USER MOD reduce.3.24.130724 H: found=0, std=0, add=152, rem=0, adj=2 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 : amide:sc= -2.74! K(o=-2.7!,f=-1.1) USER MOD Single : A 67 GLN : amide:sc= -2.43! K(o=-2.4!,f=-0.61) USER MOD Single : A 70 MET CE :methyl 144:sc= -2.65 (180deg=-4.37!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -166:sc= -0.0133 (180deg=-0.196) USER MOD ----------------------------------------------------------------- ATOM 73 N ALA A 57 -3.544 7.791 5.690 1.00 32.03 N ATOM 74 CA ALA A 57 -4.408 6.902 4.929 1.00 1.12 C ATOM 75 C ALA A 57 -5.688 6.641 5.687 1.00 44.51 C ATOM 76 O ALA A 57 -6.768 6.598 5.103 1.00 23.23 O ATOM 77 CB ALA A 57 -3.704 5.599 4.671 1.00 12.21 C ATOM 0 HA ALA A 57 -4.647 7.379 3.979 1.00 1.12 H new ATOM 0 HB1 ALA A 57 -4.358 4.939 4.101 1.00 12.21 H new ATOM 0 HB2 ALA A 57 -2.792 5.784 4.104 1.00 12.21 H new ATOM 0 HB3 ALA A 57 -3.452 5.128 5.621 1.00 12.21 H new ATOM 83 N PHE A 58 -5.549 6.488 6.993 1.00 31.32 N ATOM 84 CA PHE A 58 -6.671 6.272 7.896 1.00 75.34 C ATOM 85 C PHE A 58 -7.690 7.392 7.792 1.00 45.52 C ATOM 86 O PHE A 58 -8.873 7.135 7.724 1.00 34.44 O ATOM 87 CB PHE A 58 -6.164 6.129 9.331 1.00 53.15 C ATOM 88 CG PHE A 58 -7.221 6.185 10.402 1.00 4.33 C ATOM 89 CD1 PHE A 58 -7.861 5.037 10.833 1.00 14.01 C ATOM 90 CD2 PHE A 58 -7.566 7.401 10.982 1.00 33.22 C ATOM 91 CE1 PHE A 58 -8.827 5.102 11.816 1.00 54.10 C ATOM 92 CE2 PHE A 58 -8.525 7.471 11.956 1.00 41.12 C ATOM 93 CZ PHE A 58 -9.159 6.323 12.377 1.00 0.44 C ATOM 0 H PHE A 58 -4.644 6.510 7.463 1.00 31.32 H new ATOM 0 HA PHE A 58 -7.172 5.349 7.605 1.00 75.34 H new ATOM 0 HB2 PHE A 58 -5.634 5.180 9.418 1.00 53.15 H new ATOM 0 HB3 PHE A 58 -5.437 6.919 9.521 1.00 53.15 H new ATOM 0 HD1 PHE A 58 -7.603 4.083 10.397 1.00 14.01 H new ATOM 0 HD2 PHE A 58 -7.070 8.304 10.659 1.00 33.22 H new ATOM 0 HE1 PHE A 58 -9.323 4.202 12.147 1.00 54.10 H new ATOM 0 HE2 PHE A 58 -8.784 8.424 12.393 1.00 41.12 H new ATOM 0 HZ PHE A 58 -9.916 6.376 13.146 1.00 0.44 H new ATOM 103 N ALA A 59 -7.219 8.624 7.727 1.00 53.02 N ATOM 104 CA ALA A 59 -8.101 9.792 7.659 1.00 11.32 C ATOM 105 C ALA A 59 -8.883 9.827 6.339 1.00 10.32 C ATOM 106 O ALA A 59 -9.882 10.521 6.214 1.00 33.10 O ATOM 107 CB ALA A 59 -7.298 11.070 7.836 1.00 64.01 C ATOM 0 H ALA A 59 -6.224 8.850 7.719 1.00 53.02 H new ATOM 0 HA ALA A 59 -8.824 9.714 8.471 1.00 11.32 H new ATOM 0 HB1 ALA A 59 -7.966 11.930 7.783 