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= -0.0128 K(o=-0.013,f=-0.72) USER MOD Single : A 1 ASN N :NH3+ -178:sc= 0 (180deg=-0.0198) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 59:sc= 0.163 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 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 -13.557 -9.888 -11.830 1.00 0.00 N ATOM 2 CA ASN A 1 -13.266 -8.507 -12.297 1.00 0.00 C ATOM 3 C ASN A 1 -12.529 -7.724 -11.203 1.00 0.00 C ATOM 4 O ASN A 1 -13.163 -7.098 -10.355 1.00 0.00 O ATOM 5 CB ASN A 1 -14.545 -7.758 -12.759 1.00 0.00 C ATOM 6 CG ASN A 1 -15.306 -8.467 -13.879 1.00 0.00 C ATOM 7 OD1 ASN A 1 -14.775 -9.314 -14.586 1.00 0.00 O ATOM 8 ND2 ASN A 1 -16.578 -8.173 -14.065 1.00 0.00 N ATOM 0 H1 ASN A 1 -14.026 -10.420 -12.591 1.00 0.00 H new ATOM 0 H2 ASN A 1 -12.668 -10.362 -11.573 1.00 0.00 H new ATOM 0 H3 ASN A 1 -14.181 -9.849 -10.999 1.00 0.00 H new ATOM 0 HA ASN A 1 -12.620 -8.584 -13.172 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -15.210 -7.632 -11.904 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -14.268 -6.759 -13.097 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -17.111 -8.650 -14.793 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -17.029 -7.469 -13.481 1.00 0.00 H new ATOM 17 N GLU A 2 -11.190 -7.751 -11.201 1.00 0.00 N ATOM 18 CA GLU A 2 -10.355 -7.044 -10.202 1.00 0.00 C ATOM 19 C GLU A 2 -9.406 -6.006 -10.831 1.00 0.00 C ATOM 20 O GLU A 2 -9.149 -4.961 -10.231 1.00 0.00 O ATOM 21 CB GLU A 2 -9.581 -8.069 -9.353 1.00 0.00 C ATOM 22 CG GLU A 2 -9.414 -7.599 -7.901 1.00 0.00 C ATOM 23 CD GLU A 2 -8.523 -8.566 -7.097 1.00 0.00 C ATOM 24 OE1 GLU A 2 -7.275 -8.501 -7.224 1.00 0.00 O ATOM 25 OE2 GLU A 2 -9.061 -9.397 -6.323 1.00 0.00 O ATOM 0 H GLU A 2 -10.646 -8.265 -11.894 1.00 0.00 H new ATOM 0 HA GLU A 2 -11.027 -6.476 -9.559 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -10.107 -9.024 -9.368 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -8.599 -8.239 -9.795 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -8.975 -6.601 -7.888 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -10.392 -7.523 -7.426 1.00 0.00 H new ATOM 32 N GLN A 3 -8.946 -6.231 -12.069 1.00 0.00 N ATOM 33 CA GLN A 3 -8.084 -5.290 -12.805 1.00 0.00 C ATOM 34 C GLN A 3 -8.768 -3.928 -13.052 1.00 0.00 C ATOM 35 O GLN A 3 -8.105 -2.892 -13.103 1.00 0.00 O ATOM 36 CB GLN A 3 -7.608 -5.903 -14.135 1.00 0.00 C ATOM 37 CG GLN A 3 -6.867 -7.240 -13.940 1.00 0.00 C ATOM 38 CD GLN A 3 -6.059 -7.665 -15.168 1.00 0.00 C ATOM 39 OE1 GLN A 3 -6.378 -7.366 -16.314 1.00 0.00 O ATOM 40 NE2 GLN A 3 -4.975 -8.392 -14.982 1.00 0.00 N ATOM 0 H GLN A 3 -9.162 -7.078 -12.594 1.00 0.00 H new ATOM 0 HA GLN A 3 -7.216 -5.103 -12.172 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -8.468 -6.060 -14.787 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -6.949 -5.197 -14.641 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -6.198 -7.156 -13.084 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -7.592 -8.019 -13.702 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -4.691 -8.652 -14.037 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -4.420 -8.694 -15.783 1.00 0.00 H new ATOM 49 N GLU A 4 -10.101 -3.918 -13.149 1.00 0.00 N ATOM 50 CA GLU A 4 -10.929 -2.709 -13.276 1.00 0.00 C ATOM 51 C GLU A 4 -10.939 -1.854 -11.994 1.00 0.00 C ATOM 52 O GLU A 4 -11.139 -0.642 -12.066 1.00 0.00 O ATOM 53 CB GLU A 4 -12.376 -3.111 -13.615 1.00 0.00 C ATOM 54 CG GLU A 4 -12.543 -3.815 -14.972 1.00 0.00 C ATOM 55 CD GLU A 4 -12.161 -2.929 -16.178 1.00 0.00 C ATOM 56 OE1 GLU A 4 -12.544 -1.734 -16.220 1.00 0.00 O ATOM 57 OE2 GLU A 4 -11.495 -3.433 -17.115 1.00 0.00 O ATOM 0 H GLU A 4 -10.653 -4.776 -13.141 1.00 0.00 H new ATOM 0 HA GLU A 4 -10.492 -2.107 -14.072 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -12.750 -3.769 -12.831 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -13.000 -2.217 -13.605 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -11.928 -4.715 -14.983 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -13.579 -4.136 -15.081 1.00 0.00 H new ATOM 64 N LEU A 5 -10.724 -2.465 -10.819 1.00 0.00 N ATOM 65 CA LEU A 5 -10.597 -1.788 -9.518 1.00 0.00 C ATOM 66 C LEU A 5 -9.136 -1.408 -9.203 1.00 0.00 C ATOM 67 O LEU A 5 -8.884 -0.419 -8.511 1.00 0.00 O ATOM 68 CB LEU A 5 -11.222 -2.688 -8.428 1.00 0.00 C ATOM 69 CG LEU A 5 -12.111 -1.931 -7.422 1.00 0.00 C ATOM 70 CD1 LEU A 5 -12.855 -2.932 -6.536 1.00 0.00 C ATOM 71 CD2 LEU A 5 -11.334 -0.983 -6.508 1.00 0.00 C ATOM 0 H LEU A 5 -10.631 -3.478 -10.745 1.00 0.00 H new ATOM 0 HA LEU A 5 -11.139 -0.843 -9.549 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -11.816 -3.464 -8.910 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -10.422 -3.190 -7.884 1.00 0.00 H new ATOM 0 HG LEU A 5 -12.795 -1.330 -8.021 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -13.482 -2.393 -5.826 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -13.479 -3.574 -7.157 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -12.134 -3.543 -5.992 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -12.025 -0.486 -5.828 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -10.603 -1.551 -5.932 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -10.819 -0.236 -7.112 1.00 0.00 H new ATOM 83 N LEU A 6 -8.159 -2.140 -9.758 1.00 0.00 N ATOM 84 CA LEU A 6 -6.720 -1.890 -9.581 1.00 0.00 C ATOM 85 C LEU A 6 -6.304 -0.447 -9.911 1.00 0.00 C ATOM 86 O LEU A 6 -5.399 0.085 -9.275 1.00 0.00 O ATOM 87 CB LEU A 6 -5.888 -2.882 -10.421 1.00 0.00 C ATOM 88 CG LEU A 6 -4.902 -3.712 -9.579 1.00 0.00 C ATOM 89 CD1 LEU A 6 -5.603 -4.928 -8.973 1.00 0.00 C ATOM 90 CD2 LEU A 6 -3.740 -4.206 -10.443 1.00 0.00 C ATOM 0 H LEU A 6 -8.352 -2.942 -10.357 1.00 0.00 H new ATOM 0 HA LEU A 6 -6.517 -2.042 -8.521 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -6.563 -3.556 -10.948 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.333 -2.330 -11.179 1.00 0.00 H new ATOM 0 HG LEU A 6 -4.525 -3.068 -8.784 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -4.890 -5.502 -8.382 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -6.420 -4.595 -8.333 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -6.000 -5.555 -9.772 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.054 -4.791 -9.830 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -4.126 -4.829 -11.250 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.211 -3.351 -10.865 1.00 0.00 H new ATOM 102 N GLU A 7 -6.987 0.203 -10.859 1.00 0.00 N ATOM 103 CA GLU A 7 -6.787 1.615 -11.230 1.00 0.00 C ATOM 104 C GLU A 7 -6.882 2.585 -10.035 1.00 0.00 C ATOM 105 O GLU A 7 -6.161 3.584 -9.987 1.00 0.00 O ATOM 106 CB GLU A 7 -7.778 2.003 -12.347 1.00 0.00 C ATOM 107 CG GLU A 7 -9.239 2.141 -11.873 1.00 0.00 C ATOM 108 CD GLU A 7 -10.245 2.417 -13.015 1.00 0.00 C ATOM 109 OE1 GLU A 7 -9.988 2.062 -14.193 1.00 0.00 O ATOM 110 OE2 GLU A 7 -11.308 3.028 -12.742 1.00 0.00 O ATOM 0 H GLU A 7 -7.718 -0.250 -11.408 1.00 0.00 H new ATOM 0 HA GLU A 7 -5.765 1.710 -11.598 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -7.460 2.948 -12.788 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.733 1.252 -13.135 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -9.531 1.226 -11.358 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.300 2.950 -11.145 1.00 0.00 H new ATOM 117 N LEU A 8 -7.745 2.273 -9.060 1.00 0.00 N ATOM 118 