USER MOD reduce.3.24.130724 H: found=0, std=0, add=152, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 153 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 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN :FLIP amide:sc= -0.983 F(o=-2.6!,f=-0.98) USER MOD Single : A 67 GLN :FLIP amide:sc= -0.725 F(o=-3.3!,f=-0.72) USER MOD Single : A 70 MET CE :methyl 136:sc= -1.77! (180deg=-4.6!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 73 N ALA A 57 -3.652 7.722 5.558 1.00 54.03 N ATOM 74 CA ALA A 57 -4.567 6.908 4.777 1.00 61.14 C ATOM 75 C ALA A 57 -5.820 6.644 5.591 1.00 53.23 C ATOM 76 O ALA A 57 -6.939 6.723 5.075 1.00 73.33 O ATOM 77 CB ALA A 57 -3.909 5.610 4.356 1.00 74.14 C ATOM 0 HA ALA A 57 -4.839 7.445 3.868 1.00 61.14 H new ATOM 0 HB1 ALA A 57 -4.614 5.017 3.772 1.00 74.14 H new ATOM 0 HB2 ALA A 57 -3.029 5.828 3.750 1.00 74.14 H new ATOM 0 HB3 ALA A 57 -3.610 5.050 5.242 1.00 74.14 H new ATOM 83 N PHE A 58 -5.611 6.382 6.876 1.00 73.53 N ATOM 84 CA PHE A 58 -6.687 6.192 7.848 1.00 70.11 C ATOM 85 C PHE A 58 -7.631 7.390 7.890 1.00 33.14 C ATOM 86 O PHE A 58 -8.839 7.225 7.906 1.00 70.25 O ATOM 87 CB PHE A 58 -6.094 5.918 9.241 1.00 45.40 C ATOM 88 CG PHE A 58 -7.052 6.082 10.400 1.00 1.01 C ATOM 89 CD1 PHE A 58 -7.886 5.055 10.794 1.00 54.43 C ATOM 90 CD2 PHE A 58 -7.109 7.285 11.093 1.00 13.02 C ATOM 91 CE1 PHE A 58 -8.759 5.224 11.848 1.00 70.24 C ATOM 92 CE2 PHE A 58 -7.977 7.454 12.139 1.00 74.32 C ATOM 93 CZ PHE A 58 -8.802 6.427 12.515 1.00 33.32 C ATOM 0 H PHE A 58 -4.678 6.294 7.280 1.00 73.53 H new ATOM 0 HA PHE A 58 -7.275 5.330 7.534 1.00 70.11 H new ATOM 0 HB2 PHE A 58 -5.703 4.901 9.257 1.00 45.40 H new ATOM 0 HB3 PHE A 58 -5.247 6.587 9.394 1.00 45.40 H new ATOM 0 HD1 PHE A 58 -7.854 4.110 10.272 1.00 54.43 H new ATOM 0 HD2 PHE A 58 -6.460 8.098 10.803 1.00 13.02 H new ATOM 0 HE1 PHE A 58 -9.407 4.414 12.149 1.00 70.24 H new ATOM 0 HE2 PHE A 58 -8.011 8.396 12.667 1.00 74.32 H new ATOM 0 HZ PHE A 58 -9.489 6.562 13.338 1.00 33.32 H new ATOM 103 N ALA A 59 -7.068 8.576 7.871 1.00 63.22 N ATOM 104 CA ALA A 59 -7.829 9.820 7.962 1.00 50.21 C ATOM 105 C ALA A 59 -8.716 10.034 6.736 1.00 23.35 C ATOM 106 O ALA A 59 -9.641 10.841 6.757 1.00 43.20 O ATOM 107 CB ALA A 59 -6.880 10.987 8.146 1.00 42.14 C ATOM 0 H ALA A 59 -6.061 8.715 7.792 1.00 63.22 H new ATOM 0 HA ALA A 59 -8.489 9.752 8.827 1.00 50.21 H new ATOM 0 HB1 ALA A 59 -7.451 11.913 8.213 