1.00 64.01 H new ATOM 0 HB2 ALA A 59 -6.801 11.056 8.806 1.00 64.01 H new ATOM 0 HB3 ALA A 59 -6.550 11.142 7.046 1.00 64.01 H new ATOM 113 N ASN A 60 -8.425 9.056 5.375 1.00 44.31 N ATOM 114 CA ASN A 60 -9.068 8.968 4.076 1.00 74.42 C ATOM 115 C ASN A 60 -10.047 7.806 4.029 1.00 62.24 C ATOM 116 O ASN A 60 -10.736 7.606 3.025 1.00 63.20 O ATOM 117 CB ASN A 60 -8.026 8.825 2.947 1.00 31.14 C ATOM 118 CG ASN A 60 -7.317 10.125 2.598 1.00 64.33 C ATOM 119 OD1 ASN A 60 -7.755 10.859 1.712 1.00 54.22 O ATOM 120 ND2 ASN A 60 -6.231 10.430 3.275 1.00 41.23 N ATOM 0 H ASN A 60 -7.595 8.471 5.468 1.00 44.31 H new ATOM 0 HA ASN A 60 -9.620 9.895 3.922 1.00 74.42 H new ATOM 0 HB2 ASN A 60 -7.283 8.085 3.243 1.00 31.14 H new ATOM 0 HB3 ASN A 60 -8.521 8.441 2.055 1.00 31.14 H new ATOM 0 HD21 ASN A 60 -5.729 11.294 3.071 1.00 41.23 H new ATOM 0 HD22 ASN A 60 -5.891 9.802 4.004 1.00 41.23 H new ATOM 127 N LEU A 61 -10.106 7.034 5.105 1.00 45.15 N ATOM 128 CA LEU A 61 -10.996 5.886 5.165 1.00 21.23 C ATOM 129 C LEU A 61 -12.418 6.296 5.549 1.00 52.10 C ATOM 130 O LEU A 61 -12.626 7.360 6.174 1.00 72.14 O ATOM 131 CB LEU A 61 -10.467 4.861 6.155 1.00 14.41 C ATOM 132 CG LEU A 61 -9.048 4.377 5.917 1.00 64.21 C ATOM 133 CD1 LEU A 61 -8.705 3.331 6.919 1.00 32.12 C ATOM 134 CD2 LEU A 61 -8.864 3.846 4.511 1.00 34.14 C ATOM 0 H LEU A 61 -9.549 7.182 5.946 1.00 45.15 H new ATOM 0 HA LEU A 61 -11.031 5.443 4.170 1.00 21.23 H new ATOM 0 HB2 LEU A 61 -10.520 5.290 7.156 1.00 14.41 H new ATOM 0 HB3 LEU A 61 -11.131 3.997 6.143 1.00 14.41 H new ATOM 0 HG LEU A 61 -8.374 5.226 6.031 1.00 64.21 H new ATOM 0 HD11 LEU A 61 -7.686 2.984 6.748 1.00 32.12 H new ATOM 0 HD12 LEU A 61 -8.782 3.749 7.923 1.00 32.12 H new ATOM 0 HD13 LEU A 61 -9.395 2.493 6.821 1.00 32.12 H new ATOM 0 HD21 LEU A 61 -7.835 3.510 4.381 1.00 34.14 H new ATOM 0 HD22 LEU A 61 -9.543 3.009 4.346 1.00 34.14 H new ATOM 0 HD23 LEU A 61 -9.081 4.636 3.792 1.00 34.14 H new ATOM 146 N PRO A 62 -13.419 5.479 5.140 1.00 43.15 N ATOM 147 CA PRO A 62 -14.831 5.703 5.475 1.00 60.42 C ATOM 148 C PRO A 62 -15.093 5.655 6.981 1.00 63.34 C ATOM 149 O PRO A 62 -14.316 5.058 7.732 1.00 43.20 O ATOM 150 CB PRO A 62 -15.570 4.557 4.775 1.00 13.44 C ATOM 151 CG PRO A 62 -14.528 3.558 4.412 1.00 1.23 C ATOM 152 CD PRO A 62 -13.239 4.300 4.279 1.00 31.24 C ATOM 0 HA PRO A 62 -15.158 6.693 5.156 1.00 60.42 H new ATOM 0 HB2 PRO A 62 -16.320 4.117 5.432 1.00 