USER MOD reduce.3.24.130724 H: found=0, std=0, add=246, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 242 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 ARG N :NH3+ -177:sc= 0 (180deg=-0.0162) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0.2) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.00148 USER MOD Single : A 11 TYR OH : rot 106:sc= 0.0971 USER MOD Single : A 21 SER OG : rot 180:sc= 0.00179 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 Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.437) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 6.079 5.690 -17.940 1.00 14.02 N ATOM 2 CA ARG A 1 5.343 4.459 -18.172 1.00 33.31 C ATOM 3 C ARG A 1 4.697 3.973 -16.873 1.00 11.45 C ATOM 4 O ARG A 1 5.352 3.334 -16.051 1.00 74.50 O ATOM 5 CB ARG A 1 6.261 3.363 -18.717 1.00 53.03 C ATOM 6 CG ARG A 1 6.336 3.420 -20.244 1.00 54.44 C ATOM 7 CD ARG A 1 7.788 3.381 -20.724 1.00 60.00 C ATOM 8 NE ARG A 1 8.464 4.656 -20.395 1.00 63.33 N ATOM 9 CZ ARG A 1 9.522 5.149 -21.074 1.00 71.54 C ATOM 10 NH1 ARG A 1 10.034 4.476 -22.127 1.00 53.12 N ATOM 11 NH2 ARG A 1 10.048 6.298 -20.693 1.00 60.45 N ATOM 0 H1 ARG A 1 6.470 6.036 -18.840 1.00 14.02 H new ATOM 0 H2 ARG A 1 5.439 6.407 -17.542 1.00 14.02 H new ATOM 0 H3 ARG A 1 6.855 5.510 -17.272 1.00 14.02 H new ATOM 0 HA ARG A 1 4.569 4.670 -18.910 1.00 33.31 H new ATOM 0 HB2 ARG A 1 7.260 3.477 -18.296 1.00 53.03 H new ATOM 0 HB3 ARG A 1 5.893 2.386 -18.404 1.00 53.03 H new ATOM 0 HG2 ARG A 1 5.786 2.581 -20.670 1.00 54.44 H new ATOM 0 HG3 ARG A 1 5.856 4.331 -20.601 1.00 54.44 H new ATOM 0 HD2 ARG A 1 8.313 2.550 -20.254 1.00 60.00 H new ATOM 0 HD3 ARG A 1 7.820 3.210 -21.800 1.00 60.00 H new ATOM 0 HE ARG A 1 8.108 5.196 -19.606 1.00 63.33 H new ATOM 0 HH11 ARG A 1 9.621 3.589 -22.415 1.00 53.12 H new ATOM 0 HH12 ARG A 1 10.833 4.855 -22.635 1.00 53.12 H new ATOM 0 HH21 ARG A 1 9.655 6.800 -19.896 1.00 60.45 H new ATOM 0 HH22 ARG A 1 10.847 6.684 -21.195 1.00 60.45 H new ATOM 24 N GLY A 2 3.420 4.296 -16.727 1.00 42.51 N ATOM 25 CA GLY A 2 2.679 3.901 -15.542 1.00 13.44 C ATOM 26 C GLY A 2 1.506 2.989 -15.907 1.00 61.00 C ATOM 27 O GLY A 2 0.440 3.466 -16.294 1.00 4.45 O ATOM 0 H GLY A 2 2.880 4.827 -17.410 1.00 42.51 H new ATOM 0 HA2 GLY A 2 3.343 3.385 -14.849 1.00 13.44 H new ATOM 0 HA3 GLY A 2 2.308 4.788 -15.028 1.00 13.44 H new ATOM 31 N LYS A 3 1.742 1.692 -15.772 1.00 4.32 N ATOM 32 CA LYS A 3 0.719 0.709 -16.083 1.00 21.30 C ATOM 33 C LYS A 3 0.818 -0.454 -15.094 1.00 23.31 C ATOM 34 O LYS A 3 1.916 -0.874 -14.732 1.00 63.31 O ATOM 35 CB LYS A 3 0.816 0.280 -17.548 1.00 62.24 C ATOM 36 CG LYS A 3 0.418 1.425 -18.482 1.00 63.43 C ATOM 37 CD LYS A 3 1.655 2.126 -19.047 1.00 50.24 C ATOM 38 CE LYS A 3 2.035 1.551 -20.413 1.00 42.54 C ATOM 39 NZ LYS A 3 2.456 2.633 -21.332 1.00 3.03 N ATOM 0 H LYS A 3 2.627 1.299 -15.451 1.00 4.32 H new ATOM 0 HA LYS A 3 -0.274 1.143 -15.967 1.00 21.30 H new ATOM 0 HB2 LYS A 3 1.834 -0.039 -17.771 1.00 62.24 H new ATOM 0 HB3 LYS A 3 0.168 -0.579 -17.723 1.00 62.24 H new ATOM 0 HG2 LYS A 3 -0.190 1.038 -19.299 1.00 63.43 H new ATOM 0 HG3 LYS A 3 -0.197 2.144 -17.940 1.00 63.43 H new ATOM 0 HD2 LYS A 3 1.461 3.195 -19.139 1.00 50.24 H new ATOM 0 HD3 LYS A 3 2.490 2.012 -18.355 1.00 50.24 H new ATOM 0 HE2 LYS A 3 2.843 0.829 -20.298 1.00 42.54 H new ATOM 0 HE3 LYS A 3 1.186 1.015 -20.837 1.00 42.54 H new ATOM 0 HZ1 LYS A 3 2.710 2.226 -22.254 1.00 3.03 H new ATOM 0 HZ2 LYS A 3 1.674 3.308 -21.455 1.00 3.03 H new ATOM 0 HZ3 LYS A 3 3.280 3.127 -20.933 1.00 3.03 H new ATOM 52 N TRP A 4 -0.344 -0.942 -14.685 1.00 3.25 N ATOM 53 CA TRP A 4 -0.402 -2.048 -13.744 1.00 64.23 C ATOM 54 C TRP A 4 -1.574 -2.947 -14.143 1.00 41.13 C ATOM 55 O TRP A 4 -2.725 -2.513 -14.132 1.00 20.42 O ATOM 56 CB TRP A 4 -0.501 -1.540 -12.305 1.00 12.32 C ATOM 57 CG TRP A 4 -1.625 -0.527 -12.079 1.00 15.10 C ATOM 58 CD1 TRP A 4 -1.552 0.810 -12.120 1.00 42.52 C ATOM 59 CD2 TRP A 4 -3.004 -0.826 -11.773 1.00 62.31 C ATOM 60 NE1 TRP A 4 -2.777 1.393 -11.864 1.00 64.34 N ATOM 61 CE2 TRP A 4 -3.688 0.366 -11.647 1.00 24.43 C ATOM 62 CE3 TRP A 4 -3.651 -2.063 -11.609 1.00 33.51 C ATOM 63 CZ2 TRP A 4 -5.054 0.438 -11.350 1.00 70.24 C ATOM 64 CZ3 TRP A 4 -5.017 -1.974 -11.313 1.00 61.21 C ATOM 65 CH2 TRP A 4 -5.720 -0.782 -11.182 1.00 62.24 C ATOM 0 H TRP A 4 -1.253 -0.592 -14.988 1.00 3.25 H new ATOM 0 HA TRP A 4 0.516 -2.635 -13.782 1.00 64.23 H new ATOM 0 HB2 TRP A 4 -0.653 -2.390 -11.640 1.00 12.32 H new ATOM 0 HB3 TRP A 4 0.448 -1.083 -12.026 1.00 12.32 H new ATOM 0 HD1 TRP A 4 -0.648 1.363 -12.327 1.00 42.52 H new ATOM 0 HE1 TRP A 4 -2.977 2.393 -11.839 1.00 64.34 H new ATOM 0 HE3 TRP A 4 -3.136 -3.007 -11.704 1.00 33.51 H new ATOM 0 HZ2 TRP A 4 -5.567 1.384 -11.256 1.00 70.24 H new ATOM 0 HZ3 TRP A 4 -5.562 -2.896 -11.177 1.00 61.21 H new ATOM 0 HH2 TRP A 4 -6.775 -0.797 -10.952 1.00 62.24 H new ATOM 76 N THR A 5 -1.241 -4.182 -14.487 1.00 24.31 N ATOM 77 CA THR A 5 -2.251 -5.146 -14.889 1.00 13.22 C ATOM 78 C THR A 5 -2.988 -5.688 -13.663 1.00 32.43 C ATOM 79 O THR A 5 -2.413 -5.784 -12.580 1.00 5.22 O ATOM 80 CB THR A 5 -1.565 -6.234 -15.716 1.00 25.21 C ATOM 81 OG1 THR A 5 -1.095 -5.547 -16.873 1.00 34.12 O ATOM 82 CG2 THR A 5 -2.554 -7.262 -16.269 1.00 13.23 C ATOM 0 H THR A 5 -0.285 -4.538 -14.496 1.00 24.31 H new ATOM 0 HA THR A 5 -3.016 -4.681 -15.510 1.00 13.22 H new ATOM 0 HB THR A 5 -0.821 -6.741 -15.101 1.00 25.21 H new ATOM 0 HG1 THR A 5 -0.635 -6.179 -17.464 1.00 34.12 H new ATOM 0 HG21 THR A 5 -2.014 -8.011 -16.848 1.00 13.23 H new ATOM 0 HG22 THR A 5 -3.074 -7.747 -15.443 1.00 13.23 H new ATOM 0 HG23 THR A 5 -3.279 -6.761 -16.910 1.00 13.23 H new ATOM 90 N TYR A 6 -4.251 -6.030 -13.874 1.00 2.20 N ATOM 91 CA TYR A 6 -5.072 -6.560 -12.799 1.00 75.44 C ATOM 92 C TYR A 6 -5.645 -7.930 -13.172 1.00 2.33 C ATOM 93 O TYR A 6 -5.442 -8.907 -12.454 1.00 24.44 O ATOM 94 CB TYR A 6 -6.225 -5.570 -12.622 1.00 32.32 C ATOM 95 CG TYR A 6 -7.462 -6.169 -11.949 1.00 61.20 C ATOM 96 CD1 TYR A 6 -7.383 -6.642 -10.655 1.00 3.53 C ATOM 97 CD2 TYR A 6 -8.657 -6.237 -12.637 1.00 23.35 C ATOM 98 CE1 TYR A 6 -8.547 -7.205 -10.022 1.00 23.35 C ATOM 99 CE2 TYR A 6 -9.821 -6.801 -12.003 1.00 63.14 C ATOM 100 CZ TYR A 6 -9.708 -7.257 -10.727 1.00 72.31 C ATOM 101 OH TYR A 6 -10.808 -7.790 -10.129 1.00 45.21 O ATOM 0 H TYR A 6 -4.725 -5.950 -14.773 1.00 2.20 H new ATOM 0 HA TYR A 6 -4.483 -6.683 -11.890 1.00 75.44 H new ATOM 0 HB2 TYR A 6 -5.876 -4.724 -12.030 1.00 32.32 H new ATOM 0 HB3 TYR A 6 -6.509 -5.180 -13.599 1.00 32.32 H new ATOM 0 HD1 TYR A 6 -6.448 -6.590 -10.117 1.00 3.53 H new ATOM 0 HD2 TYR A 6 -8.719 -5.868 -13.650 1.00 23.35 H new ATOM 0 HE1 TYR A 6 -8.499 -7.578 -9.010 1.00 23.35 H new ATOM 0 HE2 TYR A 6 -10.762 -6.860 -12.529 1.00 63.14 H new ATOM 0 HH TYR A 6 -11.565 -7.761 -10.751 1.00 45.21 H new ATOM 111 N ASN A 7 -6.349 -7.956 -14.294 1.00 10.14 N ATOM 112 CA ASN A 7 -6.952 -9.189 -14.770 1.00 32.10 C ATOM 113 C ASN A 7 -6.504 -9.448 -16.210 1.00 22.13 C ATOM 114 O ASN A 7 -7.325 -9.747 -17.075 1.00 51.02 O ATOM 115 CB ASN A 7 -8.479 -9.095 -14.760 1.00 52.01 C ATOM 116 CG ASN A 7 -9.112 -10.471 -14.542 1.00 1.23 C ATOM 117 OD1 ASN A 7 -9.235 -11.277 -15.449 1.00 24.43 O ATOM 118 ND2 ASN A 7 -9.506 -10.693 -13.291 1.00 4.31 N ATOM 0 H ASN A 7 -6.515 -7.143 -14.887 1.00 10.14 H new ATOM 0 HA ASN A 7 -6.636 -9.996 -14.109 1.00 32.10 H new ATOM 0 HB2 ASN A 7 -8.800 -8.414 -13.972 1.00 52.01 H new ATOM 0 HB3 ASN A 7 -8.827 -8.676 -15.704 1.00 52.01 H new ATOM 0 HD21 ASN A 7 -9.941 -11.582 -13.043 1.00 4.31 H new ATOM 0 HD22 ASN A 7 -9.373 -9.974 -12.579 1.00 4.31 H new ATOM 125 N GLY A 8 -5.202 -9.324 -16.422 1.00 21.04 N ATOM 126 CA GLY A 8 -4.634 -9.541 -17.742 1.00 14.05 C ATOM 127 C GLY A 8 -4.692 -8.262 -18.580 1.00 24.41 C ATOM 128 O GLY A 8 -3.712 -7.896 -19.227 1.00 2.43 O ATOM 0 H GLY A 8 -4.524 -9.076 -15.702 1.00 21.04 H new ATOM 0 HA2 GLY A 8 -3.600 -9.871 -17.647 1.00 14.05 H new ATOM 0 HA3 GLY A 8 -5.178 -10.338 -18.250 1.00 14.05 H new ATOM 132 N ILE A 9 -5.849 -7.619 -18.541 1.00 52.05 N ATOM 133 CA ILE A 9 -6.047 -6.389 -19.290 1.00 31.14 C ATOM 134 C ILE A 9 -5.043 -5.339 -18.811 1.00 44.11 C ATOM 135 O ILE A 9 -4.827 -5.183 -17.610 1.00 41.12 O ATOM 136 CB ILE A 9 -7.505 -5.934 -19.196 1.00 3.40 C ATOM 137 CG1 ILE A 9 -8.061 -5.589 -20.579 1.00 13.32 C ATOM 138 CG2 ILE A 9 -7.654 -4.772 -18.212 1.00 2.32 C ATOM 139 CD1 ILE A 9 -7.042 -4.795 -21.398 1.00 5.22 C ATOM 0 H ILE A 9 -6.659 -7.926 -18.003 1.00 52.05 H new ATOM 0 HA ILE A 9 -5.856 -6.553 -20.351 1.00 31.14 H new ATOM 0 HB ILE A 9 -8.098 -6.762 -18.808 1.00 3.40 H new ATOM 0 HG12 ILE A 9 -8.323 -6.505 -21.108 1.00 13.32 H new ATOM 0 HG13 ILE A 9 -8.978 -5.009 -20.472 1.00 13.32 H new ATOM 0 HG21 ILE A 9 -8.700 -4.468 -18.164 1.00 2.32 H new ATOM 0 HG22 ILE A 9 -7.322 -5.088 -17.223 1.00 2.32 H new ATOM 0 HG23 ILE A 9 -7.047 -3.931 -18.547 1.00 2.32 H new ATOM 0 HD11 ILE A 9 -7.463 -4.563 -22.376 1.00 5.22 H new ATOM 0 HD12 ILE A 9 -6.800 -3.868 -20.878 1.00 5.22 H new ATOM 0 HD13 ILE A 9 -6.136 -5.387 -21.524 1.00 5.22 H new ATOM 151 N THR A 10 -4.455 -4.646 -19.775 1.00 51.23 N ATOM 152 CA THR A 10 -3.479 -3.615 -19.467 1.00 45.25 C ATOM 153 C THR A 10 -4.181 -2.294 -19.146 1.00 23.35 C ATOM 154 O THR A 10 -5.003 -1.818 -19.926 1.00 53.03 O ATOM 155 CB THR A 10 -2.508 -3.515 -20.646 1.00 73.53 C ATOM 156 OG1 THR A 10 -2.367 -4.861 -21.094 1.00 4.04 O ATOM 157 CG2 THR A 10 -1.097 -3.117 -20.211 1.00 3.10 C ATOM 0 H THR A 10 -4.636 -4.778 -20.770 1.00 51.23 H new ATOM 0 HA THR A 10 -2.906 -3.868 -18.575 1.00 45.25 H new ATOM 0 HB THR A 10 -2.884 -2.787 -21.365 1.00 73.53 H new ATOM 0 HG1 THR A 10 -1.755 -4.889 -21.859 1.00 4.04 H new ATOM 0 HG21 THR A 10 -0.449 -3.061 -21.086 1.00 3.10 H new ATOM 0 HG22 THR A 10 -1.128 -2.145 -19.719 1.00 3.10 H new ATOM 0 HG23 THR A 10 -0.706 -3.862 -19.517 1.00 3.10 H new ATOM 165 N TYR A 11 -3.830 -1.740 -17.994 1.00 74.12 N ATOM 166 CA TYR A 11 -4.417 -0.484 -17.559 1.00 41.23 C ATOM 167 C TYR A 11 -3.511 0.697 -17.915 1.00 62.44 C ATOM 168 O TYR A 11 -2.399 0.807 -17.402 1.00 5.01 O ATOM 169 CB TYR A 11 -4.536 -0.579 -16.037 1.00 0.30 C ATOM 170 CG TYR A 11 -5.814 -1.268 -15.555 1.00 1.14 C ATOM 171 CD1 TYR A 11 -6.599 -1.969 -16.447 1.00 62.43 C ATOM 172 CD2 TYR A 11 -6.182 -1.188 -14.227 1.00 20.21 C ATOM 173 CE1 TYR A 11 -7.802 -2.618 -15.993 1.00 64.14 C ATOM 174 CE2 TYR A 11 -7.385 -1.837 -13.773 1.00 2.20 C ATOM 175 CZ TYR A 11 -8.135 -2.520 -14.679 1.00 12.24 C ATOM 176 OH TYR A 11 -9.271 -3.132 -14.250 1.00 32.41 O ATOM 0 H TYR A 11 -3.147 -2.138 -17.349 1.00 74.12 H new ATOM 0 HA TYR A 11 -5.379 -0.322 -18.044 1.00 41.23 H new ATOM 0 HB2 TYR A 11 -3.674 -1.122 -15.649 1.00 