1.00 42.14 H new ATOM 0 HB2 ALA A 59 -6.305 10.848 9.062 1.00 42.14 H new ATOM 0 HB3 ALA A 59 -6.200 11.041 7.296 1.00 42.14 H new ATOM 113 N ASN A 60 -8.435 9.305 5.679 1.00 22.11 N ATOM 114 CA ASN A 60 -9.216 9.399 4.463 1.00 32.34 C ATOM 115 C ASN A 60 -10.156 8.214 4.333 1.00 62.00 C ATOM 116 O ASN A 60 -10.848 8.069 3.324 1.00 34.24 O ATOM 117 CB ASN A 60 -8.321 9.481 3.217 1.00 2.10 C ATOM 118 CG ASN A 60 -7.526 10.770 3.100 1.00 62.05 C ATOM 119 OD1 ASN A 60 -7.997 11.756 2.530 1.00 50.11 O ATOM 120 ND2 ASN A 60 -6.331 10.781 3.623 1.00 54.14 N ATOM 0 H ASN A 60 -7.666 8.636 5.636 1.00 22.11 H new ATOM 0 HA ASN A 60 -9.799 10.318 4.529 1.00 32.34 H new ATOM 0 HB2 ASN A 60 -7.627 8.640 3.227 1.00 2.10 H new ATOM 0 HB3 ASN A 60 -8.944 9.370 2.329 1.00 2.10 H new ATOM 0 HD21 ASN A 60 -5.757 11.623 3.567 1.00 54.14 H new ATOM 0 HD22 ASN A 60 -5.970 9.948 4.088 1.00 54.14 H new ATOM 127 N LEU A 61 -10.180 7.355 5.338 1.00 71.44 N ATOM 128 CA LEU A 61 -11.051 6.199 5.307 1.00 10.52 C ATOM 129 C LEU A 61 -12.484 6.551 5.670 1.00 11.34 C ATOM 130 O LEU A 61 -12.737 7.555 6.368 1.00 12.25 O ATOM 131 CB LEU A 61 -10.553 5.112 6.234 1.00 72.11 C ATOM 132 CG LEU A 61 -9.197 4.531 5.922 1.00 41.34 C ATOM 133 CD1 LEU A 61 -8.896 3.441 6.890 1.00 61.42 C ATOM 134 CD2 LEU A 61 -9.139 4.007 4.505 1.00 64.14 C ATOM 0 H LEU A 61 -9.609 7.438 6.179 1.00 71.44 H new ATOM 0 HA LEU A 61 -11.037 5.833 4.281 1.00 10.52 H new ATOM 0 HB2 LEU A 61 -10.527 5.513 7.247 1.00 72.11 H new ATOM 0 HB3 LEU A 61 -11.281 4.301 6.230 1.00 72.11 H new ATOM 0 HG LEU A 61 -8.449 5.319 6.013 1.00 41.34 H new ATOM 0 HD11 LEU A 61 -7.916 3.018 6.668 1.00 61.42 H new ATOM 0 HD12 LEU A 61 -8.897 3.844 7.903 1.00 61.42 H new ATOM 0 HD13 LEU A 61 -9.654 2.662 6.809 1.00 61.42 H new ATOM 0 HD21 LEU A 61 -8.149 3.594 4.310 1.00 64.14 H new ATOM 0 HD22 LEU A 61 -9.889 3.227 4.374 1.00 64.14 H new ATOM 0 HD23 LEU A 61 -9.337 4.821 3.808 1.00 64.14 H new ATOM 146 N PRO A 62 -13.444 5.737 5.184 1.00 11.11 N ATOM 147 CA PRO A 62 -14.865 5.893 5.491 1.00 3.51 C ATOM 148 C PRO A 62 -15.156 5.740 6.981 1.00 23.21 C ATOM 149 O PRO A 62 -14.344 5.175 7.729 1.00 71.33 O ATOM 150 CB PRO A 62 -15.539 4.763 4.705 1.00 52.21 C ATOM 151 CG PRO A 62 -14.454 3.814 4.362 1.00 63.42 C ATOM 152 CD PRO A 62 -13.207 4.619 4.259 1.00 62.14 C ATOM 0 HA PRO A 62 -15.224 6.887 5.224 1.00 3.51 H new ATOM 0 HB2 PRO A 62 -16.311 4.277 5.302 1.00 52.21 H new