00 0.00 N ATOM 179 CE2 TRP A 11 -4.995 8.589 -4.142 1.00 0.00 C ATOM 180 CE3 TRP A 11 -4.296 7.667 -2.013 1.00 0.00 C ATOM 181 CZ2 TRP A 11 -4.607 9.877 -3.741 1.00 0.00 C ATOM 182 CZ3 TRP A 11 -3.901 8.956 -1.600 1.00 0.00 C ATOM 183 CH2 TRP A 11 -4.057 10.058 -2.459 1.00 0.00 C ATOM 0 H TRP A 11 -4.756 3.547 -5.489 1.00 0.00 H new ATOM 0 HA TRP A 11 -3.246 4.845 -3.487 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -6.144 4.315 -4.094 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -5.738 4.861 -2.479 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -6.178 6.104 -6.000 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -5.779 8.651 -6.120 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -4.170 6.832 -1.340 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -4.729 10.718 -4.408 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -3.476 9.098 -0.617 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -3.755 11.043 -2.135 1.00 0.00 H new ATOM 194 N ALA A 12 -4.532 1.937 -2.565 1.00 0.00 N ATOM 195 CA ALA A 12 -4.430 0.875 -1.561 1.00 0.00 C ATOM 196 C ALA A 12 -2.972 0.415 -1.347 1.00 0.00 C ATOM 197 O ALA A 12 -2.540 0.247 -0.205 1.00 0.00 O ATOM 198 CB ALA A 12 -5.352 -0.284 -1.958 1.00 0.00 C ATOM 0 H ALA A 12 -5.125 1.691 -3.358 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.757 1.268 -0.598 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.280 -1.077 -1.214 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -6.381 0.071 -2.011 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -5.051 -0.671 -2.932 1.00 0.00 H new ATOM 204 N SER A 13 -2.198 0.268 -2.430 1.00 0.00 N ATOM 205 CA SER A 13 -0.765 -0.060 -2.397 1.00 0.00 C ATOM 206 C SER A 13 0.026 0.985 -1.608 1.00 0.00 C ATOM 207 O SER A 13 0.772 0.619 -0.703 1.00 0.00 O ATOM 208 CB SER A 13 -0.192 -0.180 -3.815 1.00 0.00 C ATOM 209 OG SER A 13 -0.568 -1.420 -4.392 1.00 0.00 O ATOM 0 H SER A 13 -2.559 0.376 -3.378 1.00 0.00 H new ATOM 0 HA SER A 13 -0.667 -1.023 -1.896 1.00 0.00 H new ATOM 0 HB2 SER A 13 -0.555 0.642 -4.432 1.00 0.00 H new ATOM 0 HB3 SER A 13 0.895 -0.100 -3.784 1.00 0.00 H new ATOM 0 HG SER A 13 -0.198 -1.485 -5.297 1.00 0.00 H new ATOM 215 N LEU A 14 -0.159 2.279 -1.898 1.00 0.00 N ATOM 216 CA LEU A 14 0.459 3.381 -1.145 1.00 0.00 C ATOM 217 C LEU A 14 0.063 3.372 0.341 1.00 0.00 C ATOM 218 O LEU A 14 0.931 3.496 1.206 1.00 0.00 O ATOM 219 CB LEU A 14 0.104 4.725 -1.814 1.00 0.00 C ATOM 220 CG LEU A 14 1.128 5.126 -2.891 1.00 0.00 C ATOM 221 CD1 LEU A 14 0.513 6.106 -3.889 1.00 0.00 C ATOM 222 CD2 LEU A 14 2.350 5.797 -2.256 1.00 0.00 C ATOM 0 H LEU A 14 -0.747 2.595 -2.669 1.00 0.00 H new