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= 0.0415 X(o=0.041,f=0) 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) 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=-0.021) USER MOD Single : A 19 ASN : amide:sc= -0.0199 X(o=-0.02,f=-0.33) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.00611 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.096) 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 -8.256 -8.477 -8.822 1.00 0.00 N ATOM 2 CA ASN A 1 -7.631 -7.347 -9.566 1.00 0.00 C ATOM 3 C ASN A 1 -8.509 -6.887 -10.744 1.00 0.00 C ATOM 4 O ASN A 1 -8.110 -6.970 -11.907 1.00 0.00 O ATOM 5 CB ASN A 1 -6.170 -7.677 -9.978 1.00 0.00 C ATOM 6 CG ASN A 1 -6.006 -9.012 -10.715 1.00 0.00 C ATOM 7 OD1 ASN A 1 -5.755 -10.044 -10.107 1.00 0.00 O ATOM 8 ND2 ASN A 1 -6.161 -9.056 -12.023 1.00 0.00 N ATOM 0 H1 ASN A 1 -7.637 -8.760 -8.036 1.00 0.00 H new ATOM 0 H2 ASN A 1 -9.178 -8.177 -8.446 1.00 0.00 H new ATOM 0 H3 ASN A 1 -8.390 -9.284 -9.465 1.00 0.00 H new ATOM 0 HA ASN A 1 -7.569 -6.493 -8.891 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -5.795 -6.876 -10.615 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -5.547 -7.691 -9.083 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -6.072 -9.944 -12.518 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -6.370 -8.202 -12.541 1.00 0.00 H new ATOM 17 N GLU A 2 -9.722 -6.387 -10.476 1.00 0.00 N ATOM 18 CA GLU A 2 -10.630 -5.887 -11.527 1.00 0.00 C ATOM 19 C GLU A 2 -10.153 -4.544 -12.109 1.00 0.00 C ATOM 20 O GLU A 2 -9.737 -3.648 -11.370 1.00 0.00 O ATOM 21 CB GLU A 2 -12.058 -5.723 -10.979 1.00 0.00 C ATOM 22 CG GLU A 2 -12.688 -7.061 -10.565 1.00 0.00 C ATOM 23 CD GLU A 2 -14.183 -6.902 -10.224 1.00 0.00 C ATOM 24 OE1 GLU A 2 -14.520 -6.189 -9.248 1.00 0.00 O ATOM 25 OE2 GLU A 2 -15.036 -7.505 -10.922 1.00 0.00 O ATOM 0 H GLU A 2 -10.104 -6.316 -9.533 1.00 0.00 H new ATOM 0 HA GLU A 2 -10.626 -6.628 -12.326 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -12.039 -5.053 -10.119 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -12.682 -5.251 -11.737 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -12.573 -7.783 -11.373 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -12.158 -7.462 -9.701 1.00 0.00 H new ATOM 32 N GLN A 3 -10.269 -4.374 -13.431 1.00 0.00 N ATOM 33 CA GLN A 3 -9.896 -3.139 -14.139 1.00 0.00 C ATOM 34 C GLN A 3 -10.710 -1.904 -13.701 1.00 0.00 C ATOM 35 O GLN A 3 -10.220 -0.780 -13.780 1.00 0.00 O ATOM 36 CB GLN A 3 -9.990 -3.365 -15.659 1.00 0.00 C ATOM 37 CG GLN A 3 -11.432 -3.472 -16.188 1.00 0.00 C ATOM 38 CD GLN A 3 -11.479 -3.989 -17.624 1.00 0.00 C ATOM 39 OE1 GLN A 3 -11.614 -5.180 -17.880 1.00 0.00 O ATOM 40 NE2 GLN A 3 -11.373 -3.131 -18.618 1.00 0.00 N ATOM 0 H GLN A 3 -10.630 -5.100 -14.050 1.00 0.00 H new ATOM 0 HA GLN A 3 -8.865 -2.912 -13.867 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -9.486 -2.544 -16.170 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -9.452 -4.278 -15.914 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -12.006 -4.139 -15.544 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -11.909 -2.493 -16.140 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -11.260 -2.136 -18.423 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -11.404 -3.462 -19.582 1.00 0.00 H new ATOM 49 N GLU A 4 -11.939 -2.096 -13.206 1.00 0.00 N ATOM 50 CA GLU A 4 -12.778 -1.022 -12.663 1.00 0.00 C ATOM 51 C GLU A 4 -12.209 -0.459 -11.345 1.00 0.00 C ATOM 52 O GLU A 4 -12.185 0.754 -11.136 1.00 0.00 O ATOM 53 CB GLU A 4 -14.208 -1.552 -12.446 1.00 0.00 C ATOM 54 CG GLU A 4 -15.232 -0.414 -12.529 1.00 0.00 C ATOM 55 CD GLU A 4 -16.562 -0.795 -11.851 1.00 0.00 C ATOM 56 OE1 GLU A 4 -16.718 -0.539 -10.631 