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 Set 1.1: A 5 THR OG1 : rot 180:sc= 0.222 USER MOD Set 1.2: A 10 THR OG1 : rot -61:sc= 0.233 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 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc=-0.00823 X(o=-0.0082,f=0.0057) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 168:sc= 1.26 (180deg=1.12) USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0474) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -4.069 6.028 -9.847 1.00 33.20 N ATOM 2 CA ARG A 1 -2.718 5.670 -10.245 1.00 13.41 C ATOM 3 C ARG A 1 -2.684 5.291 -11.727 1.00 33.23 C ATOM 4 O ARG A 1 -1.938 5.882 -12.506 1.00 13.23 O ATOM 5 CB ARG A 1 -2.191 4.499 -9.413 1.00 42.43 C ATOM 6 CG ARG A 1 -0.663 4.526 -9.336 1.00 60.14 C ATOM 7 CD ARG A 1 -0.172 3.982 -7.993 1.00 51.21 C ATOM 8 NE ARG A 1 1.169 4.528 -7.686 1.00 32.13 N ATOM 9 CZ ARG A 1 1.394 5.792 -7.270 1.00 2.33 C ATOM 10 NH1 ARG A 1 0.367 6.654 -7.108 1.00 23.43 N ATOM 11 NH2 ARG A 1 2.634 6.174 -7.024 1.00 33.21 N ATOM 0 H1 ARG A 1 -4.078 6.283 -8.839 1.00 33.20 H new ATOM 0 H2 ARG A 1 -4.394 6.838 -10.412 1.00 33.20 H new ATOM 0 H3 ARG A 1 -4.703 5.219 -10.005 1.00 33.20 H new ATOM 0 HA ARG A 1 -2.081 6.538 -10.074 1.00 13.41 H new ATOM 0 HB2 ARG A 1 -2.610 4.544 -8.408 1.00 42.43 H new ATOM 0 HB3 ARG A 1 -2.520 3.558 -9.854 1.00 42.43 H new ATOM 0 HG2 ARG A 1 -0.244 3.932 -10.148 1.00 60.14 H new ATOM 0 HG3 ARG A 1 -0.306 5.547 -9.471 1.00 60.14 H new ATOM 0 HD2 ARG A 1 -0.873 4.252 -7.203 1.00 51.21 H new ATOM 0 HD3 ARG A 1 -0.132 2.893 -8.025 1.00 51.21 H new ATOM 0 HE ARG A 1 1.973 3.910 -7.796 1.00 32.13 H new ATOM 0 HH11 ARG A 1 -0.588 6.352 -7.300 1.00 23.43 H new ATOM 0 HH12 ARG A 1 0.546 7.607 -6.793 1.00 23.43 H new ATOM 0 HH21 ARG A 1 3.404 5.517 -7.149 1.00 33.21 H new ATOM 0 HH22 ARG A 1 2.821 7.126 -6.709 1.00 33.21 H new ATOM 24 N GLY A 2 -3.501 4.306 -12.071 1.00 51.35 N ATOM 25 CA GLY A 2 -3.574 3.841 -13.446 1.00 61.20 C ATOM 26 C GLY A 2 -3.457 2.317 -13.516 1.00 30.22 C ATOM 27 O GLY A 2 -3.154 1.668 -12.516 1.00 32.50 O ATOM 0 H GLY A 2 -4.118 3.817 -11.422 1.00 51.35 H new ATOM 0 HA2 GLY A 2 -4.517 4.158 -13.891 1.00 61.20 H new ATOM 0 HA3 GLY A 2 -2.776 4.298 -14.031 1.00 61.20 H new ATOM 31 N LYS A 3 -3.703 1.790 -14.706 1.00 53.34 N ATOM 32 CA LYS A 3 -3.629 0.355 -14.920 1.00 35.13 C ATOM 33 C LYS A 3 -2.390 -0.198 -14.214 1.00 23.10 C ATOM 34 O LYS A 3 -1.387 0.500 -14.075 1.00 42.31 O ATOM 35 CB LYS A 3 -3.682 0.032 -16.414 1.00 62.13 C ATOM 36 CG LYS A 3 -2.375 0.424 -17.106 1.00 5.10 C ATOM 37 CD LYS A 3 -2.572 1.654 -17.995 1.00 20.23 C ATOM 38 CE LYS A 3 -1.949 2.897 -17.356 1.00 55.15 C ATOM 39 NZ LYS A 3 -2.546 4.126 -17.926 1.00 35.03 N ATOM 0 H LYS A 3 -3.954 2.332 -15.533 1.00 53.34 H new ATOM 0 HA LYS A 3 -4.494 -0.141 -14.480 1.00 35.13 H new ATOM 0 HB2 LYS A 3 -3.866 -1.033 -16.553 1.00 62.13 H new ATOM 0 HB3 LYS A 3 -4.515 0.562 -16.875 1.00 62.13 H new ATOM 0 HG2 LYS A 3 -1.611 0.631 -16.357 1.00 5.10 H new ATOM 0 HG3 LYS A 3 -2.014 -0.410 -17.708 1.00 5.10 H new ATOM 0 HD2 LYS A 3 -2.121 1.478 -18.971 1.00 20.23 H new ATOM 0 HD3 LYS A 3 -3.636 1.821 -18.161 1.00 20.23 H new ATOM 0 HE2 LYS A 3 -2.105 2.876 -16.277 1.00 55.15 H new ATOM 0 HE3 LYS A 3 -0.872 2.898 -17.522 1.00 55.15 H new ATOM 0 HZ1 LYS A 3 -2.113 4.961 -17.482 1.00 35.03 