13.44 H new ATOM 0 HB3 PRO A 62 -16.094 4.914 3.888 1.00 13.44 H new ATOM 0 HG2 PRO A 62 -14.451 2.786 5.177 1.00 1.23 H new ATOM 0 HG3 PRO A 62 -14.783 3.057 3.478 1.00 1.23 H new ATOM 0 HD2 PRO A 62 -12.394 3.693 4.604 1.00 31.24 H new ATOM 0 HD3 PRO A 62 -13.048 4.586 3.245 1.00 31.24 H new ATOM 160 N LEU A 63 -16.197 6.262 7.398 1.00 2.25 N ATOM 161 CA LEU A 63 -16.609 6.364 8.803 1.00 50.24 C ATOM 162 C LEU A 63 -16.613 5.014 9.504 1.00 12.31 C ATOM 163 O LEU A 63 -16.094 4.890 10.617 1.00 61.21 O ATOM 164 CB LEU A 63 -17.999 6.980 8.893 1.00 10.13 C ATOM 165 CG LEU A 63 -18.547 7.235 10.298 1.00 1.15 C ATOM 166 CD1 LEU A 63 -17.662 8.211 11.052 1.00 44.04 C ATOM 167 CD2 LEU A 63 -19.970 7.756 10.220 1.00 63.51 C ATOM 0 H LEU A 63 -16.851 6.710 6.756 1.00 2.25 H new ATOM 0 HA LEU A 63 -15.880 6.999 9.306 1.00 50.24 H new ATOM 0 HB2 LEU A 63 -17.987 7.928 8.355 1.00 10.13 H new ATOM 0 HB3 LEU A 63 -18.696 6.326 8.369 1.00 10.13 H new ATOM 0 HG LEU A 63 -18.551 6.291 10.843 1.00 1.15 H new ATOM 0 HD11 LEU A 63 -18.071 8.378 12.049 1.00 44.04 H new ATOM 0 HD12 LEU A 63 -16.656 7.800 11.136 1.00 44.04 H new ATOM 0 HD13 LEU A 63 -17.623 9.158 10.513 1.00 44.04 H new ATOM 0 HD21 LEU A 63 -20.348 7.933 11.227 1.00 63.51 H new ATOM 0 HD22 LEU A 63 -19.985 8.689 9.657 1.00 63.51 H new ATOM 0 HD23 LEU A 63 -20.600 7.020 9.720 1.00 63.51 H new ATOM 179 N TRP A 64 -17.187 4.008 8.859 1.00 40.35 N ATOM 180 CA TRP A 64 -17.234 2.674 9.440 1.00 33.31 C ATOM 181 C TRP A 64 -15.827 2.143 9.687 1.00 54.44 C ATOM 182 O TRP A 64 -15.578 1.478 10.678 1.00 74.50 O ATOM 183 CB TRP A 64 -18.055 1.692 8.584 1.00 61.43 C ATOM 184 CG TRP A 64 -17.471 1.347 7.240 1.00 11.31 C ATOM 185 CD1 TRP A 64 -17.743 1.935 6.058 1.00 61.44 C ATOM 186 CD2 TRP A 64 -16.531 0.304 6.955 1.00 44.30 C ATOM 187 NE1 TRP A 64 -17.030 1.343 5.057 1.00 33.45 N ATOM 188 CE2 TRP A 64 -16.282 0.330 5.578 1.00 35.25 C ATOM 189 CE3 TRP A 64 -15.879 -0.641 7.742 1.00 53.53 C ATOM 190 CZ2 TRP A 64 -15.407 -0.559 4.961 1.00 45.44 C ATOM 191 CZ3 TRP A 64 -15.011 -1.523 7.136 1.00 13.10 C ATOM 192 CH2 TRP A 64 -14.782 -1.478 5.756 1.00 11.10 C ATOM 0 H TRP A 64 -17.623 4.089 7.941 1.00 40.35 H new ATOM 0 HA TRP A 64 -17.745 2.758 10.399 1.00 33.31 H new ATOM 0 HB2 TRP A 64 -18.187 0.769 9.149 1.00 61.43 H new ATOM 0 HB3 TRP A 64 -19.047 2.116 8.430 1.00 61.43 H new ATOM 0 HD1 TRP A 64 -18.429 2.758 5.923 1.00 61.44 H new ATOM 0 HE1 TRP A 