1.00 0.00 O ATOM 57 OE2 GLU A 4 -17.467 -1.340 -12.529 1.00 0.00 O ATOM 0 H GLU A 4 -12.384 -3.013 -13.171 1.00 0.00 H new ATOM 0 HA GLU A 4 -12.792 -0.204 -13.383 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -14.437 -2.308 -13.196 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -14.276 -2.038 -11.473 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -14.824 0.478 -12.054 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -15.415 -0.164 -13.574 1.00 0.00 H new ATOM 64 N LEU A 5 -11.706 -1.341 -10.469 1.00 0.00 N ATOM 65 CA LEU A 5 -11.089 -1.002 -9.180 1.00 0.00 C ATOM 66 C LEU A 5 -9.649 -0.470 -9.302 1.00 0.00 C ATOM 67 O LEU A 5 -9.079 -0.032 -8.302 1.00 0.00 O ATOM 68 CB LEU A 5 -11.143 -2.232 -8.244 1.00 0.00 C ATOM 69 CG LEU A 5 -11.908 -1.963 -6.934 1.00 0.00 C ATOM 70 CD1 LEU A 5 -13.397 -1.705 -7.193 1.00 0.00 C ATOM 71 CD2 LEU A 5 -11.773 -3.167 -6.001 1.00 0.00 C ATOM 0 H LEU A 5 -11.719 -2.345 -10.646 1.00 0.00 H new ATOM 0 HA LEU A 5 -11.668 -0.181 -8.756 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -11.616 -3.061 -8.770 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -10.126 -2.545 -8.006 1.00 0.00 H new ATOM 0 HG LEU A 5 -11.475 -1.074 -6.476 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -13.904 -1.519 -6.246 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -13.508 -0.836 -7.841 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -13.839 -2.577 -7.676 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -12.315 -2.973 -5.076 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -12.187 -4.051 -6.486 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -10.720 -3.336 -5.776 1.00 0.00 H new ATOM 83 N LEU A 6 -9.059 -0.475 -10.505 1.00 0.00 N ATOM 84 CA LEU A 6 -7.692 -0.009 -10.772 1.00 0.00 C ATOM 85 C LEU A 6 -7.441 1.427 -10.278 1.00 0.00 C ATOM 86 O LEU A 6 -6.345 1.733 -9.811 1.00 0.00 O ATOM 87 CB LEU A 6 -7.385 -0.195 -12.269 1.00 0.00 C ATOM 88 CG LEU A 6 -5.920 0.110 -12.651 1.00 0.00 C ATOM 89 CD1 LEU A 6 -5.421 -0.877 -13.709 1.00 0.00 C ATOM 90 CD2 LEU A 6 -5.763 1.520 -13.228 1.00 0.00 C ATOM 0 H LEU A 6 -9.533 -0.813 -11.343 1.00 0.00 H new ATOM 0 HA LEU A 6 -6.994 -0.616 -10.195 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -7.618 -1.221 -12.553 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -8.043 0.453 -12.848 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.338 0.022 -11.733 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -4.387 -0.645 -13.964 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -5.479 -1.892 -13.316 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -6.042 -0.798 -14.602 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -4.718 1.694 -13.484 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -6.377 1.617 -14.124 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -6.083 2.254 -12.488 1.00 0.00 H new ATOM 102 N GLU A 7 -8.462 2.290 -10.310 1.00 0.00 N ATOM 103 CA GLU A 7 -8.403 3.661 -9.776 1.00 0.00 C ATOM 104 C GLU A 7 -8.031 3.715 -8.278 1.00 0.00 C ATOM 105 O GLU A 7 -7.352 4.645 -7.838 1.00 0.00 O ATOM 106 CB GLU A 7 -9.731 4.395 -10.050 1.00 0.00 C ATOM 107 CG GLU A 7 -10.940 3.868 -9.250 1.00 0.00 C ATOM 108 CD GLU A 7 -12.261 4.588 -9.607 1.00 0.00 C ATOM 109 OE1 GLU A 7 -12.250 5.806 -9.914 1.00 0.00 O ATOM 110 OE2 GLU A 7 -13.339 3.949 -9.542 1.00 0.00 O ATOM 0 H GLU A 7 -9.369 2.055 -10.714 1.00 0.00 H new ATOM 0 HA GLU A 7 -7.597 4.174 -10.300 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.598 5.453 -9.825 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -9.957 4.322 -11.114 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -11.053 2.800 -9.435 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -10.744 