CA LEU A 8 -7.945 3.020 -7.814 1.00 0.00 C ATOM 119 C LEU A 8 -7.071 2.466 -6.676 1.00 0.00 C ATOM 120 O LEU A 8 -6.640 3.213 -5.796 1.00 0.00 O ATOM 121 CB LEU A 8 -9.447 2.976 -7.448 1.00 0.00 C ATOM 122 CG LEU A 8 -10.049 4.370 -7.199 1.00 0.00 C ATOM 123 CD1 LEU A 8 -11.565 4.273 -7.000 1.00 0.00 C ATOM 124 CD2 LEU A 8 -9.454 5.059 -5.969 1.00 0.00 C ATOM 0 H LEU A 8 -8.351 1.455 -9.122 1.00 0.00 H new ATOM 0 HA LEU A 8 -7.638 4.055 -7.960 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -9.997 2.488 -8.253 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -9.579 2.365 -6.555 1.00 0.00 H new ATOM 0 HG LEU A 8 -9.810 4.963 -8.081 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -11.973 5.268 -6.825 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -12.022 3.845 -7.892 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -11.779 3.637 -6.141 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -9.915 6.038 -5.842 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -9.643 4.451 -5.084 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -8.379 5.179 -6.104 1.00 0.00 H new ATOM 136 N ASP A 9 -6.750 1.169 -6.719 1.00 0.00 N ATOM 137 CA ASP A 9 -5.853 0.510 -5.765 1.00 0.00 C ATOM 138 C ASP A 9 -4.448 1.145 -5.726 1.00 0.00 C ATOM 139 O ASP A 9 -3.821 1.146 -4.670 1.00 0.00 O ATOM 140 CB ASP A 9 -5.786 -0.996 -6.058 1.00 0.00 C ATOM 141 CG ASP A 9 -5.207 -1.796 -4.878 1.00 0.00 C ATOM 142 OD1 ASP A 9 -5.814 -1.780 -3.780 1.00 0.00 O ATOM 143 OD2 ASP A 9 -4.178 -2.489 -5.062 1.00 0.00 O ATOM 0 H ASP A 9 -7.113 0.536 -7.432 1.00 0.00 H new ATOM 0 HA ASP A 9 -6.271 0.656 -4.769 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -6.786 -1.364 -6.287 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -5.173 -1.165 -6.944 1.00 0.00 H new ATOM 148 N LYS A 10 -3.972 1.756 -6.827 1.00 0.00 N ATOM 149 CA LYS A 10 -2.687 2.492 -6.875 1.00 0.00 C ATOM 150 C LYS A 10 -2.612 3.589 -5.806 1.00 0.00 C ATOM 151 O LYS A 10 -1.614 3.690 -5.090 1.00 0.00 O ATOM 152 CB LYS A 10 -2.435 3.084 -8.279 1.00 0.00 C ATOM 153 CG LYS A 10 -1.692 2.108 -9.216 1.00 0.00 C ATOM 154 CD LYS A 10 -2.520 1.588 -10.398 1.00 0.00 C ATOM 155 CE LYS A 10 -2.509 2.560 -11.589 1.00 0.00 C ATOM 156 NZ LYS A 10 -2.158 1.872 -12.861 1.00 0.00 N ATOM 0 H LYS A 10 -4.470 1.755 -7.717 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.900 1.769 -6.659 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.389 3.357 -8.730 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.854 4.001 -8.183 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.804 2.606 -9.605 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.348 1.256 -8.630 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -2.128 0.622 -10.716 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.548 1.424 -10.075 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.489 3.026 -11.687 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.793 3.360 -11.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.161 2.561 -13.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.212 1.448 -12.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.855 1.125 -13.056 1.00 0.00 H new ATOM 170 N TRP A 11 -3.662 4.403 -5.677 1.00 0.00 N ATOM 171 CA TRP A 11 -3.766 5.428 -4.625 1.00 0.00 C ATOM 172 C TRP A 11 -3.895 4.808 -3.218 1.00 0.00 C ATOM 173 O TRP A 11 -3.353 5.355 -2.258 1.00 0.00 O ATOM 174 CB TRP A 11 -4.923 6.395 -4.930 1.00 0.00 C ATOM 175 CG TRP A 11 -4.566 7.597 -5.762 1.00 0.00 C ATOM 176 CD1 TRP A 11 -3.710 7.615 -6.812 1.00 0.00 C ATOM 177 CD2 TRP A 11 -5.028 8.976 -5.603 1.00 0.00 C ATOM 178 NE1 TRP A 11 -3.597 8.906 -7.297 1.00 0.00 N ATOM 179 CE2 TRP A 11 -4.383 9.787 -6.585 1.00 0.00 C