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 X(o=0,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=-0.00133 K(o=-0.0013,f=-1.2) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 THR OG1 : rot 63:sc= 0.292 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 -13.054 -3.862 -18.058 1.00 0.00 N ATOM 2 CA ASN A 1 -14.209 -2.923 -18.020 1.00 0.00 C ATOM 3 C ASN A 1 -14.209 -2.078 -16.741 1.00 0.00 C ATOM 4 O ASN A 1 -14.181 -0.854 -16.845 1.00 0.00 O ATOM 5 CB ASN A 1 -15.567 -3.612 -18.295 1.00 0.00 C ATOM 6 CG ASN A 1 -16.051 -3.337 -19.722 1.00 0.00 C ATOM 7 OD1 ASN A 1 -16.951 -2.538 -19.948 1.00 0.00 O ATOM 8 ND2 ASN A 1 -15.473 -3.948 -20.740 1.00 0.00 N ATOM 0 H1 ASN A 1 -13.087 -4.417 -18.937 1.00 0.00 H new ATOM 0 H2 ASN A 1 -12.166 -3.322 -18.022 1.00 0.00 H new ATOM 0 H3 ASN A 1 -13.102 -4.504 -17.241 1.00 0.00 H new ATOM 0 HA ASN A 1 -14.075 -2.232 -18.852 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -15.469 -4.687 -18.142 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -16.310 -3.255 -17.582 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -15.778 -3.751 -21.693 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -14.721 -4.617 -20.573 1.00 0.00 H new ATOM 17 N GLU A 2 -14.222 -2.676 -15.540 1.00 0.00 N ATOM 18 CA GLU A 2 -14.146 -1.991 -14.230 1.00 0.00 C ATOM 19 C GLU A 2 -12.805 -1.262 -13.972 1.00 0.00 C ATOM 20 O GLU A 2 -11.982 -1.663 -13.144 1.00 0.00 O ATOM 21 CB GLU A 2 -14.469 -2.967 -13.079 1.00 0.00 C ATOM 22 CG GLU A 2 -15.919 -3.480 -13.063 1.00 0.00 C ATOM 23 CD GLU A 2 -16.091 -4.845 -13.765 1.00 0.00 C ATOM 24 OE1 GLU A 2 -15.676 -4.995 -14.941 1.00 0.00 O ATOM 25 OE2 GLU A 2 -16.656 -5.778 -13.144 1.00 0.00 O ATOM 0 H GLU A 2 -14.288 -3.689 -15.445 1.00 0.00 H new ATOM 0 HA GLU A 2 -14.905 -1.209 -14.264 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -13.796 -3.822 -13.145 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -14.262 -2.471 -12.131 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -16.256 -3.565 -12.030 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -16.562 -2.746 -13.548 1.00 0.00 H new ATOM 32 N GLN A 3 -12.601 -0.135 -14.656 1.00 0.00 N ATOM 33 CA GLN A 3 -11.456 0.771 -14.496 1.00 0.00 C ATOM 34 C GLN A 3 -11.379 1.407 -13.095 1.00 0.00 C ATOM 35 O GLN A 3 -10.290 1.714 -12.609 1.00 0.00 O ATOM 36 CB GLN A 3 -11.516 1.840 -15.605 1.00 0.00 C ATOM 37 CG GLN A 3 -12.644 2.873 -15.407 1.00 0.00 C ATOM 38 CD GLN A 3 -12.967 3.642 -16.687 1.00 0.00 C ATOM 39 OE1 GLN A 3 -12.121 4.279 -17.304 1.00 0.00 O ATOM 40 NE2 GLN A 3 -14.207 3.625 -17.134 1.00 0.00 N ATOM 0 H GLN A 3 -13.256 0.188 -15.368 1.00 0.00 H new ATOM 0 HA GLN A 3 -10.540 0.188 -14.593 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -10.560 2.362 -15.647 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -11.652 1.346 -16.567 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -13.542 2.363 -15.058 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -12.354 3.578 -14.628 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -14.923 3.100 -16.632 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -14.451 4.137 -17.982 1.00 0.00 H new ATOM 49 N GLU A 4 -12.524 1.571 -12.418 1.00 0.00 N ATOM 50 CA GLU A 4 -12.599 2.126 -11.059 1.00 0.00 C ATOM 51 C GLU A 4 -11.882 1.222 -10.040 1.00 0.00 C ATOM 52 O GLU A 4 -11.245 1.717 -9.109 1.00 0.00 O ATOM 53 CB GLU A 4 -14.068 2.351 -10.655 1.00 0.00 C ATOM 54 CG GLU A 4 -14.249 3.614 -9.794 1.00 0.00 C ATOM 55 CD GLU A 4 -15.227 3.396 -8.621 1.00 0.00 C ATOM 56 OE1 GLU A 4 -16.424 3.100 -8.863 1.00 0.00 O ATOM 57 OE2 GLU A 4 -14.810 3.538 -7.445 1.00 0.00 O ATOM 0 H GLU A 4 -13.434 1.319 -12.803 1.00 0.00 H new