ATOM 0 HA LEU A 14 1.540 3.243 -1.170 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.886 4.654 -2.265 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.054 5.505 -1.054 1.00 0.00 H new ATOM 0 HG LEU A 14 1.429 4.213 -3.405 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.256 6.375 -4.640 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.343 5.640 -4.376 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.187 7.004 -3.364 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.060 6.072 -3.036 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.036 6.692 -1.719 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.825 5.105 -1.560 1.00 0.00 H new ATOM 234 N TRP A 15 -1.226 3.195 0.650 1.00 0.00 N ATOM 235 CA TRP A 15 -1.729 3.159 2.029 1.00 0.00 C ATOM 236 C TRP A 15 -1.135 1.998 2.844 1.00 0.00 C ATOM 237 O TRP A 15 -0.729 2.186 3.991 1.00 0.00 O ATOM 238 CB TRP A 15 -3.263 3.128 2.035 1.00 0.00 C ATOM 239 CG TRP A 15 -3.864 3.714 3.275 1.00 0.00 C ATOM 240 CD1 TRP A 15 -4.277 3.029 4.366 1.00 0.00 C ATOM 241 CD2 TRP A 15 -4.081 5.126 3.578 1.00 0.00 C ATOM 242 NE1 TRP A 15 -4.739 3.920 5.320 1.00 0.00 N ATOM 243 CE2 TRP A 15 -4.637 5.226 4.889 1.00 0.00 C ATOM 244 CE3 TRP A 15 -3.854 6.334 2.880 1.00 0.00 C ATOM 245 CZ2 TRP A 15 -4.952 6.461 5.477 1.00 0.00 C ATOM 246 CZ3 TRP A 15 -4.169 7.578 3.460 1.00 0.00 C ATOM 247 CH2 TRP A 15 -4.716 7.644 4.755 1.00 0.00 C ATOM 0 H TRP A 15 -1.955 3.072 -0.053 1.00 0.00 H new ATOM 0 HA TRP A 15 -1.399 4.073 2.523 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -3.634 3.674 1.167 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -3.599 2.096 1.930 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -4.251 1.955 4.476 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -5.109 3.644 6.230 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -3.432 6.302 1.886 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -5.370 6.502 6.472 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -3.989 8.488 2.907 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -4.954 8.602 5.193 1.00 0.00 H new ATOM 258 N ASN A 16 -1.039 0.801 2.254 1.00 0.00 N ATOM 259 CA ASN A 16 -0.397 -0.360 2.876 1.00 0.00 C ATOM 260 C ASN A 16 1.125 -0.150 3.011 1.00 0.00 C ATOM 261 O ASN A 16 1.689 -0.383 4.080 1.00 0.00 O ATOM 262 CB ASN A 16 -0.740 -1.618 2.059 1.00 0.00 C ATOM 263 CG ASN A 16 -0.034 -2.860 2.581 1.00 0.00 C ATOM 264 OD1 ASN A 16 0.829 -3.431 1.932 1.00 0.00 O ATOM 265 ND2 ASN A 16 -0.362 -3.315 3.771 1.00 0.00 N ATOM 0 H ASN A 16 -1.409 0.610 1.323 1.00 0.00 H new ATOM 0 HA ASN A 16 -0.777 -0.490 3.889 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -1.818 -1.780 2.082 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -0.464 -1.457 1.017 1.00 0.00 H new ATOM 0 HD21 ASN A 16 0.104 -4.141 4.147 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -1.082 -2.842 4.317 1.00 0.00 H new ATOM 272 N TRP A 17 1.794 0.330 1.956 1.00 0.00 N ATOM 273 CA TRP A 17 3.235 0.609 1.951 1.00 0.00 C ATOM 274 C TRP A 17 3.654 1.652 3.003 1.00 0.00 C ATOM 275 O TRP A 17 4.746 1.549 3.562 1.00 0.00 O ATOM 276 CB TRP A 17 3.687 1.003 0.542 1.00 0.00 C ATOM 277 CG TRP A 17 5.169 1.158 0.380 1.00 0.00 C ATOM 278 CD1 TRP A 17 6.083 0.180 0.578 1.00 0.00 C ATOM 279 CD2 TRP A 17 5.925 2.347 -0.001 1.00 0.00 C ATOM 280 NE1 TRP A 17 7.352 0.685 0.364 1.00 0.00 N ATOM 281 CE2 TRP A 17 7.313 2.015 0.000 1.00 0.00 C ATOM 282 CE3 TRP A 17 5.582 3.671 -0.355 1.00 0.00 C ATOM 283 CZ2 TRP A 17 8.309 2.947 -0.329 1.00 0.00 C ATOM 284 CZ3 TRP A 17 6.572 4.613 -0.693 1.00 0.00 C ATOM 285 CH2 TRP A 17 7.933 4.255 -0.680 1.00 0.00 C ATOM 0 H TRP A 17 1.341 0.539 1.066 1.00 0.00 H new ATOM 0 HA TRP A 17 3.746 -0.310 2.239 1.00 0.00 H new ATOM 0 HB2 TRP A 17 3.335 0.249 -0.162 1.00 0.00 H new ATOM 0 HB3 TRP A 17 3.205 1.942 0.270 1.00 0.00 H new ATOM 0 HD1 TRP A 17 5.856 -0.838 0.860 1.00 0.00 H new ATOM 0 HE1 TRP A 17 8.210 0.142 0.463 1.00 0.00 H new ATOM 0 HE3 TRP A 17 4.543 3.965 -0.366 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 9.351 2.663 -0.313 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 6.285 5.618 -0.964 1.00 0.00 H new ATOM 0 HH2 TRP A 17 8.687 4.984 -0.939 1.00 0.00 H new ATOM 296 N PHE A 18 2.782 2.608 3.347 1.00 0.00 N ATOM 297 CA PHE A 18 3.036 3.587 4.415 1.00 0.00 C ATOM 298 C PHE A 18 3.304 2.906 5.775 1.00 0.00 C ATOM 299 O PHE A 18 4.072 3.421 6.588 1.00 0.00 O ATOM 300 CB PHE A 18 1.866 4.577 4.501 1.00 0.00 C ATOM 301 CG PHE A 18 2.011 5.591 5.621 1.00 0.00 C ATOM 302 CD1 PHE A 18 2.909 6.668 5.487 1.00 0.00 C ATOM 303 CD2 PHE A 18 1.293 5.426 6.822 1.00 0.00 C ATOM 304 CE1 PHE A 18 3.090 7.572 6.550 1.00 0.00 C ATOM 305 CE2 PHE A 18 1.474 6.331 7.884 1.00 0.00 C ATOM 306 CZ PHE A 18 2.375 7.403 7.748 1.00 0.00 C ATOM 0 H PHE A 18 1.877 2.726 2.892 1.00 0.00 H new ATOM 0 HA PHE A 18 3.943 4.137 4.164 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.778 5.106 3.552 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.940 4.021 4.643 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.459 6.800 4.567 1.00 0.00 H new ATOM 0 HD2 PHE A 18 0.602 4.603 6.928 1.00 0.00 H new ATOM 0 HE1 PHE A 18 3.779 8.397 6.445 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.922 6.203 8.803 1.00 0.00 H new ATOM 0 HZ PHE A 18 2.517 8.096 8.564 