ATOM 180 CE3 TRP A 11 -5.920 9.632 -4.722 1.00 0.00 C ATOM 181 CZ2 TRP A 11 -4.597 11.171 -6.682 1.00 0.00 C ATOM 182 CZ3 TRP A 11 -6.149 11.020 -4.814 1.00 0.00 C ATOM 183 CH2 TRP A 11 -5.488 11.790 -5.789 1.00 0.00 C ATOM 0 H TRP A 11 -4.469 4.373 -6.300 1.00 0.00 H new ATOM 0 HA TRP A 11 -2.837 5.998 -4.624 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -5.709 5.841 -5.443 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -5.342 6.741 -3.985 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -3.195 6.753 -7.210 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -3.005 9.173 -8.084 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -6.435 9.059 -3.965 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -4.083 11.753 -7.433 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -6.837 11.496 -4.131 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -5.665 12.854 -5.851 1.00 0.00 H new ATOM 194 N ALA A 12 -4.555 3.653 -3.081 1.00 0.00 N ATOM 195 CA ALA A 12 -4.647 2.925 -1.808 1.00 0.00 C ATOM 196 C ALA A 12 -3.306 2.291 -1.363 1.00 0.00 C ATOM 197 O ALA A 12 -3.051 2.186 -0.161 1.00 0.00 O ATOM 198 CB ALA A 12 -5.770 1.884 -1.907 1.00 0.00 C ATOM 0 H ALA A 12 -5.042 3.194 -3.851 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.886 3.645 -1.026 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.845 1.339 -0.966 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -6.715 2.387 -2.111 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -5.549 1.186 -2.714 1.00 0.00 H new ATOM 204 N SER A 13 -2.410 1.926 -2.292 1.00 0.00 N ATOM 205 CA SER A 13 -1.062 1.412 -1.983 1.00 0.00 C ATOM 206 C SER A 13 -0.231 2.412 -1.169 1.00 0.00 C ATOM 207 O SER A 13 0.485 2.011 -0.250 1.00 0.00 O ATOM 208 CB SER A 13 -0.288 1.043 -3.256 1.00 0.00 C ATOM 209 OG SER A 13 -0.942 0.029 -4.001 1.00 0.00 O ATOM 0 H SER A 13 -2.601 1.979 -3.293 1.00 0.00 H new ATOM 0 HA SER A 13 -1.218 0.515 -1.383 1.00 0.00 H new ATOM 0 HB2 SER A 13 -0.169 1.930 -3.878 1.00 0.00 H new ATOM 0 HB3 SER A 13 0.713 0.706 -2.987 1.00 0.00 H new ATOM 0 HG SER A 13 -1.841 0.332 -4.248 1.00 0.00 H new ATOM 215 N LEU A 14 -0.352 3.717 -1.454 1.00 0.00 N ATOM 216 CA LEU A 14 0.304 4.783 -0.682 1.00 0.00 C ATOM 217 C LEU A 14 -0.172 4.807 0.778 1.00 0.00 C ATOM 218 O LEU A 14 0.630 5.041 1.678 1.00 0.00 O ATOM 219 CB LEU A 14 0.052 6.155 -1.343 1.00 0.00 C ATOM 220 CG LEU A 14 1.061 6.510 -2.448 1.00 0.00 C ATOM 221 CD1 LEU A 14 0.556 7.722 -3.232 1.00 0.00 C ATOM 222 CD2 LEU A 14 2.431 6.868 -1.860 1.00 0.00 C ATOM 0 H LEU A 14 -0.912 4.065 -2.232 1.00 0.00 H new ATOM 0 HA LEU A 14 1.374 4.574 -0.679 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.953 6.164 -1.766 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.082 6.928 -0.575 1.00 0.00 H new ATOM 0 HG LEU A 14 1.163 5.638 -3.094 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.272 7.973 -4.015 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.408 7.487 -3.683 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.444 8.571 -2.557 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.121 7.114 -2.668 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.329 7.726 -1.196 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.819 6.019 -1.298 1.00 0.00 H new ATOM 234 N TRP A 15 -1.458 4.536 1.027 1.00 0.00 N ATOM 235 CA TRP A 15 -2.013 4.422 2.381 1.00 0.00 C ATOM 236 C TRP A 15 -1.461 3.197 3.123 1.00 0.00 C ATOM 237 O TRP A 15 -1.154 3.281 4.312 1.00 0.00 O ATOM 238 CB TRP A 15 -3.552 4.420 2.332 1.00 0.00 C ATOM 239 CG TRP A 15 -4.196 5.684 2.816 1.00 0.00 C ATOM 240 CD1 TRP A 15 -5.209 5.754 3.712 1.00 0.00 C ATOM 241 CD2 TRP A 15 -3.873 7.066 2.470 1.00 0.00 C ATOM 242 NE1 TRP A 15 -5.528 7.080 3.947 1.00 0.00 N ATOM 243 CE2 TRP A 15 -4.726 7.932 3.217 1.00 0.00 C ATOM 244 CE3 TRP A 15 -2.937 7.677 1.608 1.00 0.00 C ATOM 245 CZ2 TRP A 15 -4.645 9.330 3.123 1.00 0.00 C ATOM 246 CZ3 TRP A 15 -2.842 9.079 1.507 1.00 0.00 C ATOM 247 CH2 TRP A 15 -3.694 9.905 2.264 1.00 0.00 C ATOM 0 H TRP A 15 -2.148 4.389 0.290 1.00 0.00 H new ATOM 0 HA TRP A 15 -1.696 5.295 2.951 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -3.869 4.237 1.305 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -3.920 3.588 2.932 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -5.693 4.906 4.172 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -6.265 7.389 4.581 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -2.281 7.058 1.014 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -5.306 9.956 3.704 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -2.112 9.522 0.846 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -3.617 10.979 2.184 1.00 0.00 H new ATOM 258 N ASN A 16 -1.271 2.070 2.427 1.00 0.00 N ATOM 259 CA ASN A 16 -0.664 0.863 3.000 1.00 0.00 C ATOM 260 C ASN A 16 0.843 1.035 3.301 1.00 0.00 C ATOM 261 O ASN A 16 1.342 0.485 4.284 1.00 0.00 O ATOM 262 CB ASN A 16 -0.954 -0.339 2.074 1.00 0.00 C ATOM 263 CG ASN A 16 -1.413 -1.566 2.853 1.00 0.00 C ATOM 264 OD1 ASN A 16 -2.320 -1.511 3.673 1.00 0.00 O ATOM 265 ND2 ASN A 16 -0.842 -2.723 2.610 1.00 0.00 N ATOM 0 H ASN A 16 -1.535 1.969 1.447 1.00 0.00 H new ATOM 0 HA ASN A 16 -1.120 0.673 3.972 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -1.721 -0.062 1.351 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -0.056 -0.585 1.508 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -1.156 -3.560 3.102 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -0.085 -2.785 1.929 1.00 0.00 H new ATOM 272 N TRP A 17 1.565 1.846 2.514 1.00 0.00 N ATOM 273 CA TRP A 17 2.988 2.162 2.722 1.00 0.00 C ATOM 274 C TRP A 17 3.293 2.785 4.100 1.00 0.00 C ATOM 275 O TRP A 17 4.366 2.527 4.646 1.00 0.00 O ATOM 276 CB TRP A 17 3.496 3.046 1.572 1.00 0.00 C ATOM 277 CG TRP A 17 4.928 3.486 1.660 1.00 0.00 C ATOM 278 CD1 TRP A 17 6.008 2.669 1.661 1.00 0.00 C ATOM 279 CD2 TRP A 17 5.453 4.846 1.769 1.00 0.00 C ATOM 280 NE1 TRP A 17 7.160 3.428 1.762 1.00 0.00 N ATOM 281 CE2 TRP A 17 6.877 4.776 1.839 1.00 0.00 C ATOM 282 CE3 TRP A 17 4.873 6.135 1.816 1.00 0.00 C ATOM 283 CZ2 TRP A 17 7.682 5.918 1.963 1.00 0.00 C ATOM 284 CZ3 TRP A 17 5.672 7.290 1.930 1.00 0.00 C ATOM 285 CH2 TRP A 17 7.073 7.184 2.008 1.00 0.00 C ATOM 0 H TRP A 17 1.169 2.311 1.697 1.00 0.00 H new ATOM 0 HA TRP A 17 3.530 1.216 2.717 1.00 0.00 H new ATOM 0 HB2 TRP A 17 3.361 2.503 0.637 1.00 0.00 H new ATOM 0 HB3 TRP A 17 2.867 3.934 1.519 1.00 0.00 H new ATOM 0 HD1 TRP A 17 5.975 1.592 1.593 1.00 0.00 H new ATOM 0 HE1 TRP A 17 8.103 3.039 1.778 1.00 0.00 H new ATOM 0 HE3 TRP A 17 3.799 6.236 1.764 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 8.756 5.826 2.023 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 5.206 8.264 1.958 1.00 0.00 H new ATOM 0 HH2 TRP A 17 7.679 8.073 2.102 1.00 0.00 H new ATOM 296 N PHE A 18 2.350 3.518 4.713 1.00 0.00 N ATOM 297 CA PHE A 18 2.497 4.069 6.075 1.00 0.00 C ATOM 298 C PHE A 18 2.744 2.976 7.136 1.00 0.00 C ATOM 299 O PHE A 18 3.363 3.239 8.169 1.00 0.00 O ATOM 300 CB PHE A 18 1.265 4.900 6.468 1.00 0.00 C ATOM 301 CG PHE A 18 1.204 6.291 5.862 1.00 0.00 C ATOM 302 CD1 PHE A 18 0.618 6.489 4.600 1.00 0.00 C ATOM 303 CD2 PHE A 18 1.705 7.397 6.576 1.00 0.00 C ATOM 304 CE1 PHE A 18 0.536 7.780 4.046 1.00 0.00 C ATOM 305 CE2 PHE A 18 1.618 8.691 6.028 1.00 0.00 C ATOM 306 CZ PHE A 18 1.034 8.882 4.763 1.00 0.00 C ATOM 0 H PHE A 18 1.457 3.748 4.277 1.00 