USER MOD reduce.3.24.130724 H: found=0, std=0, add=246, rem=0, adj=6 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+ 180:sc= 0 (180deg=0) 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= -0.21 K(o=-0.21,f=-0.99) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0224 USER MOD Single : A 11 TYR OH : rot -130:sc= 0.572 USER MOD Single : A 21 SER OG : rot 22:sc= -0.664! 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+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -6.175 7.858 -8.752 1.00 64.44 N ATOM 2 CA ARG A 1 -5.525 8.601 -9.819 1.00 21.33 C ATOM 3 C ARG A 1 -4.270 7.864 -10.291 1.00 3.05 C ATOM 4 O ARG A 1 -3.430 7.478 -9.479 1.00 32.24 O ATOM 5 CB ARG A 1 -5.139 10.006 -9.354 1.00 44.42 C ATOM 6 CG ARG A 1 -6.326 10.965 -9.464 1.00 3.54 C ATOM 7 CD ARG A 1 -5.943 12.225 -10.243 1.00 42.12 C ATOM 8 NE ARG A 1 -5.587 13.313 -9.305 1.00 24.54 N ATOM 9 CZ ARG A 1 -5.686 14.627 -9.596 1.00 71.12 C ATOM 10 NH1 ARG A 1 -6.133 15.029 -10.805 1.00 64.42 N ATOM 11 NH2 ARG A 1 -5.340 15.513 -8.681 1.00 50.45 N ATOM 0 H1 ARG A 1 -7.025 8.369 -8.441 1.00 64.44 H new ATOM 0 H2 ARG A 1 -6.445 6.916 -9.100 1.00 64.44 H new ATOM 0 H3 ARG A 1 -5.520 7.756 -7.951 1.00 64.44 H new ATOM 0 HA ARG A 1 -6.232 8.685 -10.644 1.00 21.33 H new ATOM 0 HB2 ARG A 1 -4.791 9.969 -8.322 1.00 44.42 H new ATOM 0 HB3 ARG A 1 -4.310 10.377 -9.956 1.00 44.42 H new ATOM 0 HG2 ARG A 1 -7.157 10.465 -9.961 1.00 3.54 H new ATOM 0 HG3 ARG A 1 -6.669 11.240 -8.467 1.00 3.54 H new ATOM 0 HD2 ARG A 1 -5.101 12.013 -10.902 1.00 42.12 H new ATOM 0 HD3 ARG A 1 -6.773 12.537 -10.876 1.00 42.12 H new ATOM 0 HE ARG A 1 -5.245 13.053 -8.380 1.00 24.54 H new ATOM 0 HH11 ARG A 1 -6.399 14.338 -11.506 1.00 64.42 H new ATOM 0 HH12 ARG A 1 -6.205 16.024 -11.017 1.00 64.42 H new ATOM 0 HH21 ARG A 1 -5.004 15.201 -7.770 1.00 50.45 H new ATOM 0 HH22 ARG A 1 -5.409 16.510 -8.885 1.00 50.45 H new ATOM 24 N GLY A 2 -4.181 7.691 -11.601 1.00 50.52 N ATOM 25 CA GLY A 2 -3.042 7.008 -12.191 1.00 34.13 C ATOM 26 C GLY A 2 -3.445 5.631 -12.723 1.00 24.25 C ATOM 27 O GLY A 2 -4.631 5.314 -12.801 1.00 44.15 O ATOM 0 H GLY A 2 -4.879 8.012 -12.271 1.00 50.52 H new ATOM 0 HA2 GLY A 2 -2.633 7.610 -13.002 1.00 34.13 H new ATOM 0 HA3 GLY A 2 -2.254 6.898 -11.446 1.00 34.13 H new ATOM 31 N LYS A 3 -2.434 4.849 -13.074 1.00 12.15 N ATOM 32 CA LYS A 3 -2.668 3.513 -13.596 1.00 4.34 C ATOM 33 C LYS A 3 -3.244 2.631 -12.487 1.00 23.53 C ATOM 34 O LYS A 3 -2.678 2.547 -11.398 1.00 0.34 O ATOM 35 CB LYS A 3 -1.391 2.954 -14.226 1.00 62.22 C ATOM 36 CG LYS A 3 -0.327 2.682 -13.161 1.00 22.11 C ATOM 37 CD LYS A 3 1.025 2.368 -13.804 1.00 64.32 C ATOM 38 CE LYS A 3 2.166 3.040 -13.038 1.00 24.32 C ATOM 39 NZ LYS A 3 3.476 2.631 -13.594 1.00 54.34 N ATOM 0 H LYS A 3 -1.452 5.115 -13.007 1.00 12.15 H new ATOM 0 HA LYS A 3 -3.406 3.540 -14.398 1.00 4.34 H new ATOM 0 HB2 LYS A 3 -1.619 2.032 -14.761 1.00 62.22 H new ATOM 0 HB3 LYS A 3 -1.004 3.661 -14.960 1.00 62.22 H new ATOM 0 HG2 LYS A 3 -0.231 3.550 -12.508 1.00 22.11 H new ATOM 0 HG3 LYS A 3 -0.639 1.846 -12.535 1.00 22.11 H new ATOM 0 HD2 LYS A 3 1.181 1.289 -13.823 1.00 64.32 H new ATOM 0 HD3 LYS A 3 1.027 2.709 -14.839 1.00 64.32 H new ATOM 0 HE2 LYS A 3 2.062 4.123 -13.096 1.00 24.32 H new ATOM 0 HE3 LYS A 3 2.112 2.771 -11.983 1.00 24.32 H new ATOM 0 HZ1 LYS A 3 4.239 3.096 -13.062 1.00 54.34 H new ATOM 0 HZ2 LYS A 3 3.579 1.599 -13.516 1.00 54.34 H new ATOM 0 HZ3 LYS A 3 3.531 2.910 -14.594 1.00 54.34 H new ATOM 52 N TRP A 4 -4.362 1.994 -12.802 1.00 61.30 N ATOM 53 CA TRP A 4 -5.021 1.120 -11.846 1.00 2.21 C ATOM 54 C TRP A 4 -5.090 -0.281 -12.456 1.00 34.43 C ATOM 55 O TRP A 4 -5.022 -0.436 -13.674 1.00 25.30 O ATOM 56 CB TRP A 4 -6.394 1.671 -11.456 1.00 3.14 C ATOM 57 CG TRP A 4 -7.316 1.944 -12.645 1.00 41.25 C ATOM 58 CD1 TRP A 4 -7.459 3.085 -13.334 1.00 10.14 C ATOM 59 CD2 TRP A 4 -8.223 1.007 -13.263 1.00 62.23 C ATOM 60 NE1 TRP A 4 -8.388 2.952 -14.345 1.00 51.44 N ATOM 61 CE2 TRP A 4 -8.867 1.648 -14.301 1.00 52.33 C ATOM 62 CE3 TRP A 4 -8.490 -0.339 -12.955 1.00 43.22 C ATOM 63 CZ2 TRP A 4 -9.820 1.024 -15.115 1.00 62.42 C ATOM 64 CZ3 TRP A 4 -9.444 -0.949 -13.778 1.00 13.11 C ATOM 65 CH2 TRP A 4 -10.102 -0.317 -14.827 1.00 0.13 C ATOM 0 H TRP A 4 -4.829 2.066 -13.706 1.00 61.30 H new ATOM 0 HA TRP A 4 -4.454 1.067 -10.917 1.00 2.21 H new ATOM 0 HB2 TRP A 4 -6.882 0.962 -10.787 1.00 3.14 H new ATOM 0 HB3 TRP A 4 -6.257 2.596 -10.896 1.00 3.14 H new ATOM 0 HD1 TRP A 4 -6.915 3.994 -13.124 1.00 10.14 H new ATOM 0 HE1 TRP A 4 -8.671 3.677 -15.004 1.00 51.44 H new ATOM 0 HE3 TRP A 4 -7.998 -0.861 -12.147 1.00 43.22 H new ATOM 0 HZ2 TRP A 4 -10.311 1.549 -15.921 1.00 62.42 H new ATOM 0 HZ3 TRP A 4 -9.686 -1.984 -13.584 1.00 13.11 H new ATOM 0 HH2 TRP A 4 -10.827 -0.858 -15.417 1.00 0.13 H new ATOM 76 N THR A 5 -5.226 -1.267 -11.580 1.00 40.34 N ATOM 77 CA THR A 5 -5.306 -2.650 -12.017 1.00 64.23 C ATOM 78 C THR A 5 -6.421 -3.382 -11.269 1.00 21.53 C ATOM 79 O THR A 5 -6.613 -3.171 -10.072 1.00 61.32 O ATOM 80 CB THR A 5 -3.927 -3.286 -11.827 1.00 71.14 C ATOM 81 OG1 THR A 5 -3.678 -3.165 -10.430 1.00 13.44 O ATOM 82 CG2 THR A 5 -2.810 -2.467 -12.477 1.00 61.12 C ATOM 0 H THR A 5 -5.283 -1.135 -10.570 1.00 40.34 H new ATOM 0 HA THR A 5 -5.568 -2.717 -13.073 1.00 64.23 H new ATOM 0 HB THR A 5 -3.931 -4.292 -12.247 1.00 71.14 H new ATOM 0 HG1 THR A 5 -2.804 -3.554 -10.219 1.00 13.44 H new ATOM 0 HG21 THR A 5 -1.853 -2.962 -12.313 1.00 61.12 H new ATOM 0 HG22 THR A 5 -2.996 -2.383 -13.548 1.00 61.12 H new ATOM 0 HG23 THR A 5 -2.784 -1.471 -12.034 1.00 61.12 H new ATOM 90 N TYR A 6 -7.127 -4.228 -12.004 1.00 72.42 N ATOM 91 CA TYR A 6 -8.218 -4.993 -11.425 1.00 34.22 C ATOM 92 C TYR A 6 -7.866 -6.480 -11.349 1.00 20.21 C ATOM 93 O TYR A 6 -7.939 -7.085 -10.281 1.00 32.45 O ATOM 94 CB TYR A 6 -9.409 -4.811 -12.369 1.00 23.04 C ATOM 95 CG TYR A 6 -10.767 -5.072 -11.715 1.00 21.42 C ATOM 96 CD1 TYR A 6 -11.277 -4.173 -10.801 1.00 15.21 C ATOM 97 CD2 TYR A 6 -11.482 -6.208 -12.039 1.00 3.44 C ATOM 98 CE1 TYR A 6 -12.556 -4.419 -10.185 1.00 41.25 C ATOM 99 CE2 TYR A 6 -12.760 -6.454 -11.423 1.00 51.42 C ATOM 100 CZ TYR A 6 -13.234 -5.547 -10.527 1.00 71.00 C ATOM 101 OH TYR A 6 -14.442 -5.779 -9.946 1.00 25.42 O ATOM 0 H TYR A 6 -6.965 -4.401 -12.996 1.00 72.42 H new ATOM 0 HA TYR A 6 -8.431 -4.651 -10.412 1.00 34.22 H new ATOM 0 HB2 TYR A 6 -9.396 -3.794 -12.762 1.00 23.04 H new ATOM 0 HB3 TYR A 6 -9.292 -5.483 -13.219 1.00 23.04 H new ATOM 0 HD1 TYR A 6 -10.717 -3.285 -10.547 1.00 15.21 H new ATOM 0 HD2 TYR A 6 -11.083 -6.912 -12.754 1.00 3.44 H new ATOM 0 HE1 TYR A 6 -12.967 -3.724 -9.468 1.00 41.25 H new ATOM 0 HE2 TYR A 6 -13.329 -7.339 -11.667 1.00 51.42 H new ATOM 0 HH TYR A 6 -14.812 -6.621 -10.285 1.00 25.42 H new ATOM 111 N ASN A 7 -7.491 -7.026 -12.496 1.00 72.14 N ATOM 112 CA ASN A 7 -7.127 -8.431 -12.573 1.00 53.24 C ATOM 113 C ASN A 7 -5.766 -8.638 -11.905 1.00 55.15 C ATOM 114 O ASN A 7 -5.667 -9.329 -10.893 1.00 2.34 O ATOM 115 CB ASN A 7 -7.015 -8.892 -14.028 1.00 11.31 C ATOM 116 CG ASN A 7 -8.104 -9.912 -14.365 1.00 62.42 C ATOM 117 OD1 ASN A 7 -8.515 -10.715 -13.543 1.00 51.41 O ATOM 118 ND2 ASN A 7 -8.546 -9.838 -15.617 1.00 50.23 N ATOM 0 H ASN A 7 -7.431 -6.521 -13.380 1.00 72.14 H new ATOM 0 HA ASN A 7 -7.903 -9.009 -12.071 1.00 53.24 H new ATOM 0 HB2 ASN A 7 -7.098 -8.032 -14.693 1.00 11.31 H new ATOM 0 HB3 ASN A 7 -6.033 -9.333 -14.199 1.00 11.31 H new ATOM 0 HD21 ASN A 7 -9.272 -10.477 -15.940 1.00 50.23 H new ATOM 0 HD22 ASN A 7 -8.159 -9.142 -16.254 1.00 50.23 H new ATOM 125 N GLY A 8 -4.752 -8.027 -12.500 1.00 12.22 N ATOM 126 CA GLY A 8 -3.402 -8.135 -11.975 1.00 64.51 C ATOM 127 C GLY A 8 -2.367 -7.793 -13.049 1.00 21.20 C ATOM 128 O GLY A 8 -1.352 -8.476 -13.178 1.00 41.11 O ATOM 0 H GLY A 8 -4.839 -7.456 -13.340 1.00 12.22 H new ATOM 0 HA2 GLY A 8 -3.284 -7.464 -11.124 1.00 64.51 H new ATOM 0 HA3 GLY A 8 -3.230 -9.147 -11.609 1.00 64.51 H new ATOM 132 N ILE A 9 -2.660 -6.736 -13.792 1.00 61.22 N ATOM 133 CA ILE A 9 -1.768 -6.295 -14.851 1.00 23.12 C ATOM 134 C ILE A 9 -2.033 -4.819 -15.153 1.00 51.04 C ATOM 135 O ILE A 9 -3.184 -4.386 -15.189 1.00 21.12 O ATOM 136 CB ILE A 9 -1.895 -7.206 -16.073 1.00 72.13 C ATOM 137 CG1 ILE A 9 -3.357 -7.348 -16.501 1.00 53.03 C ATOM 138 CG2 ILE A 9 -1.239 -8.564 -15.816 1.00 21.11 C ATOM 139 CD1 ILE A 9 -3.643 -6.523 -17.758 1.00 13.24 C ATOM 0 H ILE A 9 -3.503 -6.172 -13.682 1.00 61.22 H new ATOM 0 HA ILE A 9 -0.729 -6.374 -14.531 1.00 23.12 H new ATOM 0 HB ILE A 9 -1.360 -6.742 -16.902 1.00 72.13 H new ATOM 0 HG12 ILE A 9 -3.584 -8.397 -16.691 1.00 53.03 H new ATOM 0 HG13 ILE A 9 -4.010 -7.022 -15.691 1.00 53.03 H new ATOM 0 HG21 ILE A 9 -1.344 -9.192 -16.701 1.00 21.11 H new ATOM 0 HG22 ILE A 9 -0.181 -8.421 -15.596 1.00 21.11 H new ATOM 0 HG23 ILE A 9 -1.724 -9.048 -14.968 1.00 21.11 H new ATOM 0 HD11 ILE A 9 -4.689 -6.642 -18.041 1.00 13.24 H new ATOM 0 HD12 ILE A 9 -3.438 -5.471 -17.557 1.00 13.24 H new ATOM 0 HD13 ILE A 9 -3.006 -6.868 -18.572 1.00 13.24 H new ATOM 151 N THR A 10 -0.949 -4.087 -15.364 1.00 51.10 N ATOM 152 CA THR A 10 -1.050 -2.668 -15.663 1.00 33.45 C ATOM 153 C THR A 10 -2.057 -2.431 -16.790 1.00 64.33 C ATOM 154 O THR A 10 -2.075 -3.167 -17.776 1.00 21.33 O ATOM 155 CB THR A 10 0.354 -2.151 -15.982 1.00 74.21 C ATOM 156 OG1 THR A 10 1.148 -2.606 -14.890 1.00 62.33 O ATOM 157 CG2 THR A 10 0.448 -0.626 -15.902 1.00 23.25 C ATOM 0 H THR A 10 0.004 -4.450 -15.334 1.00 51.10 H new ATOM 0 HA THR A 10 -1.430 -2.109 -14.808 1.00 33.45 H new ATOM 0 HB THR A 10 0.644 -2.481 -16.980 1.00 74.21 H new ATOM 0 HG1 THR A 10 2.075 -2.316 -15.017 1.00 62.33 H new ATOM 0 HG21 THR A 10 1.465 -0.311 -16.137 1.00 23.25 H new ATOM 0 HG22 THR A 10 -0.244 -0.181 -16.617 1.00 23.25 H new ATOM 0 HG23 THR A 10 0.190 -0.298 -14.895 1.00 23.25 H new ATOM 165 N TYR A 11 -2.869 -1.401 -16.608 1.00 34.11 N ATOM 166 CA TYR A 11 -3.876 -1.058 -17.598 1.00 12.32 C ATOM 167 C TYR A 11 -3.525 0.253 -18.305 1.00 61.34 C ATOM 168 O TYR A 11 -2.692 1.019 -17.823 1.00 15.01 O ATOM 169 CB TYR A 11 -5.182 -0.871 -16.824 1.00 34.15 C ATOM 170 CG TYR A 11 -5.800 -2.178 -16.321 1.00 51.52 C ATOM 171 CD1 TYR A 11 -5.161 -3.378 -16.556 1.00 74.14 C ATOM 172 CD2 TYR A 11 -6.996 -2.156 -15.633 1.00 12.52 C ATOM 173 CE1 TYR A 11 -5.743 -4.608 -16.084 1.00 2.34 C ATOM 174 CE2 TYR A 11 -7.578 -3.385 -15.160 1.00 24.20 C ATOM 175 CZ TYR A 11 -6.922 -4.551 -15.409 1.00 12.42 C ATOM 176 OH TYR A 11 -7.471 -5.712 -14.962 1.00 53.12 O ATOM 0 H TYR A 11 -2.851 -0.792 -15.790 1.00 34.11 H new ATOM 0 HA TYR A 11 -3.948 -1.836 -18.358 1.00 12.32 H new ATOM 0 HB2 TYR A 11 -4.997 -0.217 -15.972 1.00 34.15 H new ATOM 0 HB3 TYR A 11 -5.903 -0.363 -17.465 1.00 34.15 H new ATOM 0 HD1 TYR A 11 -4.225 -3.395 -17.094 1.00 74.14 H new ATOM 0 HD2 TYR A 11 -7.496 -1.216 -15.449 1.00 12.52 H new ATOM 0 HE1 TYR A 11 -5.254 -5.554 -16.262 1.00 2.34 H new ATOM 0 HE2 TYR A 11 -8.513 -3.382 -14.620 1.00 24.20 H new ATOM 0 HH TYR A 11 -8.412 -5.755 -15.234 1.00 53.12 H new ATOM 186 N GLU A 12 -4.177 0.470 -19.438 1.00 71.30 N ATOM 187 CA GLU A 12 -3.944 1.674 -20.217 1.00 12.12 C ATOM 188 C GLU A 12 -5.275 2.288 -20.656 1.00 70.11 C ATOM 189 O GLU A 12 -6.307 1.619 -20.637 1.00 14.42 O ATOM 190 CB GLU A 12 -3.050 1.382 -21.424 1.00 11.34 C ATOM 191 CG GLU A 12 -3.765 0.478 -22.430 1.00 10.32 C ATOM 192 CD GLU A 12 -2.865 0.173 -23.629 1.00 2.03 C ATOM 193 OE1 GLU A 12 -1.637 0.093 -23.477 1.00 63.13 O ATOM 194 OE2 GLU A 12 -3.484 0.016 -24.749 1.00 70.34 O ATOM 0 H GLU A 12 -4.867 -0.168 -19.835 1.00 71.30 H new ATOM 0 HA GLU A 12 -3.423 2.396 -19.587 1.00 12.12 H new ATOM 0 HB2 GLU A 12 -2.768 2.318 -21.907 1.00 11.34 H new ATOM 0 HB3 GLU A 12 -2.128 0.904 -21.091 1.00 11.34 H new ATOM 0 HG2 GLU A 12 -4.057 -0.453 -21.944 1.00 10.32 H new ATOM 0 HG3 GLU A 12 -4.681 0.961 -22.771 1.00 10.32 H new ATOM 202 N GLY A 13 -5.208 3.554 -21.042 1.00 22.42 N ATOM 203 CA GLY A 13 -6.395 4.265 -21.485 1.00 63.02 C ATOM 204 C GLY A 13 -6.027 5.623 -22.087 1.00 73.33 C ATOM 205 O GLY A 13 -4.876 6.048 -22.012 1.00 4.24 O ATOM 0 H GLY A 13 -4.350 4.105 -21.057 1.00 22.42 H new ATOM 0 HA2 GLY A 13 -6.927 3.667 -22.225 1.00 63.02 H new ATOM 0 HA3 GLY A 13 -7.073 4.408 -20.644 1.00 63.02 H new ATOM 209 N GLY A 14 -7.028 6.265 -22.672 1.00 3.22 N ATOM 210 CA GLY A 14 -6.824 7.566 -23.287 1.00 33.04 C ATOM 211 C GLY A 14 -8.043 8.467 -23.079 1.00 54.13 C ATOM 212 O GLY A 14 -9.061 8.028 -22.546 1.00 71.32 O ATOM 0 H GLY A 14 -7.982 5.909 -22.733 1.00 3.22 H new ATOM 0 HA2 GLY A 14 -5.940 8.040 -22.860 1.00 33.04 H new ATOM 0 HA3 GLY A 14 -6.636 7.443 -24.354 1.00 33.04 H new ATOM 216 N GLY A 15 -7.900 9.711 -23.512 1.00 11.22 N ATOM 217 CA GLY A 15 -8.977 10.678 -23.380 1.00 61.14 C ATOM 218 C GLY A 15 -8.488 11.952 -22.689 1.00 52.40 C ATOM 219 O GLY A 15 -7.554 12.599 -23.160 1.00 52.42 O ATOM 0 H GLY A 15 -7.055 10.072 -23.955 1.00 11.22 H new ATOM 0 HA2 GLY A 15 -9.373 10.924 -24.365 1.00 61.14 H new ATOM 0 HA3 GLY A 15 -9.795 10.241 -22.808 1.00 61.14 H new ATOM 223 N GLY A 16 -9.142 12.275 -21.583 1.00 22.04 N ATOM 224 CA GLY A 16 -8.786 13.460 -20.822 1.00 4.53 C ATOM 225 C GLY A 16 -8.233 13.083 -19.446 1.00 1.33 C ATOM 226 O GLY A 16 -7.194 12.432 -19.347 1.00 72.23 O ATOM 0 H GLY A 16 -9.917 11.736 -21.196 1.00 22.04 H new ATOM 0 HA2 GLY A 16 -8.043 14.039 -21.370 1.00 4.53 H new ATOM 0 HA3 GLY A 16 -9.662 14.097 -20.703 1.00 4.53 H new ATOM 230 N GLY A 17 -8.952 13.509 -18.418 1.00 1.05 N ATOM 231 CA GLY A 17 -8.546 13.224 -17.052 1.00 15.14 C ATOM 232 C GLY A 17 -8.635 11.726 -16.754 1.00 72.25 C ATOM 233 O GLY A 17 -8.661 10.908 -17.673 1.00 32.34 O ATOM 0 H GLY A 17 -9.813 14.049 -18.503 1.00 1.05 H new ATOM 0 HA2 GLY A 17 -7.525 13.570 -16.893 1.00 15.14 H new ATOM 0 HA3 GLY A 17 -9.181 13.775 -16.358 1.00 15.14 H new ATOM 237 N GLY A 18 -8.679 11.412 -15.468 1.00 74.21 N ATOM 238 CA GLY A 18 -8.765 10.026 -15.038 1.00 43.34 C ATOM 239 C GLY A 18 -10.177 9.474 -15.245 1.00 3.21 C ATOM 240 O GLY A 18 -10.704 9.508 -16.356 1.00 12.44 O ATOM 0 H GLY A 18 -8.657 12.093 -14.709 1.00 74.21 H new ATOM 0 HA2 GLY A 18 -8.049 9.423 -15.597 1.00 43.34 H new ATOM 0 HA3 GLY A 18 -8.492 9.950 -13.985 1.00 43.34 H new ATOM 244 N GLY A 19 -10.748 8.978 -14.158 