H new ATOM 0 HZ2 LYS A 3 -2.375 4.151 -18.952 1.00 35.03 H new ATOM 0 HZ3 LYS A 3 -3.570 4.130 -17.745 1.00 35.03 H new ATOM 52 N TRP A 4 -2.499 -1.447 -13.787 1.00 31.52 N ATOM 53 CA TRP A 4 -1.399 -2.102 -13.099 1.00 34.21 C ATOM 54 C TRP A 4 -1.334 -3.552 -13.584 1.00 14.11 C ATOM 55 O TRP A 4 -2.285 -4.312 -13.408 1.00 71.30 O ATOM 56 CB TRP A 4 -1.555 -1.986 -11.581 1.00 71.04 C ATOM 57 CG TRP A 4 -2.890 -2.512 -11.051 1.00 32.14 C ATOM 58 CD1 TRP A 4 -4.028 -1.831 -10.859 1.00 1.33 C ATOM 59 CD2 TRP A 4 -3.182 -3.867 -10.649 1.00 62.31 C ATOM 60 NE1 TRP A 4 -5.027 -2.644 -10.365 1.00 15.03 N ATOM 61 CE2 TRP A 4 -4.497 -3.922 -10.233 1.00 45.14 C ATOM 62 CE3 TRP A 4 -2.362 -5.009 -10.638 1.00 22.43 C ATOM 63 CZ2 TRP A 4 -5.108 -5.095 -9.776 1.00 22.34 C ATOM 64 CZ3 TRP A 4 -2.988 -6.174 -10.177 1.00 64.14 C ATOM 65 CH2 TRP A 4 -4.310 -6.246 -9.755 1.00 40.43 C ATOM 0 H TRP A 4 -3.332 -2.023 -13.904 1.00 31.52 H new ATOM 0 HA TRP A 4 -0.453 -1.614 -13.333 1.00 34.21 H new ATOM 0 HB2 TRP A 4 -0.744 -2.533 -11.100 1.00 71.04 H new ATOM 0 HB3 TRP A 4 -1.449 -0.940 -11.294 1.00 71.04 H new ATOM 0 HD1 TRP A 4 -4.148 -0.778 -11.065 1.00 1.33 H new ATOM 0 HE1 TRP A 4 -5.980 -2.359 -10.138 1.00 15.03 H new ATOM 0 HE3 TRP A 4 -1.331 -4.989 -10.960 1.00 22.43 H new ATOM 0 HZ2 TRP A 4 -6.140 -5.112 -9.457 1.00 22.34 H new ATOM 0 HZ3 TRP A 4 -2.402 -7.081 -10.147 1.00 64.14 H new ATOM 0 HH2 TRP A 4 -4.720 -7.185 -9.413 1.00 40.43 H new ATOM 76 N THR A 5 -0.203 -3.891 -14.185 1.00 35.00 N ATOM 77 CA THR A 5 -0.002 -5.236 -14.697 1.00 20.03 C ATOM 78 C THR A 5 0.128 -6.232 -13.542 1.00 44.34 C ATOM 79 O THR A 5 0.566 -5.869 -12.452 1.00 22.24 O ATOM 80 CB THR A 5 1.218 -5.213 -15.620 1.00 12.21 C ATOM 81 OG1 THR A 5 0.781 -4.469 -16.754 1.00 73.21 O ATOM 82 CG2 THR A 5 1.550 -6.595 -16.186 1.00 41.10 C ATOM 0 H THR A 5 0.584 -3.258 -14.329 1.00 35.00 H new ATOM 0 HA THR A 5 -0.861 -5.571 -15.279 1.00 20.03 H new ATOM 0 HB THR A 5 2.079 -4.828 -15.074 1.00 12.21 H new ATOM 0 HG1 THR A 5 1.512 -4.404 -17.404 1.00 73.21 H new ATOM 0 HG21 THR A 5 2.423 -6.523 -16.834 1.00 41.10 H new ATOM 0 HG22 THR A 5 1.762 -7.282 -15.367 1.00 41.10 H new ATOM 0 HG23 THR A 5 0.702 -6.966 -16.761 1.00 41.10 H new ATOM 90 N TYR A 6 -0.260 -7.467 -13.822 1.00 64.24 N ATOM 91 CA TYR A 6 -0.192 -8.518 -12.821 1.00 45.01 C ATOM 92 C TYR A 6 0.691 -9.674 -13.298 1.00 14.40 C ATOM 93 O TYR A 6 1.722 -9.963 -12.693 1.00 51.41 O ATOM 94 CB TYR A 6 -1.624 -9.025 -12.644 1.00 71.10 C ATOM 95 CG TYR A 6 -1.817 -9.935 -11.429 1.00 5.51 C ATOM 96 CD1 TYR A 6 -1.426 -9.505 -10.177 1.00 33.03 C ATOM 97 CD2 TYR A 6 -2.380 -11.185 -11.585 1.00 15.42 C ATOM 98 CE1 TYR A 6 -1.607 -10.361 -9.033 1.00 74.01 C ATOM 99 CE2 TYR A 6 -2.562 -12.041 -10.441 1.00 44.41 C ATOM 100 CZ TYR A 6 -2.166 -11.587 -9.222 1.00 11.43 C ATOM 101 OH TYR A 6 -2.337 -12.395 -8.142 1.00 31.05 O ATOM 0 H TYR A 6 -0.623 -7.764 -14.728 1.00 64.24 H new ATOM 0 HA TYR A 6 0.234 -8.137 -11.893 1.00 45.01 H new ATOM 0 HB2 TYR A 6 -2.293 -8.169 -12.554 1.00 71.10 H new ATOM 0 HB3 TYR A 6 -1.920 -9.567 -13.542 1.00 71.10 H new ATOM 0 HD1 TYR A 6 -0.984 -8.527 -10.055 1.00 33.03 H new ATOM 0 HD2 TYR A 6 -2.684 -11.522 -12.565 1.00 15.42 H new ATOM 0 HE1 TYR A 6 -1.306 -10.037 -8.048 1.00 74.01 H new ATOM 0 HE2 TYR A 6 -3.003 -13.021 -10.549 1.00 44.41 