3.988 -8.185 1.00 0.00 H new ATOM 117 N LEU A 8 -8.449 2.705 -7.501 1.00 0.00 N ATOM 118 CA LEU A 8 -8.120 2.520 -6.087 1.00 0.00 C ATOM 119 C LEU A 8 -6.888 1.617 -5.885 1.00 0.00 C ATOM 120 O LEU A 8 -6.147 1.800 -4.922 1.00 0.00 O ATOM 121 CB LEU A 8 -9.361 1.968 -5.344 1.00 0.00 C ATOM 122 CG LEU A 8 -9.765 2.731 -4.065 1.00 0.00 C ATOM 123 CD1 LEU A 8 -8.626 2.872 -3.054 1.00 0.00 C ATOM 124 CD2 LEU A 8 -10.323 4.120 -4.385 1.00 0.00 C ATOM 0 H LEU A 8 -9.052 1.965 -7.860 1.00 0.00 H new ATOM 0 HA LEU A 8 -7.851 3.489 -5.666 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -10.207 1.974 -6.032 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -9.172 0.927 -5.081 1.00 0.00 H new ATOM 0 HG LEU A 8 -10.543 2.119 -3.608 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -8.981 3.418 -2.180 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -8.285 1.882 -2.750 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -7.799 3.416 -3.511 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -10.596 4.625 -3.458 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -9.566 4.705 -4.908 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -11.205 4.021 -5.017 1.00 0.00 H new ATOM 136 N ASP A 9 -6.618 0.677 -6.798 1.00 0.00 N ATOM 137 CA ASP A 9 -5.448 -0.217 -6.749 1.00 0.00 C ATOM 138 C ASP A 9 -4.113 0.554 -6.693 1.00 0.00 C ATOM 139 O ASP A 9 -3.189 0.145 -5.984 1.00 0.00 O ATOM 140 CB ASP A 9 -5.486 -1.188 -7.936 1.00 0.00 C ATOM 141 CG ASP A 9 -4.448 -2.313 -7.796 1.00 0.00 C ATOM 142 OD1 ASP A 9 -4.547 -3.114 -6.836 1.00 0.00 O ATOM 143 OD2 ASP A 9 -3.553 -2.422 -8.668 1.00 0.00 O ATOM 0 H ASP A 9 -7.216 0.511 -7.608 1.00 0.00 H new ATOM 0 HA ASP A 9 -5.504 -0.787 -5.822 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -6.482 -1.623 -8.017 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -5.302 -0.639 -8.859 1.00 0.00 H new ATOM 148 N LYS A 10 -4.017 1.700 -7.388 1.00 0.00 N ATOM 149 CA LYS A 10 -2.843 2.592 -7.343 1.00 0.00 C ATOM 150 C LYS A 10 -2.560 3.069 -5.908 1.00 0.00 C ATOM 151 O LYS A 10 -1.422 3.008 -5.439 1.00 0.00 O ATOM 152 CB LYS A 10 -3.051 3.806 -8.270 1.00 0.00 C ATOM 153 CG LYS A 10 -3.179 3.493 -9.770 1.00 0.00 C ATOM 154 CD LYS A 10 -2.026 2.634 -10.306 1.00 0.00 C ATOM 155 CE LYS A 10 -1.913 2.771 -11.830 1.00 0.00 C ATOM 156 NZ LYS A 10 -0.757 2.005 -12.366 1.00 0.00 N ATOM 0 H LYS A 10 -4.758 2.037 -8.003 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.981 2.023 -7.690 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.951 4.332 -7.951 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.215 4.491 -8.132 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.122 2.977 -9.948 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -3.217 4.428 -10.328 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -1.090 2.939 -9.838 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.190 1.590 -10.041 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.832 2.417 -12.297 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.806 3.823 -12.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.712 2.121 -13.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 0.123 2.360 -11.