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 K(o=0,f=-0.83) 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) USER MOD Single : A 19 ASN : amide:sc=-0.000427 X(o=-0.00043,f=0) USER MOD Single : A 21 THR OG1 : rot -15:sc= 0.0508 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.42) 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 -14.538 -8.016 -13.218 1.00 0.00 N ATOM 2 CA ASN A 1 -13.195 -7.458 -13.527 1.00 0.00 C ATOM 3 C ASN A 1 -13.318 -6.263 -14.469 1.00 0.00 C ATOM 4 O ASN A 1 -13.709 -6.418 -15.625 1.00 0.00 O ATOM 5 CB ASN A 1 -12.235 -8.525 -14.105 1.00 0.00 C ATOM 6 CG ASN A 1 -11.550 -9.319 -12.994 1.00 0.00 C ATOM 7 OD1 ASN A 1 -12.198 -9.886 -12.124 1.00 0.00 O ATOM 8 ND2 ASN A 1 -10.232 -9.367 -12.964 1.00 0.00 N ATOM 0 H1 ASN A 1 -14.437 -8.828 -12.576 1.00 0.00 H new ATOM 0 H2 ASN A 1 -15.121 -7.285 -12.763 1.00 0.00 H new ATOM 0 H3 ASN A 1 -14.996 -8.326 -14.099 1.00 0.00 H new ATOM 0 HA ASN A 1 -12.759 -7.119 -12.587 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -12.791 -9.205 -14.751 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -11.481 -8.040 -14.726 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -9.757 -9.875 -12.218 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -9.688 -8.896 -13.687 1.00 0.00 H new ATOM 17 N GLU A 2 -12.981 -5.065 -13.983 1.00 0.00 N ATOM 18 CA GLU A 2 -12.951 -3.810 -14.752 1.00 0.00 C ATOM 19 C GLU A 2 -11.738 -2.950 -14.347 1.00 0.00 C ATOM 20 O GLU A 2 -11.243 -3.057 -13.221 1.00 0.00 O ATOM 21 CB GLU A 2 -14.257 -3.025 -14.502 1.00 0.00 C ATOM 22 CG GLU A 2 -14.851 -2.411 -15.776 1.00 0.00 C ATOM 23 CD GLU A 2 -15.591 -3.459 -16.634 1.00 0.00 C ATOM 24 OE1 GLU A 2 -16.707 -3.888 -16.250 1.00 0.00 O ATOM 25 OE2 GLU A 2 -15.074 -3.838 -17.714 1.00 0.00 O ATOM 0 H GLU A 2 -12.711 -4.934 -13.008 1.00 0.00 H new ATOM 0 HA GLU A 2 -12.863 -4.049 -15.812 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -14.992 -3.692 -14.052 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -14.063 -2.231 -13.781 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -15.541 -1.612 -15.505 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -14.054 -1.958 -16.365 1.00 0.00 H new ATOM 32 N GLN A 3 -11.291 -2.045 -15.228 1.00 0.00 N ATOM 33 CA GLN A 3 -10.176 -1.129 -14.933 1.00 0.00 C ATOM 34 C GLN A 3 -10.455 -0.178 -13.750 1.00 0.00 C ATOM 35 O GLN A 3 -9.521 0.226 -13.060 1.00 0.00 O ATOM 36 CB GLN A 3 -9.758 -0.353 -16.195 1.00 0.00 C ATOM 37 CG GLN A 3 -10.816 0.638 -16.709 1.00 0.00 C ATOM 38 CD GLN A 3 -10.287 1.494 -17.860 1.00 0.00 C ATOM 39 OE1 GLN A 3 -9.425 2.349 -17.694 1.00 0.00 O ATOM 40 NE2 GLN A 3 -10.777 1.316 -19.070 1.00 0.00 N ATOM 0 H GLN A 3 -11.688 -1.926 -16.160 1.00 0.00 H new ATOM 0 HA GLN A 3 -9.341 -1.754 -14.615 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -8.838 0.193 -15.984 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -9.530 -1.066 -16.987 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -11.697 0.088 -17.041 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -11.134 1.286 -15.892 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -11.495 0.610 -19.231 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -10.438 1.884 -19.846 1.00 0.00 H new ATOM 49 N GLU A 4 -11.724 0.137 -13.461 1.00 0.00 N ATOM 50 CA GLU A 4 -12.127 0.963 -12.308 1.00 0.00 C ATOM 51 C GLU A 4 -11.692 0.364 -10.959 1.00 0.00 C ATOM 52 O GLU A 4 -11.337 1.104 -10.038 1.00 0.00 O ATOM 53 CB GLU A 4 -13.655 1.161 -12.299 1.00 0.00 C ATOM 54 CG GLU A 4 -14.131 2.387 -13.087 1.00 0.00 C ATOM 55 CD GLU A 4 -13.994 2.227 -14.613 1.00 0.00 C ATOM 56 OE1 GLU A 4 -14.733 1.406 -15.208 1.00 0.00 O ATOM 57 OE2 GLU A 4 -13.170 2.944 -15.230 1.00 0.00 O ATOM 0 H GLU A 4 -12.512 -0.177 -14.027 1.00 0.00 H new ATOM 0 HA GLU A 4 -11.619 1.920 -12.425 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -14.129 0.270 -12.712 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -13.993 1.252 -11.267 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -15.175 2.584 -12.842 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -13.559 3.259 -12.768 1.00 0.00 H new ATOM 64 N LEU A 5 -11.696 -0.969 -10.832 1.00 0.00 N ATOM 65 CA LEU A 5 -11.246 -1.661 -9.622 1.00 0.00 C ATOM 66 C LEU A 5 -9.716 -1.598 -9.489 1.00 0.00 C ATOM 67 O LEU A 5 -9.195 -1.300 -8.414 1.00 0.00 O ATOM 68 CB LEU A 5 -11.791 -3.103 -9.647 1.00 0.00 C ATOM 69 CG LEU A 5 -11.844 -3.752 -8.246 1.00 0.00 C ATOM 70 CD1 LEU A 5 -13.151 -4.526 -8.058 1.00 0.00 C ATOM 71 CD2 LEU A 5 -10.681 -4.720 -8.024 1.00 0.00 C ATOM 0 H LEU A 5 -12.013 -1.598 -11.569 1.00 0.00 H new ATOM 0 HA LEU A 5 -11.639 -1.165 -8.734 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -12.792 -3.100 -10.078 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -11.165 -3.711 -10.300 1.00 0.00 H new ATOM 0 HG LEU A 5 -11.777 -2.939 -7.523 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -13.168 -4.975 -7.065 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -13.996 -3.845 -8.163 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -13.221 -5.310 -8.812 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -10.755 -5.155 -7.027 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -10.721 -5.514 -8.770 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -9.737 -4.182 -8.116 1.00 0.00 H new ATOM 83 N LEU A 6 -8.998 -1.817 -10.598 1.00 0.00 N ATOM 84 CA LEU A 6 -7.536 -1.719 -10.695 1.00 0.00 C ATOM 85 C LEU A 6 -6.999 -0.307 -10.399 1.00 0.00 C ATOM 86 O LEU A 6 -5.979 -0.174 -9.726 1.00 0.00 O ATOM 87 CB LEU A 6 -7.097 -2.177 -12.099 1.00 0.00 C ATOM 88 CG LEU A 6 -7.002 -3.708 -12.225 1.00 0.00 C ATOM 89 CD1 LEU A 6 -7.310 -4.157 -13.653 1.00 0.00 C ATOM 90 CD2 LEU A 6 -5.597 -4.189 -11.856 1.00 0.00 C ATOM 0 H LEU A 6 -9.434 -2.076 -11.483 1.00 0.00 H new ATOM 0 HA LEU A 6 -7.112 -2.368 -9.929 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -7.805 -1.800 -12.837 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -6.128 -1.737 -12.333 1.00 0.00 H new ATOM 0 HG LEU A 6 -7.734 -4.140 -11.542 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -7.236 -5.243 -13.717 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -8.319 -3.845 -13.923 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -6.594 -3.704 -14.339 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -5.547 -5.274 -11.950 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -4.868 -3.733 -12.526 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -5.373 -3.904 -10.828 1.00 0.00 H new ATOM 102 N GLU A 7 -7.686 0.748 -10.852 1.00 0.00 N ATOM 103 CA GLU A 7 -7.345 2.152 -10.559 1.00 0.00 C ATOM 104 C GLU A 7 -7.195 2.404 -9.049 1.00 0.00 C ATOM 105 O GLU A 7 -6.215 3.013 -8.608 1.00 0.00 O ATOM 106 CB GLU A 7 -8.427 3.086 -11.135 1.00 0.00 C ATOM 107 CG GLU A 7 -8.377 3.243 -12.662 1.00 0.00 C ATOM 108 CD GLU A 7 -7.613 4.515 -13.077 1.00 0.00 C ATOM 109 OE1 GLU A 7 -6.365 4.465 -13.208 1.00 0.00 O ATOM 110 OE2 GLU A 7 -8.254 5.577 -13.274 1.00 0.00 O ATOM 0 H GLU A 7 -8.511 0.652 -11.444 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.384 2.362 -11.029 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.408 2.704 -10.852 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.323 4.069 -10.677 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -7.897 2.369 -13.103 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.392 3.282 -13.058 