ATOM 0 HA GLU A 4 -12.086 3.088 -11.059 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -14.681 2.435 -11.553 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -14.428 1.483 -10.103 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -13.280 3.924 -9.402 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -14.614 4.427 -10.421 1.00 0.00 H new ATOM 64 N LEU A 5 -11.961 -0.107 -10.228 1.00 0.00 N ATOM 65 CA LEU A 5 -11.241 -1.077 -9.399 1.00 0.00 C ATOM 66 C LEU A 5 -9.733 -0.948 -9.646 1.00 0.00 C ATOM 67 O LEU A 5 -8.974 -0.851 -8.689 1.00 0.00 O ATOM 68 CB LEU A 5 -11.709 -2.527 -9.665 1.00 0.00 C ATOM 69 CG LEU A 5 -12.591 -3.098 -8.536 1.00 0.00 C ATOM 70 CD1 LEU A 5 -14.058 -2.709 -8.713 1.00 0.00 C ATOM 71 CD2 LEU A 5 -12.498 -4.625 -8.500 1.00 0.00 C ATOM 0 H LEU A 5 -12.527 -0.534 -10.961 1.00 0.00 H new ATOM 0 HA LEU A 5 -11.461 -0.855 -8.355 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -12.265 -2.556 -10.602 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -10.835 -3.166 -9.793 1.00 0.00 H new ATOM 0 HG LEU A 5 -12.220 -2.675 -7.602 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -14.647 -3.130 -7.898 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -14.150 -1.623 -8.704 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -14.425 -3.096 -9.664 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -13.127 -5.009 -7.697 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -12.836 -5.033 -9.453 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -11.464 -4.923 -8.325 1.00 0.00 H new ATOM 83 N LEU A 6 -9.297 -0.921 -10.913 1.00 0.00 N ATOM 84 CA LEU A 6 -7.885 -0.814 -11.309 1.00 0.00 C ATOM 85 C LEU A 6 -7.197 0.447 -10.750 1.00 0.00 C ATOM 86 O LEU A 6 -6.062 0.371 -10.280 1.00 0.00 O ATOM 87 CB LEU A 6 -7.797 -0.884 -12.846 1.00 0.00 C ATOM 88 CG LEU A 6 -6.372 -0.759 -13.424 1.00 0.00 C ATOM 89 CD1 LEU A 6 -5.436 -1.868 -12.938 1.00 0.00 C ATOM 90 CD2 LEU A 6 -6.434 -0.826 -14.950 1.00 0.00 C ATOM 0 H LEU A 6 -9.931 -0.974 -11.710 1.00 0.00 H new ATOM 0 HA LEU A 6 -7.339 -1.650 -10.872 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -8.225 -1.830 -13.177 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -8.414 -0.090 -13.267 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.976 0.196 -13.080 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -4.448 -1.729 -13.377 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -5.359 -1.829 -11.851 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -5.833 -2.837 -13.239 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -5.428 -0.738 -15.359 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -6.868 -1.778 -15.255 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.051 -0.010 -15.325 1.00 0.00 H new ATOM 102 N GLU A 7 -7.879 1.595 -10.761 1.00 0.00 N ATOM 103 CA GLU A 7 -7.389 2.849 -10.164 1.00 0.00 C ATOM 104 C GLU A 7 -7.021 2.677 -8.676 1.00 0.00 C ATOM 105 O GLU A 7 -5.970 3.150 -8.236 1.00 0.00 O ATOM 106 CB GLU A 7 -8.454 3.949 -10.335 1.00 0.00 C ATOM 107 CG GLU A 7 -8.550 4.494 -11.769 1.00 0.00 C ATOM 108 CD GLU A 7 -7.646 5.725 -11.987 1.00 0.00 C ATOM 109 OE1 GLU A 7 -6.403 5.606 -11.863 1.00 0.00 O ATOM 110 OE2 GLU A 7 -8.173 6.823 -12.296 1.00 0.00 O ATOM 0 H GLU A 7 -8.800 1.685 -11.190 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.476 3.138 -10.685 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.425 3.552 -10.040 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.227 4.772 -9.657 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -8.270 3.710 -12.473 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.584 4.762 -11.985 1.00 0.00 H new ATOM 117 N LEU A 8 -7.853 1.961 -7.907 1.00 