64 -17.053 1.615 4.074 1.00 33.45 H new ATOM 0 HE3 TRP A 64 -16.050 -0.682 8.808 1.00 53.53 H new ATOM 0 HZ2 TRP A 64 -15.229 -0.524 3.896 1.00 45.44 H new ATOM 0 HZ3 TRP A 64 -14.499 -2.261 7.736 1.00 13.10 H new ATOM 0 HH2 TRP A 64 -14.097 -2.184 5.310 1.00 11.10 H new ATOM 203 N LYS A 65 -14.898 2.511 8.811 1.00 40.13 N ATOM 204 CA LYS A 65 -13.523 2.073 8.927 1.00 61.11 C ATOM 205 C LYS A 65 -12.842 2.746 10.066 1.00 21.21 C ATOM 206 O LYS A 65 -11.993 2.165 10.713 1.00 15.15 O ATOM 207 CB LYS A 65 -12.724 2.268 7.638 1.00 75.51 C ATOM 208 CG LYS A 65 -12.713 1.053 6.769 1.00 53.13 C ATOM 209 CD LYS A 65 -11.320 0.754 6.254 1.00 14.53 C ATOM 210 CE LYS A 65 -11.258 -0.637 5.672 1.00 4.20 C ATOM 211 NZ LYS A 65 -9.903 -1.013 5.247 1.00 70.33 N1+ ATOM 0 H LYS A 65 -15.080 3.116 8.010 1.00 40.13 H new ATOM 0 HA LYS A 65 -13.560 1.001 9.119 1.00 61.11 H new ATOM 0 HB2 LYS A 65 -13.145 3.104 7.079 1.00 75.51 H new ATOM 0 HB3 LYS A 65 -11.698 2.537 7.890 1.00 75.51 H new ATOM 0 HG2 LYS A 65 -13.086 0.198 7.332 1.00 53.13 H new ATOM 0 HG3 LYS A 65 -13.390 1.200 5.927 1.00 53.13 H new ATOM 0 HD2 LYS A 65 -11.042 1.485 5.495 1.00 14.53 H new ATOM 0 HD3 LYS A 65 -10.598 0.847 7.065 1.00 14.53 H new ATOM 0 HE2 LYS A 65 -11.614 -1.353 6.413 1.00 4.20 H new ATOM 0 HE3 LYS A 65 -11.933 -0.700 4.818 1.00 4.20 H new ATOM 0 HZ1 LYS A 65 -9.917 -1.976 4.855 1.00 70.33 H new ATOM 0 HZ2 LYS A 65 -9.570 -0.348 4.520 1.00 70.33 H new ATOM 0 HZ3 LYS A 65 -9.261 -0.981 6.065 1.00 70.33 H new ATOM 225 N GLN A 66 -13.237 3.957 10.327 1.00 51.04 N ATOM 226 CA GLN A 66 -12.672 4.722 11.414 1.00 32.11 C ATOM 227 C GLN A 66 -13.050 4.073 12.715 1.00 1.23 C ATOM 228 O GLN A 66 -12.232 3.906 13.595 1.00 64.43 O ATOM 229 CB GLN A 66 -13.171 6.161 11.354 1.00 62.14 C ATOM 230 CG GLN A 66 -12.951 6.778 9.996 1.00 4.41 C ATOM 231 CD GLN A 66 -11.486 6.948 9.647 1.00 44.24 C ATOM 232 OE1 GLN A 66 -10.925 8.012 9.842 1.00 34.31 O ATOM 233 NE2 GLN A 66 -10.815 5.880 9.291 1.00 10.11 N ATOM 0 H GLN A 66 -13.958 4.447 9.797 1.00 51.04 H new ATOM 0 HA GLN A 66 -11.585 4.742 11.331 1.00 32.11 H new ATOM 0 HB2 GLN A 66 -14.233 6.187 11.596 1.00 62.14 H new ATOM 0 HB3 GLN A 66 -12.657 6.755 12.110 1.00 62.14 H new ATOM 0 HG2 GLN A 66 -13.428 6.155 9.240 1.00 4.41 H new ATOM 0 HG3 GLN A 66 -13.441 7.751 9.963 1.00 4.41 H new ATOM 0 HE21 GLN A 66 -11.305 4.999 9.133 1.00 10.11 H new ATOM 0 HE22 GLN A 66 -9.803 5.930 9.172 