ATOM 0 HB3 PRO A 62 -16.024 5.145 3.807 1.00 52.21 H new ATOM 0 HG2 PRO A 62 -14.356 3.043 5.127 1.00 63.42 H new ATOM 0 HG3 PRO A 62 -14.666 3.305 3.422 1.00 63.42 H new ATOM 0 HD2 PRO A 62 -12.330 4.039 4.546 1.00 62.14 H new ATOM 0 HD3 PRO A 62 -13.038 4.969 3.241 1.00 62.14 H new ATOM 160 N LEU A 63 -16.324 6.191 7.391 1.00 72.04 N ATOM 161 CA LEU A 63 -16.726 6.200 8.797 1.00 54.04 C ATOM 162 C LEU A 63 -16.680 4.815 9.416 1.00 73.24 C ATOM 163 O LEU A 63 -16.163 4.645 10.524 1.00 32.42 O ATOM 164 CB LEU A 63 -18.124 6.777 8.949 1.00 24.41 C ATOM 165 CG LEU A 63 -18.651 6.893 10.385 1.00 72.44 C ATOM 166 CD1 LEU A 63 -17.758 7.790 11.224 1.00 73.10 C ATOM 167 CD2 LEU A 63 -20.081 7.400 10.389 1.00 32.20 C ATOM 0 H LEU A 63 -17.031 6.566 6.759 1.00 72.04 H new ATOM 0 HA LEU A 63 -16.010 6.829 9.326 1.00 54.04 H new ATOM 0 HB2 LEU A 63 -18.137 7.769 8.497 1.00 24.41 H new ATOM 0 HB3 LEU A 63 -18.815 6.157 8.378 1.00 24.41 H new ATOM 0 HG LEU A 63 -18.638 5.899 10.831 1.00 72.44 H new ATOM 0 HD11 LEU A 63 -18.155 7.854 12.237 1.00 73.10 H new ATOM 0 HD12 LEU A 63 -16.751 7.374 11.255 1.00 73.10 H new ATOM 0 HD13 LEU A 63 -17.726 8.786 10.783 1.00 73.10 H new ATOM 0 HD21 LEU A 63 -20.437 7.476 11.416 1.00 32.20 H new ATOM 0 HD22 LEU A 63 -20.120 8.382 9.918 1.00 32.20 H new ATOM 0 HD23 LEU A 63 -20.714 6.707 9.835 1.00 32.20 H new ATOM 179 N TRP A 64 -17.204 3.832 8.707 1.00 5.53 N ATOM 180 CA TRP A 64 -17.223 2.462 9.202 1.00 24.51 C ATOM 181 C TRP A 64 -15.797 1.955 9.444 1.00 34.02 C ATOM 182 O TRP A 64 -15.554 1.178 10.365 1.00 51.11 O ATOM 183 CB TRP A 64 -17.988 1.512 8.243 1.00 3.33 C ATOM 184 CG TRP A 64 -17.323 1.273 6.912 1.00 10.11 C ATOM 185 CD1 TRP A 64 -17.544 1.934 5.744 1.00 23.15 C ATOM 186 CD2 TRP A 64 -16.325 0.284 6.631 1.00 21.40 C ATOM 187 NE1 TRP A 64 -16.735 1.427 4.758 1.00 44.04 N ATOM 188 CE2 TRP A 64 -15.976 0.405 5.283 1.00 11.01 C ATOM 189 CE3 TRP A 64 -15.692 -0.686 7.407 1.00 53.13 C ATOM 190 CZ2 TRP A 64 -15.015 -0.417 4.691 1.00 64.40 C ATOM 191 CZ3 TRP A 64 -14.751 -1.497 6.824 1.00 62.21 C ATOM 192 CH2 TRP A 64 -14.421 -1.359 5.477 1.00 71.55 C ATOM 0 H TRP A 64 -17.623 3.954 7.785 1.00 5.53 H new ATOM 0 HA TRP A 64 -17.758 2.465 10.152 1.00 24.51 H new ATOM 0 HB2 TRP A 64 -18.124 0.552 8.741 1.00 3.33 H new ATOM 0 HB3 TRP A 64 -18.982 1.923 8.066 1.00 3.33 H new ATOM 0 HD1 TRP A 64 -18.252 2.739 5.612 1.00 23.15 H new ATOM 0 HE1 TRP A 64 -16.701 