0.30 H new ATOM 0 HB3 TYR A 11 -4.496 0.426 -15.616 1.00 0.30 H new ATOM 0 HD1 TYR A 11 -6.311 -2.031 -17.486 1.00 62.43 H new ATOM 0 HD2 TYR A 11 -5.568 -0.639 -13.529 1.00 20.21 H new ATOM 0 HE1 TYR A 11 -8.425 -3.170 -16.681 1.00 64.14 H new ATOM 0 HE2 TYR A 11 -7.685 -1.783 -12.737 1.00 2.20 H new ATOM 0 HH TYR A 11 -9.037 -3.931 -13.733 1.00 32.41 H new ATOM 186 N GLU A 12 -4.021 1.549 -18.792 1.00 44.20 N ATOM 187 CA GLU A 12 -3.271 2.717 -19.223 1.00 13.32 C ATOM 188 C GLU A 12 -3.914 3.993 -18.674 1.00 34.50 C ATOM 189 O GLU A 12 -5.138 4.122 -18.667 1.00 64.23 O ATOM 190 CB GLU A 12 -3.166 2.769 -20.748 1.00 41.22 C ATOM 191 CG GLU A 12 -4.552 2.844 -21.391 1.00 71.15 C ATOM 192 CD GLU A 12 -4.620 3.977 -22.418 1.00 30.33 C ATOM 193 OE1 GLU A 12 -4.734 5.152 -22.038 1.00 33.54 O ATOM 194 OE2 GLU A 12 -4.549 3.601 -23.650 1.00 4.32 O ATOM 0 H GLU A 12 -4.944 1.454 -19.216 1.00 44.20 H new ATOM 0 HA GLU A 12 -2.259 2.642 -18.824 1.00 13.32 H new ATOM 0 HB2 GLU A 12 -2.576 3.635 -21.046 1.00 41.22 H new ATOM 0 HB3 GLU A 12 -2.641 1.885 -21.110 1.00 41.22 H new ATOM 0 HG2 GLU A 12 -4.784 1.895 -21.875 1.00 71.15 H new ATOM 0 HG3 GLU A 12 -5.306 3.001 -20.620 1.00 71.15 H new ATOM 202 N GLY A 13 -3.061 4.902 -18.227 1.00 12.30 N ATOM 203 CA GLY A 13 -3.531 6.163 -17.677 1.00 60.35 C ATOM 204 C GLY A 13 -4.056 5.978 -16.252 1.00 65.01 C ATOM 205 O GLY A 13 -4.020 4.873 -15.712 1.00 40.40 O ATOM 0 H GLY A 13 -2.047 4.791 -18.234 1.00 12.30 H new ATOM 0 HA2 GLY A 13 -2.718 6.889 -17.677 1.00 60.35 H new ATOM 0 HA3 GLY A 13 -4.321 6.568 -18.310 1.00 60.35 H new ATOM 209 N GLY A 14 -4.530 7.076 -15.683 1.00 53.44 N ATOM 210 CA GLY A 14 -5.061 7.049 -14.331 1.00 55.52 C ATOM 211 C GLY A 14 -4.011 6.545 -13.339 1.00 73.14 C ATOM 212 O GLY A 14 -3.967 5.356 -13.028 1.00 33.21 O ATOM 0 H GLY A 14 -4.557 7.991 -16.134 1.00 53.44 H new ATOM 0 HA2 GLY A 14 -5.387 8.049 -14.044 1.00 55.52 H new ATOM 0 HA3 GLY A 14 -5.940 6.405 -14.294 1.00 55.52 H new ATOM 216 N GLY A 15 -3.191 7.474 -12.871 1.00 54.20 N ATOM 217 CA GLY A 15 -2.144 7.139 -11.921 1.00 34.40 C ATOM 218 C GLY A 15 -2.544 7.541 -10.500 1.00 2.11 C ATOM 219 O GLY A 15 -2.993 6.705 -9.717 1.00 41.22 O ATOM 0 H GLY A 15 -3.230 8.459 -13.132 1.00 54.20 H new ATOM 0 HA2 GLY A 15 -1.944 6.068 -11.957 1.00 34.40 H new ATOM 0 HA3 GLY A 15 -1.220 7.645 -12.199 1.00 34.40 H new ATOM 223 N GLY A 16 -2.366 8.821 -10.210 1.00 1.53 N ATOM 224 CA GLY A 16 -2.702 9.345 -8.897 1.00 31.04 C ATOM 225 C GLY A 16 -4.017 10.127 -8.938 1.00 62.41 C ATOM 226 O GLY A 16 -4.100 11.174 -9.577 1.00 12.51 O ATOM 0 H GLY A 16 -1.993 9.511 -10.862 1.00 1.53 H new ATOM 0 HA2 GLY A 16 -2.785 8.524 -8.184 1.00 31.04 H new ATOM 0 HA3 GLY A 16 -1.900 9.994 -8.544 1.00 31.04 H new ATOM 230 N GLY A 17 -5.011 9.587 -8.249 1.00 31.13 N ATOM 231 CA GLY A 17 -6.318 10.221 -8.199 1.00 23.33 C ATOM 232 C GLY A 17 -7.277 9.579 -9.203 1.00 34.54 C ATOM 233 O GLY A 17 -6.960 8.552 -9.801 1.00 30.55 O ATOM 0 H GLY A 17 -4.938 8.718 -7.721 1.00 31.13 H new ATOM 0 HA2 GLY A 17 -6.729 10.137 -7.193 1.00 23.33 H new ATOM 0 HA3 GLY A 17 -6.219 11.285 -8.415 1.00 23.33 H new ATOM 237 N GLY A 18 -8.432 10.210 -9.357 1.00 3.34 N ATOM 238 CA GLY A 18 -9.440 9.713 -10.278 1.00 3.53 C ATOM 239 C GLY A 18 -10.716 10.554 -10.199 1.00 60.33 C ATOM 240 O GLY A 18 -10.737 11.700 -10.646 1.00 34.33 O ATOM 0 H GLY A 18 -8.692 11.061 -8.859 1.00 3.34 H new ATOM 0 HA2 GLY A 18 -9.050 9.733 -11.295 1.00 3.53 H new ATOM 0 HA3 GLY A 18 -9.670 8.673 -10.045 1.00 3.53 H new ATOM 244 N GLY A 19 -11.749 9.951 -9.629 