0.00 H new ATOM 0 HA PHE A 18 3.377 4.711 6.050 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.369 4.353 6.174 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.240 4.993 7.554 1.00 0.00 H new ATOM 0 HD1 PHE A 18 0.228 5.644 4.052 1.00 0.00 H new ATOM 0 HD2 PHE A 18 2.157 7.252 7.546 1.00 0.00 H new ATOM 0 HE1 PHE A 18 0.092 7.924 3.072 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.000 9.537 6.579 1.00 0.00 H new ATOM 0 HZ PHE A 18 0.968 9.875 4.343 1.00 0.00 H new ATOM 316 N ASN A 19 2.252 1.750 6.906 1.00 0.00 N ATOM 317 CA ASN A 19 2.507 0.605 7.781 1.00 0.00 C ATOM 318 C ASN A 19 3.872 -0.017 7.441 1.00 0.00 C ATOM 319 O ASN A 19 4.632 -0.350 8.349 1.00 0.00 O ATOM 320 CB ASN A 19 1.361 -0.424 7.671 1.00 0.00 C ATOM 321 CG ASN A 19 0.261 -0.210 8.703 1.00 0.00 C ATOM 322 OD1 ASN A 19 -0.001 0.886 9.179 1.00 0.00 O ATOM 323 ND2 ASN A 19 -0.423 -1.262 9.095 1.00 0.00 N ATOM 0 H ASN A 19 1.664 1.528 6.103 1.00 0.00 H new ATOM 0 HA ASN A 19 2.541 0.941 8.817 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.928 -0.371 6.672 1.00 0.00 H new ATOM 0 HB3 ASN A 19 1.770 -1.428 7.788 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -1.163 -1.159 9.789 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -0.213 -2.181 8.705 1.00 0.00 H new ATOM 330 N ILE A 20 4.215 -0.139 6.152 1.00 0.00 N ATOM 331 CA ILE A 20 5.492 -0.703 5.674 1.00 0.00 C ATOM 332 C ILE A 20 6.715 0.081 6.181 1.00 0.00 C ATOM 333 O ILE A 20 7.674 -0.541 6.637 1.00 0.00 O ATOM 334 CB ILE A 20 5.504 -0.841 4.134 1.00 0.00 C ATOM 335 CG1 ILE A 20 4.318 -1.671 3.590 1.00 0.00 C ATOM 336 CG2 ILE A 20 6.833 -1.451 3.647 1.00 0.00 C ATOM 337 CD1 ILE A 20 4.150 -3.074 4.191 1.00 0.00 C ATOM 0 H ILE A 20 3.601 0.157 5.393 1.00 0.00 H new ATOM 0 HA ILE A 20 5.570 -1.703 6.101 1.00 0.00 H new ATOM 0 HB ILE A 20 5.399 0.170 3.740 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.399 -1.111 3.761 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.434 -1.771 2.511 1.00 0.00 H new ATOM 0 HG21 ILE A 20 6.817 -1.538 2.561 1.00 0.00 H new ATOM 0 HG22 ILE A 20 7.660 -0.808 3.947 1.00 0.00 H new ATOM 0 HG23 ILE A 20 6.963 -2.439 4.088 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.289 -3.564 3.736 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.047 -3.663 3.997 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.995 -2.993 5.267 1.00 0.00 H new ATOM 349 N THR A 21 6.690 1.420 6.168 1.00 0.00 N ATOM 350 CA THR A 21 7.769 2.266 6.730 1.00 0.00 C ATOM 351 C THR A 21 8.060 1.963 8.201 1.00 0.00 C ATOM 352 O THR A 21 9.222 1.966 8.612 1.00 0.00 O ATOM 353 CB THR A 21 7.460 3.770 6.615 1.00 0.00 C ATOM 354 OG1 THR A 21 6.110 4.028 6.931 1.00 0.00 O ATOM 355 CG2 THR A 21 7.748 4.302 5.215 1.00 0.00 C ATOM 0 H THR A 21 5.920 1.956 5.767 1.00 0.00 H new ATOM 0 HA THR A 21 8.644 2.020 6.129 1.00 0.00 H new ATOM 0 HB THR A 21 8.111 4.280 7.325 1.00 0.00 H new ATOM 0 HG1 THR A 21 5.934 4.989 6.854 1.00 0.00 H new ATOM 0 HG21 THR A 21 7.517 5.367 5.176 1.00 0.00 H new ATOM 0 HG22 THR A 21 8.801 4.150 4.978 1.00 0.00 H new ATOM 0 HG23 THR A 21 7.132 3.770 4.490 1.00 0.00 H new ATOM 363 N ASN A 22 7.027 1.673 8.996 1.00 0.00 N ATOM 364 CA ASN A 22 7.175 1.304 10.405 1.00 0.00 C ATOM 365 C ASN A 22 7.544 -0.185 10.588 1.00 0.00 C ATOM 366 O ASN A 22 8.378 -0.513 11.432 1.00 0.00 O ATOM 367 CB ASN A 22 5.893 1.704 11.158 1.00 0.00 C ATOM 368 CG ASN A 22 6.215 2.221 12.550 1.00 0.00 C ATOM 369 OD1 ASN A 22 6.018 1.555 13.556 1.00 0.00 O ATOM 370 ND2 ASN A 22 6.730 3.428 12.647 1.00 0.00 N ATOM 0 H ASN A 22 6.058 1.688 8.677 1.00 0.00 H new ATOM 0 HA ASN A 22 8.015 1.850 10.834 1.00 0.00 H new ATOM 0 HB2 ASN A 22 5.362 2.472 10.595 1.00 0.00 H new ATOM 0 