1.00 0.00 H new ATOM 117 N LEU A 8 -8.148 1.911 -8.248 1.00 0.00 N ATOM 118 CA LEU A 8 -8.125 2.024 -6.787 1.00 0.00 C ATOM 119 C LEU A 8 -7.203 0.983 -6.123 1.00 0.00 C ATOM 120 O LEU A 8 -6.627 1.262 -5.074 1.00 0.00 O ATOM 121 CB LEU A 8 -9.575 1.955 -6.267 1.00 0.00 C ATOM 122 CG LEU A 8 -9.789 2.768 -4.969 1.00 0.00 C ATOM 123 CD1 LEU A 8 -11.056 3.622 -5.073 1.00 0.00 C ATOM 124 CD2 LEU A 8 -9.916 1.870 -3.739 1.00 0.00 C ATOM 0 H LEU A 8 -8.967 1.416 -8.603 1.00 0.00 H new ATOM 0 HA LEU A 8 -7.693 2.986 -6.511 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -10.250 2.327 -7.038 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -9.841 0.914 -6.085 1.00 0.00 H new ATOM 0 HG LEU A 8 -8.909 3.401 -4.852 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -11.191 4.187 -4.151 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -10.962 4.312 -5.911 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -11.919 2.975 -5.231 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -10.065 2.486 -2.852 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -10.768 1.201 -3.863 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -9.006 1.281 -3.623 1.00 0.00 H new ATOM 136 N ASP A 9 -6.996 -0.184 -6.743 1.00 0.00 N ATOM 137 CA ASP A 9 -6.071 -1.233 -6.281 1.00 0.00 C ATOM 138 C ASP A 9 -4.616 -0.733 -6.186 1.00 0.00 C ATOM 139 O ASP A 9 -3.947 -0.951 -5.175 1.00 0.00 O ATOM 140 CB ASP A 9 -6.157 -2.457 -7.208 1.00 0.00 C ATOM 141 CG ASP A 9 -5.473 -3.716 -6.640 1.00 0.00 C ATOM 142 OD1 ASP A 9 -5.504 -3.941 -5.407 1.00 0.00 O ATOM 143 OD2 ASP A 9 -4.933 -4.514 -7.443 1.00 0.00 O ATOM 0 H ASP A 9 -7.480 -0.435 -7.605 1.00 0.00 H new ATOM 0 HA ASP A 9 -6.377 -1.516 -5.274 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.206 -2.681 -7.402 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -5.701 -2.208 -8.166 1.00 0.00 H new ATOM 148 N LYS A 10 -4.129 -0.009 -7.208 1.00 0.00 N ATOM 149 CA LYS A 10 -2.790 0.613 -7.185 1.00 0.00 C ATOM 150 C LYS A 10 -2.636 1.607 -6.025 1.00 0.00 C ATOM 151 O LYS A 10 -1.602 1.624 -5.358 1.00 0.00 O ATOM 152 CB LYS A 10 -2.473 1.307 -8.523 1.00 0.00 C ATOM 153 CG LYS A 10 -2.471 0.400 -9.768 1.00 0.00 C ATOM 154 CD LYS A 10 -1.655 -0.893 -9.601 1.00 0.00 C ATOM 155 CE LYS A 10 -1.507 -1.663 -10.922 1.00 0.00 C ATOM 156 NZ LYS A 10 -0.466 -1.071 -11.806 1.00 0.00 N ATOM 0 H LYS A 10 -4.647 0.162 -8.070 1.00 0.00 H new ATOM 0 HA LYS A 10 -2.074 -0.194 -7.031 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.201 2.103 -8.679 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.495 1.781 -8.441 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.500 0.138 -10.015 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.073 0.962 -10.613 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.666 -0.649 -9.213 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.138 -1.532 -8.862 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.252 -2.701 -10.709 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.463 -1.671 -11.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.402 -1.623 -12.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.721 -0.088 -12.