1.754 3.793 1.00 44.04 H new ATOM 0 HE3 TRP A 64 -15.939 -0.798 8.452 1.00 53.13 H new ATOM 0 HZ2 TRP A 64 -14.752 -0.310 3.649 1.00 64.40 H new ATOM 0 HZ3 TRP A 64 -14.259 -2.253 7.418 1.00 62.21 H new ATOM 0 HH2 TRP A 64 -13.678 -2.013 5.046 1.00 71.55 H new ATOM 203 N LYS A 65 -14.856 2.445 8.635 1.00 65.12 N ATOM 204 CA LYS A 65 -13.461 2.043 8.718 1.00 53.42 C ATOM 205 C LYS A 65 -12.784 2.683 9.879 1.00 24.22 C ATOM 206 O LYS A 65 -11.875 2.120 10.460 1.00 34.31 O ATOM 207 CB LYS A 65 -12.731 2.350 7.421 1.00 11.23 C ATOM 208 CG LYS A 65 -12.581 1.152 6.536 1.00 42.53 C ATOM 209 CD LYS A 65 -11.183 0.587 6.600 1.00 14.23 C ATOM 210 CE LYS A 65 -11.040 -0.736 5.877 1.00 5.22 C ATOM 211 NZ LYS A 65 -11.072 -0.588 4.408 1.00 60.04 N1+ ATOM 0 H LYS A 65 -15.045 3.132 7.905 1.00 65.12 H new ATOM 0 HA LYS A 65 -13.432 0.964 8.873 1.00 53.42 H new ATOM 0 HB2 LYS A 65 -13.272 3.128 6.882 1.00 11.23 H new ATOM 0 HB3 LYS A 65 -11.744 2.750 7.652 1.00 11.23 H new ATOM 0 HG2 LYS A 65 -13.298 0.387 6.834 1.00 42.53 H new ATOM 0 HG3 LYS A 65 -12.817 1.426 5.508 1.00 42.53 H new ATOM 0 HD2 LYS A 65 -10.487 1.307 6.168 1.00 14.23 H new ATOM 0 HD3 LYS A 65 -10.899 0.456 7.644 1.00 14.23 H new ATOM 0 HE2 LYS A 65 -10.102 -1.206 6.170 1.00 5.22 H new ATOM 0 HE3 LYS A 65 -11.843 -1.404 6.188 1.00 5.22 H new ATOM 0 HZ1 LYS A 65 -10.970 -1.522 3.963 1.00 60.04 H new ATOM 0 HZ2 LYS A 65 -11.978 -0.165 4.121 1.00 60.04 H new ATOM 0 HZ3 LYS A 65 -10.291 0.027 4.104 1.00 60.04 H new ATOM 225 N GLN A 66 -13.246 3.847 10.235 1.00 54.13 N ATOM 226 CA GLN A 66 -12.710 4.548 11.375 1.00 50.53 C ATOM 227 C GLN A 66 -13.074 3.795 12.610 1.00 53.00 C ATOM 228 O GLN A 66 -12.258 3.585 13.480 1.00 51.33 O ATOM 229 CB GLN A 66 -13.256 5.965 11.433 1.00 42.51 C ATOM 230 CG GLN A 66 -13.002 6.715 10.156 1.00 13.40 C ATOM 231 CD GLN A 66 -11.534 6.973 9.904 1.00 31.32 C ATOM 232 OE1 GLN A 66 -10.817 5.969 9.466 1.00 34.00 O flip ATOM 233 NE2 GLN A 66 -11.023 8.028 10.238 1.00 33.43 N flip ATOM 0 H GLN A 66 -13.998 4.337 9.751 1.00 54.13 H new ATOM 0 HA GLN A 66 -11.625 4.613 11.291 1.00 50.53 H new ATOM 0 HB2 GLN A 66 -14.328 5.934 11.629 1.00 42.51 H new ATOM 0 HB3 GLN A 66 -12.796 6.498 12.265 1.00 42.51 H new ATOM 0 HG2 GLN A 66 -13.414 6.149 9.321 1.00 13.40 H new ATOM 0 HG3 GLN A 66 -13.532 7.667 10.189 1.00 13.40 H new ATOM 0 HE21 GLN A 66 -11.607 8.793 10.576 1.00 33.43 H new ATOM 0 HE22 GLN A 66 -10.011 8.146 