1.00 0.00 H new ATOM 316 N ASN A 19 2.705 1.736 6.036 1.00 0.00 N ATOM 317 CA ASN A 19 2.980 0.962 7.251 1.00 0.00 C ATOM 318 C ASN A 19 4.331 0.230 7.134 1.00 0.00 C ATOM 319 O ASN A 19 5.074 0.169 8.111 1.00 0.00 O ATOM 320 CB ASN A 19 1.824 -0.014 7.545 1.00 0.00 C ATOM 321 CG ASN A 19 0.674 0.655 8.285 1.00 0.00 C ATOM 322 OD1 ASN A 19 0.151 1.690 7.895 1.00 0.00 O ATOM 323 ND2 ASN A 19 0.238 0.089 9.390 1.00 0.00 N ATOM 0 H ASN A 19 2.021 1.303 5.415 1.00 0.00 H new ATOM 0 HA ASN A 19 3.052 1.648 8.095 1.00 0.00 H new ATOM 0 HB2 ASN A 19 1.456 -0.430 6.607 1.00 0.00 H new ATOM 0 HB3 ASN A 19 2.198 -0.848 8.139 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -0.529 0.513 9.912 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.667 -0.774 9.724 1.00 0.00 H new ATOM 330 N ILE A 20 4.683 -0.284 5.945 1.00 0.00 N ATOM 331 CA ILE A 20 5.948 -0.996 5.670 1.00 0.00 C ATOM 332 C ILE A 20 7.185 -0.137 5.984 1.00 0.00 C ATOM 333 O ILE A 20 8.139 -0.639 6.584 1.00 0.00 O ATOM 334 CB ILE A 20 5.992 -1.536 4.221 1.00 0.00 C ATOM 335 CG1 ILE A 20 4.784 -2.436 3.876 1.00 0.00 C ATOM 336 CG2 ILE A 20 7.302 -2.295 3.932 1.00 0.00 C ATOM 337 CD1 ILE A 20 4.582 -3.669 4.767 1.00 0.00 C ATOM 0 H ILE A 20 4.082 -0.216 5.124 1.00 0.00 H new ATOM 0 HA ILE A 20 5.977 -1.851 6.346 1.00 0.00 H new ATOM 0 HB ILE A 20 5.944 -0.654 3.582 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.880 -1.829 3.921 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.891 -2.772 2.845 1.00 0.00 H new ATOM 0 HG21 ILE A 20 7.293 -2.658 2.904 1.00 0.00 H new ATOM 0 HG22 ILE A 20 8.150 -1.624 4.073 1.00 0.00 H new ATOM 0 HG23 ILE A 20 7.391 -3.140 4.614 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.706 -4.222 4.429 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.461 -4.310 4.706 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.435 -3.352 5.799 1.00 0.00 H new ATOM 349 N THR A 21 7.176 1.157 5.636 1.00 0.00 N ATOM 350 CA THR A 21 8.305 2.073 5.912 1.00 0.00 C ATOM 351 C THR A 21 8.634 2.180 7.408 1.00 0.00 C ATOM 352 O THR A 21 9.808 2.255 7.774 1.00 0.00 O ATOM 353 CB THR A 21 8.084 3.486 5.343 1.00 0.00 C ATOM 354 OG1 THR A 21 6.973 4.102 5.952 1.00 0.00 O ATOM 355 CG2 THR A 21 7.852 3.498 3.832 1.00 0.00 C ATOM 0 H THR A 21 6.393 1.602 5.157 1.00 0.00 H new ATOM 0 HA THR A 21 9.154 1.621 5.399 1.00 0.00 H new ATOM 0 HB THR A 21 9.003 4.031 5.558 1.00 0.00 H new ATOM 0 HG1 THR A 21 6.209 3.488 5.937 1.00 0.00 H new ATOM 0 HG21 THR A 21 7.703 4.524 3.495 1.00 0.00 H new ATOM 0 HG22 THR A 21 8.719 3.072 3.327 1.00 0.00 H new ATOM 0 HG23 THR A 21 6.968 2.906 3.595 1.00 0.00 H new ATOM 363 N ASN A 22 7.622 2.137 