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.871 0.997 -12.136 1.00 0.00 H new ATOM 170 N TRP A 11 -3.604 3.506 -5.199 1.00 0.00 N ATOM 171 CA TRP A 11 -3.558 3.905 -3.787 1.00 0.00 C ATOM 172 C TRP A 11 -3.364 2.722 -2.827 1.00 0.00 C ATOM 173 O TRP A 11 -2.694 2.880 -1.809 1.00 0.00 O ATOM 174 CB TRP A 11 -4.838 4.672 -3.426 1.00 0.00 C ATOM 175 CG TRP A 11 -4.899 6.085 -3.921 1.00 0.00 C ATOM 176 CD1 TRP A 11 -5.280 6.480 -5.158 1.00 0.00 C ATOM 177 CD2 TRP A 11 -4.585 7.307 -3.184 1.00 0.00 C ATOM 178 NE1 TRP A 11 -5.213 7.861 -5.239 1.00 0.00 N ATOM 179 CE2 TRP A 11 -4.798 8.421 -4.050 1.00 0.00 C ATOM 180 CE3 TRP A 11 -4.149 7.588 -1.869 1.00 0.00 C ATOM 181 CZ2 TRP A 11 -4.593 9.746 -3.632 1.00 0.00 C ATOM 182 CZ3 TRP A 11 -3.943 8.913 -1.439 1.00 0.00 C ATOM 183 CH2 TRP A 11 -4.163 9.991 -2.316 1.00 0.00 C ATOM 0 H TRP A 11 -4.536 3.595 -5.604 1.00 0.00 H new ATOM 0 HA TRP A 11 -2.685 4.546 -3.667 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -5.693 4.127 -3.826 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -4.944 4.680 -2.341 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -5.588 5.822 -5.957 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -5.443 8.398 -6.076 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -3.971 6.773 -1.183 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -4.764 10.567 -4.313 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -3.614 9.103 -0.428 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -4.002 11.004 -1.979 1.00 0.00 H new ATOM 194 N ALA A 12 -3.887 1.532 -3.141 1.00 0.00 N ATOM 195 CA ALA A 12 -3.711 0.326 -2.326 1.00 0.00 C ATOM 196 C ALA A 12 -2.225 -0.042 -2.134 1.00 0.00 C ATOM 197 O ALA A 12 -1.822 -0.427 -1.034 1.00 0.00 O ATOM 198 CB ALA A 12 -4.505 -0.830 -2.947 1.00 0.00 C ATOM 0 H ALA A 12 -4.450 1.378 -3.977 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.099 0.528 -1.328 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -4.375 -1.727 -2.342 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -5.562 -0.567 -2.983 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -4.143 -1.018 -3.958 1.00 0.00 H new ATOM 204 N SER A 13 -1.401 0.127 -3.178 1.00 0.00 N ATOM 205 CA SER A 13 0.055 -0.078 -3.119 1.00 0.00 C ATOM 206 C SER A 13 0.711 0.854 -2.089 1.00 0.00 C ATOM 207 O SER A 13 1.443 0.396 -1.210 1.00 0.00 O ATOM 208 CB SER A 13 0.669 0.111 -4.512 1.00 0.00 C ATOM 209 OG SER A 13 1.994 -0.397 -4.532 1.00 0.00 O ATOM 0 H SER A 13 -1.731 0.414 -4.100 1.00 0.00 H new ATOM 0 HA SER A 13 0.246 -1.100 -2.792 1.00 0.00 H new ATOM 0 HB2 SER A 13 0.063 -0.402 -5.258 1.00 0.00 H new ATOM 0 HB3 SER A 13 0.672 1.168 -4.777 1.00 0.00 H new ATOM 0 HG SER A 13 2.378 -0.274 -5.425 1.00 0.00 H new ATOM 215 N LEU A 14 0.393 2.157 -2.137 1.00 0.00 N ATOM 216 CA LEU A 14 0.843 3.168 -1.167 1.00 0.00 C ATOM 217 C LEU A 14 0.373 2.850 0.264 1.00 0.00 C ATOM 218 O LEU A 14 1.149 2.973 1.214 1.00 0.00 O ATOM 219 CB LEU A 14 0.331 4.558 -1.599 1.00 0.00 C ATOM 220 CG LEU A 14 1.145 5.219 -2.725 1.00 0.00 C ATOM 221 CD1 LEU A 14 0.383 6.433 -3.261 1.00 0.00 C ATOM 222 CD2 LEU A 14 2.514 5.687 -2.219 1.00 0.00 C ATOM 0 H LEU A 14 -0.199 2.547 -2.870 1.00 0.00 H new ATOM 0 HA LEU A 14 1.933 3.160 -1.156 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.705 4.464 -1.925 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.334 5.218 -0.731 1.00 0.00 H new ATOM 0 HG LEU A 14 1.293 4.479 -3.512 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.960 6.901 -4.059 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.583 6.113 -3.651 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.229 7.151 -2.455 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.066 6.150 -3.037 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.377 6.413 -1.418 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.074 4.832 -1.842 1.00 0.00 H new ATOM 234 N TRP A 15 -0.883 2.416 0.424 1.00 0.00 N ATOM 235 CA TRP A 15 -1.472 2.047 1.716 1.00 0.00 C ATOM 236 C TRP A 15 -0.719 0.884 2.384 1.00 0.00 C ATOM 237 O TRP A 15 -0.375 0.957 3.566 1.00 0.00 O ATOM 238 CB TRP A 15 -2.966 1.726 1.547 1.00 0.00 C ATOM 239 CG TRP A 15 -3.814 2.196 2.686 1.00 0.00 C ATOM 240 CD1 TRP A 15 -4.145 1.487 3.790 1.00 0.00 C ATOM 241 CD2 