10.180 1.00 33.43 H new ATOM 242 N GLN A 67 -14.291 3.312 12.631 1.00 22.13 N ATOM 243 CA GLN A 67 -14.782 2.567 13.758 1.00 23.14 C ATOM 244 C GLN A 67 -14.086 1.223 13.803 1.00 61.11 C ATOM 245 O GLN A 67 -13.600 0.818 14.822 1.00 11.22 O ATOM 246 CB GLN A 67 -16.286 2.376 13.646 1.00 22.02 C ATOM 247 CG GLN A 67 -17.032 3.671 13.422 1.00 61.04 C ATOM 248 CD GLN A 67 -18.529 3.497 13.323 1.00 50.42 C ATOM 249 OE1 GLN A 67 -19.156 4.346 12.557 1.00 61.43 O flip ATOM 250 NE2 GLN A 67 -19.119 2.603 13.930 1.00 3.23 N flip ATOM 0 H GLN A 67 -14.963 3.424 11.872 1.00 22.13 H new ATOM 0 HA GLN A 67 -14.573 3.116 14.676 1.00 23.14 H new ATOM 0 HB2 GLN A 67 -16.499 1.693 12.823 1.00 22.02 H new ATOM 0 HB3 GLN A 67 -16.655 1.903 14.556 1.00 22.02 H new ATOM 0 HG2 GLN A 67 -16.808 4.356 14.240 1.00 61.04 H new ATOM 0 HG3 GLN A 67 -16.667 4.137 12.507 1.00 61.04 H new ATOM 0 HE21 GLN A 67 -18.596 1.956 14.521 1.00 3.23 H new ATOM 0 HE22 GLN A 67 -20.131 2.509 13.842 1.00 3.23 H new ATOM 259 N ALA A 68 -13.985 0.586 12.651 1.00 33.41 N ATOM 260 CA ALA A 68 -13.381 -0.736 12.528 1.00 63.25 C ATOM 261 C ALA A 68 -11.928 -0.743 12.981 1.00 75.53 C ATOM 262 O ALA A 68 -11.448 -1.709 13.572 1.00 73.20 O ATOM 263 CB ALA A 68 -13.486 -1.219 11.094 1.00 62.15 C ATOM 0 H ALA A 68 -14.320 0.970 11.767 1.00 33.41 H new ATOM 0 HA ALA A 68 -13.929 -1.414 13.183 1.00 63.25 H new ATOM 0 HB1 ALA A 68 -13.033 -2.207 11.009 1.00 62.15 H new ATOM 0 HB2 ALA A 68 -14.535 -1.275 10.805 1.00 62.15 H new ATOM 0 HB3 ALA A 68 -12.965 -0.523 10.437 1.00 62.15 H new ATOM 269 N LEU A 69 -11.243 0.333 12.720 1.00 74.12 N ATOM 270 CA LEU A 69 -9.852 0.432 13.080 1.00 10.21 C ATOM 271 C LEU A 69 -9.654 0.932 14.493 1.00 64.31 C ATOM 272 O LEU A 69 -8.839 0.399 15.243 1.00 52.55 O ATOM 273 CB LEU A 69 -9.137 1.324 12.105 1.00 52.14 C ATOM 274 CG LEU A 69 -9.061 0.800 10.678 1.00 41.24 C ATOM 275 CD1 LEU A 69 -8.330 1.775 9.812 1.00 61.33 C ATOM 276 CD2 LEU A 69 -8.387 -0.552 10.638 1.00 44.32 C ATOM 0 H LEU A 69 -11.624 1.159 12.258 1.00 74.12 H new ATOM 0 HA LEU A 69 -9.431 -0.572 13.038 1.00 10.21 H new ATOM 0 HB2 LEU A 69 -9.635 2.293 12.092 1.00 52.14 H new ATOM 0 HB3 LEU A 69 -8.123 1.491 12.467 1.00 52.14 H new ATOM 0 HG LEU A 69 -10.076 0.683 10.298 1.00 41.24 H new ATOM 0 HD11 LEU A 69 -8.281 1.391 8.793 1.00 61.33 H new ATOM 0 HD12 LEU A 69 -8.856 2.730 9.815 1.00 61.33 H new ATOM 0 HD13 LEU A 69 -7.320 1.916 10.196 