1.00 14.14 N ATOM 245 CA GLY A 19 -12.089 8.419 -14.205 1.00 41.44 C ATOM 246 C GLY A 19 -12.064 6.912 -13.947 1.00 31.52 C ATOM 247 O GLY A 19 -11.794 6.127 -14.855 1.00 30.24 O ATOM 0 H GLY A 19 -10.307 8.951 -13.239 1.00 14.14 H new ATOM 0 HA2 GLY A 19 -12.717 8.909 -13.461 1.00 41.44 H new ATOM 0 HA3 GLY A 19 -12.536 8.617 -15.179 1.00 41.44 H new ATOM 251 N GLY A 20 -12.350 6.552 -12.704 1.00 65.10 N ATOM 252 CA GLY A 20 -12.363 5.152 -12.314 1.00 54.14 C ATOM 253 C GLY A 20 -12.484 5.007 -10.796 1.00 74.42 C ATOM 254 O GLY A 20 -12.244 5.960 -10.057 1.00 21.55 O ATOM 0 H GLY A 20 -12.575 7.206 -11.954 1.00 65.10 H new ATOM 0 HA2 GLY A 20 -13.196 4.643 -12.799 1.00 54.14 H new ATOM 0 HA3 GLY A 20 -11.450 4.667 -12.658 1.00 54.14 H new ATOM 258 N SER A 21 -12.857 3.806 -10.377 1.00 13.44 N ATOM 259 CA SER A 21 -13.013 3.524 -8.960 1.00 32.11 C ATOM 260 C SER A 21 -11.730 3.887 -8.210 1.00 12.14 C ATOM 261 O SER A 21 -10.645 3.438 -8.575 1.00 1.20 O ATOM 262 CB SER A 21 -13.366 2.054 -8.727 1.00 71.41 C ATOM 263 OG SER A 21 -12.233 1.202 -8.878 1.00 52.31 O ATOM 0 H SER A 21 -13.055 3.018 -10.993 1.00 13.44 H new ATOM 0 HA SER A 21 -13.834 4.132 -8.579 1.00 32.11 H new ATOM 0 HB2 SER A 21 -13.778 1.935 -7.725 1.00 71.41 H new ATOM 0 HB3 SER A 21 -14.143 1.752 -9.429 1.00 71.41 H new ATOM 0 HG SER A 21 -11.413 1.723 -8.753 1.00 52.31 H new ATOM 269 N ALA A 22 -11.897 4.697 -7.174 1.00 72.41 N ATOM 270 CA ALA A 22 -10.766 5.125 -6.369 1.00 50.21 C ATOM 271 C ALA A 22 -10.807 4.410 -5.017 1.00 74.02 C ATOM 272 O ALA A 22 -9.812 3.830 -4.587 1.00 62.42 O ATOM 273 CB ALA A 22 -10.790 6.648 -6.224 1.00 14.10 C ATOM 0 H ALA A 22 -12.799 5.068 -6.874 1.00 72.41 H new ATOM 0 HA ALA A 22 -9.827 4.858 -6.854 1.00 50.21 H new ATOM 0 HB1 ALA A 22 -9.941 6.969 -5.620 1.00 14.10 H new ATOM 0 HB2 ALA A 22 -10.729 7.108 -7.210 1.00 14.10 H new ATOM 0 HB3 ALA A 22 -11.717 6.953 -5.738 1.00 14.10 H new ATOM 279 N ALA A 23 -11.970 4.475 -4.385 1.00 2.13 N ATOM 280 CA ALA A 23 -12.154 3.841 -3.090 1.00 71.14 C ATOM 281 C ALA A 23 -11.954 2.331 -3.234 1.00 71.21 C ATOM 282 O ALA A 23 -11.676 1.642 -2.254 1.00 30.21 O ATOM 283 CB ALA A 23 -13.537 4.196 -2.540 1.00 3.11 C ATOM 0 H ALA A 23 -12.794 4.957 -4.745 1.00 2.13 H new ATOM 0 HA ALA A 23 -11.416 4.205 -2.376 1.00 71.14 H new ATOM 0 HB1 ALA A 23 -13.675 3.721 -1.569 1.00 3.11 H new ATOM 0 HB2 ALA A 23 -13.618 5.277 -2.430 1.00 3.11 H new ATOM 0 HB3 ALA A 23 -14.304 3.843 -3.229 1.00 3.11 H new ATOM 289 N GLU A 24 -12.103 1.861 -4.464 1.00 34.22 N ATOM 290 CA GLU A 24 -11.943 0.445 -4.749 1.00 3.05 C ATOM 291 C GLU A 24 -10.479 0.129 -5.061 1.00 43.33 C ATOM 292 O GLU A 24 -10.172 -0.924 -5.618 1.00 53.33 O ATOM 293 CB GLU A 24 -12.855 0.010 -5.897 1.00 61.31 C ATOM 294 CG GLU A 24 -14.328 0.189 -5.525 1.00 52.35 C ATOM 295 CD GLU A 24 -15.241 -0.391 -6.608 1.00 12.25 C ATOM 296 OE1 GLU A 24 -15.013 -1.518 -7.072 1.00 53.43 O ATOM 297 OE2 GLU A 24 -16.218 0.373 -6.964 1.00 31.24 O ATOM 0 H GLU A 24 -12.333 2.436 -5.275 1.00 34.22 H new ATOM 0 HA GLU A 24 -12.235 -0.119 -3.864 1.00 3.05 H new ATOM 0 HB2 GLU A 24 -12.628 0.595 -6.788 1.00 61.31 H new ATOM 0 HB3 GLU A 24 -12.663 -1.034 -6.143 1.00 61.31 H new ATOM 0 HG2 GLU A 24 -14.529 -0.303 -4.573 1.00 52.35 H new ATOM 0 HG3 GLU A 24 -14.546 1.248 -5.389 1.00 52.35 H new ATOM 305 N ALA A 25 -9.613 1.061 -4.689 1.00 71.13 N ATOM 306 CA ALA A 25 -8.189 0.895 -4.923 1.00 44.22 C ATOM 307 C ALA A 25 -7.425 1.201 -3.633 1.00 54.30 C ATOM 308 O ALA A 25 -6.533 0.450 -3.242 1.00 50.34 O ATOM 309 CB ALA A 25 -7.754 