HB3 ASN A 22 5.227 0.844 11.231 1.00 0.00 H new ATOM 0 HD21 ASN A 22 6.966 3.810 13.563 1.00 0.00 H new ATOM 0 HD22 ASN A 22 6.893 3.982 11.806 1.00 0.00 H new ATOM 377 N TRP A 23 6.982 -1.084 9.771 1.00 0.00 N ATOM 378 CA TRP A 23 7.275 -2.527 9.777 1.00 0.00 C ATOM 379 C TRP A 23 8.716 -2.857 9.360 1.00 0.00 C ATOM 380 O TRP A 23 9.280 -3.843 9.829 1.00 0.00 O ATOM 381 CB TRP A 23 6.274 -3.262 8.875 1.00 0.00 C ATOM 382 CG TRP A 23 6.253 -4.762 8.991 1.00 0.00 C ATOM 383 CD1 TRP A 23 6.278 -5.460 10.151 1.00 0.00 C ATOM 384 CD2 TRP A 23 6.170 -5.765 7.928 1.00 0.00 C ATOM 385 NE1 TRP A 23 6.210 -6.814 9.885 1.00 0.00 N ATOM 386 CE2 TRP A 23 6.125 -7.059 8.532 1.00 0.00 C ATOM 387 CE3 TRP A 23 6.114 -5.719 6.516 1.00 0.00 C ATOM 388 CZ2 TRP A 23 6.016 -8.240 7.783 1.00 0.00 C ATOM 389 CZ3 TRP A 23 6.011 -6.900 5.753 1.00 0.00 C ATOM 390 CH2 TRP A 23 5.958 -8.158 6.382 1.00 0.00 C ATOM 0 H TRP A 23 6.291 -0.823 9.067 1.00 0.00 H new ATOM 0 HA TRP A 23 7.171 -2.869 10.807 1.00 0.00 H new ATOM 0 HB2 TRP A 23 5.275 -2.887 9.096 1.00 0.00 H new ATOM 0 HB3 TRP A 23 6.491 -3.001 7.839 1.00 0.00 H new ATOM 0 HD1 TRP A 23 6.342 -5.024 11.137 1.00 0.00 H new ATOM 0 HE1 TRP A 23 6.221 -7.541 10.600 1.00 0.00 H new ATOM 0 HE3 TRP A 23 6.151 -4.764 6.014 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 5.977 -9.200 8.277 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 5.972 -6.839 4.675 1.00 0.00 H new ATOM 0 HH2 TRP A 23 5.873 -9.057 5.790 1.00 0.00 H new ATOM 401 N LEU A 24 9.350 -2.006 8.545 1.00 0.00 N ATOM 402 CA LEU A 24 10.755 -2.109 8.130 1.00 0.00 C ATOM 403 C LEU A 24 11.715 -2.298 9.322 1.00 0.00 C ATOM 404 O LEU A 24 12.613 -3.138 9.261 1.00 0.00 O ATOM 405 CB LEU A 24 11.112 -0.865 7.281 1.00 0.00 C ATOM 406 CG LEU A 24 11.535 -1.220 5.843 1.00 0.00 C ATOM 407 CD1 LEU A 24 11.291 -0.039 4.904 1.00 0.00 C ATOM 408 CD2 LEU A 24 13.016 -1.595 5.782 1.00 0.00 C ATOM 0 H LEU A 24 8.881 -1.195 8.141 1.00 0.00 H new ATOM 0 HA LEU A 24 10.879 -3.007 7.524 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.252 -0.196 7.246 1.00 0.00 H new ATOM 0 HB3 LEU A 24 11.920 -0.319 7.768 1.00 0.00 H new ATOM 0 HG LEU A 24 10.934 -2.073 5.529 1.00 0.00 H new ATOM 0 HD11 LEU A 24 11.596 -0.309 3.893 1.00 0.00 H new ATOM 0 HD12 LEU A 24 10.231 0.216 4.908 1.00 0.00 H new ATOM 0 HD13 LEU A 24 11.872 0.820 5.241 1.00 0.00 H new ATOM 0 HD21 LEU A 24 13.287 -1.841 4.755 1.00 0.00 H new ATOM 0 HD22 LEU A 24 13.619 -0.754 6.125 1.00 0.00 H new ATOM 0 HD23 LEU A 24 13.200 -2.458 6.422 1.00 0.00 H new ATOM 420 N TRP A 25 11.472 -1.582 10.427 1.00 0.00 N ATOM 421 CA TRP A 25 12.208 -1.703 11.696 1.00 0.00 C ATOM 422 C TRP A 25 12.073 -3.089 12.351 1.00 0.00 C ATOM 423 O TRP A 25 12.982 -3.541 13.051 1.00 0.00 O ATOM 424 CB TRP A 25 11.709 -0.628 12.671 1.00 0.00 C ATOM 425 CG TRP A 25 12.008 0.789 12.288 1.00 0.00 C ATOM 426 CD1 TRP A 25 11.237 1.582 11.509 1.00 0.00 C ATOM 427 CD2 TRP A 25 13.161 1.601 12.671 1.00 0.00 C ATOM 428 NE1 TRP A 25 11.832 2.824 11.381 1.00 0.00 N ATOM 429 CE2 TRP A 25 13.019 2.892 12.080 1.00 0.00 C ATOM 430 CE3 TRP A 25 14.312 1.377 13.458 1.00 0.00 C ATOM 431 CZ2 TRP A 25 13.968 3.910 12.263 1.00 0.00 C ATOM 432 CZ3 TRP A 25 15.271 2.390 13.649 1.00 0.00 C ATOM 433 CH2 TRP A 25 15.101 3.655 13.055 1.00 0.00 C ATOM 0 H TRP A 25 10.734 -0.879 10.466 1.00 0.00 H new ATOM 0 HA TRP A 25 13.265 -1.566 11.466 1.00 0.00 H new ATOM 0 HB2 TRP A 25 10.630 -0.735 12.779 1.00 0.00 H new ATOM 0 HB3 TRP A 25 12.148 -0.820 13.650 1.00 0.00 H new ATOM 0 HD1 TRP A 25 10.301 1.290 11.057 1.00 0.00 H new ATOM 0 HE1 TRP A 25 11.442 3.594 10.837 1.00 0.00 H new ATOM 0 HE3 TRP A 25 14.459 0.412 13.921 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 