1.00 2.35 N ATOM 245 CA GLY A 19 -13.026 10.630 -9.486 1.00 22.31 C ATOM 246 C GLY A 19 -14.095 9.678 -8.944 1.00 4.40 C ATOM 247 O GLY A 19 -14.038 8.474 -9.185 1.00 74.44 O ATOM 0 H GLY A 19 -11.728 9.000 -9.261 1.00 2.35 H new ATOM 0 HA2 GLY A 19 -12.916 11.481 -8.813 1.00 22.31 H new ATOM 0 HA3 GLY A 19 -13.342 11.026 -10.451 1.00 22.31 H new ATOM 251 N GLY A 20 -15.044 10.256 -8.222 1.00 24.54 N ATOM 252 CA GLY A 20 -16.124 9.474 -7.644 1.00 4.14 C ATOM 253 C GLY A 20 -15.578 8.389 -6.713 1.00 12.23 C ATOM 254 O GLY A 20 -14.366 8.262 -6.545 1.00 73.21 O ATOM 0 H GLY A 20 -15.087 11.256 -8.024 1.00 24.54 H new ATOM 0 HA2 GLY A 20 -16.796 10.129 -7.090 1.00 4.14 H new ATOM 0 HA3 GLY A 20 -16.711 9.014 -8.439 1.00 4.14 H new ATOM 258 N SER A 21 -16.499 7.635 -6.132 1.00 34.14 N ATOM 259 CA SER A 21 -16.126 6.565 -5.222 1.00 51.00 C ATOM 260 C SER A 21 -15.945 5.258 -5.997 1.00 55.32 C ATOM 261 O SER A 21 -16.315 4.189 -5.514 1.00 11.42 O ATOM 262 CB SER A 21 -17.173 6.388 -4.120 1.00 41.34 C ATOM 263 OG SER A 21 -18.031 7.521 -4.013 1.00 74.31 O ATOM 0 H SER A 21 -17.503 7.744 -6.274 1.00 34.14 H new ATOM 0 HA SER A 21 -15.182 6.833 -4.748 1.00 51.00 H new ATOM 0 HB2 SER A 21 -17.770 5.499 -4.326 1.00 41.34 H new ATOM 0 HB3 SER A 21 -16.672 6.221 -3.167 1.00 41.34 H new ATOM 0 HG SER A 21 -18.686 7.369 -3.300 1.00 74.31 H new ATOM 269 N ALA A 22 -15.377 5.387 -7.187 1.00 51.21 N ATOM 270 CA ALA A 22 -15.143 4.230 -8.034 1.00 21.11 C ATOM 271 C ALA A 22 -13.871 3.515 -7.573 1.00 34.34 C ATOM 272 O ALA A 22 -13.671 2.339 -7.875 1.00 53.55 O ATOM 273 CB ALA A 22 -15.064 4.674 -9.496 1.00 11.42 C ATOM 0 H ALA A 22 -15.072 6.275 -7.585 1.00 51.21 H new ATOM 0 HA ALA A 22 -15.968 3.522 -7.952 1.00 21.11 H new ATOM 0 HB1 ALA A 22 -14.888 3.806 -10.131 1.00 11.42 H new ATOM 0 HB2 ALA A 22 -16.002 5.150 -9.783 1.00 11.42 H new ATOM 0 HB3 ALA A 22 -14.245 5.383 -9.617 1.00 11.42 H new ATOM 279 N ALA A 23 -13.045 4.254 -6.847 1.00 60.14 N ATOM 280 CA ALA A 23 -11.798 3.705 -6.341 1.00 54.13 C ATOM 281 C ALA A 23 -11.861 3.633 -4.814 1.00 44.03 C ATOM 282 O ALA A 23 -10.829 3.532 -4.152 1.00 34.45 O ATOM 283 CB ALA A 23 -10.627 4.555 -6.838 1.00 13.44 C ATOM 0 H ALA A 23 -13.215 5.228 -6.597 1.00 60.14 H new ATOM 0 HA ALA A 23 -11.645 2.692 -6.713 1.00 54.13 H new ATOM 0 HB1 ALA A 23 -9.692 4.143 -6.459 1.00 13.44 H new ATOM 0 HB2 ALA A 23 -10.610 4.549 -7.928 1.00 13.44 H new ATOM 0 HB3 ALA A 23 -10.744 5.579 -6.482 1.00 13.44 H new ATOM 289 N GLU A 24 -13.081 3.688 -4.300 1.00 44.24 N ATOM 290 CA GLU A 24 -13.291 3.630 -2.864 1.00 1.52 C ATOM 291 C GLU A 24 -13.295 2.177 -2.386 1.00 2.01 C ATOM 292 O GLU A 24 -12.887 1.888 -1.262 1.00 12.41 O ATOM 293 CB GLU A 24 -14.588 4.340 -2.471 1.00 2.45 C ATOM 294 CG GLU A 24 -15.790 3.405 -2.614 1.00 11.13 C ATOM 295 CD GLU A 24 -17.076 4.090 -2.146 1.00 70.41 C ATOM 296 OE1 GLU A 24 -17.019 5.036 -1.347 1.00 32.24 O ATOM 297 OE2 GLU A 24 -18.163 3.606 -2.644 1.00 53.23 O ATOM 0 H GLU A 24 -13.934 3.772 -4.853 1.00 44.24 H new ATOM 0 HA GLU A 24 -12.468 4.150 -2.375 1.00 1.52 H new ATOM 0 HB2 GLU A 24 -14.517 4.692 -1.442 1.00 2.45 H new ATOM 0 HB3 GLU A 24 -14.730 5.219 -3.099 1.00 2.45 H new ATOM 0 HG2 GLU A 24 -15.895 3.098 -3.655 1.00 11.13 H new ATOM 0 HG3 GLU A 24 -15.623 2.500 -2.030 1.00 11.13 H new ATOM 305 N ALA A 25 -13.760 1.300 -3.264 1.00 1.34 N ATOM 306 CA ALA A 25 -13.822 -0.116 -2.945 1.00 72.24 C ATOM 307 C ALA A 25 -12.425 -0.611 -2.567 1.00 61.53 C ATOM 308 O ALA A 25 -12.282 -1.484 -1.712 1.00 10.32 O ATOM 309 CB ALA A 25 -14.410 -0.881 -4.133 