USER MOD reduce.3.24.130724 H: found=0, std=0, add=244, rem=0, adj=4 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= -0.0224 K(o=-0.022,f=-0.72) USER MOD Single : A 1 ASN N :NH3+ -175:sc= 0 (180deg=-0.023) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) 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) USER MOD Single : A 21 THR OG1 : rot 47:sc= 0.634 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 -14.833 -6.209 -15.099 1.00 0.00 N ATOM 2 CA ASN A 1 -14.230 -4.927 -14.645 1.00 0.00 C ATOM 3 C ASN A 1 -13.254 -5.183 -13.492 1.00 0.00 C ATOM 4 O ASN A 1 -13.644 -5.200 -12.326 1.00 0.00 O ATOM 5 CB ASN A 1 -15.300 -3.869 -14.270 1.00 0.00 C ATOM 6 CG ASN A 1 -16.244 -3.535 -15.427 1.00 0.00 C ATOM 7 OD1 ASN A 1 -15.935 -3.742 -16.593 1.00 0.00 O ATOM 8 ND2 ASN A 1 -17.438 -3.048 -15.152 1.00 0.00 N ATOM 0 H1 ASN A 1 -15.428 -6.036 -15.935 1.00 0.00 H new ATOM 0 H2 ASN A 1 -14.078 -6.880 -15.344 1.00 0.00 H new ATOM 0 H3 ASN A 1 -15.416 -6.608 -14.336 1.00 0.00 H new ATOM 0 HA ASN A 1 -13.673 -4.506 -15.482 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -15.884 -4.235 -13.426 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -14.801 -2.957 -13.941 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -18.093 -2.848 -15.907 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -17.706 -2.872 -14.184 1.00 0.00 H new ATOM 17 N GLU A 2 -11.973 -5.394 -13.814 1.00 0.00 N ATOM 18 CA GLU A 2 -10.883 -5.648 -12.849 1.00 0.00 C ATOM 19 C GLU A 2 -9.827 -4.536 -12.955 1.00 0.00 C ATOM 20 O GLU A 2 -9.654 -3.750 -12.025 1.00 0.00 O ATOM 21 CB GLU A 2 -10.303 -7.066 -13.081 1.00 0.00 C ATOM 22 CG GLU A 2 -10.385 -7.981 -11.852 1.00 0.00 C ATOM 23 CD GLU A 2 -9.349 -7.612 -10.772 1.00 0.00 C ATOM 24 OE1 GLU A 2 -8.148 -7.936 -10.945 1.00 0.00 O ATOM 25 OE2 GLU A 2 -9.734 -7.022 -9.734 1.00 0.00 O ATOM 0 H GLU A 2 -11.650 -5.394 -14.782 1.00 0.00 H new ATOM 0 HA GLU A 2 -11.262 -5.625 -11.827 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -10.837 -7.535 -13.907 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -9.260 -6.976 -13.386 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -11.386 -7.922 -11.426 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -10.230 -9.015 -12.161 1.00 0.00 H new ATOM 32 N GLN A 3 -9.184 -4.405 -14.122 1.00 0.00 N ATOM 33 CA GLN A 3 -8.170 -3.385 -14.431 1.00 0.00 C ATOM 34 C GLN A 3 -8.644 -1.928 -14.228 1.00 0.00 C ATOM 35 O GLN A 3 -7.861 -1.081 -13.800 1.00 0.00 O ATOM 36 CB GLN A 3 -7.643 -3.629 -15.859 1.00 0.00 C ATOM 37 CG GLN A 3 -8.669 -3.340 -16.972 1.00 0.00 C ATOM 38 CD GLN A 3 -8.306 -4.043 -18.279 1.00 0.00 C ATOM 39 OE1 GLN A 3 -7.547 -3.547 -19.103 1.00 0.00 O ATOM 40 NE2 GLN A 3 -8.836 -5.224 -18.527 1.00 0.00 N ATOM 0 H GLN A 3 -9.362 -5.030 -14.908 1.00 0.00 H new ATOM 0 HA GLN A 3 -7.362 -3.498 -13.708 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -6.764 -3.005 -16.021 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -7.318 -4.666 -15.941 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -9.658 -3.665 -16.648 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -8.727 -2.265 -17.142 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -9.470 -5.651 -17.851 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -8.612 -5.711 -19.395 1.00 0.00 H new ATOM 49 N GLU A 4 -9.925 -1.630 -14.486 1.00 0.00 N ATOM 50 CA GLU A 4 -10.511 -0.295 -14.260 1.00 0.00 C ATOM 51 C GLU A 4 -10.655 0.049 -12.768 1.00 0.00 C ATOM 52 O GLU A 4 -10.479 1.205 -12.383 1.00 0.00 O ATOM 53 CB GLU A 4 -11.883 -0.175 -14.942 1.00 0.00 C ATOM 54 CG GLU A 4 -11.777 -0.118 -16.471 1.00 0.00 C ATOM 55 CD GLU A 4 -13.102 0.365 -17.092 1.00 0.00 C ATOM 56 OE1 GLU A 4 -14.035 -0.456 -17.266 