H new ATOM 0 HH TYR A 6 -2.748 -13.238 -8.426 1.00 31.05 H new ATOM 111 N ASN A 7 0.253 -10.303 -14.378 1.00 73.33 N ATOM 112 CA ASN A 7 0.990 -11.421 -14.943 1.00 54.03 C ATOM 113 C ASN A 7 1.068 -11.259 -16.463 1.00 2.54 C ATOM 114 O ASN A 7 0.611 -12.124 -17.207 1.00 64.25 O ATOM 115 CB ASN A 7 0.290 -12.749 -14.645 1.00 44.33 C ATOM 116 CG ASN A 7 1.309 -13.875 -14.459 1.00 71.11 C ATOM 117 OD1 ASN A 7 1.958 -14.321 -15.391 1.00 53.23 O ATOM 118 ND2 ASN A 7 1.412 -14.309 -13.206 1.00 64.13 N ATOM 0 H ASN A 7 -0.603 -10.060 -14.877 1.00 73.33 H new ATOM 0 HA ASN A 7 1.985 -11.429 -14.497 1.00 54.03 H new ATOM 0 HB2 ASN A 7 -0.317 -12.650 -13.745 1.00 44.33 H new ATOM 0 HB3 ASN A 7 -0.388 -12.998 -15.461 1.00 44.33 H new ATOM 0 HD21 ASN A 7 2.064 -15.059 -12.978 1.00 64.13 H new ATOM 0 HD22 ASN A 7 0.839 -13.892 -12.473 1.00 64.13 H new ATOM 125 N GLY A 8 1.651 -10.143 -16.877 1.00 72.11 N ATOM 126 CA GLY A 8 1.795 -9.856 -18.294 1.00 61.02 C ATOM 127 C GLY A 8 0.606 -9.046 -18.813 1.00 55.24 C ATOM 128 O GLY A 8 0.772 -7.918 -19.276 1.00 23.24 O ATOM 0 H GLY A 8 2.029 -9.427 -16.256 1.00 72.11 H new ATOM 0 HA2 GLY A 8 2.719 -9.303 -18.465 1.00 61.02 H new ATOM 0 HA3 GLY A 8 1.875 -10.789 -18.851 1.00 61.02 H new ATOM 132 N ILE A 9 -0.569 -9.652 -18.720 1.00 23.42 N ATOM 133 CA ILE A 9 -1.786 -9.001 -19.174 1.00 64.43 C ATOM 134 C ILE A 9 -1.976 -7.692 -18.406 1.00 42.23 C ATOM 135 O ILE A 9 -1.694 -7.623 -17.211 1.00 40.50 O ATOM 136 CB ILE A 9 -2.976 -9.956 -19.066 1.00 74.13 C ATOM 137 CG1 ILE A 9 -3.064 -10.567 -17.666 1.00 52.12 C ATOM 138 CG2 ILE A 9 -2.920 -11.028 -20.157 1.00 14.12 C ATOM 139 CD1 ILE A 9 -4.297 -10.052 -16.920 1.00 24.12 C ATOM 0 H ILE A 9 -0.704 -10.588 -18.337 1.00 23.42 H new ATOM 0 HA ILE A 9 -1.709 -8.743 -20.230 1.00 64.43 H new ATOM 0 HB ILE A 9 -3.889 -9.383 -19.225 1.00 74.13 H new ATOM 0 HG12 ILE A 9 -3.108 -11.654 -17.741 1.00 52.12 H new ATOM 0 HG13 ILE A 9 -2.164 -10.323 -17.101 1.00 52.12 H new ATOM 0 HG21 ILE A 9 -3.777 -11.694 -20.057 1.00 14.12 H new ATOM 0 HG22 ILE A 9 -2.943 -10.551 -21.137 1.00 14.12 H new ATOM 0 HG23 ILE A 9 -2.000 -11.604 -20.055 1.00 14.12 H new ATOM 0 HD11 ILE A 9 -4.336 -10.502 -15.928 1.00 24.12 H new ATOM 0 HD12 ILE A 9 -4.238 -8.968 -16.825 1.00 24.12 H new ATOM 0 HD13 ILE A 9 -5.196 -10.319 -17.475 1.00 24.12 H new ATOM 151 N THR A 10 -2.452 -6.686 -19.125 1.00 15.35 N ATOM 152 CA THR A 10 -2.684 -5.382 -18.526 1.00 25.24 C ATOM 153 C THR A 10 -4.173 -5.183 -18.240 1.00 54.02 C ATOM 154 O THR A 10 -5.014 -5.896 -18.786 1.00 13.23 O ATOM 155 CB THR A 10 -2.097 -4.322 -19.460 1.00 3.04 C ATOM 156 OG1 THR A 10 -0.701 -4.607 -19.475 1.00 63.30 O ATOM 157 CG2 THR A 10 -2.182 -2.912 -18.872 1.00 54.21 C ATOM 0 H THR A 10 -2.683 -6.747 -20.117 1.00 15.35 H new ATOM 0 HA THR A 10 -2.186 -5.296 -17.560 1.00 25.24 H new ATOM 0 HB THR A 10 -2.621 -4.350 -20.415 1.00 3.04 H new ATOM 0 HG1 THR A 10 -0.339 -4.516 -18.569 1.00 63.30 H new ATOM 0 HG21 THR A 10 -1.752 -2.198 -19.575 1.00 54.21 H new ATOM 0 HG22 THR A 10 -3.226 -2.657 -18.689 1.00 54.21 H new ATOM 0 HG23 THR A 10 -1.629 -2.875 -17.933 1.00 54.21 H new ATOM 165 N TYR A 11 -4.455 -4.210 -17.386 1.00 25.33 N ATOM 166 CA TYR A 11 -5.828 -3.908 -17.021 1.00 73.31 C ATOM 167 C TYR A 11 -6.254 -2.545 -17.570 1.00 11.12 C ATOM 168 O TYR A 11 -5.411 -1.732 -17.945 1.00 62.03 O ATOM 169 CB TYR A 11 -5.858 -3.861 -15.492 1.00 73.42 C ATOM 170 CG TYR A 11 -5.837 -5.239 -14.827 1.00 3.11 C ATOM 171 CD1 TYR A 11 -5.706 -6.376 -15.598 1.00 43.22 C ATOM 172 CD2 TYR A 11 -5.948 -5.345 -13.455 1.00 52.32 C ATOM 173 CE1 TYR A 11 -5.685 -7.672 -14.972 1.00 34.31 C ATOM 174 CE2 TYR A 11 -5.928 -6.641 -12.829 1.00 61.20 C ATOM 175 CZ TYR A 11 -5.798 -7.741 -13.618 1.00 65.03 C ATOM 176 OH TYR A 11 -5.778 -8.966 -13.027 1.00 13.52 O ATOM 0 H TYR A 11 -3.755 -3.620 -16.936 1.00 25.33 H new ATOM 0 HA TYR A 11 -6.507 -4.657 -17.429 1.00 73.31 H new ATOM 0 HB2 TYR A 11 -5.002 -3.286 -15.139 1.00 73.42 H new ATOM 0 HB3 TYR A 11 -6.754 -3.328 -15.172 1.00 73.42 H new ATOM 0 HD1 TYR A 11 -5.619 -6.293 -16.671 1.00 43.22 H new ATOM 0 HD2 TYR A 11 -6.050 -4.455 -12.851 1.00 52.32 H new ATOM 0 HE1 TYR A 11 -5.582 -8.569 -15.564 1.00 34.31 H new ATOM 0 HE2 TYR A 11 -6.014 -6.738 -11.757 1.00 61.20 H new ATOM 0 HH TYR A 11 -5.867 -8.862 -12.057 1.00 13.52 H new ATOM 186 N GLU A 12 -7.562 -2.337 -17.599 1.00 12.33 N ATOM 187 CA GLU A 12 -8.110 -1.086 -18.095 1.00 52.12 C ATOM 188 C GLU A 12 -9.559 -0.920 -17.633 1.00 32.44 C ATOM 189 O GLU A 12 -10.436 -1.679 -18.043 1.00 21.43 O ATOM 190 CB GLU A 12 -8.009 -1.010 -19.620 1.00 14.11 C ATOM 191 CG GLU A 12 -6.737 -0.276 -20.049 1.00 74.25 C ATOM 192 CD GLU A 12 -7.074 0.969 -20.872 1.00 11.54 C ATOM 193 OE1 GLU A 12 -7.918 0.905 -21.778 1.00 62.41 O ATOM 194 OE2 GLU A 12 -6.425 2.034 -20.540 1.00 20.32 O ATOM 0 H GLU A 12 -8.258 -3.014 -17.287 1.00 12.33 H new ATOM 0 HA GLU A 12 -7.522 -0.266 -17.683 1.00 52.12 H new ATOM 0 HB2 GLU A 12 -8.011 -2.016 -20.039 1.00 14.11 H new ATOM 0 HB3 GLU A 12 -8.883 -0.496 -20.021 1.00 14.11 H new ATOM 0 HG2 GLU A 12 -6.163 0.011 -19.168 1.00 74.25 H new ATOM 0 HG3 GLU A 12 -6.107 -0.945 -20.636 1.00 74.25 H new ATOM 202 N GLY A 13 -9.766 0.077 -16.785 1.00 20.51 N ATOM 203 CA GLY A 13 -11.094 0.351 -16.262 1.00 44.31 C ATOM 204 C GLY A 13 -11.022 0.847 -14.816 1.00 40.14 C ATOM 205 O GLY A 13 -11.331 2.004 -14.537 1.00 52.43 O ATOM 0 H GLY A 13 -9.037 0.705 -16.447 1.00 20.51 H new ATOM 0 HA2 GLY A 13 -11.586 1.100 -16.883 1.00 44.31 H new ATOM 0 HA3 GLY A 13 -11.702 -0.553 -16.311 1.00 44.31 H new ATOM 209 N GLY A 14 -10.612 -0.054 -13.935 1.00 54.43 N ATOM 210 CA GLY A 14 -10.496 0.278 -12.525 1.00 72.23 C ATOM 211 C GLY A 14 -9.915 1.681 -12.338 1.00 31.32 C ATOM 212 O GLY A 14 -8.762 1.930 -12.684 1.00 44.14 O ATOM 0 H GLY A 14 -10.356 -1.013 -14.170 1.00 54.43 H new ATOM 0 HA2 GLY A 14 -11.477 0.221 -12.052 1.00 72.23 H new ATOM 0 HA3 GLY A 14 -9.859 -0.453 -12.027 1.00 72.23 H new ATOM 216 N GLY A 15 -10.741 2.560 -11.790 1.00 2.12 N ATOM 217 CA GLY A 15 -10.323 3.931 -11.552 1.00 53.51 C ATOM 218 C GLY A 15 -10.969 4.884 -12.561 1.00 25.20 C ATOM 219 O GLY A 15 -10.324 5.309 -13.518 1.00 51.14 O ATOM 0 H GLY A 15 -11.697 2.350 -11.504 1.00 2.12 H new ATOM 0 HA2 GLY A 15 -10.596 4.228 -10.539 1.00 53.51 H new ATOM 0 HA3 GLY A 15 -9.238 4.002 -11.623 1.00 53.51 H new ATOM 223 N GLY A 16 -12.233 5.191 -12.312 1.00 31.42 N ATOM 224 CA GLY A 16 -12.973 6.085 -13.186 1.00 64.25 C ATOM 225 C GLY A 16 -12.318 7.467 -13.237 1.00 74.05 C ATOM 226 O GLY A 16 -11.741 7.847 -14.255 1.00 12.31 O ATOM 0 H GLY A 16 -12.764 4.836 -11.517 1.00 31.42 H new ATOM 0 HA2 GLY A 