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 0.453 -1.087 -11.319 1.00 0.00 H new ATOM 170 N TRP A 11 -3.671 2.404 -5.758 1.00 0.00 N ATOM 171 CA TRP A 11 -3.715 3.333 -4.621 1.00 0.00 C ATOM 172 C TRP A 11 -3.790 2.620 -3.257 1.00 0.00 C ATOM 173 O TRP A 11 -3.199 3.083 -2.282 1.00 0.00 O ATOM 174 CB TRP A 11 -4.879 4.316 -4.805 1.00 0.00 C ATOM 175 CG TRP A 11 -4.744 5.572 -4.001 1.00 0.00 C ATOM 176 CD1 TRP A 11 -5.395 5.852 -2.849 1.00 0.00 C ATOM 177 CD2 TRP A 11 -3.877 6.719 -4.265 1.00 0.00 C ATOM 178 NE1 TRP A 11 -4.992 7.092 -2.383 1.00 0.00 N ATOM 179 CE2 TRP A 11 -4.053 7.667 -3.214 1.00 0.00 C ATOM 180 CE3 TRP A 11 -2.956 7.052 -5.284 1.00 0.00 C ATOM 181 CZ2 TRP A 11 -3.352 8.882 -3.173 1.00 0.00 C ATOM 182 CZ3 TRP A 11 -2.247 8.269 -5.253 1.00 0.00 C ATOM 183 CH2 TRP A 11 -2.442 9.183 -4.202 1.00 0.00 C ATOM 0 H TRP A 11 -4.515 2.425 -6.331 1.00 0.00 H new ATOM 0 HA TRP A 11 -2.774 3.883 -4.610 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -4.957 4.578 -5.860 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -5.809 3.818 -4.530 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -6.117 5.209 -2.368 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -5.346 7.527 -1.531 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -2.793 6.363 -6.099 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -3.509 9.577 -2.362 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -1.548 8.502 -6.043 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -1.894 10.114 -4.185 1.00 0.00 H new ATOM 194 N ALA A 12 -4.452 1.460 -3.173 1.00 0.00 N ATOM 195 CA ALA A 12 -4.506 0.637 -1.961 1.00 0.00 C ATOM 196 C ALA A 12 -3.133 0.051 -1.555 1.00 0.00 C ATOM 197 O ALA A 12 -2.872 -0.132 -0.364 1.00 0.00 O ATOM 198 CB ALA A 12 -5.563 -0.458 -2.150 1.00 0.00 C ATOM 0 H ALA A 12 -4.972 1.062 -3.955 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.791 1.280 -1.129 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.611 -1.076 -1.253 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -6.536 0.002 -2.326 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -5.295 -1.079 -3.005 1.00 0.00 H new ATOM 204 N SER A 13 -2.220 -0.191 -2.506 1.00 0.00 N ATOM 205 CA SER A 13 -0.847 -0.647 -2.209 1.00 0.00 C ATOM 206 C SER A 13 -0.019 0.381 -1.420 1.00 0.00 C ATOM 207 O SER A 13 0.824 -0.011 -0.610 1.00 0.00 O ATOM 208 CB SER A 13 -0.100 -1.028 -3.492 1.00 0.00 C ATOM 209 OG SER A 13 -0.685 -2.182 -4.078 1.00 0.00 O ATOM 0 H SER A 13 -2.408 -0.078 -3.502 1.00 0.00 H new ATOM 0 HA SER A 13 -0.963 -1.526 -1.575 1.00 0.00 H new ATOM 0 HB2 SER A 13 -0.130 -0.198 -4.198 1.00 0.00 H new ATOM 0 HB3 SER A 13 0.950 -1.218 -3.267 1.00 0.00 H new ATOM 0 HG SER A 13 -0.200 -2.414 -4.897 1.00 0.00 H new ATOM 215 N LEU A 14 -0.273 1.689 -1.587 1.00 0.00 N ATOM 216 CA LEU A 14 0.384 2.756 -0.810 1.00 0.00 C ATOM 217 C LEU A 14 0.087 2.641 0.696 1.00 0.00 C ATOM 218 O LEU A 14 0.989 2.813 1.518 1.00 0.00 O ATOM 219 CB LEU A 14 -0.029 4.147 -1.339 1.00 0.00 C ATOM 220 CG LEU A 14 1.011 4.820 -2.250 1.00 0.00 C ATOM 221 CD1 LEU A 14 0.433 6.114 -2.828 1.00 0.00 C ATOM 222 CD2 LEU A 14 2.290 5.181 -1.486 1.00 0.00 C ATOM 0 H LEU A 14 -0.945 2.040 -2.270 1.00 0.00 H new ATOM 0 HA LEU A 14 1.459 2.635 -0.939 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.965 4.049 -1.889 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.226 4.801 -0.489 1.00 0.00 H new ATOM 0 HG LEU A 14 1.254 4.108 -3.039 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.174 6.587 -3.473 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.461 5.886 -3.409 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.174 6.792 -2.015 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.999 5.654 -2.166 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.048 5.870 -0.677 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.734 4.276 -1.071 1.00 0.00 H new ATOM 234 N TRP A 15 -1.156 2.308 1.063 1.00 0.00 N ATOM 235 CA TRP A 15 -1.549 2.061 2.458 1.00 0.00 C ATOM 236 C TRP A 15 -0.768 0.894 3.080 1.00 0.00 C ATOM 237 O TRP A 15 -0.393 0.955 4.252 1.00 0.00 O ATOM 238 CB TRP A 15 -3.063 1.812 2.546 1.00 0.00 C ATOM 239 CG TRP A 15 -3.886 3.040 2.766 1.00 0.00 C ATOM 240 CD1 TRP A 15 -4.687 3.648 