1.00 14.11 C ATOM 0 H ALA A 25 -14.097 1.543 -4.196 1.00 1.34 H new ATOM 0 HA ALA A 25 -14.475 -0.289 -2.090 1.00 72.24 H new ATOM 0 HB1 ALA A 25 -14.457 -1.944 -3.894 1.00 14.11 H new ATOM 0 HB2 ALA A 25 -15.414 -0.512 -4.343 1.00 14.11 H new ATOM 0 HB3 ALA A 25 -13.779 -0.733 -5.009 1.00 14.11 H new ATOM 315 N TYR A 26 -11.429 -0.034 -3.223 1.00 54.53 N ATOM 316 CA TYR A 26 -10.048 -0.405 -2.967 1.00 34.34 C ATOM 317 C TYR A 26 -9.498 0.336 -1.747 1.00 15.54 C ATOM 318 O TYR A 26 -8.754 -0.235 -0.952 1.00 4.01 O ATOM 319 CB TYR A 26 -9.260 0.021 -4.206 1.00 45.32 C ATOM 320 CG TYR A 26 -8.265 1.156 -3.951 1.00 74.21 C ATOM 321 CD1 TYR A 26 -7.216 0.970 -3.074 1.00 71.12 C ATOM 322 CD2 TYR A 26 -8.418 2.366 -4.598 1.00 61.50 C ATOM 323 CE1 TYR A 26 -6.280 2.038 -2.834 1.00 74.31 C ATOM 324 CE2 TYR A 26 -7.482 3.433 -4.358 1.00 12.41 C ATOM 325 CZ TYR A 26 -6.460 3.217 -3.488 1.00 23.22 C ATOM 326 OH TYR A 26 -5.576 4.225 -3.261 1.00 40.40 O ATOM 0 H TYR A 26 -11.551 0.689 -3.932 1.00 54.53 H new ATOM 0 HA TYR A 26 -9.969 -1.474 -2.769 1.00 34.34 H new ATOM 0 HB2 TYR A 26 -8.719 -0.842 -4.595 1.00 45.32 H new ATOM 0 HB3 TYR A 26 -9.961 0.333 -4.980 1.00 45.32 H new ATOM 0 HD1 TYR A 26 -7.097 0.024 -2.568 1.00 71.12 H new ATOM 0 HD2 TYR A 26 -9.239 2.512 -5.284 1.00 61.50 H new ATOM 0 HE1 TYR A 26 -5.454 1.906 -2.151 1.00 74.31 H new ATOM 0 HE2 TYR A 26 -7.589 4.384 -4.858 1.00 12.41 H new ATOM 0 HH TYR A 26 -5.827 5.007 -3.796 1.00 40.40 H new ATOM 336 N ALA A 27 -9.887 1.598 -1.636 1.00 51.34 N ATOM 337 CA ALA A 27 -9.442 2.424 -0.527 1.00 14.23 C ATOM 338 C ALA A 27 -10.235 2.055 0.728 1.00 34.54 C ATOM 339 O ALA A 27 -9.931 2.529 1.822 1.00 64.43 O ATOM 340 CB ALA A 27 -9.592 3.901 -0.897 1.00 52.12 C ATOM 0 H ALA A 27 -10.506 2.068 -2.296 1.00 51.34 H new ATOM 0 HA ALA A 27 -8.388 2.246 -0.316 1.00 14.23 H new ATOM 0 HB1 ALA A 27 -9.258 4.520 -0.065 1.00 52.12 H new ATOM 0 HB2 ALA A 27 -8.987 4.119 -1.777 1.00 52.12 H new ATOM 0 HB3 ALA A 27 -10.638 4.117 -1.113 1.00 52.12 H new ATOM 346 N LYS A 28 -11.238 1.211 0.529 1.00 3.32 N ATOM 347 CA LYS A 28 -12.077 0.773 1.631 1.00 21.53 C ATOM 348 C LYS A 28 -11.384 -0.375 2.369 1.00 42.11 C ATOM 349 O LYS A 28 -11.393 -0.423 3.598 1.00 12.10 O ATOM 350 CB LYS A 28 -13.480 0.423 1.130 1.00 2.25 C ATOM 351 CG LYS A 28 -14.038 -0.795 1.869 1.00 60.11 C ATOM 352 CD LYS A 28 -15.405 -1.196 1.311 1.00 51.43 C ATOM 353 CE LYS A 28 -16.378 -1.541 2.440 1.00 54.34 C ATOM 354 NZ LYS A 28 -16.891 -0.307 3.077 1.00 74.32 N ATOM 0 H LYS A 28 -11.488 0.819 -0.379 1.00 3.32 H new ATOM 0 HA LYS A 28 -12.212 1.580 2.351 1.00 21.53 H new ATOM 0 HB2 LYS A 28 -14.144 1.275 1.273 1.00 2.25 H new ATOM 0 HB3 LYS A 28 -13.448 0.220 0.060 1.00 2.25 H new ATOM 0 HG2 LYS A 28 -13.344 -1.630 1.776 1.00 60.11 H new ATOM 0 HG3 LYS A 28 -14.127 -0.571 2.932 1.00 60.11 H new ATOM 0 HD2 LYS A 28 -15.811 -0.380 0.713 1.00 51.43 H new ATOM 0 HD3 LYS A 28 -15.294 -2.053 0.647 1.00 51.43 H new ATOM 0 HE2 LYS A 28 -17.209 -2.126 2.046 1.00 54.34 H new ATOM 0 HE3 LYS A 28 -15.876 -2.160 3.184 1.00 54.34 H new ATOM 0 HZ1 LYS A 28 -17.550 -0.559 3.841 1.00 74.32 H new ATOM 0 HZ2 LYS A 28 -16.096 0.237 3.470 1.00 74.32 H new ATOM 0 HZ3 LYS A 28 -17.387 0.269 2.368 1.00 74.32 H new ATOM 367 N ARG A 29 -10.799 -1.271 1.587 1.00 11.24 N ATOM 368 CA ARG A 29 -10.103 -2.415 2.151 1.00 4.30 C ATOM 369 C ARG A 29 -8.709 -2.004 2.631 1.00 70.02 C ATOM 370 O ARG A 29 -8.265 -2.430 3.696 1.00 41.21 O ATOM 371 CB ARG A 29 -9.970 -3.540 1.123 1.00 45.21 C ATOM 372 CG ARG A 29 -11.286 -3.757 0.374 