16 -13.019 5.663 -14.190 1.00 64.25 H new ATOM 0 HA3 GLY A 16 -14.000 6.178 -12.832 1.00 64.25 H new ATOM 230 N GLY A 17 -12.431 8.181 -12.127 1.00 23.10 N ATOM 231 CA GLY A 17 -11.857 9.513 -12.032 1.00 73.43 C ATOM 232 C GLY A 17 -12.732 10.539 -12.755 1.00 72.10 C ATOM 233 O GLY A 17 -12.662 10.669 -13.976 1.00 55.22 O ATOM 0 H GLY A 17 -12.911 7.863 -11.285 1.00 23.10 H new ATOM 0 HA2 GLY A 17 -11.751 9.794 -10.984 1.00 73.43 H new ATOM 0 HA3 GLY A 17 -10.856 9.514 -12.465 1.00 73.43 H new ATOM 237 N GLY A 18 -13.536 11.241 -11.970 1.00 42.41 N ATOM 238 CA GLY A 18 -14.423 12.252 -12.520 1.00 12.11 C ATOM 239 C GLY A 18 -14.317 13.561 -11.735 1.00 5.10 C ATOM 240 O GLY A 18 -13.881 14.578 -12.273 1.00 55.11 O ATOM 0 H GLY A 18 -13.592 11.130 -10.958 1.00 42.41 H new ATOM 0 HA2 GLY A 18 -14.173 12.430 -13.566 1.00 12.11 H new ATOM 0 HA3 GLY A 18 -15.451 11.891 -12.495 1.00 12.11 H new ATOM 244 N GLY A 19 -14.721 13.493 -10.475 1.00 51.22 N ATOM 245 CA GLY A 19 -14.676 14.660 -9.611 1.00 14.32 C ATOM 246 C GLY A 19 -13.477 14.596 -8.664 1.00 25.43 C ATOM 247 O GLY A 19 -12.402 14.137 -9.048 1.00 43.51 O ATOM 0 H GLY A 19 -15.081 12.648 -10.032 1.00 51.22 H new ATOM 0 HA2 GLY A 19 -14.617 15.564 -10.218 1.00 14.32 H new ATOM 0 HA3 GLY A 19 -15.598 14.724 -9.033 1.00 14.32 H new ATOM 251 N GLY A 20 -13.700 15.061 -7.444 1.00 15.24 N ATOM 252 CA GLY A 20 -12.651 15.062 -6.439 1.00 31.04 C ATOM 253 C GLY A 20 -12.176 13.638 -6.140 1.00 54.33 C ATOM 254 O GLY A 20 -12.869 12.671 -6.453 1.00 64.05 O ATOM 0 H GLY A 20 -14.593 15.440 -7.128 1.00 15.24 H new ATOM 0 HA2 GLY A 20 -11.811 15.664 -6.786 1.00 31.04 H new ATOM 0 HA3 GLY A 20 -13.020 15.526 -5.524 1.00 31.04 H new ATOM 258 N SER A 21 -10.999 13.555 -5.538 1.00 51.23 N ATOM 259 CA SER A 21 -10.424 12.266 -5.194 1.00 62.02 C ATOM 260 C SER A 21 -10.766 11.910 -3.746 1.00 41.10 C ATOM 261 O SER A 21 -9.931 11.371 -3.022 1.00 3.14 O ATOM 262 CB SER A 21 -8.907 12.268 -5.396 1.00 53.12 C ATOM 263 OG SER A 21 -8.547 12.603 -6.734 1.00 13.43 O ATOM 0 H SER A 21 -10.428 14.360 -5.280 1.00 51.23 H new ATOM 0 HA SER A 21 -10.851 11.513 -5.857 1.00 62.02 H new ATOM 0 HB2 SER A 21 -8.451 12.980 -4.709 1.00 53.12 H new ATOM 0 HB3 SER A 21 -8.507 11.285 -5.148 1.00 53.12 H new ATOM 0 HG SER A 21 -7.571 12.595 -6.822 1.00 13.43 H new ATOM 269 N ALA A 22 -11.996 12.226 -3.367 1.00 44.14 N ATOM 270 CA ALA A 22 -12.459 11.946 -2.019 1.00 5.53 C ATOM 271 C ALA A 22 -12.466 10.434 -1.790 1.00 73.43 C ATOM 272 O ALA A 22 -11.680 9.918 -0.997 1.00 60.03 O ATOM 273 CB ALA A 22 -13.838 12.574 -1.812 1.00 13.41 C ATOM 0 H ALA A 22 -12.686 12.673 -3.971 1.00 44.14 H new ATOM 0 HA ALA A 22 -11.787 12.387 -1.283 1.00 5.53 H new ATOM 0 HB1 ALA A 22 -14.185 12.364 -0.800 1.00 13.41 H new ATOM 0 HB2 ALA A 22 -13.772 13.652 -1.956 1.00 13.41 H new ATOM 0 HB3 ALA A 22 -14.541 12.154 -2.532 1.00 13.41 H new ATOM 279 N ALA A 23 -13.364 9.765 -2.499 1.00 64.14 N ATOM 280 CA ALA A 23 -13.484 8.321 -2.384 1.00 12.41 C ATOM 281 C ALA A 23 -12.151 7.671 -2.760 1.00 54.01 C ATOM 282 O ALA A 23 -11.874 6.540 -2.363 1.00 14.30 O ATOM 283 CB ALA A 23 -14.639 7.834 -3.261 1.00 31.41 C ATOM 0 H ALA A 23 -14.015 10.196 -3.155 1.00 64.14 H new ATOM 0 HA ALA A 23 -13.711 8.035 -1.357 1.00 12.41 H new ATOM 0 HB1 ALA A 23 -14.729 6.751 -3.175 1.00 31.41 H new ATOM 0 