1.00 10.11 H new ATOM 242 N GLN A 67 -14.272 3.614 12.777 1.00 14.24 N ATOM 243 CA GLN A 67 -14.782 2.976 13.968 1.00 14.00 C ATOM 244 C GLN A 67 -14.171 1.605 14.118 1.00 11.11 C ATOM 245 O GLN A 67 -13.667 1.254 15.174 1.00 32.14 O ATOM 246 CB GLN A 67 -16.285 2.845 13.888 1.00 22.44 C ATOM 247 CG GLN A 67 -16.987 4.151 13.622 1.00 34.40 C ATOM 248 CD GLN A 67 -18.481 4.012 13.546 1.00 42.40 C ATOM 249 OE1 GLN A 67 -19.083 3.150 14.192 1.00 70.00 O ATOM 250 NE2 GLN A 67 -19.086 4.851 12.765 1.00 3.31 N ATOM 0 H GLN A 67 -14.941 3.670 12.009 1.00 14.24 H new ATOM 0 HA GLN A 67 -14.520 3.589 14.830 1.00 14.00 H new ATOM 0 HB2 GLN A 67 -16.539 2.137 13.099 1.00 22.44 H new ATOM 0 HB3 GLN A 67 -16.656 2.426 14.823 1.00 22.44 H new ATOM 0 HG2 GLN A 67 -16.734 4.860 14.410 1.00 34.40 H new ATOM 0 HG3 GLN A 67 -16.619 4.570 12.686 1.00 34.40 H new ATOM 0 HE21 GLN A 67 -18.548 5.547 12.250 1.00 3.31 H new ATOM 0 HE22 GLN A 67 -20.101 4.815 12.666 1.00 3.31 H new ATOM 259 N ALA A 68 -14.174 0.871 13.027 1.00 31.25 N ATOM 260 CA ALA A 68 -13.683 -0.488 12.982 1.00 42.10 C ATOM 261 C ALA A 68 -12.222 -0.571 13.388 1.00 43.42 C ATOM 262 O ALA A 68 -11.836 -1.416 14.198 1.00 35.22 O ATOM 263 CB ALA A 68 -13.873 -1.044 11.578 1.00 52.21 C ATOM 0 H ALA A 68 -14.524 1.208 12.130 1.00 31.25 H new ATOM 0 HA ALA A 68 -14.252 -1.083 13.696 1.00 42.10 H new ATOM 0 HB1 ALA A 68 -13.504 -2.069 11.540 1.00 52.21 H new ATOM 0 HB2 ALA A 68 -14.932 -1.030 11.321 1.00 52.21 H new ATOM 0 HB3 ALA A 68 -13.319 -0.432 10.866 1.00 52.21 H new ATOM 269 N LEU A 69 -11.441 0.359 12.892 1.00 72.02 N ATOM 270 CA LEU A 69 -10.018 0.342 13.104 1.00 34.12 C ATOM 271 C LEU A 69 -9.657 0.859 14.459 1.00 60.11 C ATOM 272 O LEU A 69 -8.810 0.282 15.146 1.00 20.34 O ATOM 273 CB LEU A 69 -9.317 1.123 12.016 1.00 52.23 C ATOM 274 CG LEU A 69 -9.362 0.487 10.633 1.00 15.23 C ATOM 275 CD1 LEU A 69 -8.693 1.382 9.638 1.00 32.33 C ATOM 276 CD2 LEU A 69 -8.690 -0.866 10.659 1.00 43.02 C ATOM 0 H LEU A 69 -11.774 1.144 12.333 1.00 72.02 H new ATOM 0 HA LEU A 69 -9.682 -0.694 13.057 1.00 34.12 H new ATOM 0 HB2 LEU A 69 -9.764 2.115 11.957 1.00 52.23 H new ATOM 0 HB3 LEU A 69 -8.274 1.259 12.302 1.00 52.23 H new ATOM 0 HG LEU A 69 -10.403 0.351 10.339 1.00 15.23 H new ATOM 0 HD11 LEU A 69 -8.729 0.920 8.651 1.00 32.33 H new ATOM 0 HD12 LEU A 69 -9.208 2.342 9.608 1.00 32.33 H new ATOM 0 HD13 LEU A 69 -7.654 1.536 9.928 1.00 32.33 H