TRP A 15 -4.425 3.512 2.852 1.00 0.00 C ATOM 242 NE1 TRP A 15 -4.926 2.272 4.622 1.00 0.00 N ATOM 243 CE2 TRP A 15 -5.132 3.529 4.091 1.00 0.00 C ATOM 244 CE3 TRP A 15 -4.444 4.693 2.080 1.00 0.00 C ATOM 245 CZ2 TRP A 15 -5.833 4.660 4.537 1.00 0.00 C ATOM 246 CZ3 TRP A 15 -5.149 5.834 2.515 1.00 0.00 C ATOM 247 CH2 TRP A 15 -5.843 5.819 3.739 1.00 0.00 C ATOM 0 H TRP A 15 -1.531 2.310 -0.357 1.00 0.00 H new ATOM 0 HA TRP A 15 -1.375 2.903 2.384 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -3.325 2.184 0.625 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -3.087 0.648 1.436 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -3.847 0.469 3.991 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -5.303 1.960 5.517 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -3.910 4.723 1.142 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -6.358 4.641 5.481 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -5.156 6.725 1.905 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -6.383 6.696 4.066 1.00 0.00 H new ATOM 258 N ASN A 16 -0.428 -0.179 1.624 1.00 0.00 N ATOM 259 CA ASN A 16 0.374 -1.314 2.089 1.00 0.00 C ATOM 260 C ASN A 16 1.833 -0.904 2.368 1.00 0.00 C ATOM 261 O ASN A 16 2.394 -1.291 3.395 1.00 0.00 O ATOM 262 CB ASN A 16 0.296 -2.471 1.069 1.00 0.00 C ATOM 263 CG ASN A 16 -0.404 -3.692 1.646 1.00 0.00 C ATOM 264 OD1 ASN A 16 0.007 -4.256 2.651 1.00 0.00 O ATOM 265 ND2 ASN A 16 -1.473 -4.150 1.036 1.00 0.00 N ATOM 0 H ASN A 16 -0.747 -0.275 0.660 1.00 0.00 H new ATOM 0 HA ASN A 16 -0.041 -1.660 3.036 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -0.236 -2.135 0.179 1.00 0.00 H new ATOM 0 HB3 ASN A 16 1.303 -2.745 0.754 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -1.956 -4.971 1.400 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -1.821 -3.684 0.198 1.00 0.00 H new ATOM 272 N TRP A 17 2.439 -0.097 1.487 1.00 0.00 N ATOM 273 CA TRP A 17 3.810 0.405 1.636 1.00 0.00 C ATOM 274 C TRP A 17 4.023 1.146 2.961 1.00 0.00 C ATOM 275 O TRP A 17 4.972 0.822 3.670 1.00 0.00 O ATOM 276 CB TRP A 17 4.202 1.287 0.443 1.00 0.00 C ATOM 277 CG TRP A 17 5.579 1.880 0.525 1.00 0.00 C ATOM 278 CD1 TRP A 17 6.731 1.177 0.620 1.00 0.00 C ATOM 279 CD2 TRP A 17 5.966 3.291 0.560 1.00 0.00 C ATOM 280 NE1 TRP A 17 7.803 2.048 0.694 1.00 0.00 N ATOM 281 CE2 TRP A 17 7.389 3.362 0.661 1.00 0.00 C ATOM 282 CE3 TRP A 17 5.267 4.519 0.523 1.00 0.00 C ATOM 283 CZ2 TRP A 17 8.084 4.580 0.711 1.00 0.00 C ATOM 284 CZ3 TRP A 17 5.954 5.749 0.576 1.00 0.00 C ATOM 285 CH2 TRP A 17 7.358 5.782 0.668 1.00 0.00 C ATOM 0 H TRP A 17 1.982 0.231 0.636 1.00 0.00 H new ATOM 0 HA TRP A 17 4.466 -0.465 1.654 1.00 0.00 H new ATOM 0 HB2 TRP A 17 4.131 0.694 -0.469 1.00 0.00 H new ATOM 0 HB3 TRP A 17 3.478 2.097 0.354 1.00 0.00 H new ATOM 0 HD1 TRP A 17 6.803 0.099 0.636 1.00 0.00 H new ATOM 0 HE1 TRP A 17 8.777 1.755 0.764 1.00 0.00 H new ATOM 0 HE3 TRP A 17 4.189 4.515 0.453 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 9.162 4.593 0.782 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 5.398 6.674 0.546 1.00 0.00 H new ATOM 0 HH2 TRP A 17 7.876 6.729 0.705 1.00 0.00 H new ATOM 296 N PHE A 18 3.119 2.057 3.349 1.00 0.00 N ATOM 297 CA PHE A 18 3.173 2.763 4.639 1.00 0.00 C ATOM 298 C PHE A 18 3.362 1.812 5.835 1.00 0.00 C ATOM 299 O PHE A 18 4.182 2.070 6.721 1.00 0.00 O ATOM 300 CB PHE A 18 1.899 3.603 4.821 1.00 0.00 C ATOM 301 CG PHE A 18 1.821 4.304 6.168 1.00 0.00 C ATOM 302 CD1 PHE A 18 2.503 5.518 6.371 1.00 0.00 C ATOM 303 CD2 PHE A 18 1.107 3.718 7.234 1.00 0.00 C ATOM 304 CE1 PHE A 18 2.472 6.144 7.632 1.00 0.00 C ATOM 305 CE2 PHE A 18 1.081 4.343 8.496 1.00 0.00 C ATOM 306 CZ PHE A 18 1.764 5.555 8.694 1.00 0.00 C ATOM 0 H