0.00 N ATOM 118 CA LEU A 8 -7.603 1.612 -6.501 1.00 0.00 C ATOM 119 C LEU A 8 -6.665 0.399 -6.315 1.00 0.00 C ATOM 120 O LEU A 8 -5.965 0.317 -5.308 1.00 0.00 O ATOM 121 CB LEU A 8 -8.957 1.381 -5.787 1.00 0.00 C ATOM 122 CG LEU A 8 -9.315 2.406 -4.692 1.00 0.00 C ATOM 123 CD1 LEU A 8 -8.292 2.440 -3.555 1.00 0.00 C ATOM 124 CD2 LEU A 8 -9.497 3.820 -5.250 1.00 0.00 C ATOM 0 H LEU A 8 -8.741 1.599 -8.254 1.00 0.00 H new ATOM 0 HA LEU A 8 -7.076 2.452 -6.049 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -9.748 1.385 -6.537 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -8.947 0.387 -5.340 1.00 0.00 H new ATOM 0 HG LEU A 8 -10.268 2.063 -4.288 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -8.596 3.179 -2.814 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -8.237 1.458 -3.086 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -7.313 2.707 -3.954 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -9.748 4.502 -4.438 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -8.571 4.146 -5.725 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -10.301 3.820 -5.985 1.00 0.00 H new ATOM 136 N ASP A 9 -6.604 -0.531 -7.271 1.00 0.00 N ATOM 137 CA ASP A 9 -5.767 -1.742 -7.230 1.00 0.00 C ATOM 138 C ASP A 9 -4.267 -1.409 -7.149 1.00 0.00 C ATOM 139 O ASP A 9 -3.507 -2.070 -6.439 1.00 0.00 O ATOM 140 CB ASP A 9 -6.043 -2.608 -8.467 1.00 0.00 C ATOM 141 CG ASP A 9 -5.358 -3.981 -8.365 1.00 0.00 C ATOM 142 OD1 ASP A 9 -5.782 -4.807 -7.521 1.00 0.00 O ATOM 143 OD2 ASP A 9 -4.410 -4.247 -9.140 1.00 0.00 O ATOM 0 H ASP A 9 -7.154 -0.463 -8.127 1.00 0.00 H new ATOM 0 HA ASP A 9 -6.029 -2.291 -6.326 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.118 -2.745 -8.582 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -5.690 -2.091 -9.359 1.00 0.00 H new ATOM 148 N LYS A 10 -3.847 -0.345 -7.845 1.00 0.00 N ATOM 149 CA LYS A 10 -2.478 0.192 -7.812 1.00 0.00 C ATOM 150 C LYS A 10 -2.142 0.704 -6.403 1.00 0.00 C ATOM 151 O LYS A 10 -1.087 0.382 -5.855 1.00 0.00 O ATOM 152 CB LYS A 10 -2.337 1.284 -8.893 1.00 0.00 C ATOM 153 CG LYS A 10 -2.560 0.733 -10.324 1.00 0.00 C ATOM 154 CD LYS A 10 -3.214 1.754 -11.270 1.00 0.00 C ATOM 155 CE LYS A 10 -2.226 2.770 -11.858 1.00 0.00 C ATOM 156 NZ LYS A 10 -1.618 2.282 -13.126 1.00 0.00 N ATOM 0 H LYS A 10 -4.465 0.181 -8.463 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.757 -0.593 -8.038 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.056 2.080 -8.697 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.344 1.729 -8.829 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -1.602 0.423 -10.741 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -3.187 -0.157 -10.270 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.701 1.220 -12.086 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.994 2.290 -10.729 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.741 3.713 -12.042 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.439 2.973 -11.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.957 2.997 -13.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.105 1.395 -12.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.367 2.113 -13.827 1.00 0.00 H new ATOM 170 N TRP A 11 -3.069 1.440 -5.780 1.00 0.00 N ATOM 171 CA TRP A 11 -2.975 1.929 -4.395 1.00 0.00 C ATOM 172 C TRP A 11 -3.016 0.805 -3.343 1.00 0.00 C ATOM 173 O TRP A 11 -2.385 0.939 -2.293 1.00 0.00 O ATOM 174 CB TRP A 11 -4.083 2.961 -4.129 1.00 0.00 C ATOM 175 CG TRP A 11 -3.756 4.373 -4.516 1.00 0.00 C ATOM 176 CD1 TRP A 11 -3.346 4.787 -5.739 1.00 0.00 C ATOM 177 CD2 TRP A 11 -3.797 5.572 -3.680 1.00 0.00 C ATOM 178 NE1 TRP A 11 -3.111 6.150 -5.711 1.00 0.00 N ATOM 179 CE2 TRP