1.860 1.00 0.00 C ATOM 241 CD2 TRP A 15 -4.005 3.814 3.998 1.00 0.00 C ATOM 242 NE1 TRP A 15 -5.300 4.740 2.454 1.00 0.00 N ATOM 243 CE2 TRP A 15 -4.916 4.886 3.771 1.00 0.00 C ATOM 244 CE3 TRP A 15 -3.431 3.710 5.284 1.00 0.00 C ATOM 245 CZ2 TRP A 15 -5.251 5.808 4.777 1.00 0.00 C ATOM 246 CZ3 TRP A 15 -3.756 4.631 6.298 1.00 0.00 C ATOM 247 CH2 TRP A 15 -4.665 5.675 6.048 1.00 0.00 C ATOM 0 H TRP A 15 -1.922 2.201 0.398 1.00 0.00 H new ATOM 0 HA TRP A 15 -1.301 2.953 3.034 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -3.392 1.330 1.625 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -3.256 1.112 3.359 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -4.826 3.332 0.837 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -5.955 5.359 1.976 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -2.733 2.913 5.493 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -5.949 6.608 4.577 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -3.304 4.535 7.274 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -4.913 6.375 6.833 1.00 0.00 H new ATOM 258 N ASN A 16 -0.478 -0.151 2.297 1.00 0.00 N ATOM 259 CA ASN A 16 0.348 -1.279 2.731 1.00 0.00 C ATOM 260 C ASN A 16 1.828 -0.877 2.896 1.00 0.00 C ATOM 261 O ASN A 16 2.458 -1.246 3.888 1.00 0.00 O ATOM 262 CB ASN A 16 0.162 -2.457 1.752 1.00 0.00 C ATOM 263 CG ASN A 16 -0.122 -3.756 2.489 1.00 0.00 C ATOM 264 OD1 ASN A 16 -1.237 -4.260 2.501 1.00 0.00 O ATOM 265 ND2 ASN A 16 0.858 -4.337 3.144 1.00 0.00 N ATOM 0 H ASN A 16 -0.813 -0.237 1.337 1.00 0.00 H new ATOM 0 HA ASN A 16 0.019 -1.600 3.719 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -0.659 -2.238 1.070 1.00 0.00 H new ATOM 0 HB3 ASN A 16 1.060 -2.571 1.144 1.00 0.00 H new ATOM 0 HD21 ASN A 16 0.686 -5.202 3.657 1.00 0.00 H new ATOM 0 HD22 ASN A 16 1.790 -3.923 3.139 1.00 0.00 H new ATOM 272 N TRP A 17 2.379 -0.084 1.967 1.00 0.00 N ATOM 273 CA TRP A 17 3.746 0.454 2.052 1.00 0.00 C ATOM 274 C TRP A 17 3.971 1.341 3.289 1.00 0.00 C ATOM 275 O TRP A 17 5.034 1.268 3.907 1.00 0.00 O ATOM 276 CB TRP A 17 4.101 1.212 0.768 1.00 0.00 C ATOM 277 CG TRP A 17 5.498 1.760 0.736 1.00 0.00 C ATOM 278 CD1 TRP A 17 6.628 1.015 0.684 1.00 0.00 C ATOM 279 CD2 TRP A 17 5.939 3.153 0.793 1.00 0.00 C ATOM 280 NE1 TRP A 17 7.732 1.847 0.699 1.00 0.00 N ATOM 281 CE2 TRP A 17 7.367 3.175 0.759 1.00 0.00 C ATOM 282 CE3 TRP A 17 5.282 4.403 0.870 1.00 0.00 C ATOM 283 CZ2 TRP A 17 8.103 4.369 0.791 1.00 0.00 C ATOM 284 CZ3 TRP A 17 6.012 5.608 0.899 1.00 0.00 C ATOM 285 CH2 TRP A 17 7.417 5.594 0.859 1.00 0.00 C ATOM 0 H TRP A 17 1.883 0.206 1.124 1.00 0.00 H new ATOM 0 HA TRP A 17 4.414 -0.400 2.163 1.00 0.00 H new ATOM 0 HB2 TRP A 17 3.967 0.544 -0.083 1.00 0.00 H new ATOM 0 HB3 TRP A 17 3.398 2.035 0.641 1.00 0.00 H new ATOM 0 HD1 TRP A 17 6.661 -0.063 0.638 1.00 0.00 H new ATOM 0 HE1 TRP A 17 8.697 1.519 0.669 1.00 0.00 H new ATOM 0 HE3 TRP A 17 4.203 4.435 0.907 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 9.182 4.347 0.764 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 5.487 6.551 0.952 1.00 0.00 H new ATOM 0 HH2 TRP A 17 7.968 6.522 0.880 1.00 0.00 H new ATOM 296 N PHE A 18 2.965 2.117 3.713 1.00 0.00 N ATOM 297 CA PHE A 18 3.032 2.922 4.943 1.00 0.00 C ATOM 298 C PHE A 18 3.306 2.065 6.197 1.00 0.00 C ATOM 299 O PHE A 18 3.935 2.525 7.153 1.00 0.00 O ATOM 300 CB PHE A 18 1.741 3.736 5.103 1.00 0.00 C ATOM 301 CG PHE A 18 1.840 4.824 6.157 1.00 0.00 C ATOM 302 CD1 PHE A 18 2.325 6.098 5.806 1.00 0.00 C ATOM 303 CD2 PHE A 18 1.483 4.561 7.495 1.00 0.00 C ATOM 304 CE1 PHE A 18 2.456 7.102 6.784 1.00 0.00 C ATOM 305 CE2 PHE A 18 1.623 5.561 8.475 1.00 0.00 C ATOM 306 CZ PHE A 18 2.109 6.831 8.119 1.00 