1.00 0.00 O ATOM 57 OE2 GLU A 4 -13.223 1.575 -17.410 1.00 0.00 O ATOM 0 H GLU A 4 -10.589 -2.309 -14.859 1.00 0.00 H new ATOM 0 HA GLU A 4 -9.814 0.418 -14.701 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -12.503 -1.025 -14.656 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -12.386 0.722 -14.582 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -10.968 0.554 -16.760 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -11.526 -1.105 -16.860 1.00 0.00 H new ATOM 64 N LEU A 5 -10.958 -0.940 -11.919 1.00 0.00 N ATOM 65 CA LEU A 5 -11.020 -0.768 -10.463 1.00 0.00 C ATOM 66 C LEU A 5 -9.611 -0.730 -9.845 1.00 0.00 C ATOM 67 O LEU A 5 -9.378 -0.021 -8.862 1.00 0.00 O ATOM 68 CB LEU A 5 -11.880 -1.897 -9.870 1.00 0.00 C ATOM 69 CG LEU A 5 -12.222 -1.668 -8.380 1.00 0.00 C ATOM 70 CD1 LEU A 5 -13.717 -1.869 -8.122 1.00 0.00 C ATOM 71 CD2 LEU A 5 -11.445 -2.627 -7.476 1.00 0.00 C ATOM 0 H LEU A 5 -11.169 -1.890 -12.226 1.00 0.00 H new ATOM 0 HA LEU A 5 -11.482 0.190 -10.225 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -12.804 -1.982 -10.442 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -11.351 -2.844 -9.976 1.00 0.00 H new ATOM 0 HG LEU A 5 -11.941 -0.641 -8.148 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -13.930 -1.702 -7.066 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -14.288 -1.162 -8.724 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -13.999 -2.887 -8.392 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -11.708 -2.440 -6.435 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -11.697 -3.655 -7.735 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -10.375 -2.470 -7.613 1.00 0.00 H new ATOM 83 N LEU A 6 -8.654 -1.441 -10.455 1.00 0.00 N ATOM 84 CA LEU A 6 -7.255 -1.499 -10.025 1.00 0.00 C ATOM 85 C LEU A 6 -6.574 -0.116 -9.980 1.00 0.00 C ATOM 86 O LEU A 6 -5.682 0.105 -9.165 1.00 0.00 O ATOM 87 CB LEU A 6 -6.475 -2.483 -10.921 1.00 0.00 C ATOM 88 CG LEU A 6 -5.518 -3.383 -10.118 1.00 0.00 C ATOM 89 CD1 LEU A 6 -6.284 -4.512 -9.422 1.00 0.00 C ATOM 90 CD2 LEU A 6 -4.483 -4.020 -11.046 1.00 0.00 C ATOM 0 H LEU A 6 -8.839 -2.006 -11.284 1.00 0.00 H new ATOM 0 HA LEU A 6 -7.245 -1.862 -8.997 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -7.181 -3.107 -11.469 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.905 -1.921 -11.661 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.027 -2.755 -9.374 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.586 -5.134 -8.861 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -7.019 -4.086 -8.739 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -6.793 -5.121 -10.169 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.813 -4.653 -10.464 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -4.991 -4.624 -11.798 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.905 -3.238 -11.538 1.00 0.00 H new ATOM 102 N GLU A 7 -7.013 0.827 -10.823 1.00 0.00 N ATOM 103 CA GLU A 7 -6.549 2.225 -10.840 1.00 0.00 C ATOM 104 C GLU A 7 -6.742 2.907 -9.472 1.00 0.00 C ATOM 105 O GLU A 7 -5.853 3.615 -8.993 1.00 0.00 O ATOM 106 CB GLU A 7 -7.300 3.017 -11.930 1.00 0.00 C ATOM 107 CG GLU A 7 -6.531 3.105 -13.258 1.00 0.00 C ATOM 108 CD GLU A 7 -5.275 4.005 -13.199 1.00 0.00 C ATOM 109 OE1 GLU A 7 -5.218 4.963 -12.390 1.00 0.00 O ATOM 110 OE2 GLU A 7 -4.332 3.772 -13.993 1.00 0.00 O ATOM 0 H GLU A 7 -7.720 0.636 -11.533 1.00 0.00 H new ATOM 0 HA GLU A 7 -5.482 2.217 -11.062 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.267 2.547 -12.109 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.498 4.025 -11.565 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -6.232 2.101 -13.560 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -7.201 