13.829 4.876 11.801 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 16.143 2.195 14.255 1.00 0.00 H new ATOM 0 HH2 TRP A 25 15.840 4.428 13.208 1.00 0.00 H new ATOM 444 N TYR A 26 10.940 -3.768 12.148 1.00 0.00 N ATOM 445 CA TYR A 26 10.690 -5.136 12.608 1.00 0.00 C ATOM 446 C TYR A 26 11.483 -6.170 11.786 1.00 0.00 C ATOM 447 O TYR A 26 12.019 -7.131 12.343 1.00 0.00 O ATOM 448 CB TYR A 26 9.180 -5.436 12.562 1.00 0.00 C ATOM 449 CG TYR A 26 8.691 -6.178 13.788 1.00 0.00 C ATOM 450 CD1 TYR A 26 8.761 -7.583 13.849 1.00 0.00 C ATOM 451 CD2 TYR A 26 8.203 -5.447 14.887 1.00 0.00 C ATOM 452 CE1 TYR A 26 8.343 -8.257 15.014 1.00 0.00 C ATOM 453 CE2 TYR A 26 7.784 -6.117 16.054 1.00 0.00 C ATOM 454 CZ TYR A 26 7.855 -7.526 16.120 1.00 0.00 C ATOM 455 OH TYR A 26 7.465 -8.183 17.248 1.00 0.00 O ATOM 0 H TYR A 26 10.148 -3.368 11.644 1.00 0.00 H new ATOM 0 HA TYR A 26 11.036 -5.216 13.638 1.00 0.00 H new ATOM 0 HB2 TYR A 26 8.631 -4.499 12.467 1.00 0.00 H new ATOM 0 HB3 TYR A 26 8.959 -6.027 11.673 1.00 0.00 H new ATOM 0 HD1 TYR A 26 9.134 -8.143 13.004 1.00 0.00 H new ATOM 0 HD2 TYR A 26 8.149 -4.370 14.836 1.00 0.00 H new ATOM 0 HE1 TYR A 26 8.396 -9.335 15.061 1.00 0.00 H new ATOM 0 HE2 TYR A 26 7.409 -5.554 16.896 1.00 0.00 H new ATOM 0 HH TYR A 26 7.156 -7.534 17.914 1.00 0.00 H new ATOM 465 N ILE A 27 11.574 -5.966 10.464 1.00 0.00 N ATOM 466 CA ILE A 27 12.339 -6.813 9.535 1.00 0.00 C ATOM 467 C ILE A 27 13.856 -6.714 9.789 1.00 0.00 C ATOM 468 O ILE A 27 14.527 -7.743 9.921 1.00 0.00 O ATOM 469 CB ILE A 27 12.007 -6.467 8.063 1.00 0.00 C ATOM 470 CG1 ILE A 27 10.498 -6.487 7.733 1.00 0.00 C ATOM 471 CG2 ILE A 27 12.761 -7.404 7.098 1.00 0.00 C ATOM 472 CD1 ILE A 27 9.747 -7.775 8.094 1.00 0.00 C ATOM 0 H ILE A 27 11.106 -5.188 9.999 1.00 0.00 H new ATOM 0 HA ILE A 27 12.040 -7.845 9.720 1.00 0.00 H new ATOM 0 HB ILE A 27 12.340 -5.438 7.927 1.00 0.00 H new ATOM 0 HG12 ILE A 27 10.022 -5.655 8.252 1.00 0.00 H new ATOM 0 HG13 ILE A 27 10.378 -6.307 6.665 1.00 0.00 H new ATOM 0 HG21 ILE A 27 12.513 -7.143 6.069 1.00 0.00 H new ATOM 0 HG22 ILE A 27 13.835 -7.296 7.251 1.00 0.00 H new ATOM 0 HG23 ILE A 27 12.469 -8.436 7.291 1.00 0.00 H new ATOM 0 HD11 ILE A 27 8.698 -7.674 7.817 1.00 0.00 H new ATOM 0 HD12 ILE A 27 10.185 -8.615 7.555 1.00 0.00 H new ATOM 0 HD13 ILE A 27 9.824 -7.953 9.167 1.00 0.00 H new ATOM 484 N LYS A 28 14.393 -5.486 9.851 1.00 0.00 N ATOM 485 CA LYS A 28 15.830 -5.156 9.975 1.00 0.00 C ATOM 486 C LYS A 28 16.102 -4.060 11.018 1.00 0.00 C ATOM 487 O LYS A 28 16.855 -4.345 11.978 1.00 0.00 O ATOM 488 CB LYS A 28 16.388 -4.767 8.589 1.00 0.00 C ATOM 489 CG LYS A 28 16.956 -5.965 7.802 1.00 0.00 C ATOM 490 CD LYS A 28 18.492 -6.046 7.824 1.00 0.00 C ATOM 491 CE LYS A 28 19.117 -4.893 7.020 1.00 0.00 C ATOM 492 NZ LYS A 28 20.531 -5.167 6.652 1.00 0.00 N ATOM 493 OXT LYS A 28 15.605 -2.922 10.859 1.00 0.00 O ATOM 0 H LYS A 28 13.810 -4.650 9.814 1.00 0.00 H new ATOM 0 HA LYS A 28 16.348 -6.044 10.338 1.00 0.00 H new ATOM 0 HB2 LYS A 28 15.596 -4.300 8.004 1.00 0.00 H new ATOM 0 HB3 LYS A 28 17.172 -4.021 8.717 1.00 0.00 H new ATOM 0 HG2 LYS A 28 16.546 -6.887 8.215 1.00 0.00 H new ATOM 0 HG3 LYS A 28 16.619 -5.902 6.767 1.00 0.00 H new ATOM 0 HD2 LYS A 28 18.847 -6.010 8.854 1.00 0.00 H new ATOM 0 HD3 LYS A 28 18.815 -7.001 7.409 1.00 0.00 H new ATOM 0 HE2 LYS A 28 18.534 -4.726 6.115 1.00 0.00 H new ATOM 0 HE3 LYS A 28 19.067 -3.975 7.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 20.911 -4.364 6.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 21.095 -5.301 7.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 20.578 -6.028 6.071 1.00 0.00 H new TER 507 LYS A 28