HB2 ALA A 23 -15.567 8.303 -2.934 1.00 31.41 H new ATOM 0 HB3 ALA A 23 -14.445 8.101 -4.300 1.00 31.41 H new ATOM 289 N GLU A 24 -11.361 8.413 -3.522 1.00 13.43 N ATOM 290 CA GLU A 24 -10.064 7.923 -3.956 1.00 12.10 C ATOM 291 C GLU A 24 -8.982 8.324 -2.951 1.00 61.35 C ATOM 292 O GLU A 24 -7.843 8.588 -3.333 1.00 62.03 O ATOM 293 CB GLU A 24 -9.727 8.433 -5.358 1.00 44.43 C ATOM 294 CG GLU A 24 -10.502 7.658 -6.425 1.00 64.33 C ATOM 295 CD GLU A 24 -9.550 6.879 -7.336 1.00 75.31 C ATOM 296 OE1 GLU A 24 -9.266 7.321 -8.459 1.00 53.01 O ATOM 297 OE2 GLU A 24 -9.100 5.777 -6.839 1.00 74.42 O ATOM 0 H GLU A 24 -11.594 9.350 -3.850 1.00 13.43 H new ATOM 0 HA GLU A 24 -10.104 6.835 -4.001 1.00 12.10 H new ATOM 0 HB2 GLU A 24 -9.965 9.494 -5.430 1.00 44.43 H new ATOM 0 HB3 GLU A 24 -8.656 8.334 -5.537 1.00 44.43 H new ATOM 0 HG2 GLU A 24 -11.198 6.969 -5.946 1.00 64.33 H new ATOM 0 HG3 GLU A 24 -11.098 8.349 -7.021 1.00 64.33 H new ATOM 305 N ALA A 25 -9.376 8.356 -1.687 1.00 2.11 N ATOM 306 CA ALA A 25 -8.453 8.720 -0.625 1.00 35.13 C ATOM 307 C ALA A 25 -8.513 7.664 0.481 1.00 73.13 C ATOM 308 O ALA A 25 -7.479 7.224 0.981 1.00 50.32 O ATOM 309 CB ALA A 25 -8.793 10.121 -0.112 1.00 25.13 C ATOM 0 H ALA A 25 -10.321 8.136 -1.374 1.00 2.11 H new ATOM 0 HA ALA A 25 -7.429 8.748 -0.999 1.00 35.13 H new ATOM 0 HB1 ALA A 25 -8.101 10.395 0.685 1.00 25.13 H new ATOM 0 HB2 ALA A 25 -8.708 10.838 -0.929 1.00 25.13 H new ATOM 0 HB3 ALA A 25 -9.812 10.130 0.274 1.00 25.13 H new ATOM 315 N TYR A 26 -9.735 7.287 0.830 1.00 44.23 N ATOM 316 CA TYR A 26 -9.943 6.291 1.867 1.00 61.02 C ATOM 317 C TYR A 26 -10.231 4.917 1.258 1.00 42.23 C ATOM 318 O TYR A 26 -9.726 3.903 1.737 1.00 1.44 O ATOM 319 CB TYR A 26 -11.170 6.753 2.655 1.00 3.33 C ATOM 320 CG TYR A 26 -12.391 5.845 2.495 1.00 4.25 C ATOM 321 CD1 TYR A 26 -12.346 4.543 2.949 1.00 21.40 C ATOM 322 CD2 TYR A 26 -13.537 6.329 1.898 1.00 62.34 C ATOM 323 CE1 TYR A 26 -13.495 3.688 2.799 1.00 60.15 C ATOM 324 CE2 TYR A 26 -14.686 5.474 1.747 1.00 1.02 C ATOM 325 CZ TYR A 26 -14.608 4.196 2.205 1.00 73.20 C ATOM 326 OH TYR A 26 -15.694 3.389 2.063 1.00 64.41 O ATOM 0 H TYR A 26 -10.591 7.654 0.413 1.00 44.23 H new ATOM 0 HA TYR A 26 -9.055 6.197 2.492 1.00 61.02 H new ATOM 0 HB2 TYR A 26 -10.909 6.811 3.712 1.00 3.33 H new ATOM 0 HB3 TYR A 26 -11.435 7.761 2.336 1.00 3.33 H new ATOM 0 HD1 TYR A 26 -11.449 4.165 3.417 1.00 21.40 H new ATOM 0 HD2 TYR A 26 -13.572 7.349 1.544 1.00 62.34 H new ATOM 0 HE1 TYR A 26 -13.473 2.667 3.150 1.00 60.15 H new ATOM 0 HE2 TYR A 26 -15.589 5.839 1.281 1.00 1.02 H new ATOM 0 HH TYR A 26 -16.415 3.886 1.623 1.00 64.41 H new ATOM 336 N ALA A 27 -11.041 4.928 0.210 1.00 54.23 N ATOM 337 CA ALA A 27 -11.403 3.696 -0.470 1.00 25.20 C ATOM 338 C ALA A 27 -10.239 3.248 -1.358 1.00 15.24 C ATOM 339 O ALA A 27 -10.288 2.174 -1.956 1.00 2.53 O ATOM 340 CB ALA A 27 -12.693 3.910 -1.264 1.00 20.43 C ATOM 0 H ALA A 27 -11.457 5.771 -0.185 1.00 54.23 H new ATOM 0 HA ALA A 27 -11.593 2.901 0.251 1.00 25.20 H new ATOM 0 HB1 ALA A 27 -12.964 2.986 -1.774 1.00 20.43 H new ATOM 0 HB2 ALA A 27 -13.495 4.198 -0.584 1.00 20.43 H new ATOM 0 HB3 ALA A 27 -12.540 4.699 -2.000 1.00 20.43 H new ATOM 346 N LYS A 28 -9.221 4.094 -1.415 1.00 53.11 N ATOM 347 CA LYS A 28 -8.048 3.799 -2.220 1.00 2.14 C ATOM 348 C LYS A 28 -7.047 3.003 -1.381 1.00 23.54 C ATOM 349 O LYS A 28 -6.249 2.238 -1.920 1.00 61.53 O ATOM 350 CB LYS A 28 -7.468 5.085 -2.813 1.00 23.25 C ATOM 351 CG LYS A 28 -6.751 5.908 -1.741 1.00 1.25 C ATOM 352 CD LYS A 28 -5.413 6.438 -2.260 1.00 10.51 C ATOM 353 CE LYS A 28 -5.054 7.768 -1.593 1.00 53.14 C ATOM 354 NZ LYS A 28 -5.267 8.892 -2.532 1.00 41.42 N ATOM 0 H LYS A 28 -9.184 4.983 -0.917 1.00 53.11 H new ATOM 0 HA LYS A 28 -8.318 3.176 -3.072 1.00 2.14 H new ATOM 0 HB2 LYS A 28 -6.771 4.838 -3.614 1.00 23.25 H new ATOM 0 HB3 LYS A 28 -8.268 5.678 -3.257 1.00 23.25 H new ATOM 0 HG2 LYS A 28 -7.382 6.742 -1.435 1.00 1.25 H new ATOM 0 HG3 LYS A 28 -6.584 5.293 -0.857 1.00 1.25 H new ATOM 0 HD2 LYS A 28 -4.628 5.707 -2.067 1.00 10.51 H new ATOM 0 HD3 LYS A 28 -5.465 6.571 -3.341 1.00 10.51 H new ATOM 0 HE2 LYS A 28 -5.664 7.911 -0.701 1.00 53.14 H new ATOM 0 HE3 LYS A 28 -4.014 7.750 -1.268 1.00 53.14 H new ATOM 0 HZ1 LYS A 28 -5.217 9.792 -2.013 1.00 41.42 H new ATOM 0 HZ2 LYS A 28 -4.531 8.875 -3.267 1.00 41.42 H new ATOM 0 HZ3 LYS A 28 -6.203 8.800 -2.977 1.00 41.42 H new ATOM 367 N ARG A 29 -7.121 3.209 -0.074 1.00 54.40 N ATOM 368 CA ARG A 29 -6.232 2.520 0.845 1.00 44.01 C ATOM 369 C ARG A 29 -6.897 1.249 1.375 1.00 34.41 C ATOM 370 O ARG A 29 -6.257 0.203 1.475 1.00 44.41 O ATOM 371 CB ARG A 29 -5.853 3.419 2.024 1.00 73.13 C ATOM 372 CG ARG A 29 -5.512 4.832 1.548 1.00 44.41 C ATOM 373 CD ARG A 29 -4.393 4.804 0.505 1.00 45.22 C ATOM 374 NE ARG A 29 -3.771 6.143 0.393 1.00 21.43 N ATOM 375 CZ ARG A 29 -2.504 6.357 -0.021 1.00 70.43 C ATOM 376 NH1 ARG A 29 -1.712 5.320 -0.368 1.00 31.43 N ATOM 377 NH2 ARG A 29 -2.051 7.595 -0.083 1.00 33.02 N ATOM 0 H ARG A 29 -7.784 3.844 0.370 1.00 54.40 H new ATOM 0 HA ARG A 29 -5.327 2.259 0.297 1.00 44.01 H new ATOM 0 HB2 ARG A 29 -6.678 3.460 2.735 1.00 73.13 H new ATOM 0 HB3 ARG A 29 -4.999 2.993 2.551 1.00 73.13 H new ATOM 0 HG2 ARG A 29 -6.399 5.300 1.122 1.00 44.41 H new ATOM 0 HG3 ARG A 29 -5.207 5.442 2.398 1.00 44.41 H new ATOM 0 HD2 ARG A 29 -3.641 4.067 0.786 1.00 45.22 H new ATOM 0 HD3 ARG A 29 -4.793 4.498 -0.462 1.00 45.22 H new ATOM 0 HE ARG A 29 -4.335 6.955 0.644 1.00 21.43 H new ATOM 0 HH11 ARG A 29 -2.070 4.366 -0.318 1.00 31.43 H new ATOM 0 HH12 ARG A 29 -0.756 5.491 -0.680 1.00 31.43 H new ATOM 0 HH21 ARG A 29 -2.656 8.373 0.180 1.00 33.02 H new ATOM 0 HH22 ARG A 29 -1.096 7.774 -0.394 1.00 33.02 H new ATOM 390 N ILE A 30 -8.175 1.380 1.701 1.00 21.41 N ATOM 391 CA ILE A 30 -8.934 0.254 2.219 1.00 55.15 C ATOM 392 C ILE A 30 -8.511 -1.021 1.487 1.00 51.05 C ATOM 393 O ILE A 30 -8.181 -2.023 2.119 1.00 63.15 O ATOM 394 CB ILE A 30 -10.436 0.539 2.139 1.00 4.14 C ATOM 395 CG1 ILE A 30 -10.805 1.770 2.970 1.00 24.00 C ATOM 396 CG2 ILE A 30 -11.249 -0.691 2.545 1.00 34.33 C ATOM 397 CD1 ILE A 30 -11.709 1.388 4.144 1.00 43.42 C ATOM 0 H ILE A 30 -8.704 2.248 1.616 1.00 21.41 H new ATOM 0 HA ILE A 30 -8.717 0.102 3.276 1.00 55.15 H new ATOM 0 HB ILE A 30 -10.687 0.763 1.102 1.00 4.14 H new ATOM 0 HG12 ILE A 30 -9.898 2.246 3.344 1.00 24.00 H new ATOM 0 HG13 ILE A 30 -11.311 2.501 2.339 1.00 24.00 H new ATOM 0 HG21 ILE A 30 -12.313 -0.462 2.480 1.00 34.33 H new ATOM 0 HG22 ILE A 30 -11.014 -1.519 1.876 1.00 34.33 H new ATOM 0 HG23 ILE A 30 -11.000 -0.970 3.569 1.00 34.33 H new ATOM 0 HD11 ILE A 30 -11.956 2.281 4.718 1.00 43.42 