8.285 1.00 0.00 N ATOM 364 CA ASN A 22 7.796 2.121 9.741 1.00 0.00 C ATOM 365 C ASN A 22 8.020 0.696 10.292 1.00 0.00 C ATOM 366 O ASN A 22 8.778 0.513 11.243 1.00 0.00 O ATOM 367 CB ASN A 22 6.581 2.804 10.392 1.00 0.00 C ATOM 368 CG ASN A 22 6.862 3.168 11.843 1.00 0.00 C ATOM 369 OD1 ASN A 22 7.595 4.102 12.139 1.00 0.00 O ATOM 370 ND2 ASN A 22 6.296 2.461 12.796 1.00 0.00 N ATOM 0 H ASN A 22 6.644 2.112 7.996 1.00 0.00 H new ATOM 0 HA ASN A 22 8.700 2.675 9.993 1.00 0.00 H new ATOM 0 HB2 ASN A 22 6.324 3.703 9.833 1.00 0.00 H new ATOM 0 HB3 ASN A 22 5.718 2.140 10.342 1.00 0.00 H new ATOM 0 HD21 ASN A 22 6.469 2.693 13.774 1.00 0.00 H new ATOM 0 HD22 ASN A 22 5.684 1.681 12.557 1.00 0.00 H new ATOM 377 N TRP A 23 7.412 -0.327 9.678 1.00 0.00 N ATOM 378 CA TRP A 23 7.583 -1.744 10.031 1.00 0.00 C ATOM 379 C TRP A 23 9.041 -2.215 9.908 1.00 0.00 C ATOM 380 O TRP A 23 9.481 -3.055 10.689 1.00 0.00 O ATOM 381 CB TRP A 23 6.650 -2.605 9.171 1.00 0.00 C ATOM 382 CG TRP A 23 6.531 -4.047 9.557 1.00 0.00 C ATOM 383 CD1 TRP A 23 6.147 -4.505 10.772 1.00 0.00 C ATOM 384 CD2 TRP A 23 6.754 -5.233 8.732 1.00 0.00 C ATOM 385 NE1 TRP A 23 6.103 -5.887 10.753 1.00 0.00 N ATOM 386 CE2 TRP A 23 6.447 -6.388 9.515 1.00 0.00 C ATOM 387 CE3 TRP A 23 7.170 -5.456 7.400 1.00 0.00 C ATOM 388 CZ2 TRP A 23 6.525 -7.690 9.000 1.00 0.00 C ATOM 389 CZ3 TRP A 23 7.271 -6.760 6.877 1.00 0.00 C ATOM 390 CH2 TRP A 23 6.946 -7.876 7.672 1.00 0.00 C ATOM 0 H TRP A 23 6.768 -0.189 8.899 1.00 0.00 H new ATOM 0 HA TRP A 23 7.316 -1.858 11.082 1.00 0.00 H new ATOM 0 HB2 TRP A 23 5.655 -2.161 9.197 1.00 0.00 H new ATOM 0 HB3 TRP A 23 6.994 -2.555 8.138 1.00 0.00 H new ATOM 0 HD1 TRP A 23 5.911 -3.886 11.625 1.00 0.00 H new ATOM 0 HE1 TRP A 23 5.848 -6.464 11.555 1.00 0.00 H new ATOM 0 HE3 TRP A 23 7.415 -4.612 6.772 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 6.265 -8.538 9.616 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 7.600 -6.905 5.859 1.00 0.00 H new ATOM 0 HH2 TRP A 23 7.020 -8.872 7.262 1.00 0.00 H new ATOM 401 N LEU A 24 9.818 -1.631 8.988 1.00 0.00 N ATOM 402 CA LEU A 24 11.257 -1.880 8.804 1.00 0.00 C ATOM 403 C LEU A 24 12.041 -1.739 10.125 1.00 0.00 C ATOM 404 O LEU A 24 12.893 -2.575 10.437 1.00 0.00 O ATOM 405 CB LEU A 24 11.777 -0.915 7.713 1.00 0.00 C ATOM 406 CG LEU A 24 12.032 -1.610 6.361 1.00 0.00 C ATOM 407 CD1 LEU A 24 11.695 -0.686 5.190 1.00 0.00 C ATOM 408 CD2 LEU A 24 13.501 -2.024 6.246 1.00 0.00 C ATOM 0 H LEU A 24 9.451 -0.947 8.326 1.00 0.00 H new ATOM 0 HA LEU A 24 11.412 -2.910 8.483 1.00 0.00 H new ATOM 0 HB2 LEU A 24 11.053 -0.113 7.571 1.00 0.00 H new ATOM 0 HB3 LEU A 24 12.702 -0.452 8.057 1.00 0.00 H new ATOM 0 HG LEU A 24 11.389 -2.489 6.320 1.00 0.00 H new ATOM 0 HD11 LEU A 24 11.885 -1.205 4.251 1.00 0.00 H new ATOM 0 HD12 LEU A 24 10.644 -0.402 5.241 1.00 0.00 H new ATOM 0 HD13 LEU A 24 12.315 0.209 5.242 1.00 0.00 H new ATOM 0 HD21 LEU A 24 13.667 -2.514 5.286 1.00 0.00 H new ATOM 0 HD22 LEU A 24 14.135 -1.140 6.317 1.00 0.00 H new ATOM 0 HD23 LEU A 24 13.749 -2.714 7.053 1.00 0.00 H new ATOM 420 N TRP A 25 11.723 -0.715 10.928 1.00 0.00 N ATOM 421 CA TRP A 25 12.296 -0.496 12.264 1.00 0.00 C ATOM 422 C TRP A 25 11.833 -1.538 13.297 1.00 0.00 C ATOM 423 O TRP A 25 12.566 -1.831 14.240 1.00 0.00 O ATOM 424 CB TRP A 25 11.937 0.911 12.765 1.00 0.00 C ATOM 425 CG TRP A 25 12.889 1.990 12.358 1.00 0.00 C ATOM 426 CD1 TRP A 25 12.710 2.884 11.360 1.00 0.00 C ATOM 427 CD2 TRP A 25 14.177 2.307 12.966 1.00 0.00 C ATOM 428 NE1 TRP A 25 13.798 3.740 11.315 1.00 0.00 N ATOM 429 CE2 TRP A 25 14.728 3.434 12.288 1.00 0.00 C ATOM 430 CE3 TRP A 25 14.930 1.760 14.029 1.00 0.00 C ATOM 431 CZ2 TRP A 25 15.962 3.997 12.651 1.00 0.00 C ATOM 432 CZ3 TRP A 25 16.170 2.315 14.401 1.00 0.00 C ATOM 433 CH2 TRP A 25 16.686 3.431 13.717 1.00 0.00 C ATOM 0 H TRP A 25 11.046 -0.000 10.662 1.00 0.00 H new ATOM 0 HA TRP A 25 13.376 -0.601 12.160 1.00 0.00 H new ATOM 0 HB2 TRP A 25 10.943 1.168 12.399 1.00 0.00 H new ATOM 0 HB3 TRP A 25 11.880 0.889 13.853 1.00 0.00 H new ATOM 0 HD1 TRP A 25 11.854 2.924 10.702 1.00 0.00 H new ATOM 0 HE1 TRP A 25 13.899 4.503 10.645 1.00 0.00 H new ATOM 0 HE3 TRP A 25 14.549 0.903 14.565 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 16.350 4.853 12.119 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 16.729 1.881 15.217 1.00 0.00 H new ATOM 0 HH2 TRP A 25 17.636 3.853 14.010 1.00 0.00 H new ATOM 444 N TYR A 26 10.635 -2.109 13.137 1.00 0.00 N ATOM 445 CA TYR A 26 10.114 -3.186 13.982 1.00 0.00 C ATOM 446 C TYR A 26 10.829 -4.530 13.736 1.00 0.00 C ATOM 447 O TYR A 26 11.031 -5.301 14.677 1.00 0.00 O ATOM 448 CB TYR A 26 8.599 -3.317 13.761 1.00 0.00 C ATOM 449 CG TYR A 26 7.852 -3.691 15.024 1.00 0.00 C ATOM 450 CD1 TYR A 26 7.427 -2.671 15.897 1.00 0.00 C ATOM 451 CD2 TYR A 26 7.611 -5.040 15.344 1.00 0.00 C ATOM 452 CE1 TYR A 26 6.754 -2.995 17.092 1.00 0.00 C ATOM 453 CE2 TYR A 26 6.939 -5.370 16.539 1.00 0.00 C ATOM 454 CZ TYR A 26 6.509 -4.348 17.416 1.00 0.00 C ATOM 455 OH TYR A 26 5.866 -4.676 18.572 1.00 0.00 O ATOM 0 H TYR A 26 9.987 -1.829 12.401 1.00 0.00 H new ATOM 0 HA TYR A 26 10.311 -2.924 15.022 1.00 0.00 H new ATOM 0 HB2 TYR A 26 8.209 -2.373 13.380 1.00 0.00 H new ATOM 0 HB3 TYR A 26 8.412 -4.071 12.997 1.00 0.00 H new ATOM 0 HD1 TYR