PHE A 18 2.323 2.327 2.772 1.00 0.00 H new ATOM 0 HA PHE A 18 4.048 3.412 4.617 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.850 4.350 4.029 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.028 2.958 4.705 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.051 5.971 5.558 1.00 0.00 H new ATOM 0 HD2 PHE A 18 0.579 2.788 7.082 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.993 7.078 7.783 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.536 3.891 9.311 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.745 6.034 9.662 1.00 0.00 H new ATOM 316 N ASN A 19 2.630 0.690 5.846 1.00 0.00 N ATOM 317 CA ASN A 19 2.737 -0.337 6.880 1.00 0.00 C ATOM 318 C ASN A 19 4.164 -0.916 6.950 1.00 0.00 C ATOM 319 O ASN A 19 4.729 -1.019 8.038 1.00 0.00 O ATOM 320 CB ASN A 19 1.653 -1.413 6.646 1.00 0.00 C ATOM 321 CG ASN A 19 1.008 -1.881 7.943 1.00 0.00 C ATOM 322 OD1 ASN A 19 0.595 -1.093 8.784 1.00 0.00 O ATOM 323 ND2 ASN A 19 0.857 -3.170 8.147 1.00 0.00 N ATOM 0 H ASN A 19 1.940 0.472 5.127 1.00 0.00 H new ATOM 0 HA ASN A 19 2.555 0.107 7.859 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.884 -1.012 5.985 1.00 0.00 H new ATOM 0 HB3 ASN A 19 2.098 -2.268 6.136 1.00 0.00 H new ATOM 0 HD21 ASN A 19 0.401 -3.502 8.997 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.196 -3.839 7.456 1.00 0.00 H new ATOM 330 N ILE A 20 4.773 -1.235 5.800 1.00 0.00 N ATOM 331 CA ILE A 20 6.169 -1.698 5.687 1.00 0.00 C ATOM 332 C ILE A 20 7.149 -0.620 6.182 1.00 0.00 C ATOM 333 O ILE A 20 8.045 -0.928 6.970 1.00 0.00 O ATOM 334 CB ILE A 20 6.505 -2.139 4.243 1.00 0.00 C ATOM 335 CG1 ILE A 20 5.552 -3.236 3.715 1.00 0.00 C ATOM 336 CG2 ILE A 20 7.966 -2.609 4.115 1.00 0.00 C ATOM 337 CD1 ILE A 20 5.494 -4.529 4.540 1.00 0.00 C ATOM 0 H ILE A 20 4.300 -1.178 4.898 1.00 0.00 H new ATOM 0 HA ILE A 20 6.280 -2.572 6.329 1.00 0.00 H new ATOM 0 HB ILE A 20 6.365 -1.252 3.625 1.00 0.00 H new ATOM 0 HG12 ILE A 20 4.546 -2.819 3.658 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.850 -3.490 2.698 1.00 0.00 H new ATOM 0 HG21 ILE A 20 8.162 -2.910 3.086 1.00 0.00 H new ATOM 0 HG22 ILE A 20 8.636 -1.794 4.389 1.00 0.00 H new ATOM 0 HG23 ILE A 20 8.135 -3.456 4.780 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.795 -5.225 4.077 1.00 0.00 H new ATOM 0 HD12 ILE A 20 6.485 -4.981 4.578 1.00 0.00 H new ATOM 0 HD13 ILE A 20 5.161 -4.300 5.552 1.00 0.00 H new ATOM 349 N THR A 21 6.976 0.643 5.770 1.00 0.00 N ATOM 350 CA THR A 21 7.847 1.771 6.158 1.00 0.00 C ATOM 351 C THR A 21 7.908 1.954 7.679 1.00 0.00 C ATOM 352 O THR A 21 8.989 2.158 8.236 1.00 0.00 O ATOM 353 CB THR A 21 7.413 3.098 5.498 1.00 0.00 C ATOM 354 OG1 THR A 21 6.987 2.903 4.167 1.00 0.00 O ATOM 355 CG2 THR A 21 8.551 4.127 5.450 1.00 0.00 C ATOM 0 H THR A 21 6.216 0.919 5.148 1.00 0.00 H new ATOM 0 HA THR A 21 8.842 1.514 5.796 1.00 0.00 H new ATOM 0 HB THR A 21 6.597 3.469 6.118 1.00 0.00 H new ATOM 0 HG1 THR A 21 6.718 3.762 3.780 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.194 5.042 4.977 1.00 0.00 H new ATOM 0 HG22 THR A 21 8.884 4.349 6.464 1.00 0.00 H new ATOM 0 HG23 THR A 21 9.384 3.722 4.875 1.00 0.00 H new ATOM 363 N ASN A 22 6.767 1.841 8.368 1.00 0.00 N ATOM 364 CA ASN A 22 6.689 1.885 9.831 1.00 0.00 C ATOM 365 C ASN A 22 7.227 0.593 10.479 1.00 0.00 C ATOM 366 O ASN A 22 7.968 0.663 11.462 1.00 0.00 O ATOM 367 CB ASN A 22 5.238 2.176 10.260 1.00 0.00 C ATOM 368 CG ASN A 22 4.929 3.667 10.282 1.00 0.00 C ATOM 369 OD1 ASN A 22 5.270 4.426 9.385 1.00 0.00 O ATOM 370 ND2 ASN A 22 4.293 4.150 11.327 1.00 0.00 N ATOM 0 H ASN A 22 5.860 1.715 7.918 1.00 0.00 H new ATOM 0 HA ASN A 22 7.330 2.692 10.187 1.00 0.00 H new ATOM 0 HB2 ASN A 22 4.552 1.675 9.577 1.00 0.00 