3.484 -14.030 1.00 0.00 H new ATOM 117 N LEU A 8 -7.889 2.670 -8.825 1.00 0.00 N ATOM 118 CA LEU A 8 -8.204 3.161 -7.480 1.00 0.00 C ATOM 119 C LEU A 8 -7.561 2.273 -6.394 1.00 0.00 C ATOM 120 O LEU A 8 -7.061 2.779 -5.389 1.00 0.00 O ATOM 121 CB LEU A 8 -9.742 3.264 -7.351 1.00 0.00 C ATOM 122 CG LEU A 8 -10.221 4.519 -6.595 1.00 0.00 C ATOM 123 CD1 LEU A 8 -11.701 4.774 -6.889 1.00 0.00 C ATOM 124 CD2 LEU A 8 -10.059 4.405 -5.079 1.00 0.00 C ATOM 0 H LEU A 8 -8.643 2.117 -9.234 1.00 0.00 H new ATOM 0 HA LEU A 8 -7.778 4.152 -7.327 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -10.182 3.262 -8.348 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -10.114 2.378 -6.837 1.00 0.00 H new ATOM 0 HG LEU A 8 -9.595 5.340 -6.946 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -12.031 5.663 -6.351 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -11.838 4.926 -7.960 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -12.289 3.915 -6.566 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -10.414 5.320 -4.605 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -10.640 3.558 -4.714 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -9.007 4.255 -4.836 1.00 0.00 H new ATOM 136 N ASP A 9 -7.505 0.953 -6.615 1.00 0.00 N ATOM 137 CA ASP A 9 -6.905 -0.022 -5.688 1.00 0.00 C ATOM 138 C ASP A 9 -5.416 0.241 -5.378 1.00 0.00 C ATOM 139 O ASP A 9 -4.957 -0.056 -4.273 1.00 0.00 O ATOM 140 CB ASP A 9 -7.093 -1.443 -6.237 1.00 0.00 C ATOM 141 CG ASP A 9 -6.881 -2.509 -5.147 1.00 0.00 C ATOM 142 OD1 ASP A 9 -7.697 -2.570 -4.195 1.00 0.00 O ATOM 143 OD2 ASP A 9 -5.920 -3.308 -5.256 1.00 0.00 O ATOM 0 H ASP A 9 -7.882 0.522 -7.459 1.00 0.00 H new ATOM 0 HA ASP A 9 -7.430 0.091 -4.739 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -8.096 -1.542 -6.653 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -6.391 -1.613 -7.053 1.00 0.00 H new ATOM 148 N LYS A 10 -4.662 0.850 -6.307 1.00 0.00 N ATOM 149 CA LYS A 10 -3.255 1.263 -6.117 1.00 0.00 C ATOM 150 C LYS A 10 -3.071 2.150 -4.881 1.00 0.00 C ATOM 151 O LYS A 10 -2.181 1.897 -4.066 1.00 0.00 O ATOM 152 CB LYS A 10 -2.762 1.981 -7.386 1.00 0.00 C ATOM 153 CG LYS A 10 -2.466 0.989 -8.524 1.00 0.00 C ATOM 154 CD LYS A 10 -2.659 1.645 -9.897 1.00 0.00 C ATOM 155 CE LYS A 10 -2.472 0.633 -11.036 1.00 0.00 C ATOM 156 NZ LYS A 10 -1.039 0.431 -11.379 1.00 0.00 N ATOM 0 H LYS A 10 -5.019 1.076 -7.235 1.00 0.00 H new ATOM 0 HA LYS A 10 -2.657 0.368 -5.946 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.515 2.697 -7.715 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.861 2.549 -7.155 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -1.443 0.623 -8.434 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -3.123 0.124 -8.436 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.656 2.081 -9.956 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.947 2.462 -10.014 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.913 -0.321 -10.748 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.010 0.979 -11.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.961 -0.260 -12.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.623 1.336 -11.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.529 0.076 -10.545 1.00 0.00 H new ATOM 170 N TRP A 11 -3.930 3.156 -4.707 1.00 0.00 N ATOM 171 CA TRP A 11 -3.924 4.053 -3.543 1.00 0.00 C ATOM 172 C TRP A 11 -4.243 3.317 -2.231 1.00 0.00 C ATOM 173 O TRP A 11 -3.597 3.565 -1.210 1.00 0.00 O ATOM 174 CB TRP A 11 -4.901 5.212 -3.779 1.00 0.00 C ATOM 175 CG TRP A 11 -4.668 6.011 -5.029 1.00 0.00 C ATOM 176 CD1 TRP A 11 -5.590 6.230 -5.996 1.00 0.00 C ATOM 177 CD2 TRP A 11 -3.451 6.694 -5.473 1.00 0.00 C ATOM 178 NE1 TRP A 11 -5.034 6.998 -7.002 1.00 