0.00 C ATOM 0 H PHE A 18 2.080 2.205 3.213 1.00 0.00 H new ATOM 0 HA PHE A 18 3.877 3.603 4.847 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.486 4.190 4.146 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.925 3.062 5.363 1.00 0.00 H new ATOM 0 HD1 PHE A 18 2.598 6.306 4.782 1.00 0.00 H new ATOM 0 HD2 PHE A 18 1.101 3.589 7.769 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.823 8.080 6.509 1.00 0.00 H new ATOM 0 HE2 PHE A 18 1.357 5.353 9.501 1.00 0.00 H new ATOM 0 HZ PHE A 18 2.216 7.599 8.871 1.00 0.00 H new ATOM 316 N ASN A 19 2.863 0.801 6.209 1.00 0.00 N ATOM 317 CA ASN A 19 3.162 -0.123 7.304 1.00 0.00 C ATOM 318 C ASN A 19 4.636 -0.570 7.271 1.00 0.00 C ATOM 319 O ASN A 19 5.250 -0.684 8.328 1.00 0.00 O ATOM 320 CB ASN A 19 2.194 -1.325 7.275 1.00 0.00 C ATOM 321 CG ASN A 19 1.374 -1.428 8.552 1.00 0.00 C ATOM 322 OD1 ASN A 19 0.153 -1.376 8.542 1.00 0.00 O ATOM 323 ND2 ASN A 19 2.010 -1.569 9.695 1.00 0.00 N ATOM 0 H ASN A 19 2.293 0.396 5.466 1.00 0.00 H new ATOM 0 HA ASN A 19 3.012 0.401 8.248 1.00 0.00 H new ATOM 0 HB2 ASN A 19 1.524 -1.230 6.421 1.00 0.00 H new ATOM 0 HB3 ASN A 19 2.762 -2.245 7.134 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.484 -1.634 10.567 1.00 0.00 H new ATOM 0 HD22 ASN A 19 3.029 -1.613 9.710 1.00 0.00 H new ATOM 330 N ILE A 20 5.215 -0.784 6.081 1.00 0.00 N ATOM 331 CA ILE A 20 6.627 -1.157 5.880 1.00 0.00 C ATOM 332 C ILE A 20 7.575 -0.065 6.391 1.00 0.00 C ATOM 333 O ILE A 20 8.483 -0.363 7.170 1.00 0.00 O ATOM 334 CB ILE A 20 6.919 -1.501 4.400 1.00 0.00 C ATOM 335 CG1 ILE A 20 5.984 -2.599 3.846 1.00 0.00 C ATOM 336 CG2 ILE A 20 8.389 -1.910 4.192 1.00 0.00 C ATOM 337 CD1 ILE A 20 5.994 -3.933 4.607 1.00 0.00 C ATOM 0 H ILE A 20 4.700 -0.700 5.204 1.00 0.00 H new ATOM 0 HA ILE A 20 6.810 -2.056 6.469 1.00 0.00 H new ATOM 0 HB ILE A 20 6.724 -0.587 3.839 1.00 0.00 H new ATOM 0 HG12 ILE A 20 4.965 -2.213 3.841 1.00 0.00 H new ATOM 0 HG13 ILE A 20 6.257 -2.792 2.809 1.00 0.00 H new ATOM 0 HG21 ILE A 20 8.556 -2.144 3.141 1.00 0.00 H new ATOM 0 HG22 ILE A 20 9.041 -1.088 4.489 1.00 0.00 H new ATOM 0 HG23 ILE A 20 8.612 -2.787 4.799 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.302 -4.628 4.132 1.00 0.00 H new ATOM 0 HD12 ILE A 20 6.999 -4.354 4.591 1.00 0.00 H new ATOM 0 HD13 ILE A 20 5.687 -3.765 5.639 1.00 0.00 H new ATOM 349 N THR A 21 7.362 1.197 5.999 1.00 0.00 N ATOM 350 CA THR A 21 8.210 2.334 6.419 1.00 0.00 C ATOM 351 C THR A 21 8.297 2.475 7.945 1.00 0.00 C ATOM 352 O THR A 21 9.352 2.835 8.470 1.00 0.00 O ATOM 353 CB THR A 21 7.758 3.672 5.807 1.00 0.00 C ATOM 354 OG1 THR A 21 6.436 3.977 6.186 1.00 0.00 O ATOM 355 CG2 THR A 21 7.810 3.675 4.280 1.00 0.00 C ATOM 0 H THR A 21 6.597 1.466 5.380 1.00 0.00 H new ATOM 0 HA THR A 21 9.203 2.098 6.036 1.00 0.00 H new ATOM 0 HB THR A 21 8.457 4.417 6.188 1.00 0.00 H new ATOM 0 HG1 THR A 21 6.008 3.176 6.554 1.00 0.00 H new ATOM 0 HG21 THR A 21 7.480 4.644 3.907 1.00 0.00 H new ATOM 0 HG22 THR A 21 8.832 3.488 3.950 1.00 0.00 H new ATOM 0 HG23 THR A 21 7.155 2.895 3.892 1.00 0.00 H new ATOM 363 N ASN A 22 7.219 2.148 8.668 1.00 0.00 N ATOM 364 CA ASN A 22 7.183 2.130 10.131 1.00 0.00 C ATOM 365 C ASN A 22 7.765 0.824 10.718 1.00 0.00 C ATOM 366 O ASN A 22 8.547 0.874 11.667 1.00 0.00 O ATOM 367 CB ASN A 22 5.735 2.377 10.588 1.00 0.00 C ATOM 368 CG ASN A 22 5.631 2.626 12.087 1.00 0.00 C ATOM 369 OD1 ASN A 22 6.472 3.265 12.705 1.00 0.00 O ATOM 370 ND2 ASN A 22 4.584 2.152 12.724 1.00 0.00 N ATOM 0 H ASN A 22 6.331 1.884 8.242 1.00 0.00 H new ATOM 0 HA ASN A 22 7.822 2.926 10.513 1.00 0.00 H new ATOM 0 HB2 ASN A 22 5.329 3.235 10.051 1.00 0.00 H new ATOM 0 HB3 ASN A 22 5.122 1.516 10.323 1.00 