A 11 -3.371 6.685 -4.467 1.00 0.00 C ATOM 180 CE3 TRP A 11 -4.149 5.836 -2.337 1.00 0.00 C ATOM 181 CZ2 TRP A 11 -3.286 7.986 -3.948 1.00 0.00 C ATOM 182 CZ3 TRP A 11 -4.076 7.140 -1.806 1.00 0.00 C ATOM 183 CH2 TRP A 11 -3.642 8.213 -2.606 1.00 0.00 C ATOM 0 H TRP A 11 -3.935 1.722 -6.239 1.00 0.00 H new ATOM 0 HA TRP A 11 -1.997 2.400 -4.293 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -4.979 2.653 -4.668 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -4.327 2.941 -3.067 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -3.222 4.151 -6.603 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -2.786 6.692 -6.511 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -4.480 5.024 -1.706 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -2.952 8.803 -4.571 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -4.355 7.317 -0.778 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -3.582 9.208 -2.191 1.00 0.00 H new ATOM 194 N ALA A 12 -3.687 -0.322 -3.606 1.00 0.00 N ATOM 195 CA ALA A 12 -3.724 -1.479 -2.700 1.00 0.00 C ATOM 196 C ALA A 12 -2.317 -2.040 -2.372 1.00 0.00 C ATOM 197 O ALA A 12 -2.106 -2.579 -1.284 1.00 0.00 O ATOM 198 CB ALA A 12 -4.662 -2.548 -3.274 1.00 0.00 C ATOM 0 H ALA A 12 -4.225 -0.459 -4.461 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.120 -1.144 -1.741 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -4.690 -3.406 -2.603 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -5.665 -2.135 -3.376 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -4.298 -2.864 -4.252 1.00 0.00 H new ATOM 204 N SER A 13 -1.343 -1.888 -3.281 1.00 0.00 N ATOM 205 CA SER A 13 0.059 -2.281 -3.046 1.00 0.00 C ATOM 206 C SER A 13 0.765 -1.291 -2.105 1.00 0.00 C ATOM 207 O SER A 13 1.470 -1.705 -1.181 1.00 0.00 O ATOM 208 CB SER A 13 0.827 -2.372 -4.371 1.00 0.00 C ATOM 209 OG SER A 13 0.482 -3.563 -5.064 1.00 0.00 O ATOM 0 H SER A 13 -1.504 -1.487 -4.205 1.00 0.00 H new ATOM 0 HA SER A 13 0.048 -3.262 -2.572 1.00 0.00 H new ATOM 0 HB2 SER A 13 0.599 -1.505 -4.991 1.00 0.00 H new ATOM 0 HB3 SER A 13 1.900 -2.354 -4.179 1.00 0.00 H new ATOM 0 HG SER A 13 0.979 -3.606 -5.908 1.00 0.00 H new ATOM 215 N LEU A 14 0.542 0.018 -2.290 1.00 0.00 N ATOM 216 CA LEU A 14 1.061 1.087 -1.422 1.00 0.00 C ATOM 217 C LEU A 14 0.522 0.985 0.019 1.00 0.00 C ATOM 218 O LEU A 14 1.251 1.293 0.964 1.00 0.00 O ATOM 219 CB LEU A 14 0.737 2.471 -2.032 1.00 0.00 C ATOM 220 CG LEU A 14 1.666 2.991 -3.150 1.00 0.00 C ATOM 221 CD1 LEU A 14 3.076 3.289 -2.639 1.00 0.00 C ATOM 222 CD2 LEU A 14 1.771 2.066 -4.363 1.00 0.00 C ATOM 0 H LEU A 14 -0.018 0.372 -3.066 1.00 0.00 H new ATOM 0 HA LEU A 14 2.143 0.966 -1.363 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.278 2.435 -2.427 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.739 3.203 -1.225 1.00 0.00 H new ATOM 0 HG LEU A 14 1.186 3.913 -3.477 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.692 3.652 -3.462 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.027 4.049 -1.859 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.515 2.379 -2.231 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.443 2.507 -5.100 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.161 1.098 -4.050 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.784 1.933 -4.806 1.00 0.00 H new ATOM 234 N TRP A 15 -0.713 0.507 0.213 1.00 0.00 N ATOM 235 CA TRP A 15 -1.302 0.260 1.541 1.00 0.00 C ATOM 236 C TRP A 15 -0.480 -0.715 2.400 1.00 0.00 C ATOM 237 O TRP A 15 -0.331 -0.495 3.603 1.00 0.00 O ATOM 238 CB TRP A 15 -2.746 -0.247 1.401 1.00 0.00 C ATOM 239 CG TRP A 15 -3.798 0.816 1.440 1.00 0.00 C ATOM 240 CD1 TRP A 15 -4.454 1.332 0.376 1.00 0.00 C ATOM 241 CD2 TRP