1.00 61.33 H new ATOM 0 HD21 LEU A 69 -8.344 -0.907 9.608 1.00 44.32 H new ATOM 0 HD22 LEU A 69 -7.375 -0.466 11.035 1.00 44.32 H new ATOM 0 HD23 LEU A 69 -8.955 -1.260 11.242 1.00 44.32 H new ATOM 288 N MET A 70 -10.364 1.961 14.863 1.00 74.42 N ATOM 289 CA MET A 70 -10.212 2.519 16.192 1.00 12.14 C ATOM 290 C MET A 70 -10.768 1.615 17.276 1.00 11.20 C ATOM 291 O MET A 70 -10.263 1.598 18.405 1.00 4.10 O ATOM 292 CB MET A 70 -10.825 3.882 16.256 1.00 62.13 C ATOM 293 CG MET A 70 -10.218 4.864 15.267 1.00 1.41 C ATOM 294 SD MET A 70 -8.531 5.417 15.659 1.00 2.23 S ATOM 295 CE MET A 70 -7.516 4.005 15.203 1.00 52.14 C ATOM 0 H MET A 70 -11.050 2.432 14.274 1.00 74.42 H new ATOM 0 HA MET A 70 -9.143 2.604 16.386 1.00 12.14 H new ATOM 0 HB2 MET A 70 -11.895 3.800 16.065 1.00 62.13 H new ATOM 0 HB3 MET A 70 -10.710 4.277 17.265 1.00 62.13 H new ATOM 0 HG2 MET A 70 -10.211 4.403 14.279 1.00 1.41 H new ATOM 0 HG3 MET A 70 -10.865 5.739 15.206 1.00 1.41 H new ATOM 0 HE1 MET A 70 -6.637 4.350 14.658 1.00 52.14 H new ATOM 0 HE2 MET A 70 -7.201 3.477 16.103 1.00 52.14 H new ATOM 0 HE3 MET A 70 -8.094 3.331 14.570 1.00 52.14 H new ATOM 305 N LYS A 71 -11.779 0.853 16.946 1.00 62.22 N ATOM 306 CA LYS A 71 -12.383 -0.070 17.890 1.00 21.35 C ATOM 307 C LYS A 71 -11.410 -1.167 18.281 1.00 74.13 C ATOM 308 O LYS A 71 -11.378 -1.571 19.441 1.00 63.45 O ATOM 309 CB LYS A 71 -13.670 -0.680 17.321 1.00 53.12 C ATOM 310 CG LYS A 71 -14.384 -1.664 18.222 1.00 53.22 C ATOM 311 CD LYS A 71 -15.626 -2.193 17.544 1.00 60.40 C ATOM 312 CE LYS A 71 -16.318 -3.241 18.387 1.00 75.23 C ATOM 313 NZ LYS A 71 -17.520 -3.767 17.714 1.00 34.10 N1+ ATOM 0 H LYS A 71 -12.210 0.850 16.021 1.00 62.22 H new ATOM 0 HA LYS A 71 -12.638 0.498 18.785 1.00 21.35 H new ATOM 0 HB2 LYS A 71 -14.359 0.130 17.080 1.00 53.12 H new ATOM 0 HB3 LYS A 71 -13.429 -1.182 16.384 1.00 53.12 H new ATOM 0 HG2 LYS A 71 -13.717 -2.490 18.470 1.00 53.22 H new ATOM 0 HG3 LYS A 71 -14.653 -1.179 19.160 1.00 53.22 H new ATOM 0 HD2 LYS A 71 -16.313 -1.370 17.349 1.00 60.40 H new ATOM 0 HD3 LYS A 71 -15.359 -2.621 16.578 1.00 60.40 H new ATOM 0 HE2 LYS A 71 -15.627 -4.059 18.592 1.00 75.23 H new ATOM 0 HE3 LYS A 71 -16.597 -2.810 19.349 1.00 75.23 H new ATOM 0 HZ1 LYS A 71 -17.971 -4.483 18.318 1.00 34.10 H new ATOM 0 HZ2 LYS A 71 -18.189 -2.990 17.540 1.00 34.10 H new ATOM 0 HZ3 LYS A 71 -17.249 -4.200 16.808 1.00 34.10 H new ATOM 327 N GLU A 72 -10.554 -1.601 17.347 1.00 3.04 N ATOM 328 CA GLU A 72 -9.651 -2.715 17.659 1.00 50.13 C ATOM 329 C GLU A 72 -8.554 -2.259 18.624 1.00 23.03 C ATOM 330 O GLU A 72 -7.927 -3.068 19.307 1.00 41.43 O ATOM 331 CB GLU A 72 -9.024 -3.332 16.397 1.00 35.15 C ATOM 332 CG GLU A 72 -7.950 -2.483 15.748 1.00 32.23 C ATOM 333 CD GLU A 72 -7.361 -3.112 14.524 1.00 33.13 C ATOM 334 OE1 GLU A 72 -6.734 -4.175 14.630 1.00 21.54 O ATOM 335 OE2 GLU A 72 -7.486 -2.531 13.430 1.00 22.34 O1- ATOM 0 H GLU A 72 -10.468 -1.216 16.406 1.00 3.04 H new ATOM 0 HA GLU A 72 -10.252 -3.490 18.134 1.00 50.13 H new ATOM 0 HB2 GLU A 72 -8.596 -4.301 16.656 1.00 35.15 H new ATOM 0 HB3 GLU A 72 -9.813 -3.517 15.668 1.00 35.15 H new ATOM 0 HG2 GLU A 72 -8.373 -1.514 15.483 1.00 32.23 H new ATOM 0 HG3 GLU A 72 -7.156 -2.298 16.471 1.00 32.23 H new ATOM 342 N LYS A 73 -8.330 -0.961 18.676 1.00 33.21 N ATOM 343 CA LYS A 73 -7.320 -0.415 19.548 1.00 5.14 C ATOM 344 C LYS A 73 -7.923 0.142 20.823 1.00 10.12 C ATOM 345 O LYS A 73 -7.203 0.531 21.740 1.00 4.21 O ATOM 346 CB LYS A 73 -6.463 0.627 18.825 1.00 40.34 C ATOM 347 CG LYS A 73 -5.657 0.057 17.663 1.00 1.35 C ATOM 348 CD LYS A 73 -4.750 -1.080 18.121 1.00 22.23 C ATOM 349 CE LYS A 73 -3.711 -0.617 19.134 1.00 41.04 C ATOM 350 NZ LYS A 73 -2.931 -1.754 19.654 1.00 51.03 N1+ ATOM 0 H LYS A 73 -8.836 -0.269 18.123 1.00 33.21 H new ATOM 0 HA LYS A 73 -6.661 -1.234 19.837 1.00 5.14 H new ATOM 0 HB2 LYS A 73 -7.110 1.421 18.452 1.00 40.34 H new ATOM 0 HB3 LYS A 73 -5.779 1.083 19.541 1.00 40.34 H new ATOM 0 HG2 LYS A 73 -6.335 -0.305 16.890 1.00 1.35 H new ATOM 0 HG3 LYS A 73 -5.055 0.847 17.214 1.00 1.35 H new ATOM 0 HD2 LYS A 73 -5.357 -1.871 18.562 1.00 22.23 H new ATOM 0 HD3 LYS A 73 -4.245 -1.510 17.256 1.00 22.23 H new ATOM 0 HE2 LYS A 73 -3.040 0.104 18.667 1.00 41.04 H new ATOM 0 HE3 LYS A 73 -4.206 -0.105 19.959 1.00 41.04 H new ATOM 0 HZ1 LYS A 73 -2.231 -1.409 20.342 1.00 51.03 H new ATOM 0 HZ2 LYS A 73 -3.570 -2.430 20.120 1.00 51.03 H new ATOM 0 HZ3 LYS A 73 -2.440 -2.227 18.868 1.00 51.03 H new ATOM 364 N GLY A 74 -9.233 0.169 20.881 1.00 12.05 N ATOM 365 CA GLY A 74 -9.914 0.614 22.076 1.00 1.11 C ATOM 366 C GLY A 74 -10.181 2.105 22.112 1.00 64.43 C ATOM 367 O GLY A 74 -10.120 2.723 23.179 1.00 0.33 O ATOM 0 H GLY A 74 -9.849 -0.111 20.117 1.00 12.05 H new ATOM 0 HA2 GLY A 74 -10.862 0.083 22.161 1.00 1.11 H new ATOM 0 HA3 GLY A 74 -9.317 0.341 22.946 1.00 1.11 H new