0.00 N ATOM 179 CE2 TRP A 11 -3.718 7.309 -6.735 1.00 0.00 C ATOM 180 CE3 TRP A 11 -2.150 6.862 -4.946 1.00 0.00 C ATOM 181 CZ2 TRP A 11 -2.750 8.046 -7.435 1.00 0.00 C ATOM 182 CZ3 TRP A 11 -1.169 7.594 -5.643 1.00 0.00 C ATOM 183 CH2 TRP A 11 -1.464 8.186 -6.884 1.00 0.00 C ATOM 0 H TRP A 11 -4.663 3.377 -5.381 1.00 0.00 H new ATOM 0 HA TRP A 11 -2.915 4.450 -3.433 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -5.914 4.810 -3.809 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -4.851 5.886 -2.924 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -6.605 5.861 -5.983 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -5.535 7.297 -7.838 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -1.904 6.421 -3.991 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -2.990 8.500 -8.385 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -0.181 7.702 -5.220 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -0.706 8.746 -7.412 1.00 0.00 H new ATOM 194 N ALA A 12 -5.195 2.378 -2.255 1.00 0.00 N ATOM 195 CA ALA A 12 -5.524 1.529 -1.105 1.00 0.00 C ATOM 196 C ALA A 12 -4.356 0.593 -0.718 1.00 0.00 C ATOM 197 O ALA A 12 -4.093 0.386 0.468 1.00 0.00 O ATOM 198 CB ALA A 12 -6.808 0.750 -1.417 1.00 0.00 C ATOM 0 H ALA A 12 -5.763 2.184 -3.080 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.693 2.161 -0.233 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -7.063 0.115 -0.569 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -7.622 1.450 -1.604 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.652 0.131 -2.300 1.00 0.00 H new ATOM 204 N SER A 13 -3.614 0.067 -1.701 1.00 0.00 N ATOM 205 CA SER A 13 -2.411 -0.754 -1.486 1.00 0.00 C ATOM 206 C SER A 13 -1.286 0.059 -0.821 1.00 0.00 C ATOM 207 O SER A 13 -0.693 -0.374 0.173 1.00 0.00 O ATOM 208 CB SER A 13 -1.945 -1.352 -2.818 1.00 0.00 C ATOM 209 OG SER A 13 -1.061 -2.435 -2.585 1.00 0.00 O ATOM 0 H SER A 13 -3.836 0.202 -2.688 1.00 0.00 H new ATOM 0 HA SER A 13 -2.665 -1.566 -0.805 1.00 0.00 H new ATOM 0 HB2 SER A 13 -2.806 -1.693 -3.393 1.00 0.00 H new ATOM 0 HB3 SER A 13 -1.446 -0.587 -3.414 1.00 0.00 H new ATOM 0 HG SER A 13 -0.771 -2.811 -3.442 1.00 0.00 H new ATOM 215 N LEU A 14 -1.040 1.283 -1.309 1.00 0.00 N ATOM 216 CA LEU A 14 -0.081 2.244 -0.740 1.00 0.00 C ATOM 217 C LEU A 14 -0.396 2.626 0.719 1.00 0.00 C ATOM 218 O LEU A 14 0.519 2.941 1.483 1.00 0.00 O ATOM 219 CB LEU A 14 -0.035 3.498 -1.636 1.00 0.00 C ATOM 220 CG LEU A 14 1.020 3.393 -2.751 1.00 0.00 C ATOM 221 CD1 LEU A 14 0.701 4.364 -3.887 1.00 0.00 C ATOM 222 CD2 LEU A 14 2.414 3.730 -2.210 1.00 0.00 C ATOM 0 H LEU A 14 -1.517 1.644 -2.136 1.00 0.00 H new ATOM 0 HA LEU A 14 0.896 1.761 -0.716 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.016 3.656 -2.084 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.179 4.372 -1.020 1.00 0.00 H new ATOM 0 HG LEU A 14 1.003 2.368 -3.122 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.459 4.275 -4.666 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.278 4.127 -4.304 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.694 5.384 -3.503 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.146 3.650 -3.014 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.416 4.747 -1.818 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.673 3.033 -1.413 1.00 0.00 H new ATOM 234 N TRP A 15 -1.664 2.550 1.134 1.00 0.00 N ATOM 235 CA TRP A 15 -2.091 2.780 2.520 1.00 0.00 C ATOM 236 C TRP A 15 -1.451 1.783 3.500 1.00 0.00 C ATOM 237 O TRP A 15 -0.957 2.173 4.559 1.00 0.00 O ATOM 238 CB TRP A 15 -3.623 2.737 2.607 1.00 0.00 C ATOM 239 CG TRP A 15 -4.206 3.736 3.552 1.00 0.00 C ATOM 240 CD1 TRP A 15 -4.617 3.502 4.819 1.00 0.00 C ATOM 241 CD2 TRP A 15 -4.428 