0.00 H new ATOM 0 HD21 ASN A 22 4.478 2.318 13.725 1.00 0.00 H new ATOM 0 HD22 ASN A 22 3.878 1.618 12.218 1.00 0.00 H new ATOM 377 N TRP A 23 7.432 -0.344 10.147 1.00 0.00 N ATOM 378 CA TRP A 23 7.928 -1.659 10.586 1.00 0.00 C ATOM 379 C TRP A 23 9.457 -1.773 10.535 1.00 0.00 C ATOM 380 O TRP A 23 10.043 -2.472 11.362 1.00 0.00 O ATOM 381 CB TRP A 23 7.271 -2.781 9.768 1.00 0.00 C ATOM 382 CG TRP A 23 7.491 -4.185 10.259 1.00 0.00 C ATOM 383 CD1 TRP A 23 7.365 -4.597 11.544 1.00 0.00 C ATOM 384 CD2 TRP A 23 7.839 -5.383 9.493 1.00 0.00 C ATOM 385 NE1 TRP A 23 7.603 -5.955 11.626 1.00 0.00 N ATOM 386 CE2 TRP A 23 7.883 -6.495 10.390 1.00 0.00 C ATOM 387 CE3 TRP A 23 8.111 -5.654 8.133 1.00 0.00 C ATOM 388 CZ2 TRP A 23 8.172 -7.801 9.964 1.00 0.00 C ATOM 389 CZ3 TRP A 23 8.412 -6.959 7.695 1.00 0.00 C ATOM 390 CH2 TRP A 23 8.443 -8.032 8.606 1.00 0.00 C ATOM 0 H TRP A 23 6.797 -0.403 9.351 1.00 0.00 H new ATOM 0 HA TRP A 23 7.647 -1.766 11.634 1.00 0.00 H new ATOM 0 HB2 TRP A 23 6.197 -2.595 9.735 1.00 0.00 H new ATOM 0 HB3 TRP A 23 7.638 -2.716 8.744 1.00 0.00 H new ATOM 0 HD1 TRP A 23 7.116 -3.959 12.379 1.00 0.00 H new ATOM 0 HE1 TRP A 23 7.575 -6.491 12.493 1.00 0.00 H new ATOM 0 HE3 TRP A 23 8.088 -4.846 7.416 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 8.186 -8.617 10.671 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 8.621 -7.138 6.651 1.00 0.00 H new ATOM 0 HH2 TRP A 23 8.674 -9.029 8.261 1.00 0.00 H new ATOM 401 N LEU A 24 10.119 -1.040 9.633 1.00 0.00 N ATOM 402 CA LEU A 24 11.585 -0.967 9.540 1.00 0.00 C ATOM 403 C LEU A 24 12.245 -0.618 10.894 1.00 0.00 C ATOM 404 O LEU A 24 13.274 -1.199 11.242 1.00 0.00 O ATOM 405 CB LEU A 24 11.995 0.051 8.448 1.00 0.00 C ATOM 406 CG LEU A 24 12.620 -0.530 7.165 1.00 0.00 C ATOM 407 CD1 LEU A 24 13.836 -1.419 7.439 1.00 0.00 C ATOM 408 CD2 LEU A 24 11.610 -1.305 6.321 1.00 0.00 C ATOM 0 H LEU A 24 9.644 -0.470 8.933 1.00 0.00 H new ATOM 0 HA LEU A 24 11.947 -1.957 9.263 1.00 0.00 H new ATOM 0 HB2 LEU A 24 11.111 0.624 8.167 1.00 0.00 H new ATOM 0 HB3 LEU A 24 12.705 0.753 8.885 1.00 0.00 H new ATOM 0 HG LEU A 24 12.954 0.342 6.602 1.00 0.00 H new ATOM 0 HD11 LEU A 24 14.230 -1.797 6.496 1.00 0.00 H new ATOM 0 HD12 LEU A 24 14.605 -0.837 7.946 1.00 0.00 H new ATOM 0 HD13 LEU A 24 13.539 -2.257 8.070 1.00 0.00 H new ATOM 0 HD21 LEU A 24 12.102 -1.693 5.429 1.00 0.00 H new ATOM 0 HD22 LEU A 24 11.209 -2.134 6.904 1.00 0.00 H new ATOM 0 HD23 LEU A 24 10.797 -0.642 6.027 1.00 0.00 H new ATOM 420 N TRP A 25 11.635 0.278 11.684 1.00 0.00 N ATOM 421 CA TRP A 25 12.093 0.625 13.039 1.00 0.00 C ATOM 422 C TRP A 25 11.982 -0.541 14.038 1.00 0.00 C ATOM 423 O TRP A 25 12.744 -0.603 15.003 1.00 0.00 O ATOM 424 CB TRP A 25 11.323 1.841 13.567 1.00 0.00 C ATOM 425 CG TRP A 25 11.620 3.138 12.879 1.00 0.00 C ATOM 426 CD1 TRP A 25 10.714 3.922 12.251 1.00 0.00 C ATOM 427 CD2 TRP A 25 12.902 3.832 12.769 1.00 0.00 C ATOM 428 NE1 TRP A 25 11.344 5.055 11.764 1.00 0.00 N ATOM 429 CE2 TRP A 25 12.693 5.051 12.056 1.00 0.00 C ATOM 430 CE3 TRP A 25 14.218 3.561 13.206 1.00 0.00 C ATOM 431 CZ2 TRP A 25 13.734 5.954 11.791 1.00 0.00 C ATOM 432 CZ3 TRP A 25 15.273 4.456 12.938 1.00 0.00 C ATOM 433 CH2 TRP A 25 15.034 5.651 12.234 1.00 0.00 C ATOM 0 H TRP A 25 10.800 0.788 11.397 1.00 0.00 H new ATOM 0 HA TRP A 25 13.153 0.864 12.952 1.00 0.00 H new ATOM 0 HB2 TRP A 25 10.255 1.639 13.480 1.00 0.00 H new ATOM 0 HB3 TRP A 25 11.541 1.954 14.629 1.00 0.00 H new ATOM 0 HD1 TRP A 25 9.663 3.699 12.146 1.00 0.00 H new ATOM 0 HE1 TRP A 25 10.870 5.800 11.253 1.00 0.00 H new ATOM 0 HE3 TRP A 25 14.419 2.653 13.755 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 13.539 6.870 11.254 