1.792 -6.084 1.00 71.34 C ATOM 0 H ALA A 25 -9.871 1.933 -4.227 1.00 71.13 H new ATOM 0 HA ALA A 25 -7.964 -0.134 -5.203 1.00 44.22 H new ATOM 0 HB1 ALA A 25 -6.685 1.667 -6.259 1.00 71.34 H new ATOM 0 HB2 ALA A 25 -8.304 1.515 -6.983 1.00 71.34 H new ATOM 0 HB3 ALA A 25 -7.962 2.833 -5.837 1.00 71.34 H new ATOM 315 N TYR A 26 -7.804 2.306 -3.007 1.00 72.10 N ATOM 316 CA TYR A 26 -7.167 2.721 -1.769 1.00 25.40 C ATOM 317 C TYR A 26 -7.918 2.171 -0.555 1.00 2.45 C ATOM 318 O TYR A 26 -7.313 1.584 0.341 1.00 65.02 O ATOM 319 CB TYR A 26 -7.238 4.249 -1.749 1.00 63.24 C ATOM 320 CG TYR A 26 -8.073 4.818 -0.601 1.00 1.10 C ATOM 321 CD1 TYR A 26 -7.678 4.615 0.706 1.00 35.00 C ATOM 322 CD2 TYR A 26 -9.221 5.535 -0.872 1.00 22.23 C ATOM 323 CE1 TYR A 26 -8.465 5.151 1.787 1.00 64.10 C ATOM 324 CE2 TYR A 26 -10.007 6.071 0.209 1.00 21.32 C ATOM 325 CZ TYR A 26 -9.590 5.852 1.485 1.00 0.32 C ATOM 326 OH TYR A 26 -10.332 6.358 2.506 1.00 14.41 O ATOM 0 H TYR A 26 -8.544 2.926 -3.334 1.00 72.10 H new ATOM 0 HA TYR A 26 -6.143 2.350 -1.721 1.00 25.40 H new ATOM 0 HB2 TYR A 26 -6.226 4.649 -1.681 1.00 63.24 H new ATOM 0 HB3 TYR A 26 -7.655 4.596 -2.695 1.00 63.24 H new ATOM 0 HD1 TYR A 26 -6.779 4.055 0.918 1.00 35.00 H new ATOM 0 HD2 TYR A 26 -9.530 5.694 -1.895 1.00 22.23 H new ATOM 0 HE1 TYR A 26 -8.168 4.999 2.814 1.00 64.10 H new ATOM 0 HE2 TYR A 26 -10.907 6.634 0.011 1.00 21.32 H new ATOM 0 HH TYR A 26 -11.106 6.836 2.142 1.00 14.41 H new ATOM 336 N ALA A 27 -9.226 2.382 -0.563 1.00 22.00 N ATOM 337 CA ALA A 27 -10.066 1.915 0.527 1.00 51.32 C ATOM 338 C ALA A 27 -10.048 0.386 0.560 1.00 22.21 C ATOM 339 O ALA A 27 -10.444 -0.222 1.554 1.00 44.23 O ATOM 340 CB ALA A 27 -11.479 2.478 0.359 1.00 20.12 C ATOM 0 H ALA A 27 -9.725 2.870 -1.307 1.00 22.00 H new ATOM 0 HA ALA A 27 -9.685 2.270 1.485 1.00 51.32 H new ATOM 0 HB1 ALA A 27 -12.110 2.128 1.176 1.00 20.12 H new ATOM 0 HB2 ALA A 27 -11.440 3.567 0.371 1.00 20.12 H new ATOM 0 HB3 ALA A 27 -11.895 2.140 -0.590 1.00 20.12 H new ATOM 346 N LYS A 28 -9.584 -0.193 -0.538 1.00 12.31 N ATOM 347 CA LYS A 28 -9.509 -1.640 -0.647 1.00 10.31 C ATOM 348 C LYS A 28 -8.190 -2.125 -0.042 1.00 43.45 C ATOM 349 O LYS A 28 -8.177 -3.049 0.769 1.00 71.02 O ATOM 350 CB LYS A 28 -9.719 -2.079 -2.097 1.00 74.52 C ATOM 351 CG LYS A 28 -8.382 -2.221 -2.827 1.00 20.03 C ATOM 352 CD LYS A 28 -8.584 -2.767 -4.242 1.00 33.04 C ATOM 353 CE LYS A 28 -8.059 -4.199 -4.357 1.00 32.42 C ATOM 354 NZ LYS A 28 -9.110 -5.096 -4.888 1.00 54.43 N ATOM 0 H LYS A 28 -9.256 0.314 -1.360 1.00 12.31 H new ATOM 0 HA LYS A 28 -10.312 -2.107 -0.077 1.00 10.31 H new ATOM 0 HB2 LYS A 28 -10.252 -3.030 -2.119 1.00 74.52 H new ATOM 0 HB3 LYS A 28 -10.344 -1.351 -2.614 1.00 74.52 H new ATOM 0 HG2 LYS A 28 -7.885 -1.252 -2.875 1.00 20.03 H new ATOM 0 HG3 LYS A 28 -7.727 -2.888 -2.266 1.00 20.03 H new ATOM 0 HD2 LYS A 28 -9.643 -2.743 -4.497 1.00 33.04 H new ATOM 0 HD3 LYS A 28 -8.069 -2.128 -4.959 1.00 33.04 H new ATOM 0 HE2 LYS A 28 -7.188 -4.222 -5.012 1.00 32.42 H new ATOM 0 HE3 LYS A 28 -7.731 -4.552 -3.379 1.00 32.42 H new ATOM 0 HZ1 LYS A 28 -8.737 -6.064 -4.960 1.00 54.43 H new ATOM 0 HZ2 LYS A 28 -9.930 -5.088 -4.248 1.00 54.43 H new ATOM 0 HZ3 LYS A 28 -9.403 -4.768 -5.830 1.00 54.43 H new ATOM 367 N ARG A 29 -7.111 -1.479 -0.461 1.00 53.31 N ATOM 368 CA ARG A 29 -5.790 -1.832 0.029 1.00 61.42 C ATOM 369 C ARG A 29 -5.691 -1.563 1.532 1.00 73.13 C ATOM 370 O ARG A 29 -5.198 -2.401 2.285 1.00 3.10 O ATOM 371 CB ARG A 29 -4.702 -1.038 -0.697 1.00 54.11 C ATOM 372 CG ARG A 29 -3.423 -0.970 