5.157 3.308 1.00 0.00 C ATOM 242 NE1 TRP A 15 -5.081 4.682 5.374 1.00 0.00 N ATOM 243 CE2 TRP A 15 -4.983 5.734 4.487 1.00 0.00 C ATOM 244 CE3 TRP A 15 -4.209 6.013 2.206 1.00 0.00 C ATOM 245 CZ2 TRP A 15 -5.306 7.098 4.571 1.00 0.00 C ATOM 246 CZ3 TRP A 15 -4.528 7.383 2.280 1.00 0.00 C ATOM 247 CH2 TRP A 15 -5.075 7.926 3.457 1.00 0.00 C ATOM 0 H TRP A 15 -2.436 2.323 0.507 1.00 0.00 H new ATOM 0 HA TRP A 15 -1.745 3.770 2.817 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -4.038 2.907 1.613 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -3.931 1.738 2.915 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -4.588 2.545 5.319 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -5.450 4.764 6.322 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -3.791 5.612 1.294 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -5.726 7.506 5.478 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -4.351 8.021 1.427 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -5.317 8.977 3.505 1.00 0.00 H new ATOM 258 N ASN A 16 -1.413 0.497 3.130 1.00 0.00 N ATOM 259 CA ASN A 16 -0.744 -0.557 3.901 1.00 0.00 C ATOM 260 C ASN A 16 0.791 -0.418 3.856 1.00 0.00 C ATOM 261 O ASN A 16 1.459 -0.609 4.873 1.00 0.00 O ATOM 262 CB ASN A 16 -1.210 -1.938 3.398 1.00 0.00 C ATOM 263 CG ASN A 16 -1.744 -2.792 4.537 1.00 0.00 C ATOM 264 OD1 ASN A 16 -1.003 -3.319 5.354 1.00 0.00 O ATOM 265 ND2 ASN A 16 -3.046 -2.946 4.641 1.00 0.00 N ATOM 0 H ASN A 16 -1.852 0.155 2.275 1.00 0.00 H new ATOM 0 HA ASN A 16 -1.026 -0.453 4.949 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -1.986 -1.809 2.643 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -0.378 -2.451 2.916 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -3.434 -3.504 5.402 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -3.667 -2.508 3.961 1.00 0.00 H new ATOM 272 N TRP A 17 1.356 -0.030 2.704 1.00 0.00 N ATOM 273 CA TRP A 17 2.799 0.209 2.540 1.00 0.00 C ATOM 274 C TRP A 17 3.358 1.265 3.513 1.00 0.00 C ATOM 275 O TRP A 17 4.496 1.135 3.964 1.00 0.00 O ATOM 276 CB TRP A 17 3.107 0.592 1.087 1.00 0.00 C ATOM 277 CG TRP A 17 4.564 0.762 0.779 1.00 0.00 C ATOM 278 CD1 TRP A 17 5.453 -0.245 0.618 1.00 0.00 C ATOM 279 CD2 TRP A 17 5.326 2.001 0.620 1.00 0.00 C ATOM 280 NE1 TRP A 17 6.706 0.281 0.365 1.00 0.00 N ATOM 281 CE2 TRP A 17 6.686 1.660 0.353 1.00 0.00 C ATOM 282 CE3 TRP A 17 5.009 3.378 0.674 1.00 0.00 C ATOM 283 CZ2 TRP A 17 7.678 2.629 0.141 1.00 0.00 C ATOM 284 CZ3 TRP A 17 5.999 4.361 0.463 1.00 0.00 C ATOM 285 CH2 TRP A 17 7.329 3.989 0.195 1.00 0.00 C ATOM 0 H TRP A 17 0.820 0.129 1.851 1.00 0.00 H new ATOM 0 HA TRP A 17 3.303 -0.725 2.787 1.00 0.00 H new ATOM 0 HB2 TRP A 17 2.698 -0.175 0.429 1.00 0.00 H new ATOM 0 HB3 TRP A 17 2.589 1.522 0.853 1.00 0.00 H new ATOM 0 HD1 TRP A 17 5.220 -1.298 0.678 1.00 0.00 H new ATOM 0 HE1 TRP A 17 7.542 -0.281 0.207 1.00 0.00 H new ATOM 0 HE3 TRP A 17 3.993 3.682 0.880 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 8.697 2.333 -0.061 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 5.734 5.407 0.508 1.00 0.00 H new ATOM 0 HH2 TRP A 17 8.080 4.747 0.031 1.00 0.00 H new ATOM 296 N PHE A 18 2.550 2.257 3.912 1.00 0.00 N ATOM 297 CA PHE A 18 2.928 3.262 4.915 1.00 0.00 C ATOM 298 C PHE A 18 3.341 2.629 6.260 1.00 0.00 C ATOM 299 O PHE A 18 4.291 3.081 6.906 1.00 0.00 O ATOM 300 CB PHE A 18 1.783 4.271 5.098 1.00 0.00 C ATOM 301 CG PHE A 18 2.265 5.664 5.461 1.00 0.00 C ATOM 302 CD1 PHE A 18 2.646 5.974 6.782 1.00 0.00 C ATOM 303 CD2 PHE A 18 2.362 6.651 4.461 1.00 0.00 C ATOM 304 CE1 PHE A 18 3.125 7.260 7.096 1.00 0.00 C ATOM 305 CE2 PHE A 18 2.836 7.937 4.776 1.00 0.00 C ATOM 306 CZ PHE A 18 3.220 8.241 6.094 1.00 0.00 C ATOM 