A 15 -4.342 1.491 2.616 1.00 0.00 C ATOM 242 NE1 TRP A 15 -5.365 2.277 0.811 1.00 0.00 N ATOM 243 CE2 TRP A 15 -5.340 2.413 2.183 1.00 0.00 C ATOM 244 CE3 TRP A 15 -4.095 1.411 4.005 1.00 0.00 C ATOM 245 CZ2 TRP A 15 -6.061 3.215 3.081 1.00 0.00 C ATOM 246 CZ3 TRP A 15 -4.813 2.211 4.916 1.00 0.00 C ATOM 247 CH2 TRP A 15 -5.794 3.110 4.458 1.00 0.00 C ATOM 0 H TRP A 15 -1.342 0.277 -0.556 1.00 0.00 H new ATOM 0 HA TRP A 15 -1.296 1.217 2.062 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -2.834 -0.790 0.460 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -2.943 -0.961 2.201 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -4.292 1.050 -0.654 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -5.979 2.808 0.194 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -3.345 0.727 4.374 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -6.811 3.903 2.720 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -4.609 2.134 5.974 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -6.341 3.718 5.163 1.00 0.00 H new ATOM 258 N ASN A 16 0.078 -1.774 1.802 1.00 0.00 N ATOM 259 CA ASN A 16 0.969 -2.711 2.496 1.00 0.00 C ATOM 260 C ASN A 16 2.276 -2.005 2.919 1.00 0.00 C ATOM 261 O ASN A 16 2.667 -2.048 4.088 1.00 0.00 O ATOM 262 CB ASN A 16 1.199 -3.935 1.584 1.00 0.00 C ATOM 263 CG ASN A 16 1.741 -5.153 2.324 1.00 0.00 C ATOM 264 OD1 ASN A 16 2.540 -5.068 3.245 1.00 0.00 O ATOM 265 ND2 ASN A 16 1.326 -6.341 1.942 1.00 0.00 N ATOM 0 H ASN A 16 -0.076 -2.006 0.821 1.00 0.00 H new ATOM 0 HA ASN A 16 0.515 -3.066 3.421 1.00 0.00 H new ATOM 0 HB2 ASN A 16 0.258 -4.201 1.103 1.00 0.00 H new ATOM 0 HB3 ASN A 16 1.896 -3.662 0.792 1.00 0.00 H new ATOM 0 HD21 ASN A 16 1.671 -7.177 2.413 1.00 0.00 H new ATOM 0 HD22 ASN A 16 0.659 -6.426 1.175 1.00 0.00 H new ATOM 272 N TRP A 17 2.908 -1.274 1.991 1.00 0.00 N ATOM 273 CA TRP A 17 4.116 -0.476 2.254 1.00 0.00 C ATOM 274 C TRP A 17 3.933 0.590 3.352 1.00 0.00 C ATOM 275 O TRP A 17 4.873 0.848 4.102 1.00 0.00 O ATOM 276 CB TRP A 17 4.625 0.155 0.951 1.00 0.00 C ATOM 277 CG TRP A 17 5.911 0.912 1.095 1.00 0.00 C ATOM 278 CD1 TRP A 17 7.112 0.362 1.393 1.00 0.00 C ATOM 279 CD2 TRP A 17 6.142 2.354 0.998 1.00 0.00 C ATOM 280 NE1 TRP A 17 8.065 1.359 1.497 1.00 0.00 N ATOM 281 CE2 TRP A 17 7.522 2.606 1.268 1.00 0.00 C ATOM 282 CE3 TRP A 17 5.330 3.474 0.713 1.00 0.00 C ATOM 283 CZ2 TRP A 17 8.066 3.899 1.260 1.00 0.00 C ATOM 284 CZ3 TRP A 17 5.868 4.777 0.697 1.00 0.00 C ATOM 285 CH2 TRP A 17 7.231 4.991 0.972 1.00 0.00 C ATOM 0 H TRP A 17 2.591 -1.219 1.023 1.00 0.00 H new ATOM 0 HA TRP A 17 4.865 -1.166 2.642 1.00 0.00 H new ATOM 0 HB2 TRP A 17 4.761 -0.632 0.209 1.00 0.00 H new ATOM 0 HB3 TRP A 17 3.861 0.830 0.565 1.00 0.00 H new ATOM 0 HD1 TRP A 17 7.297 -0.693 1.529 1.00 0.00 H new ATOM 0 HE1 TRP A 17 9.047 1.193 1.716 1.00 0.00 H new ATOM 0 HE3 TRP A 17 4.280 3.330 0.504 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 9.114 4.053 1.473 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 5.229 5.618 0.472 1.00 0.00 H new ATOM 0 HH2 TRP A 17 7.634 5.993 0.962 1.00 0.00 H new ATOM 296 N PHE A 18 2.726 1.146 3.523 1.00 0.00 N ATOM 297 CA PHE A 18 2.400 2.095 4.603 1.00 0.00 C ATOM 298 C PHE A 18 2.687 1.523 6.010 1.00 0.00 C ATOM 299 O PHE A 18 3.030 2.262 6.935 1.00 0.00 O ATOM 300 CB PHE A 18 0.932 2.541 4.476 1.00 0.00 C ATOM 301 CG PHE A 18 0.633 3.906 5.075 1.00 0.00 C ATOM 302 CD1 PHE A 18 0.457 4.063 6.464 1.00 0.00 C ATOM 303 CD2 PHE A 18 0.525 5.031 4.233 1.00 0.00 C ATOM 304 CE1 PHE A 18 0.198 5.335 7.008 1.00 0.00 C ATOM 305 CE2 PHE A 18 0.253 6.301 4.775 1.00 0.00 C ATOM 306 CZ PHE A 18 0.095 6.455 6.164 1.00 0.00 C ATOM 0 H PHE A 18 1.936 0.948 2.908 