1.00 32.24 C ATOM 373 CD ARG A 29 -12.394 -4.200 1.332 1.00 74.11 C ATOM 374 NE ARG A 29 -13.648 -4.435 0.581 1.00 62.40 N ATOM 375 CZ ARG A 29 -14.878 -4.415 1.137 1.00 71.45 C ATOM 376 NH1 ARG A 29 -15.030 -4.170 2.455 1.00 34.23 N ATOM 377 NH2 ARG A 29 -15.930 -4.639 0.371 1.00 62.21 N ATOM 0 H ARG A 29 -10.793 -1.228 0.568 1.00 11.24 H new ATOM 0 HA ARG A 29 -10.690 -2.777 2.995 1.00 4.30 H new ATOM 0 HB2 ARG A 29 -9.179 -3.297 0.413 1.00 45.21 H new ATOM 0 HB3 ARG A 29 -9.676 -4.462 1.624 1.00 45.21 H new ATOM 0 HG2 ARG A 29 -11.580 -2.835 -0.127 1.00 32.24 H new ATOM 0 HG3 ARG A 29 -11.148 -4.510 -0.401 1.00 32.24 H new ATOM 0 HD2 ARG A 29 -12.095 -5.111 1.851 1.00 74.11 H new ATOM 0 HD3 ARG A 29 -12.554 -3.437 2.094 1.00 74.11 H new ATOM 0 HE ARG A 29 -13.578 -4.624 -0.419 1.00 62.40 H new ATOM 0 HH11 ARG A 29 -14.212 -3.998 3.039 1.00 34.23 H new ATOM 0 HH12 ARG A 29 -15.963 -4.157 2.867 1.00 34.23 H new ATOM 0 HH21 ARG A 29 -15.806 -4.823 -0.624 1.00 62.21 H new ATOM 0 HH22 ARG A 29 -16.867 -4.628 0.775 1.00 62.21 H new ATOM 390 N ILE A 30 -8.058 -1.181 1.821 1.00 30.55 N ATOM 391 CA ILE A 30 -6.724 -0.709 2.150 1.00 1.41 C ATOM 392 C ILE A 30 -6.633 -0.459 3.657 1.00 42.42 C ATOM 393 O ILE A 30 -5.825 -1.080 4.345 1.00 21.40 O ATOM 394 CB ILE A 30 -6.364 0.512 1.301 1.00 11.42 C ATOM 395 CG1 ILE A 30 -6.271 0.142 -0.180 1.00 42.04 C ATOM 396 CG2 ILE A 30 -5.081 1.174 1.809 1.00 52.14 C ATOM 397 CD1 ILE A 30 -4.816 0.137 -0.654 1.00 21.13 C ATOM 0 H ILE A 30 -8.430 -0.830 0.939 1.00 30.55 H new ATOM 0 HA ILE A 30 -5.980 -1.468 1.907 1.00 1.41 H new ATOM 0 HB ILE A 30 -7.165 1.245 1.399 1.00 11.42 H new ATOM 0 HG12 ILE A 30 -6.713 -0.841 -0.341 1.00 42.04 H new ATOM 0 HG13 ILE A 30 -6.848 0.852 -0.773 1.00 42.04 H new ATOM 0 HG21 ILE A 30 -4.848 2.039 1.188 1.00 52.14 H new ATOM 0 HG22 ILE A 30 -5.221 1.495 2.841 1.00 52.14 H new ATOM 0 HG23 ILE A 30 -4.259 0.460 1.760 1.00 52.14 H new ATOM 0 HD11 ILE A 30 -4.778 -0.129 -1.710 1.00 21.13 H new ATOM 0 HD12 ILE A 30 -4.384 1.128 -0.514 1.00 21.13 H new ATOM 0 HD13 ILE A 30 -4.247 -0.591 -0.076 1.00 21.13 H new ATOM 409 N ALA A 31 -7.473 0.453 4.125 1.00 62.21 N ATOM 410 CA ALA A 31 -7.497 0.793 5.537 1.00 32.44 C ATOM 411 C ALA A 31 -7.346 -0.484 6.367 1.00 13.23 C ATOM 412 O ALA A 31 -6.452 -0.581 7.206 1.00 2.01 O ATOM 413 CB ALA A 31 -8.789 1.548 5.859 1.00 64.33 C ATOM 0 H ALA A 31 -8.142 0.967 3.551 1.00 62.21 H new ATOM 0 HA ALA A 31 -6.664 1.450 5.788 1.00 32.44 H new ATOM 0 HB1 ALA A 31 -8.807 1.803 6.919 1.00 64.33 H new ATOM 0 HB2 ALA A 31 -8.835 2.461 5.265 1.00 64.33 H new ATOM 0 HB3 ALA A 31 -9.647 0.918 5.623 1.00 64.33 H new ATOM 419 N GLU A 32 -8.235 -1.431 6.104 1.00 4.04 N ATOM 420 CA GLU A 32 -8.211 -2.697 6.817 1.00 74.35 C ATOM 421 C GLU A 32 -6.781 -3.236 6.895 1.00 14.25 C ATOM 422 O GLU A 32 -6.266 -3.480 7.985 1.00 4.01 O ATOM 423 CB GLU A 32 -9.145 -3.715 6.157 1.00 45.52 C ATOM 424 CG GLU A 32 -10.553 -3.140 5.991 1.00 2.11 C ATOM 425 CD GLU A 32 -11.615 -4.212 6.242 1.00 54.13 C ATOM 426 OE1 GLU A 32 -11.731 -4.719 7.367 1.00 21.04 O ATOM 427 OE2 GLU A 32 -12.338 -4.514 5.216 1.00 3.24 O ATOM 0 H GLU A 32 -8.976 -1.347 5.408 1.00 4.04 H new ATOM 0 HA GLU A 32 -8.570 -2.527 7.832 1.00 74.35 H new ATOM 0 HB2 GLU A 32 -8.748 -4.000 5.183 1.00 45.52 H new ATOM 0 HB3 GLU A 32 -9.187 -4.621 6.762 1.00 45.52 H new ATOM 0 HG2 GLU A 32 -10.696 -2.312 6.685 1.00 2.11 H new ATOM 0 HG3 GLU A 32 -10.669 -2.736 4.985 1.00 2.11 H new ATOM 435 N ALA A 33 -6.181 -3.405 5.726 1.00 34.04 N ATOM 436 CA ALA A 33 -4.821 -3.910 5.650 1.00 