0 H PHE A 18 1.607 2.385 3.544 1.00 0.00 H new ATOM 0 HA PHE A 18 3.809 3.787 4.545 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.203 4.323 4.177 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.112 3.911 5.878 1.00 0.00 H new ATOM 0 HD1 PHE A 18 2.570 5.223 7.555 1.00 0.00 H new ATOM 0 HD2 PHE A 18 2.071 6.419 3.447 1.00 0.00 H new ATOM 0 HE1 PHE A 18 3.420 7.493 8.108 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.905 8.691 4.006 1.00 0.00 H new ATOM 0 HZ PHE A 18 3.588 9.227 6.336 1.00 0.00 H new ATOM 316 N ASN A 19 2.654 1.557 6.682 1.00 0.00 N ATOM 317 CA ASN A 19 3.005 0.796 7.883 1.00 0.00 C ATOM 318 C ASN A 19 4.338 0.050 7.686 1.00 0.00 C ATOM 319 O ASN A 19 5.186 0.069 8.577 1.00 0.00 O ATOM 320 CB ASN A 19 1.855 -0.166 8.230 1.00 0.00 C ATOM 321 CG ASN A 19 2.135 -0.955 9.500 1.00 0.00 C ATOM 322 OD1 ASN A 19 2.591 -2.088 9.470 1.00 0.00 O ATOM 323 ND2 ASN A 19 1.874 -0.386 10.656 1.00 0.00 N ATOM 0 H ASN A 19 1.835 1.194 6.194 1.00 0.00 H new ATOM 0 HA ASN A 19 3.146 1.480 8.720 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.932 0.401 8.352 1.00 0.00 H new ATOM 0 HB3 ASN A 19 1.698 -0.857 7.402 1.00 0.00 H new ATOM 0 HD21 ASN A 19 2.052 -0.890 11.524 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.493 0.560 10.684 1.00 0.00 H new ATOM 330 N ILE A 20 4.551 -0.557 6.511 1.00 0.00 N ATOM 331 CA ILE A 20 5.784 -1.279 6.148 1.00 0.00 C ATOM 332 C ILE A 20 7.027 -0.377 6.230 1.00 0.00 C ATOM 333 O ILE A 20 8.033 -0.801 6.799 1.00 0.00 O ATOM 334 CB ILE A 20 5.658 -1.964 4.766 1.00 0.00 C ATOM 335 CG1 ILE A 20 4.422 -2.889 4.666 1.00 0.00 C ATOM 336 CG2 ILE A 20 6.930 -2.756 4.413 1.00 0.00 C ATOM 337 CD1 ILE A 20 4.337 -4.014 5.709 1.00 0.00 C ATOM 0 H ILE A 20 3.855 -0.561 5.766 1.00 0.00 H new ATOM 0 HA ILE A 20 5.921 -2.068 6.887 1.00 0.00 H new ATOM 0 HB ILE A 20 5.527 -1.157 4.045 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.525 -2.275 4.749 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.409 -3.339 3.673 1.00 0.00 H new ATOM 0 HG21 ILE A 20 6.808 -3.224 3.436 1.00 0.00 H new ATOM 0 HG22 ILE A 20 7.784 -2.079 4.387 1.00 0.00 H new ATOM 0 HG23 ILE A 20 7.100 -3.526 5.166 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.431 -4.597 5.542 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.208 -4.662 5.617 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.311 -3.582 6.709 1.00 0.00 H new ATOM 349 N THR A 21 6.971 0.871 5.743 1.00 0.00 N ATOM 350 CA THR A 21 8.088 1.837 5.860 1.00 0.00 C ATOM 351 C THR A 21 8.540 2.076 7.304 1.00 0.00 C ATOM 352 O THR A 21 9.743 2.167 7.555 1.00 0.00 O ATOM 353 CB THR A 21 7.800 3.208 5.206 1.00 0.00 C ATOM 354 OG1 THR A 21 6.426 3.462 5.009 1.00 0.00 O ATOM 355 CG2 THR A 21 8.471 3.325 3.840 1.00 0.00 C ATOM 0 H THR A 21 6.155 1.244 5.257 1.00 0.00 H new ATOM 0 HA THR A 21 8.893 1.350 5.310 1.00 0.00 H new ATOM 0 HB THR A 21 8.201 3.935 5.912 1.00 0.00 H new ATOM 0 HG1 THR A 21 5.932 3.239 5.825 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.248 4.301 3.408 1.00 0.00 H new ATOM 0 HG22 THR A 21 9.550 3.216 3.954 1.00 0.00 H new ATOM 0 HG23 THR A 21 8.095 2.542 3.182 1.00 0.00 H new ATOM 363 N ASN A 22 7.612 2.152 8.266 1.00 0.00 N ATOM 364 CA ASN A 22 7.952 2.295 9.686 1.00 0.00 C ATOM 365 C ASN A 22 8.340 0.953 10.339 1.00 0.00 C ATOM 366 O ASN A 22 9.275 0.902 11.138 1.00 0.00 O ATOM 367 CB ASN A 22 6.786 2.980 10.419 1.00 0.00 C ATOM 368 CG ASN A 22 7.233 3.509 11.774 1.00 0.00 C ATOM 369 OD1 ASN A 22 7.864 4.552 11.878 1.00 0.00 O ATOM 370 ND2 ASN A 22 6.937 2.820 12.853 1.00 0.00 N ATOM 0 H ASN A 22 6.609 2.116 8.083 1.00 0.00 H new ATOM 0 HA ASN A 22 8.839 2.923 9.768 1.00 0.00 H new ATOM 0 HB2 ASN A 22 6.401 3.800 9.813 1.00 0.00 