1.00 0.00 H new ATOM 0 HA PHE A 18 3.053 2.960 4.489 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.660 2.554 3.421 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.297 1.799 4.960 1.00 0.00 H new ATOM 0 HD1 PHE A 18 0.521 3.203 7.114 1.00 0.00 H new ATOM 0 HD2 PHE A 18 0.652 4.918 3.166 1.00 0.00 H new ATOM 0 HE1 PHE A 18 0.078 5.451 8.075 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.166 7.158 4.124 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.105 7.431 6.581 1.00 0.00 H new ATOM 316 N ASN A 19 2.561 0.201 6.188 1.00 0.00 N ATOM 317 CA ASN A 19 2.905 -0.480 7.439 1.00 0.00 C ATOM 318 C ASN A 19 4.433 -0.643 7.586 1.00 0.00 C ATOM 319 O ASN A 19 4.977 -0.451 8.676 1.00 0.00 O ATOM 320 CB ASN A 19 2.163 -1.832 7.502 1.00 0.00 C ATOM 321 CG ASN A 19 1.398 -1.989 8.805 1.00 0.00 C ATOM 322 OD1 ASN A 19 1.795 -2.706 9.713 1.00 0.00 O ATOM 323 ND2 ASN A 19 0.277 -1.315 8.941 1.00 0.00 N ATOM 0 H ASN A 19 2.215 -0.428 5.463 1.00 0.00 H new ATOM 0 HA ASN A 19 2.582 0.128 8.284 1.00 0.00 H new ATOM 0 HB2 ASN A 19 1.472 -1.908 6.662 1.00 0.00 H new ATOM 0 HB3 ASN A 19 2.880 -2.647 7.400 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -0.262 -1.390 9.804 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -0.054 -0.717 8.184 1.00 0.00 H new ATOM 330 N ILE A 20 5.137 -0.942 6.486 1.00 0.00 N ATOM 331 CA ILE A 20 6.604 -1.076 6.423 1.00 0.00 C ATOM 332 C ILE A 20 7.328 0.219 6.832 1.00 0.00 C ATOM 333 O ILE A 20 8.319 0.147 7.559 1.00 0.00 O ATOM 334 CB ILE A 20 7.067 -1.572 5.032 1.00 0.00 C ATOM 335 CG1 ILE A 20 6.364 -2.877 4.588 1.00 0.00 C ATOM 336 CG2 ILE A 20 8.594 -1.766 4.978 1.00 0.00 C ATOM 337 CD1 ILE A 20 6.479 -4.067 5.552 1.00 0.00 C ATOM 0 H ILE A 20 4.689 -1.103 5.584 1.00 0.00 H new ATOM 0 HA ILE A 20 6.883 -1.834 7.155 1.00 0.00 H new ATOM 0 HB ILE A 20 6.779 -0.786 4.334 1.00 0.00 H new ATOM 0 HG12 ILE A 20 5.307 -2.662 4.433 1.00 0.00 H new ATOM 0 HG13 ILE A 20 6.773 -3.176 3.623 1.00 0.00 H new ATOM 0 HG21 ILE A 20 8.882 -2.115 3.986 1.00 0.00 H new ATOM 0 HG22 ILE A 20 9.089 -0.818 5.187 1.00 0.00 H new ATOM 0 HG23 ILE A 20 8.894 -2.503 5.723 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.949 -4.924 5.137 1.00 0.00 H new ATOM 0 HD12 ILE A 20 7.529 -4.322 5.691 1.00 0.00 H new ATOM 0 HD13 ILE A 20 6.040 -3.800 6.513 1.00 0.00 H new ATOM 349 N THR A 21 6.829 1.404 6.452 1.00 0.00 N ATOM 350 CA THR A 21 7.401 2.704 6.873 1.00 0.00 C ATOM 351 C THR A 21 7.480 2.851 8.398 1.00 0.00 C ATOM 352 O THR A 21 8.473 3.365 8.915 1.00 0.00 O ATOM 353 CB THR A 21 6.651 3.926 6.296 1.00 0.00 C ATOM 354 OG1 THR A 21 5.481 3.572 5.591 1.00 0.00 O ATOM 355 CG2 THR A 21 7.534 4.713 5.327 1.00 0.00 C ATOM 0 H THR A 21 6.016 1.495 5.843 1.00 0.00 H new ATOM 0 HA THR A 21 8.409 2.693 6.459 1.00 0.00 H new ATOM 0 HB THR A 21 6.384 4.528 7.165 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.847 3.143 6.203 1.00 0.00 H new ATOM 0 HG21 THR A 21 6.978 5.566 4.939 1.00 0.00 H new ATOM 0 HG22 THR A 21 8.422 5.067 5.850 1.00 0.00 H new ATOM 0 HG23 THR A 21 7.832 4.068 4.501 1.00 0.00 H new ATOM 363 N ASN A 22 6.462 2.389 9.133 1.00 0.00 N ATOM 364 CA ASN A 22 6.465 2.374 10.600 1.00 0.00 C ATOM 365 C ASN A 22 7.316 1.210 11.145 1.00 0.00 C ATOM 366 O ASN A 22 8.074 1.400 12.098 1.00 0.00 O ATOM 367 CB ASN A 22 5.020 2.319 11.128 1.00 0.00 C ATOM 368 CG ASN A 22 4.463 3.714 11.378 1.00 0.00 C ATOM 369 OD1 ASN A 22 4.222 4.492 10.466 1.00 0.00 O ATOM 370 ND2 ASN A 22 4.254 4.086 12.622 1.00 0.00 N ATOM 0 H ASN A 22 5.607 2.012 8.724 1.00 0.00 H new ATOM 0 HA ASN A 22 6.924 3.296 10.958 1.00 0.00 H new ATOM 0 HB2 ASN A 22 4.388 1.798 10.409 1.00 0.00 H new ATOM 0 HB3 ASN A 22 4.991 1.744 