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 16.272 4.223 13.275 1.00 0.00 H new ATOM 0 HH2 TRP A 25 15.847 6.334 12.034 1.00 0.00 H new ATOM 444 N TYR A 26 11.037 -1.462 13.834 1.00 0.00 N ATOM 445 CA TYR A 26 10.890 -2.672 14.644 1.00 0.00 C ATOM 446 C TYR A 26 12.008 -3.689 14.338 1.00 0.00 C ATOM 447 O TYR A 26 12.516 -4.349 15.246 1.00 0.00 O ATOM 448 CB TYR A 26 9.500 -3.288 14.417 1.00 0.00 C ATOM 449 CG TYR A 26 8.891 -3.815 15.698 1.00 0.00 C ATOM 450 CD1 TYR A 26 9.324 -5.041 16.238 1.00 0.00 C ATOM 451 CD2 TYR A 26 7.946 -3.035 16.390 1.00 0.00 C ATOM 452 CE1 TYR A 26 8.829 -5.477 17.482 1.00 0.00 C ATOM 453 CE2 TYR A 26 7.445 -3.468 17.635 1.00 0.00 C ATOM 454 CZ TYR A 26 7.899 -4.685 18.192 1.00 0.00 C ATOM 455 OH TYR A 26 7.474 -5.087 19.421 1.00 0.00 O ATOM 0 H TYR A 26 10.343 -1.386 13.091 1.00 0.00 H new ATOM 0 HA TYR A 26 10.982 -2.399 15.695 1.00 0.00 H new ATOM 0 HB2 TYR A 26 8.838 -2.538 13.984 1.00 0.00 H new ATOM 0 HB3 TYR A 26 9.578 -4.099 13.693 1.00 0.00 H new ATOM 0 HD1 TYR A 26 10.036 -5.647 15.698 1.00 0.00 H new ATOM 0 HD2 TYR A 26 7.604 -2.102 15.966 1.00 0.00 H new ATOM 0 HE1 TYR A 26 9.161 -6.418 17.894 1.00 0.00 H new ATOM 0 HE2 TYR A 26 6.716 -2.871 18.162 1.00 0.00 H new ATOM 0 HH TYR A 26 6.837 -4.433 19.777 1.00 0.00 H new ATOM 465 N ILE A 27 12.412 -3.799 13.063 1.00 0.00 N ATOM 466 CA ILE A 27 13.514 -4.661 12.600 1.00 0.00 C ATOM 467 C ILE A 27 14.880 -4.168 13.116 1.00 0.00 C ATOM 468 O ILE A 27 15.649 -4.960 13.670 1.00 0.00 O ATOM 469 CB ILE A 27 13.526 -4.774 11.056 1.00 0.00 C ATOM 470 CG1 ILE A 27 12.169 -5.187 10.446 1.00 0.00 C ATOM 471 CG2 ILE A 27 14.620 -5.752 10.585 1.00 0.00 C ATOM 472 CD1 ILE A 27 11.559 -6.484 10.994 1.00 0.00 C ATOM 0 H ILE A 27 11.971 -3.278 12.305 1.00 0.00 H new ATOM 0 HA ILE A 27 13.339 -5.653 13.016 1.00 0.00 H new ATOM 0 HB ILE A 27 13.741 -3.768 10.696 1.00 0.00 H new ATOM 0 HG12 ILE A 27 11.458 -4.377 10.607 1.00 0.00 H new ATOM 0 HG13 ILE A 27 12.293 -5.293 9.368 1.00 0.00 H new ATOM 0 HG21 ILE A 27 14.608 -5.814 9.497 1.00 0.00 H new ATOM 0 HG22 ILE A 27 15.595 -5.395 10.918 1.00 0.00 H new ATOM 0 HG23 ILE A 27 14.432 -6.739 11.007 1.00 0.00 H new ATOM 0 HD11 ILE A 27 10.609 -6.678 10.496 1.00 0.00 H new ATOM 0 HD12 ILE A 27 12.241 -7.314 10.809 1.00 0.00 H new ATOM 0 HD13 ILE A 27 11.393 -6.383 12.067 1.00 0.00 H new ATOM 484 N LYS A 28 15.180 -2.873 12.934 1.00 0.00 N ATOM 485 CA LYS A 28 16.444 -2.210 13.323 1.00 0.00 C ATOM 486 C LYS A 28 16.278 -1.289 14.544 1.00 0.00 C ATOM 487 O LYS A 28 16.595 -1.752 15.664 1.00 0.00 O ATOM 488 CB LYS A 28 17.064 -1.496 12.097 1.00 0.00 C ATOM 489 CG LYS A 28 18.185 -2.322 11.446 1.00 0.00 C ATOM 490 CD LYS A 28 19.468 -2.341 12.306 1.00 0.00 C ATOM 491 CE LYS A 28 19.985 -3.761 12.570 1.00 0.00 C ATOM 492 NZ LYS A 28 20.623 -4.363 11.369 1.00 0.00 N ATOM 493 OXT LYS A 28 15.873 -0.116 14.385 1.00 0.00 O ATOM 0 H LYS A 28 14.524 -2.228 12.494 1.00 0.00 H new ATOM 0 HA LYS A 28 17.147 -2.976 13.650 1.00 0.00 H new ATOM 0 HB2 LYS A 28 16.285 -1.301 11.360 1.00 0.00 H new ATOM 0 HB3 LYS A 28 17.461 -0.529 12.405 1.00 0.00 H new ATOM 0 HG2 LYS A 28 17.838 -3.344 11.291 1.00 0.00 H new ATOM 0 HG3 LYS A 28 18.414 -1.910 10.463 1.00 0.00 H new ATOM 0 HD2 LYS A 28 20.245 -1.764 11.805 1.00 0.00 H new ATOM 0 HD3 LYS A 28 19.269 -1.849 13.258 1.00 0.00 H new ATOM 0 HE2 LYS A 28 20.706 -3.737 13.387 1.00 0.00 H new ATOM 0 HE3 LYS A 28 19.157 -4.392 12.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 20.956 -5.322 11.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 19.930 -4.412 10.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 21.430 -3.777 11.074 1.00 0.00 H new TER 507 LYS A 28