A 26 7.617 -1.637 15.650 1.00 0.00 H new ATOM 0 HD2 TYR A 26 7.940 -5.822 14.675 1.00 0.00 H new ATOM 0 HE1 TYR A 26 6.426 -2.211 17.758 1.00 0.00 H new ATOM 0 HE2 TYR A 26 6.753 -6.405 16.785 1.00 0.00 H new ATOM 0 HH TYR A 26 5.781 -5.650 18.634 1.00 0.00 H new ATOM 465 N ILE A 27 11.239 -4.811 12.490 1.00 0.00 N ATOM 466 CA ILE A 27 12.000 -6.019 12.117 1.00 0.00 C ATOM 467 C ILE A 27 13.403 -6.034 12.749 1.00 0.00 C ATOM 468 O ILE A 27 13.785 -7.032 13.367 1.00 0.00 O ATOM 469 CB ILE A 27 12.106 -6.154 10.580 1.00 0.00 C ATOM 470 CG1 ILE A 27 10.737 -6.259 9.877 1.00 0.00 C ATOM 471 CG2 ILE A 27 12.977 -7.356 10.159 1.00 0.00 C ATOM 472 CD1 ILE A 27 9.805 -7.362 10.397 1.00 0.00 C ATOM 0 H ILE A 27 11.049 -4.197 11.698 1.00 0.00 H new ATOM 0 HA ILE A 27 11.449 -6.874 12.509 1.00 0.00 H new ATOM 0 HB ILE A 27 12.583 -5.229 10.257 1.00 0.00 H new ATOM 0 HG12 ILE A 27 10.225 -5.301 9.973 1.00 0.00 H new ATOM 0 HG13 ILE A 27 10.907 -6.424 8.813 1.00 0.00 H new ATOM 0 HG21 ILE A 27 13.022 -7.410 9.071 1.00 0.00 H new ATOM 0 HG22 ILE A 27 13.984 -7.233 10.558 1.00 0.00 H new ATOM 0 HG23 ILE A 27 12.542 -8.276 10.550 1.00 0.00 H new ATOM 0 HD11 ILE A 27 8.872 -7.346 9.833 1.00 0.00 H new ATOM 0 HD12 ILE A 27 10.286 -8.332 10.275 1.00 0.00 H new ATOM 0 HD13 ILE A 27 9.594 -7.192 11.453 1.00 0.00 H new ATOM 484 N LYS A 28 14.170 -4.943 12.585 1.00 0.00 N ATOM 485 CA LYS A 28 15.531 -4.770 13.138 1.00 0.00 C ATOM 486 C LYS A 28 15.527 -4.538 14.663 1.00 0.00 C ATOM 487 O LYS A 28 15.842 -5.494 15.409 1.00 0.00 O ATOM 488 CB LYS A 28 16.285 -3.650 12.388 1.00 0.00 C ATOM 489 CG LYS A 28 17.114 -4.143 11.191 1.00 0.00 C ATOM 490 CD LYS A 28 16.285 -4.637 9.998 1.00 0.00 C ATOM 491 CE LYS A 28 17.215 -4.872 8.796 1.00 0.00 C ATOM 492 NZ LYS A 28 16.570 -4.503 7.508 1.00 0.00 N ATOM 493 OXT LYS A 28 15.255 -3.404 15.118 1.00 0.00 O ATOM 0 H LYS A 28 13.855 -4.133 12.050 1.00 0.00 H new ATOM 0 HA LYS A 28 16.067 -5.706 12.979 1.00 0.00 H new ATOM 0 HB2 LYS A 28 15.563 -2.913 12.037 1.00 0.00 H new ATOM 0 HB3 LYS A 28 16.946 -3.140 13.089 1.00 0.00 H new ATOM 0 HG2 LYS A 28 17.761 -3.332 10.856 1.00 0.00 H new ATOM 0 HG3 LYS A 28 17.764 -4.952 11.525 1.00 0.00 H new ATOM 0 HD2 LYS A 28 15.767 -5.560 10.258 1.00 0.00 H new ATOM 0 HD3 LYS A 28 15.520 -3.903 9.743 1.00 0.00 H new ATOM 0 HE2 LYS A 28 18.127 -4.289 8.924 1.00 0.00 H new ATOM 0 HE3 LYS A 28 17.509 -5.921 8.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 17.232 -4.678 6.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 15.714 -5.077 7.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 16.312 -3.496 7.525 1.00 0.00 H new TER 507 LYS A 28