12.053 1.00 0.00 H new ATOM 0 HD21 ASN A 22 3.893 5.019 12.822 1.00 0.00 H new ATOM 0 HD22 ASN A 22 4.453 3.442 13.387 1.00 0.00 H new ATOM 377 N TRP A 23 7.235 0.021 10.536 1.00 0.00 N ATOM 378 CA TRP A 23 8.015 -1.162 10.932 1.00 0.00 C ATOM 379 C TRP A 23 9.535 -0.966 10.807 1.00 0.00 C ATOM 380 O TRP A 23 10.295 -1.579 11.555 1.00 0.00 O ATOM 381 CB TRP A 23 7.546 -2.382 10.130 1.00 0.00 C ATOM 382 CG TRP A 23 7.937 -3.725 10.680 1.00 0.00 C ATOM 383 CD1 TRP A 23 7.728 -4.143 11.950 1.00 0.00 C ATOM 384 CD2 TRP A 23 8.570 -4.849 9.990 1.00 0.00 C ATOM 385 NE1 TRP A 23 8.161 -5.448 12.089 1.00 0.00 N ATOM 386 CE2 TRP A 23 8.665 -5.941 10.906 1.00 0.00 C ATOM 387 CE3 TRP A 23 9.065 -5.066 8.685 1.00 0.00 C ATOM 388 CZ2 TRP A 23 9.191 -7.189 10.542 1.00 0.00 C ATOM 389 CZ3 TRP A 23 9.625 -6.307 8.318 1.00 0.00 C ATOM 390 CH2 TRP A 23 9.681 -7.370 9.238 1.00 0.00 C ATOM 0 H TRP A 23 6.617 -0.151 9.743 1.00 0.00 H new ATOM 0 HA TRP A 23 7.830 -1.327 11.993 1.00 0.00 H new ATOM 0 HB2 TRP A 23 6.459 -2.346 10.054 1.00 0.00 H new ATOM 0 HB3 TRP A 23 7.939 -2.298 9.117 1.00 0.00 H new ATOM 0 HD1 TRP A 23 7.289 -3.547 12.736 1.00 0.00 H new ATOM 0 HE1 TRP A 23 8.113 -5.979 12.958 1.00 0.00 H new ATOM 0 HE3 TRP A 23 9.014 -4.270 7.957 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 9.219 -8.000 11.255 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 10.015 -6.443 7.320 1.00 0.00 H new ATOM 0 HH2 TRP A 23 10.099 -8.321 8.943 1.00 0.00 H new ATOM 401 N LEU A 24 9.998 -0.063 9.933 1.00 0.00 N ATOM 402 CA LEU A 24 11.414 0.300 9.786 1.00 0.00 C ATOM 403 C LEU A 24 12.056 0.649 11.146 1.00 0.00 C ATOM 404 O LEU A 24 13.139 0.157 11.459 1.00 0.00 O ATOM 405 CB LEU A 24 11.558 1.470 8.785 1.00 0.00 C ATOM 406 CG LEU A 24 12.458 1.136 7.584 1.00 0.00 C ATOM 407 CD1 LEU A 24 11.733 0.246 6.573 1.00 0.00 C ATOM 408 CD2 LEU A 24 12.884 2.418 6.866 1.00 0.00 C ATOM 0 H LEU A 24 9.386 0.446 9.295 1.00 0.00 H new ATOM 0 HA LEU A 24 11.949 -0.565 9.394 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.570 1.752 8.422 1.00 0.00 H new ATOM 0 HB3 LEU A 24 11.966 2.336 9.306 1.00 0.00 H new ATOM 0 HG LEU A 24 13.329 0.608 7.973 1.00 0.00 H new ATOM 0 HD11 LEU A 24 12.398 0.029 5.737 1.00 0.00 H new ATOM 0 HD12 LEU A 24 11.439 -0.687 7.054 1.00 0.00 H new ATOM 0 HD13 LEU A 24 10.845 0.761 6.206 1.00 0.00 H new ATOM 0 HD21 LEU A 24 13.521 2.166 6.018 1.00 0.00 H new ATOM 0 HD22 LEU A 24 12.000 2.947 6.511 1.00 0.00 H new ATOM 0 HD23 LEU A 24 13.436 3.056 7.557 1.00 0.00 H new ATOM 420 N TRP A 25 11.359 1.440 11.971 1.00 0.00 N ATOM 421 CA TRP A 25 11.768 1.834 13.328 1.00 0.00 C ATOM 422 C TRP A 25 11.826 0.673 14.338 1.00 0.00 C ATOM 423 O TRP A 25 12.563 0.753 15.321 1.00 0.00 O ATOM 424 CB TRP A 25 10.800 2.904 13.855 1.00 0.00 C ATOM 425 CG TRP A 25 10.921 4.264 13.237 1.00 0.00 C ATOM 426 CD1 TRP A 25 10.289 4.692 12.119 1.00 0.00 C ATOM 427 CD2 TRP A 25 11.699 5.402 13.721 1.00 0.00 C ATOM 428 NE1 TRP A 25 10.622 6.014 11.881 1.00 0.00 N ATOM 429 CE2 TRP A 25 11.480 6.504 12.845 1.00 0.00 C ATOM 430 CE3 TRP A 25 12.560 5.615 14.823 1.00 0.00 C ATOM 431 CZ2 TRP A 25 12.076 7.759 13.052 1.00 0.00 C ATOM 432 CZ3 TRP A 25 13.164 6.869 15.040 1.00 0.00 C ATOM 433 CH2 TRP A 25 12.924 7.940 14.160 1.00 0.00 C ATOM 0 H TRP A 25 10.460 1.839 11.703 1.00 0.00 H new ATOM 0 HA TRP A 25 12.786 2.214 13.239 1.00 0.00 H new ATOM 0 HB2 TRP A 25 9.781 2.548 13.705 1.00 0.00 H new ATOM 0 HB3 TRP A 25 10.949 3.001 14.930 1.00 0.00 H new ATOM 0 HD1 TRP A 25 9.628 4.095 11.508 1.00 0.00 H new ATOM 0 HE1 TRP A 25 10.276 6.559 11.091 1.00 0.00 H new ATOM 0 HE3 TRP A 25 12.757 4.804 15.508 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 