H new ATOM 0 HB3 ASN A 22 5.968 2.272 10.552 1.00 0.00 H new ATOM 0 HD21 ASN A 22 7.233 3.156 13.770 1.00 0.00 H new ATOM 0 HD22 ASN A 22 6.411 1.950 12.774 1.00 0.00 H new ATOM 377 N TRP A 23 7.664 -0.147 9.983 1.00 0.00 N ATOM 378 CA TRP A 23 7.963 -1.503 10.469 1.00 0.00 C ATOM 379 C TRP A 23 9.368 -1.984 10.078 1.00 0.00 C ATOM 380 O TRP A 23 9.991 -2.739 10.822 1.00 0.00 O ATOM 381 CB TRP A 23 6.895 -2.479 9.962 1.00 0.00 C ATOM 382 CG TRP A 23 6.961 -3.864 10.537 1.00 0.00 C ATOM 383 CD1 TRP A 23 6.950 -4.165 11.858 1.00 0.00 C ATOM 384 CD2 TRP A 23 7.044 -5.146 9.837 1.00 0.00 C ATOM 385 NE1 TRP A 23 6.997 -5.535 12.023 1.00 0.00 N ATOM 386 CE2 TRP A 23 7.038 -6.190 10.810 1.00 0.00 C ATOM 387 CE3 TRP A 23 7.116 -5.537 8.481 1.00 0.00 C ATOM 388 CZ2 TRP A 23 7.076 -7.547 10.462 1.00 0.00 C ATOM 389 CZ3 TRP A 23 7.178 -6.899 8.120 1.00 0.00 C ATOM 390 CH2 TRP A 23 7.152 -7.903 9.104 1.00 0.00 C ATOM 0 H TRP A 23 6.877 -0.120 9.335 1.00 0.00 H new ATOM 0 HA TRP A 23 7.945 -1.470 11.558 1.00 0.00 H new ATOM 0 HB2 TRP A 23 5.912 -2.060 10.180 1.00 0.00 H new ATOM 0 HB3 TRP A 23 6.978 -2.550 8.878 1.00 0.00 H new ATOM 0 HD1 TRP A 23 6.910 -3.443 12.660 1.00 0.00 H new ATOM 0 HE1 TRP A 23 7.001 -6.004 12.929 1.00 0.00 H new ATOM 0 HE3 TRP A 23 7.124 -4.781 7.709 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 7.047 -8.309 11.227 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 7.246 -7.173 7.078 1.00 0.00 H new ATOM 0 HH2 TRP A 23 7.190 -8.944 8.818 1.00 0.00 H new ATOM 401 N LEU A 24 9.905 -1.495 8.956 1.00 0.00 N ATOM 402 CA LEU A 24 11.270 -1.758 8.483 1.00 0.00 C ATOM 403 C LEU A 24 12.320 -1.484 9.581 1.00 0.00 C ATOM 404 O LEU A 24 13.230 -2.288 9.776 1.00 0.00 O ATOM 405 CB LEU A 24 11.526 -0.928 7.205 1.00 0.00 C ATOM 406 CG LEU A 24 11.941 -1.778 5.991 1.00 0.00 C ATOM 407 CD1 LEU A 24 11.796 -0.964 4.703 1.00 0.00 C ATOM 408 CD2 LEU A 24 13.391 -2.252 6.103 1.00 0.00 C ATOM 0 H LEU A 24 9.383 -0.883 8.329 1.00 0.00 H new ATOM 0 HA LEU A 24 11.369 -2.816 8.239 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.622 -0.371 6.956 1.00 0.00 H new ATOM 0 HB3 LEU A 24 12.306 -0.195 7.408 1.00 0.00 H new ATOM 0 HG LEU A 24 11.285 -2.648 5.968 1.00 0.00 H new ATOM 0 HD11 LEU A 24 12.092 -1.576 3.851 1.00 0.00 H new ATOM 0 HD12 LEU A 24 10.758 -0.654 4.584 1.00 0.00 H new ATOM 0 HD13 LEU A 24 12.434 -0.082 4.756 1.00 0.00 H new ATOM 0 HD21 LEU A 24 13.647 -2.849 5.228 1.00 0.00 H new ATOM 0 HD22 LEU A 24 14.053 -1.388 6.159 1.00 0.00 H new ATOM 0 HD23 LEU A 24 13.507 -2.857 7.002 1.00 0.00 H new ATOM 420 N TRP A 25 12.154 -0.397 10.346 1.00 0.00 N ATOM 421 CA TRP A 25 13.005 -0.053 11.499 1.00 0.00 C ATOM 422 C TRP A 25 12.910 -1.052 12.669 1.00 0.00 C ATOM 423 O TRP A 25 13.870 -1.188 13.427 1.00 0.00 O ATOM 424 CB TRP A 25 12.678 1.364 12.002 1.00 0.00 C ATOM 425 CG TRP A 25 13.642 2.439 11.597 1.00 0.00 C ATOM 426 CD1 TRP A 25 13.303 3.630 11.048 1.00 0.00 C ATOM 427 CD2 TRP A 25 15.097 2.464 11.749 1.00 0.00 C ATOM 428 NE1 TRP A 25 14.443 4.385 10.847 1.00 0.00 N ATOM 429 CE2 TRP A 25 15.576 3.716 11.260 1.00 0.00 C ATOM 430 CE3 TRP A 25 16.062 1.564 12.258 1.00 0.00 C ATOM 431 CZ2 TRP A 25 16.938 4.057 11.271 1.00 0.00 C ATOM 432 CZ3 TRP A 25 17.432 1.891 12.266 1.00 0.00 C ATOM 433 CH2 TRP A 25 17.871 3.134 11.776 1.00 0.00 C ATOM 0 H TRP A 25 11.411 0.282 10.180 1.00 0.00 H new ATOM 0 HA TRP A 25 14.031 -0.100 11.133 1.00 0.00 H new ATOM 0 HB2 TRP A 25 11.686 1.637 11.642 1.00 0.00 H new ATOM 0 HB3 TRP A 25 12.626 1.340 13.091 1.00 0.00 H new ATOM 0 HD1 TRP A 25 12.298 3.941 10.805 1.00 0.00 H new ATOM 0 HE1 TRP A 25 14.446 5.322 10.443 1.00 0.00 H new ATOM 0 HE3 TRP A 25 15.743 0.609 12.648 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 