H new ATOM 0 HB3 ASN A 22 5.063 1.757 11.251 1.00 0.00 H new ATOM 0 HD21 ASN A 22 4.089 5.148 11.383 1.00 0.00 H new ATOM 0 HD22 ASN A 22 4.004 3.527 12.081 1.00 0.00 H new ATOM 377 N TRP A 23 6.896 -0.585 9.937 1.00 0.00 N ATOM 378 CA TRP A 23 7.353 -1.886 10.449 1.00 0.00 C ATOM 379 C TRP A 23 8.880 -2.053 10.403 1.00 0.00 C ATOM 380 O TRP A 23 9.451 -2.678 11.296 1.00 0.00 O ATOM 381 CB TRP A 23 6.651 -3.016 9.689 1.00 0.00 C ATOM 382 CG TRP A 23 6.854 -4.401 10.230 1.00 0.00 C ATOM 383 CD1 TRP A 23 6.648 -4.779 11.514 1.00 0.00 C ATOM 384 CD2 TRP A 23 7.267 -5.608 9.517 1.00 0.00 C ATOM 385 NE1 TRP A 23 6.898 -6.133 11.643 1.00 0.00 N ATOM 386 CE2 TRP A 23 7.266 -6.697 10.441 1.00 0.00 C ATOM 387 CE3 TRP A 23 7.627 -5.902 8.182 1.00 0.00 C ATOM 388 CZ2 TRP A 23 7.591 -8.008 10.062 1.00 0.00 C ATOM 389 CZ3 TRP A 23 7.967 -7.213 7.792 1.00 0.00 C ATOM 390 CH2 TRP A 23 7.947 -8.265 8.726 1.00 0.00 C ATOM 0 H TRP A 23 6.294 -0.664 9.118 1.00 0.00 H new ATOM 0 HA TRP A 23 7.082 -1.932 11.504 1.00 0.00 H new ATOM 0 HB2 TRP A 23 5.581 -2.807 9.674 1.00 0.00 H new ATOM 0 HB3 TRP A 23 6.994 -2.998 8.654 1.00 0.00 H new ATOM 0 HD1 TRP A 23 6.336 -4.124 12.314 1.00 0.00 H new ATOM 0 HE1 TRP A 23 6.820 -6.650 12.519 1.00 0.00 H new ATOM 0 HE3 TRP A 23 7.642 -5.109 7.449 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 7.568 -8.809 10.786 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 8.245 -7.412 6.768 1.00 0.00 H new ATOM 0 HH2 TRP A 23 8.204 -9.268 8.418 1.00 0.00 H new ATOM 401 N LEU A 24 9.562 -1.432 9.430 1.00 0.00 N ATOM 402 CA LEU A 24 11.028 -1.409 9.315 1.00 0.00 C ATOM 403 C LEU A 24 11.715 -0.974 10.624 1.00 0.00 C ATOM 404 O LEU A 24 12.737 -1.540 11.013 1.00 0.00 O ATOM 405 CB LEU A 24 11.450 -0.461 8.164 1.00 0.00 C ATOM 406 CG LEU A 24 12.242 -1.153 7.035 1.00 0.00 C ATOM 407 CD1 LEU A 24 11.352 -1.390 5.815 1.00 0.00 C ATOM 408 CD2 LEU A 24 13.435 -0.298 6.605 1.00 0.00 C ATOM 0 H LEU A 24 9.097 -0.918 8.681 1.00 0.00 H new ATOM 0 HA LEU A 24 11.351 -2.428 9.101 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.557 -0.004 7.739 1.00 0.00 H new ATOM 0 HB3 LEU A 24 12.056 0.346 8.576 1.00 0.00 H new ATOM 0 HG LEU A 24 12.595 -2.108 7.424 1.00 0.00 H new ATOM 0 HD11 LEU A 24 11.931 -1.879 5.032 1.00 0.00 H new ATOM 0 HD12 LEU A 24 10.512 -2.025 6.095 1.00 0.00 H new ATOM 0 HD13 LEU A 24 10.977 -0.435 5.447 1.00 0.00 H new ATOM 0 HD21 LEU A 24 13.978 -0.806 5.808 1.00 0.00 H new ATOM 0 HD22 LEU A 24 13.080 0.667 6.244 1.00 0.00 H new ATOM 0 HD23 LEU A 24 14.098 -0.145 7.456 1.00 0.00 H new ATOM 420 N TRP A 25 11.128 0.005 11.321 1.00 0.00 N ATOM 421 CA TRP A 25 11.591 0.513 12.620 1.00 0.00 C ATOM 422 C TRP A 25 11.555 -0.564 13.720 1.00 0.00 C ATOM 423 O TRP A 25 12.418 -0.590 14.595 1.00 0.00 O ATOM 424 CB TRP A 25 10.736 1.734 13.014 1.00 0.00 C ATOM 425 CG TRP A 25 11.504 2.918 13.520 1.00 0.00 C ATOM 426 CD1 TRP A 25 11.785 4.021 12.789 1.00 0.00 C ATOM 427 CD2 TRP A 25 12.094 3.150 14.839 1.00 0.00 C ATOM 428 NE1 TRP A 25 12.511 4.914 13.554 1.00 0.00 N ATOM 429 CE2 TRP A 25 12.739 4.424 14.823 1.00 0.00 C ATOM 430 CE3 TRP A 25 12.155 2.421 16.049 1.00 0.00 C ATOM 431 CZ2 TRP A 25 13.421 4.939 15.935 1.00 0.00 C ATOM 432 CZ3 TRP A 25 12.840 2.927 17.172 1.00 0.00 C ATOM 433 CH2 TRP A 25 13.475 4.181 17.117 1.00 0.00 C ATOM 0 H TRP A 25 10.290 0.482 10.987 1.00 0.00 H new ATOM 0 HA TRP A 25 12.635 0.809 12.519 1.00 0.00 H new ATOM 0 HB2 TRP A 25 10.153 2.044 12.147 1.00 0.00 H new ATOM 0 HB3 TRP A 25 10.026 1.427 13.782 1.00 0.00 H new ATOM 0 HD1 TRP A 25 11.487 4.180 11.763 1.00 0.00 H new ATOM 0 HE1 TRP A 25 12.837 5.822 13.222 1.00 0.00 H new ATOM 0 HE3 TRP A 25 11.668 1.459 16.114 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 