0.139 1.00 42.32 C ATOM 373 CD ARG A 29 -2.878 -2.371 0.423 1.00 32.00 C ATOM 374 NE ARG A 29 -1.470 -2.466 -0.021 1.00 25.14 N ATOM 375 CZ ARG A 29 -0.669 -3.525 0.223 1.00 30.44 C ATOM 376 NH1 ARG A 29 -1.133 -4.591 0.911 1.00 42.22 N ATOM 377 NH2 ARG A 29 0.574 -3.504 -0.220 1.00 41.11 N ATOM 0 H ARG A 29 -7.125 -0.713 -1.135 1.00 53.31 H new ATOM 0 HA ARG A 29 -5.639 -2.894 -0.164 1.00 61.42 H new ATOM 0 HB2 ARG A 29 -4.488 -1.504 -1.659 1.00 54.11 H new ATOM 0 HB3 ARG A 29 -5.060 -0.029 -0.904 1.00 54.11 H new ATOM 0 HG2 ARG A 29 -2.671 -0.383 -0.388 1.00 42.32 H new ATOM 0 HG3 ARG A 29 -3.626 -0.457 1.079 1.00 42.32 H new ATOM 0 HD2 ARG A 29 -2.947 -2.588 1.489 1.00 32.00 H new ATOM 0 HD3 ARG A 29 -3.482 -3.117 -0.094 1.00 32.00 H new ATOM 0 HE ARG A 29 -1.080 -1.682 -0.544 1.00 25.14 H new ATOM 0 HH11 ARG A 29 -2.095 -4.600 1.250 1.00 42.22 H new ATOM 0 HH12 ARG A 29 -0.521 -5.387 1.091 1.00 42.22 H new ATOM 0 HH21 ARG A 29 0.917 -2.695 -0.739 1.00 41.11 H new ATOM 0 HH22 ARG A 29 1.192 -4.296 -0.044 1.00 41.11 H new ATOM 390 N ILE A 30 -6.169 -0.391 1.923 1.00 2.20 N ATOM 391 CA ILE A 30 -6.141 -0.001 3.322 1.00 3.35 C ATOM 392 C ILE A 30 -6.385 -1.233 4.196 1.00 54.30 C ATOM 393 O ILE A 30 -5.527 -1.616 4.989 1.00 21.20 O ATOM 394 CB ILE A 30 -7.126 1.141 3.580 1.00 3.42 C ATOM 395 CG1 ILE A 30 -6.715 2.402 2.817 1.00 51.30 C ATOM 396 CG2 ILE A 30 -7.281 1.404 5.080 1.00 63.25 C ATOM 397 CD1 ILE A 30 -6.323 3.523 3.781 1.00 4.53 C ATOM 0 H ILE A 30 -6.578 0.301 1.295 1.00 2.20 H new ATOM 0 HA ILE A 30 -5.159 0.390 3.589 1.00 3.35 H new ATOM 0 HB ILE A 30 -8.104 0.840 3.203 1.00 3.42 H new ATOM 0 HG12 ILE A 30 -5.877 2.175 2.157 1.00 51.30 H new ATOM 0 HG13 ILE A 30 -7.538 2.733 2.184 1.00 51.30 H new ATOM 0 HG21 ILE A 30 -7.986 2.220 5.235 1.00 63.25 H new ATOM 0 HG22 ILE A 30 -7.653 0.505 5.571 1.00 63.25 H new ATOM 0 HG23 ILE A 30 -6.314 1.675 5.504 1.00 63.25 H new ATOM 0 HD11 ILE A 30 -6.035 4.408 3.213 1.00 4.53 H new ATOM 0 HD12 ILE A 30 -7.170 3.764 4.423 1.00 4.53 H new ATOM 0 HD13 ILE A 30 -5.484 3.198 4.395 1.00 4.53 H new ATOM 409 N ALA A 31 -7.561 -1.819 4.021 1.00 44.21 N ATOM 410 CA ALA A 31 -7.929 -3.000 4.783 1.00 11.43 C ATOM 411 C ALA A 31 -6.724 -3.938 4.877 1.00 40.52 C ATOM 412 O ALA A 31 -6.343 -4.357 5.968 1.00 24.14 O ATOM 413 CB ALA A 31 -9.141 -3.670 4.133 1.00 63.04 C ATOM 0 H ALA A 31 -8.271 -1.498 3.363 1.00 44.21 H new ATOM 0 HA ALA A 31 -8.214 -2.727 5.799 1.00 11.43 H new ATOM 0 HB1 ALA A 31 -9.417 -4.556 4.705 1.00 63.04 H new ATOM 0 HB2 ALA A 31 -9.978 -2.972 4.118 1.00 63.04 H new ATOM 0 HB3 ALA A 31 -8.892 -3.960 3.112 1.00 63.04 H new ATOM 419 N GLU A 32 -6.158 -4.239 3.717 1.00 21.05 N ATOM 420 CA GLU A 32 -5.004 -5.120 3.655 1.00 42.32 C ATOM 421 C GLU A 32 -3.935 -4.666 4.651 1.00 0.20 C ATOM 422 O GLU A 32 -3.523 -5.435 5.518 1.00 13.33 O ATOM 423 CB GLU A 32 -4.438 -5.182 2.235 1.00 73.15 C ATOM 424 CG GLU A 32 -5.529 -5.546 1.225 1.00 14.54 C ATOM 425 CD GLU A 32 -4.984 -6.474 0.139 1.00 62.32 C ATOM 426 OE1 GLU A 32 -4.092 -6.077 -0.626 1.00 72.10 O ATOM 427 OE2 GLU A 32 -5.518 -7.648 0.106 1.00 55.24 O ATOM 0 H GLU A 32 -6.477 -3.889 2.814 1.00 21.05 H new ATOM 0 HA GLU A 32 -5.324 -6.125 3.928 1.00 42.32 H new ATOM 0 HB2 GLU A 32 -4.000 -4.219 1.972 1.00 73.15 H new ATOM 0 HB3 GLU A 32 -3.636 -5.919 2.191 1.00 73.15 H new ATOM 0 HG2 GLU A 32 -6.359 -6.031 1.740 1.00 14.54 H new ATOM 0 HG3 GLU A 32 -5.924 -4.639 0.768 1.00 14.54 H new ATOM 435 N ALA A 33 -3.516 -3.419 4.494 1.00 52.34 N ATOM 436 CA ALA A 33 -2.503 -2.853 5.369 1.00 72.35 C