new ATOM 0 HD21 LEU A 69 -8.729 -1.311 9.665 1.00 43.02 H new ATOM 0 HD22 LEU A 69 -7.650 -0.750 10.964 1.00 43.02 H new ATOM 0 HD23 LEU A 69 -9.206 -1.515 11.367 1.00 43.02 H new ATOM 288 N MET A 70 -10.281 1.945 14.860 1.00 34.53 N ATOM 289 CA MET A 70 -10.034 2.488 16.182 1.00 11.23 C ATOM 290 C MET A 70 -10.565 1.582 17.282 1.00 20.14 C ATOM 291 O MET A 70 -10.040 1.586 18.394 1.00 12.13 O ATOM 292 CB MET A 70 -10.592 3.870 16.307 1.00 20.21 C ATOM 293 CG MET A 70 -9.998 4.868 15.335 1.00 50.23 C ATOM 294 SD MET A 70 -8.302 5.403 15.702 1.00 14.00 S ATOM 295 CE MET A 70 -7.312 4.005 15.167 1.00 32.32 C ATOM 0 H MET A 70 -10.955 2.466 14.299 1.00 34.53 H new ATOM 0 HA MET A 70 -8.953 2.544 16.309 1.00 11.23 H new ATOM 0 HB2 MET A 70 -11.671 3.830 16.155 1.00 20.21 H new ATOM 0 HB3 MET A 70 -10.426 4.226 17.324 1.00 20.21 H new ATOM 0 HG2 MET A 70 -10.014 4.430 14.337 1.00 50.23 H new ATOM 0 HG3 MET A 70 -10.640 5.748 15.308 1.00 50.23 H new ATOM 0 HE1 MET A 70 -6.377 4.365 14.737 1.00 32.32 H new ATOM 0 HE2 MET A 70 -7.095 3.364 16.022 1.00 32.32 H new ATOM 0 HE3 MET A 70 -7.861 3.436 14.417 1.00 32.32 H new ATOM 305 N LYS A 71 -11.601 0.804 16.990 1.00 13.42 N ATOM 306 CA LYS A 71 -12.085 -0.181 17.947 1.00 22.20 C ATOM 307 C LYS A 71 -10.987 -1.207 18.206 1.00 15.53 C ATOM 308 O LYS A 71 -10.701 -1.547 19.353 1.00 10.41 O ATOM 309 CB LYS A 71 -13.370 -0.866 17.453 1.00 22.21 C ATOM 310 CG LYS A 71 -13.934 -1.894 18.423 1.00 1.14 C ATOM 311 CD LYS A 71 -15.243 -2.476 17.932 1.00 64.05 C ATOM 312 CE LYS A 71 -15.774 -3.512 18.912 1.00 2.01 C ATOM 313 NZ LYS A 71 -17.063 -4.088 18.472 1.00 73.51 N1+ ATOM 0 H LYS A 71 -12.116 0.835 16.110 1.00 13.42 H new ATOM 0 HA LYS A 71 -12.335 0.328 18.878 1.00 22.20 H new ATOM 0 HB2 LYS A 71 -14.127 -0.104 17.266 1.00 22.21 H new ATOM 0 HB3 LYS A 71 -13.166 -1.354 16.500 1.00 22.21 H new ATOM 0 HG2 LYS A 71 -13.210 -2.697 18.563 1.00 1.14 H new ATOM 0 HG3 LYS A 71 -14.086 -1.429 19.397 1.00 1.14 H new ATOM 0 HD2 LYS A 71 -15.976 -1.679 17.805 1.00 64.05 H new ATOM 0 HD3 LYS A 71 -15.098 -2.934 16.954 1.00 64.05 H new ATOM 0 HE2 LYS A 71 -15.041 -4.311 19.026 1.00 2.01 H new ATOM 0 HE3 LYS A 71 -15.899 -3.052 19.892 1.00 2.01 H new ATOM 0 HZ1 LYS A 71 -17.386 -4.788 19.170 1.00 73.51 H new ATOM 0 HZ2 LYS A 71 -17.771 -3.331 18.388 1.00 73.51 H new ATOM 0 HZ3 LYS A 71 -16.939 -4.551 17.549 1.00 73.51 H new ATOM 327 N GLU A 72 -10.319 -1.615 