13.899 5.906 15.884 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 12.878 2.347 18.082 1.00 0.00 H new ATOM 0 HH2 TRP A 25 14.002 4.560 17.980 1.00 0.00 H new ATOM 444 N TYR A 26 10.564 -1.462 13.670 1.00 0.00 N ATOM 445 CA TYR A 26 10.414 -2.618 14.561 1.00 0.00 C ATOM 446 C TYR A 26 11.432 -3.739 14.270 1.00 0.00 C ATOM 447 O TYR A 26 11.913 -4.398 15.196 1.00 0.00 O ATOM 448 CB TYR A 26 8.974 -3.155 14.461 1.00 0.00 C ATOM 449 CG TYR A 26 8.360 -3.484 15.807 1.00 0.00 C ATOM 450 CD1 TYR A 26 8.578 -4.741 16.404 1.00 0.00 C ATOM 451 CD2 TYR A 26 7.582 -2.515 16.470 1.00 0.00 C ATOM 452 CE1 TYR A 26 8.012 -5.030 17.662 1.00 0.00 C ATOM 453 CE2 TYR A 26 7.013 -2.800 17.726 1.00 0.00 C ATOM 454 CZ TYR A 26 7.226 -4.061 18.326 1.00 0.00 C ATOM 455 OH TYR A 26 6.681 -4.348 19.540 1.00 0.00 O ATOM 0 H TYR A 26 9.815 -1.401 12.980 1.00 0.00 H new ATOM 0 HA TYR A 26 10.618 -2.279 15.577 1.00 0.00 H new ATOM 0 HB2 TYR A 26 8.352 -2.415 13.957 1.00 0.00 H new ATOM 0 HB3 TYR A 26 8.970 -4.050 13.840 1.00 0.00 H new ATOM 0 HD1 TYR A 26 9.178 -5.483 15.898 1.00 0.00 H new ATOM 0 HD2 TYR A 26 7.421 -1.550 16.013 1.00 0.00 H new ATOM 0 HE1 TYR A 26 8.179 -5.994 18.120 1.00 0.00 H new ATOM 0 HE2 TYR A 26 6.415 -2.056 18.230 1.00 0.00 H new ATOM 0 HH TYR A 26 6.171 -3.575 19.861 1.00 0.00 H new ATOM 465 N ILE A 27 11.757 -3.965 12.989 1.00 0.00 N ATOM 466 CA ILE A 27 12.769 -4.937 12.536 1.00 0.00 C ATOM 467 C ILE A 27 14.189 -4.512 12.953 1.00 0.00 C ATOM 468 O ILE A 27 14.932 -5.323 13.519 1.00 0.00 O ATOM 469 CB ILE A 27 12.690 -5.143 11.003 1.00 0.00 C ATOM 470 CG1 ILE A 27 11.305 -5.622 10.518 1.00 0.00 C ATOM 471 CG2 ILE A 27 13.768 -6.121 10.494 1.00 0.00 C ATOM 472 CD1 ILE A 27 10.772 -6.910 11.166 1.00 0.00 C ATOM 0 H ILE A 27 11.314 -3.466 12.218 1.00 0.00 H new ATOM 0 HA ILE A 27 12.550 -5.887 13.024 1.00 0.00 H new ATOM 0 HB ILE A 27 12.869 -4.154 10.582 1.00 0.00 H new ATOM 0 HG12 ILE A 27 10.584 -4.824 10.696 1.00 0.00 H new ATOM 0 HG13 ILE A 27 11.352 -5.774 9.440 1.00 0.00 H new ATOM 0 HG21 ILE A 27 13.675 -6.235 9.414 1.00 0.00 H new ATOM 0 HG22 ILE A 27 14.757 -5.730 10.734 1.00 0.00 H new ATOM 0 HG23 ILE A 27 13.636 -7.091 10.974 1.00 0.00 H new ATOM 0 HD11 ILE A 27 9.794 -7.149 10.749 1.00 0.00 H new ATOM 0 HD12 ILE A 27 11.462 -7.730 10.967 1.00 0.00 H new ATOM 0 HD13 ILE A 27 10.682 -6.765 12.243 1.00 0.00 H new ATOM 484 N LYS A 28 14.576 -3.263 12.649 1.00 0.00 N ATOM 485 CA LYS A 28 15.883 -2.666 13.005 1.00 0.00 C ATOM 486 C LYS A 28 15.964 -2.168 14.469 1.00 0.00 C ATOM 487 O LYS A 28 16.881 -1.375 14.787 1.00 0.00 O ATOM 488 CB LYS A 28 16.247 -1.566 11.985 1.00 0.00 C ATOM 489 CG LYS A 28 16.329 -2.094 10.538 1.00 0.00 C ATOM 490 CD LYS A 28 17.325 -1.309 9.672 1.00 0.00 C ATOM 491 CE LYS A 28 17.015 0.194 9.610 1.00 0.00 C ATOM 492 NZ LYS A 28 17.983 0.912 8.740 1.00 0.00 N ATOM 493 OXT LYS A 28 15.157 -2.605 15.321 1.00 0.00 O ATOM 0 H LYS A 28 13.975 -2.619 12.135 1.00 0.00 H new ATOM 0 HA LYS A 28 16.630 -3.458 12.950 1.00 0.00 H new ATOM 0 HB2 LYS A 28 15.503 -0.771 12.035 1.00 0.00 H new ATOM 0 HB3 LYS A 28 17.205 -1.125 12.260 1.00 0.00 H new ATOM 0 HG2 LYS A 28 16.620 -3.144 10.556 1.00 0.00 H new ATOM 0 HG3 LYS A 28 15.340 -2.044 10.082 1.00 0.00 H new ATOM 0 HD2 LYS A 28 18.331 -1.450 10.067 1.00 0.00 H new ATOM 0 HD3 LYS A 28 17.319 -1.717 8.661 1.00 0.00 H new ATOM 0 HE2 LYS A 28 16.004 0.343 9.232 1.00 0.00 H new ATOM 0 HE3 LYS A 28 17.045 0.615 10.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 17.746 1.925 8.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 18.945 0.789 9.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 17.936 0.526 7.776 1.00 0.00 H new TER 507 LYS A 28