ATOM 437 C ALA A 33 -2.916 -3.069 6.826 1.00 54.31 C ATOM 438 O ALA A 33 -2.177 -3.673 7.602 1.00 51.53 O ATOM 439 CB ALA A 33 -2.305 -1.374 5.031 1.00 21.22 C ATOM 0 H ALA A 33 -3.860 -2.784 3.773 1.00 52.34 H new ATOM 0 HA ALA A 33 -1.545 -3.352 5.221 1.00 72.35 H new ATOM 0 HB1 ALA A 33 -1.545 -0.949 5.687 1.00 21.22 H new ATOM 0 HB2 ALA A 33 -1.984 -1.278 3.994 1.00 21.22 H new ATOM 0 HB3 ALA A 33 -3.245 -0.840 5.171 1.00 21.22 H new ATOM 445 N MET A 34 -4.096 -2.563 7.154 1.00 72.01 N ATOM 446 CA MET A 34 -4.617 -2.692 8.504 1.00 24.54 C ATOM 447 C MET A 34 -4.830 -4.163 8.871 1.00 2.53 C ATOM 448 O MET A 34 -5.053 -4.489 10.036 1.00 72.21 O ATOM 449 CB MET A 34 -5.945 -1.941 8.614 1.00 3.11 C ATOM 450 CG MET A 34 -5.737 -0.434 8.448 1.00 33.13 C ATOM 451 SD MET A 34 -6.836 0.457 9.537 1.00 72.23 S ATOM 452 CE MET A 34 -6.212 2.115 9.318 1.00 74.12 C ATOM 0 H MET A 34 -4.706 -2.063 6.508 1.00 72.01 H new ATOM 0 HA MET A 34 -3.891 -2.265 9.196 1.00 24.54 H new ATOM 0 HB2 MET A 34 -6.636 -2.303 7.852 1.00 3.11 H new ATOM 0 HB3 MET A 34 -6.403 -2.144 9.582 1.00 3.11 H new ATOM 0 HG2 MET A 34 -4.702 -0.175 8.671 1.00 33.13 H new ATOM 0 HG3 MET A 34 -5.923 -0.145 7.414 1.00 33.13 H new ATOM 0 HE1 MET A 34 -6.790 2.805 9.932 1.00 74.12 H new ATOM 0 HE2 MET A 34 -5.165 2.152 9.618 1.00 74.12 H new ATOM 0 HE3 MET A 34 -6.299 2.401 8.270 1.00 74.12 H new ATOM 462 N ALA A 35 -4.753 -5.010 7.856 1.00 53.13 N ATOM 463 CA ALA A 35 -4.935 -6.437 8.057 1.00 71.43 C ATOM 464 C ALA A 35 -3.566 -7.113 8.150 1.00 22.44 C ATOM 465 O ALA A 35 -2.680 -6.845 7.340 1.00 74.12 O ATOM 466 CB ALA A 35 -5.791 -7.008 6.924 1.00 44.23 C ATOM 0 H ALA A 35 -4.567 -4.735 6.891 1.00 53.13 H new ATOM 0 HA ALA A 35 -5.462 -6.628 8.992 1.00 71.43 H new ATOM 0 HB1 ALA A 35 -5.927 -8.079 7.075 1.00 44.23 H new ATOM 0 HB2 ALA A 35 -6.763 -6.516 6.919 1.00 44.23 H new ATOM 0 HB3 ALA A 35 -5.293 -6.837 5.970 1.00 44.23 H new ATOM 472 N LYS A 36 -3.435 -7.977 9.146 1.00 23.15 N ATOM 473 CA LYS A 36 -2.188 -8.694 9.357 1.00 51.53 C ATOM 474 C LYS A 36 -2.144 -9.913 8.434 1.00 60.12 C ATOM 475 O LYS A 36 -2.900 -10.865 8.620 1.00 15.24 O ATOM 476 CB LYS A 36 -2.010 -9.036 10.837 1.00 0.22 C ATOM 477 CG LYS A 36 -0.567 -8.796 11.286 1.00 41.03 C ATOM 478 CD LYS A 36 0.339 -9.954 10.861 1.00 52.41 C ATOM 479 CE LYS A 36 1.006 -10.602 12.076 1.00 73.14 C ATOM 480 NZ LYS A 36 0.232 -11.782 12.524 1.00 52.54 N ATOM 0 H LYS A 36 -4.172 -8.197 9.816 1.00 23.15 H new ATOM 0 HA LYS A 36 -1.337 -8.065 9.095 1.00 51.53 H new ATOM 0 HB2 LYS A 36 -2.687 -8.429 11.438 1.00 0.22 H new ATOM 0 HB3 LYS A 36 -2.279 -10.078 11.008 1.00 0.22 H new ATOM 0 HG2 LYS A 36 -0.199 -7.865 10.856 1.00 41.03 H new ATOM 0 HG3 LYS A 36 -0.534 -8.682 12.370 1.00 41.03 H new ATOM 0 HD2 LYS A 36 -0.246 -10.699 10.322 1.00 52.41 H new ATOM 0 HD3 LYS A 36 1.102 -9.590 10.174 1.00 52.41 H new ATOM 0 HE2 LYS A 36 2.023 -10.901 11.823 1.00 73.14 H new ATOM 0 HE3 LYS A 36 1.079 -9.878 12.888 1.00 73.14 H new ATOM 0 HZ1 LYS A 36 0.698 -12.210 13.349 1.00 52.54 H new ATOM 0 HZ2 LYS A 36 -0.731 -11.487 12.784 1.00 52.54 H new ATOM 0 HZ3 LYS A 36 0.184 -12.479 11.753 1.00 52.54 H new ATOM 493 N GLY A 37 -1.250 -9.845 7.458 1.00 13.21 N ATOM 494 CA GLY A 37 -1.098 -10.932 6.506 1.00 45.42 C ATOM 495 C GLY A 37 -1.681 -10.552 5.143 1.00 64.40 C ATOM 496 O GLY A 37 -2.892 -10.621 4.941 1.00 20.43 O ATOM 0 H GLY A 37 -0.624 -9.054 7.306 1.00 13.21 H new ATOM 0 HA2 GLY A 37 -0.042 -11.180 6.398 1.00 45.42 H new ATOM 0 HA3 GLY A 37 -1.598 -11.824 6.884 1.00 45.42 H new TER 500 GLY A 37