17.265 5.016 10.896 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 18.150 1.182 12.651 1.00 0.00 H new ATOM 0 HH2 TRP A 25 18.923 3.379 11.788 1.00 0.00 H new ATOM 444 N TYR A 26 11.781 -1.748 12.834 1.00 0.00 N ATOM 445 CA TYR A 26 11.608 -2.799 13.841 1.00 0.00 C ATOM 446 C TYR A 26 12.382 -4.078 13.464 1.00 0.00 C ATOM 447 O TYR A 26 12.952 -4.742 14.332 1.00 0.00 O ATOM 448 CB TYR A 26 10.111 -3.105 14.018 1.00 0.00 C ATOM 449 CG TYR A 26 9.706 -3.315 15.465 1.00 0.00 C ATOM 450 CD1 TYR A 26 10.050 -4.502 16.139 1.00 0.00 C ATOM 451 CD2 TYR A 26 9.007 -2.298 16.142 1.00 0.00 C ATOM 452 CE1 TYR A 26 9.694 -4.673 17.491 1.00 0.00 C ATOM 453 CE2 TYR A 26 8.640 -2.467 17.492 1.00 0.00 C ATOM 454 CZ TYR A 26 8.985 -3.658 18.172 1.00 0.00 C ATOM 455 OH TYR A 26 8.643 -3.832 19.479 1.00 0.00 O ATOM 0 H TYR A 26 10.950 -1.595 12.263 1.00 0.00 H new ATOM 0 HA TYR A 26 12.016 -2.439 14.785 1.00 0.00 H new ATOM 0 HB2 TYR A 26 9.528 -2.284 13.601 1.00 0.00 H new ATOM 0 HB3 TYR A 26 9.860 -3.998 13.445 1.00 0.00 H new ATOM 0 HD1 TYR A 26 10.587 -5.282 15.619 1.00 0.00 H new ATOM 0 HD2 TYR A 26 8.751 -1.385 15.625 1.00 0.00 H new ATOM 0 HE1 TYR A 26 9.964 -5.582 18.008 1.00 0.00 H new ATOM 0 HE2 TYR A 26 8.096 -1.688 18.006 1.00 0.00 H new ATOM 0 HH TYR A 26 8.161 -3.041 19.799 1.00 0.00 H new ATOM 465 N ILE A 27 12.409 -4.420 12.170 1.00 0.00 N ATOM 466 CA ILE A 27 13.112 -5.594 11.630 1.00 0.00 C ATOM 467 C ILE A 27 14.635 -5.379 11.576 1.00 0.00 C ATOM 468 O ILE A 27 15.394 -6.232 12.049 1.00 0.00 O ATOM 469 CB ILE A 27 12.572 -5.946 10.222 1.00 0.00 C ATOM 470 CG1 ILE A 27 11.042 -6.155 10.182 1.00 0.00 C ATOM 471 CG2 ILE A 27 13.271 -7.190 9.640 1.00 0.00 C ATOM 472 CD1 ILE A 27 10.480 -7.191 11.167 1.00 0.00 C ATOM 0 H ILE A 27 11.932 -3.876 11.451 1.00 0.00 H new ATOM 0 HA ILE A 27 12.921 -6.427 12.307 1.00 0.00 H new ATOM 0 HB ILE A 27 12.801 -5.076 9.607 1.00 0.00 H new ATOM 0 HG12 ILE A 27 10.559 -5.198 10.377 1.00 0.00 H new ATOM 0 HG13 ILE A 27 10.762 -6.454 9.172 1.00 0.00 H new ATOM 0 HG21 ILE A 27 12.866 -7.406 8.651 1.00 0.00 H new ATOM 0 HG22 ILE A 27 14.342 -7.002 9.560 1.00 0.00 H new ATOM 0 HG23 ILE A 27 13.101 -8.043 10.296 1.00 0.00 H new ATOM 0 HD11 ILE A 27 9.398 -7.254 11.051 1.00 0.00 H new ATOM 0 HD12 ILE A 27 10.924 -8.165 10.963 1.00 0.00 H new ATOM 0 HD13 ILE A 27 10.718 -6.890 12.187 1.00 0.00 H new ATOM 484 N LYS A 28 15.085 -4.265 10.980 1.00 0.00 N ATOM 485 CA LYS A 28 16.509 -3.955 10.744 1.00 0.00 C ATOM 486 C LYS A 28 17.288 -3.532 12.007 1.00 0.00 C ATOM 487 O LYS A 28 18.539 -3.544 11.954 1.00 0.00 O ATOM 488 CB LYS A 28 16.642 -2.910 9.612 1.00 0.00 C ATOM 489 CG LYS A 28 17.705 -3.309 8.563 1.00 0.00 C ATOM 490 CD LYS A 28 18.678 -2.171 8.236 1.00 0.00 C ATOM 491 CE LYS A 28 17.987 -1.001 7.519 1.00 0.00 C ATOM 492 NZ LYS A 28 18.576 0.305 7.912 1.00 0.00 N ATOM 493 OXT LYS A 28 16.669 -3.187 13.040 1.00 0.00 O ATOM 0 H LYS A 28 14.458 -3.536 10.640 1.00 0.00 H new ATOM 0 HA LYS A 28 16.980 -4.888 10.434 1.00 0.00 H new ATOM 0 HB2 LYS A 28 15.677 -2.787 9.119 1.00 0.00 H new ATOM 0 HB3 LYS A 28 16.905 -1.944 10.042 1.00 0.00 H new ATOM 0 HG2 LYS A 28 18.268 -4.167 8.932 1.00 0.00 H new ATOM 0 HG3 LYS A 28 17.204 -3.626 7.648 1.00 0.00 H new ATOM 0 HD2 LYS A 28 19.135 -1.811 9.158 1.00 0.00 H new ATOM 0 HD3 LYS A 28 19.484 -2.554 7.609 1.00 0.00 H new ATOM 0 HE2 LYS A 28 18.076 -1.131 6.440 1.00 0.00 H new ATOM 0 HE3 LYS A 28 16.923 -1.007 7.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 18.086 1.072 7.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 18.469 0.439 8.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 19.586 0.319 7.664 1.00 0.00 H new TER 507 LYS A 28