17.129 1.00 62.13 N ATOM 328 CA GLU A 72 -9.210 -2.566 17.195 1.00 43.02 C ATOM 329 C GLU A 72 -7.996 -1.968 17.923 1.00 45.32 C ATOM 330 O GLU A 72 -7.143 -2.693 18.428 1.00 30.13 O ATOM 331 CB GLU A 72 -8.811 -3.026 15.792 1.00 54.31 C ATOM 332 CG GLU A 72 -9.888 -3.814 15.066 1.00 55.45 C ATOM 333 CD GLU A 72 -9.452 -4.283 13.702 1.00 1.43 C ATOM 334 OE1 GLU A 72 -8.440 -5.004 13.610 1.00 43.10 O ATOM 335 OE2 GLU A 72 -10.121 -3.982 12.698 1.00 33.34 O1- ATOM 0 H GLU A 72 -10.531 -1.295 16.184 1.00 62.13 H new ATOM 0 HA GLU A 72 -9.552 -3.429 17.766 1.00 43.02 H new ATOM 0 HB2 GLU A 72 -8.551 -2.152 15.195 1.00 54.31 H new ATOM 0 HB3 GLU A 72 -7.914 -3.640 15.865 1.00 54.31 H new ATOM 0 HG2 GLU A 72 -10.168 -4.678 15.669 1.00 55.45 H new ATOM 0 HG3 GLU A 72 -10.779 -3.194 14.964 1.00 55.45 H new ATOM 342 N LYS A 73 -7.921 -0.653 17.967 1.00 25.44 N ATOM 343 CA LYS A 73 -6.842 0.045 18.666 1.00 12.33 C ATOM 344 C LYS A 73 -7.173 0.298 20.124 1.00 41.22 C ATOM 345 O LYS A 73 -6.299 0.629 20.909 1.00 21.34 O ATOM 346 CB LYS A 73 -6.492 1.360 17.973 1.00 24.45 C ATOM 347 CG LYS A 73 -5.568 1.217 16.789 1.00 75.34 C ATOM 348 CD LYS A 73 -4.177 0.804 17.244 1.00 13.14 C ATOM 349 CE LYS A 73 -3.245 0.601 16.073 1.00 61.12 C ATOM 350 NZ LYS A 73 -3.662 -0.533 15.235 1.00 65.22 N1+ ATOM 0 H LYS A 73 -8.599 -0.034 17.524 1.00 25.44 H new ATOM 0 HA LYS A 73 -5.974 -0.613 18.630 1.00 12.33 H new ATOM 0 HB2 LYS A 73 -7.414 1.838 17.643 1.00 24.45 H new ATOM 0 HB3 LYS A 73 -6.029 2.027 18.700 1.00 24.45 H new ATOM 0 HG2 LYS A 73 -5.966 0.474 16.098 1.00 75.34 H new ATOM 0 HG3 LYS A 73 -5.514 2.161 16.247 1.00 75.34 H new ATOM 0 HD2 LYS A 73 -3.769 1.568 17.906 1.00 13.14 H new ATOM 0 HD3 LYS A 73 -4.242 -0.118 17.822 1.00 13.14 H new ATOM 0 HE2 LYS A 73 -3.216 1.508 15.469 1.00 61.12 H new ATOM 0 HE3 LYS A 73 -2.233 0.430 16.439 1.00 61.12 H new ATOM 0 HZ1 LYS A 73 -2.888 -0.792 14.591 1.00 65.22 H new ATOM 0 HZ2 LYS A 73 -3.894 -1.346 15.841 1.00 65.22 H new ATOM 0 HZ3 LYS A 73 -4.499 -0.265 14.680 1.00 65.22 H new ATOM 364 N GLY A 74 -8.419 0.147 20.482 1.00 41.32 N ATOM 365 CA GLY A 74 -8.799 0.361 21.854 1.00 21.31 C ATOM 366 C GLY A 74 -9.349 1.753 22.108 1.00 24.33 C ATOM 367 O GLY A 74 -9.236 2.284 23.219 1.00 10.01 O ATOM 0 H GLY A 74 -9.179 -0.119 19.855 1.00 41.32 H new ATOM 0 HA2 GLY A 74 -9.550 -0.377 22.137 1.00 21.31 H new ATOM 0 HA3 GLY A 74 -7.933 0.196 22.495 1.00 21.31 H new