71.15 C ATOM 437 C ALA A 33 -3.903 -3.020 6.490 1.00 71.30 C ATOM 438 O ALA A 33 -3.001 -3.515 7.164 1.00 2.52 O ATOM 439 CB ALA A 33 -4.384 -3.980 4.185 1.00 53.21 C ATOM 0 H ALA A 33 -6.612 -3.201 4.824 1.00 34.04 H new ATOM 0 HA ALA A 33 -4.763 -4.920 6.057 1.00 71.15 H new ATOM 0 HB1 ALA A 33 -3.364 -4.359 4.127 1.00 53.21 H new ATOM 0 HB2 ALA A 33 -5.050 -4.647 3.638 1.00 53.21 H new ATOM 0 HB3 ALA A 33 -4.427 -2.984 3.745 1.00 53.21 H new ATOM 445 N MET A 34 -4.165 -1.723 6.422 1.00 20.32 N ATOM 446 CA MET A 34 -3.374 -0.760 7.168 1.00 5.05 C ATOM 447 C MET A 34 -3.944 -0.553 8.573 1.00 2.51 C ATOM 448 O MET A 34 -3.658 0.454 9.220 1.00 34.34 O ATOM 449 CB MET A 34 -3.357 0.575 6.422 1.00 50.33 C ATOM 450 CG MET A 34 -2.774 0.411 5.017 1.00 64.42 C ATOM 451 SD MET A 34 -0.991 0.358 5.098 1.00 33.23 S ATOM 452 CE MET A 34 -0.617 -0.080 3.409 1.00 64.01 C ATOM 0 H MET A 34 -4.914 -1.317 5.862 1.00 20.32 H new ATOM 0 HA MET A 34 -2.359 -1.147 7.261 1.00 5.05 H new ATOM 0 HB2 MET A 34 -4.370 0.971 6.355 1.00 50.33 H new ATOM 0 HB3 MET A 34 -2.767 1.301 6.982 1.00 50.33 H new ATOM 0 HG2 MET A 34 -3.153 -0.504 4.562 1.00 64.42 H new ATOM 0 HG3 MET A 34 -3.093 1.238 4.383 1.00 64.42 H new ATOM 0 HE1 MET A 34 0.463 -0.156 3.283 1.00 64.01 H new ATOM 0 HE2 MET A 34 -1.078 -1.039 3.171 1.00 64.01 H new ATOM 0 HE3 MET A 34 -1.007 0.686 2.739 1.00 64.01 H new ATOM 462 N ALA A 35 -4.739 -1.521 9.003 1.00 54.20 N ATOM 463 CA ALA A 35 -5.352 -1.457 10.319 1.00 72.01 C ATOM 464 C ALA A 35 -5.147 -2.792 11.038 1.00 60.15 C ATOM 465 O ALA A 35 -6.095 -3.554 11.222 1.00 0.23 O ATOM 466 CB ALA A 35 -6.831 -1.093 10.176 1.00 14.03 C ATOM 0 H ALA A 35 -4.973 -2.354 8.464 1.00 54.20 H new ATOM 0 HA ALA A 35 -4.882 -0.681 10.924 1.00 72.01 H new ATOM 0 HB1 ALA A 35 -7.291 -1.045 11.163 1.00 14.03 H new ATOM 0 HB2 ALA A 35 -6.921 -0.124 9.686 1.00 14.03 H new ATOM 0 HB3 ALA A 35 -7.336 -1.851 9.577 1.00 14.03 H new ATOM 472 N LYS A 36 -3.903 -3.035 11.423 1.00 0.24 N ATOM 473 CA LYS A 36 -3.561 -4.265 12.118 1.00 53.33 C ATOM 474 C LYS A 36 -3.352 -3.965 13.603 1.00 25.14 C ATOM 475 O LYS A 36 -3.432 -4.864 14.439 1.00 73.20 O ATOM 476 CB LYS A 36 -2.361 -4.941 11.451 1.00 13.52 C ATOM 477 CG LYS A 36 -1.202 -3.956 11.282 1.00 21.52 C ATOM 478 CD LYS A 36 -1.160 -3.398 9.859 1.00 52.45 C ATOM 479 CE LYS A 36 0.137 -2.625 9.611 1.00 52.04 C ATOM 480 NZ LYS A 36 0.131 -2.023 8.259 1.00 51.53 N ATOM 0 H LYS A 36 -3.119 -2.401 11.267 1.00 0.24 H new ATOM 0 HA LYS A 36 -4.379 -4.982 12.050 1.00 53.33 H new ATOM 0 HB2 LYS A 36 -2.037 -5.790 12.052 1.00 13.52 H new ATOM 0 HB3 LYS A 36 -2.655 -5.333 10.477 1.00 13.52 H new ATOM 0 HG2 LYS A 36 -1.309 -3.138 11.994 1.00 21.52 H new ATOM 0 HG3 LYS A 36 -0.260 -4.455 11.509 1.00 21.52 H new ATOM 0 HD2 LYS A 36 -1.244 -4.215 9.142 1.00 52.45 H new ATOM 0 HD3 LYS A 36 -2.015 -2.742 9.696 1.00 52.45 H new ATOM 0 HE2 LYS A 36 0.251 -1.844 10.363 1.00 52.04 H new ATOM 0 HE3 LYS A 36 0.991 -3.294 9.714 1.00 52.04 H new ATOM 0 HZ1 LYS A 36 1.105 -1.787 7.980 1.00 51.53 H new ATOM 0 HZ2 LYS A 36 -0.270 -2.700 7.579 1.00 51.53 H new ATOM 0 HZ3 LYS A 36 -0.446 -1.158 8.267 1.00 51.53 H new ATOM 493 N GLY A 37 -3.086 -2.698 13.887 1.00 33.52 N ATOM 494 CA GLY A 37 -2.864 -2.269 15.257 1.00 34.15 C ATOM 495 C GLY A 37 -4.112 -2.500 16.113 1.00 4.12 C ATOM 496 O GLY A 37 -4.980 -1.633 16.198 1.00 43.21 O ATOM 0 H GLY A 37 -3.019 -1.955 13.191 1.00 33.52 H new ATOM 0 HA2 GLY A 37 -2.022 -2.815 15.681 1.00 34.15 H new ATOM 0 HA3 GLY A 37 -2.599 -1.212 15.272 1.00 34.15 H new TER 500 GLY A 37