11.886 8.574 12.370 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 13.817 7.009 15.889 1.00 0.00 H new ATOM 0 HH2 TRP A 25 13.390 8.899 14.334 1.00 0.00 H new ATOM 444 N TYR A 26 11.049 -0.398 14.135 1.00 0.00 N ATOM 445 CA TYR A 26 11.107 -1.604 14.978 1.00 0.00 C ATOM 446 C TYR A 26 12.386 -2.405 14.694 1.00 0.00 C ATOM 447 O TYR A 26 13.016 -2.922 15.622 1.00 0.00 O ATOM 448 CB TYR A 26 9.863 -2.488 14.764 1.00 0.00 C ATOM 449 CG TYR A 26 8.640 -2.124 15.590 1.00 0.00 C ATOM 450 CD1 TYR A 26 8.235 -0.783 15.755 1.00 0.00 C ATOM 451 CD2 TYR A 26 7.900 -3.155 16.202 1.00 0.00 C ATOM 452 CE1 TYR A 26 7.121 -0.471 16.559 1.00 0.00 C ATOM 453 CE2 TYR A 26 6.781 -2.849 17.000 1.00 0.00 C ATOM 454 CZ TYR A 26 6.394 -1.505 17.190 1.00 0.00 C ATOM 455 OH TYR A 26 5.322 -1.215 17.980 1.00 0.00 O ATOM 0 H TYR A 26 10.362 -0.455 13.383 1.00 0.00 H new ATOM 0 HA TYR A 26 11.123 -1.283 16.020 1.00 0.00 H new ATOM 0 HB2 TYR A 26 9.590 -2.449 13.709 1.00 0.00 H new ATOM 0 HB3 TYR A 26 10.133 -3.521 14.985 1.00 0.00 H new ATOM 0 HD1 TYR A 26 8.781 0.008 15.263 1.00 0.00 H new ATOM 0 HD2 TYR A 26 8.192 -4.185 16.058 1.00 0.00 H new ATOM 0 HE1 TYR A 26 6.823 0.558 16.693 1.00 0.00 H new ATOM 0 HE2 TYR A 26 6.218 -3.644 17.467 1.00 0.00 H new ATOM 0 HH TYR A 26 4.941 -2.046 18.332 1.00 0.00 H new ATOM 465 N ILE A 27 12.773 -2.504 13.419 1.00 0.00 N ATOM 466 CA ILE A 27 13.968 -3.238 12.972 1.00 0.00 C ATOM 467 C ILE A 27 15.267 -2.459 13.254 1.00 0.00 C ATOM 468 O ILE A 27 16.195 -3.016 13.848 1.00 0.00 O ATOM 469 CB ILE A 27 13.852 -3.604 11.475 1.00 0.00 C ATOM 470 CG1 ILE A 27 12.540 -4.338 11.120 1.00 0.00 C ATOM 471 CG2 ILE A 27 15.054 -4.456 11.025 1.00 0.00 C ATOM 472 CD1 ILE A 27 12.163 -5.524 12.021 1.00 0.00 C ATOM 0 H ILE A 27 12.258 -2.070 12.653 1.00 0.00 H new ATOM 0 HA ILE A 27 14.021 -4.160 13.551 1.00 0.00 H new ATOM 0 HB ILE A 27 13.845 -2.655 10.939 1.00 0.00 H new ATOM 0 HG12 ILE A 27 11.725 -3.615 11.146 1.00 0.00 H new ATOM 0 HG13 ILE A 27 12.615 -4.697 10.094 1.00 0.00 H new ATOM 0 HG21 ILE A 27 14.951 -4.702 9.968 1.00 0.00 H new ATOM 0 HG22 ILE A 27 15.976 -3.895 11.179 1.00 0.00 H new ATOM 0 HG23 ILE A 27 15.087 -5.375 11.609 1.00 0.00 H new ATOM 0 HD11 ILE A 27 11.225 -5.960 11.676 1.00 0.00 H new ATOM 0 HD12 ILE A 27 12.950 -6.277 11.979 1.00 0.00 H new ATOM 0 HD13 ILE A 27 12.046 -5.178 13.048 1.00 0.00 H new ATOM 484 N LYS A 28 15.337 -1.187 12.835 1.00 0.00 N ATOM 485 CA LYS A 28 16.470 -0.264 13.068 1.00 0.00 C ATOM 486 C LYS A 28 16.458 0.352 14.478 1.00 0.00 C ATOM 487 O LYS A 28 17.175 -0.176 15.360 1.00 0.00 O ATOM 488 CB LYS A 28 16.535 0.798 11.958 1.00 0.00 C ATOM 489 CG LYS A 28 17.315 0.260 10.746 1.00 0.00 C ATOM 490 CD LYS A 28 16.663 0.676 9.432 1.00 0.00 C ATOM 491 CE LYS A 28 17.543 0.217 8.260 1.00 0.00 C ATOM 492 NZ LYS A 28 17.093 0.784 6.963 1.00 0.00 N ATOM 493 OXT LYS A 28 15.765 1.371 14.700 1.00 0.00 O ATOM 0 H LYS A 28 14.582 -0.752 12.305 1.00 0.00 H new ATOM 0 HA LYS A 28 17.388 -0.850 13.022 1.00 0.00 H new ATOM 0 HB2 LYS A 28 15.526 1.078 11.654 1.00 0.00 H new ATOM 0 HB3 LYS A 28 17.016 1.700 12.337 1.00 0.00 H new ATOM 0 HG2 LYS A 28 18.340 0.630 10.778 1.00 0.00 H new ATOM 0 HG3 LYS A 28 17.367 -0.827 10.799 1.00 0.00 H new ATOM 0 HD2 LYS A 28 15.670 0.235 9.350 1.00 0.00 H new ATOM 0 HD3 LYS A 28 16.535 1.758 9.403 1.00 0.00 H new ATOM 0 HE2 LYS A 28 18.575 0.514 8.445 1.00 0.00 H new ATOM 0 HE3 LYS A 28 17.530 -0.871 8.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 17.716 0.447 6.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 16.117 0.480 6.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 17.130 1.822 7.006 1.00 0.00 H new TER 507 LYS A 28