H new ATOM 0 HD12 ILE A 30 -12.625 0.935 3.765 1.00 43.42 H new ATOM 0 HD13 ILE A 30 -11.190 0.676 4.786 1.00 43.42 H new ATOM 409 N ALA A 31 -8.535 -0.942 0.164 1.00 1.42 N ATOM 410 CA ALA A 31 -8.158 -2.077 -0.661 1.00 3.14 C ATOM 411 C ALA A 31 -6.812 -2.625 -0.181 1.00 73.41 C ATOM 412 O ALA A 31 -6.684 -3.819 0.086 1.00 34.23 O ATOM 413 CB ALA A 31 -8.124 -1.652 -2.130 1.00 2.31 C ATOM 0 H ALA A 31 -8.810 -0.109 -0.357 1.00 1.42 H new ATOM 0 HA ALA A 31 -8.892 -2.878 -0.571 1.00 3.14 H new ATOM 0 HB1 ALA A 31 -7.841 -2.504 -2.749 1.00 2.31 H new ATOM 0 HB2 ALA A 31 -9.110 -1.298 -2.429 1.00 2.31 H new ATOM 0 HB3 ALA A 31 -7.396 -0.851 -2.260 1.00 2.31 H new ATOM 419 N GLU A 32 -5.843 -1.727 -0.087 1.00 21.20 N ATOM 420 CA GLU A 32 -4.512 -2.106 0.356 1.00 62.24 C ATOM 421 C GLU A 32 -4.597 -2.957 1.624 1.00 25.51 C ATOM 422 O GLU A 32 -4.102 -4.083 1.655 1.00 61.34 O ATOM 423 CB GLU A 32 -3.637 -0.872 0.581 1.00 2.33 C ATOM 424 CG GLU A 32 -3.563 -0.013 -0.683 1.00 34.00 C ATOM 425 CD GLU A 32 -2.137 0.486 -0.925 1.00 15.23 C ATOM 426 OE1 GLU A 32 -1.810 1.626 -0.564 1.00 13.53 O ATOM 427 OE2 GLU A 32 -1.356 -0.358 -1.509 1.00 52.54 O ATOM 0 H GLU A 32 -5.953 -0.738 -0.310 1.00 21.20 H new ATOM 0 HA GLU A 32 -4.046 -2.703 -0.428 1.00 62.24 H new ATOM 0 HB2 GLU A 32 -4.040 -0.281 1.403 1.00 2.33 H new ATOM 0 HB3 GLU A 32 -2.634 -1.182 0.873 1.00 2.33 H new ATOM 0 HG2 GLU A 32 -3.899 -0.594 -1.542 1.00 34.00 H new ATOM 0 HG3 GLU A 32 -4.238 0.837 -0.589 1.00 34.00 H new ATOM 435 N ALA A 33 -5.227 -2.387 2.640 1.00 31.12 N ATOM 436 CA ALA A 33 -5.383 -3.080 3.908 1.00 0.41 C ATOM 437 C ALA A 33 -5.991 -4.461 3.658 1.00 31.23 C ATOM 438 O ALA A 33 -5.439 -5.473 4.087 1.00 64.23 O ATOM 439 CB ALA A 33 -6.235 -2.230 4.853 1.00 40.32 C ATOM 0 H ALA A 33 -5.636 -1.453 2.611 1.00 31.12 H new ATOM 0 HA ALA A 33 -4.415 -3.228 4.386 1.00 0.41 H new ATOM 0 HB1 ALA A 33 -6.352 -2.750 5.804 1.00 40.32 H new ATOM 0 HB2 ALA A 33 -5.745 -1.271 5.021 1.00 40.32 H new ATOM 0 HB3 ALA A 33 -7.216 -2.063 4.408 1.00 40.32 H new ATOM 445 N MET A 34 -7.121 -4.459 2.966 1.00 43.20 N ATOM 446 CA MET A 34 -7.810 -5.699 2.654 1.00 61.40 C ATOM 447 C MET A 34 -6.946 -6.599 1.768 1.00 42.23 C ATOM 448 O MET A 34 -7.262 -7.771 1.571 1.00 22.25 O ATOM 449 CB MET A 34 -9.125 -5.387 1.937 1.00 44.24 C ATOM 450 CG MET A 34 -10.099 -4.664 2.869 1.00 74.32 C ATOM 451 SD MET A 34 -10.736 -5.803 4.087 1.00 54.20 S ATOM 452 CE MET A 34 -10.451 -4.858 5.574 1.00 44.30 C ATOM 0 H MET A 34 -7.577 -3.618 2.613 1.00 43.20 H new ATOM 0 HA MET A 34 -8.011 -6.225 3.587 1.00 61.40 H new ATOM 0 HB2 MET A 34 -8.928 -4.769 1.061 1.00 44.24 H new ATOM 0 HB3 MET A 34 -9.577 -6.312 1.580 1.00 44.24 H new ATOM 0 HG2 MET A 34 -9.594 -3.834 3.364 1.00 74.32 H new ATOM 0 HG3 MET A 34 -10.920 -4.239 2.292 1.00 74.32 H new ATOM 0 HE1 MET A 34 -10.794 -5.427 6.438 1.00 44.30 H new ATOM 0 HE2 MET A 34 -9.386 -4.652 5.675 1.00 44.30 H new ATOM 0 HE3 MET A 34 -10.999 -3.917 5.518 1.00 44.30 H new ATOM 462 N ALA A 35 -5.872 -6.015 1.256 1.00 60.31 N ATOM 463 CA ALA A 35 -4.960 -6.749 0.395 1.00 30.31 C ATOM 464 C ALA A 35 -3.911 -7.456 1.256 1.00 45.44 C ATOM 465 O ALA A 35 -2.750 -7.048 1.286 1.00 54.25 O ATOM 466 CB ALA A 35 -4.333 -5.791 -0.620 1.00 31.13 C ATOM 0 H ALA A 35 -5.613 -5.042 1.421 1.00 60.31 H new ATOM 0 HA ALA A 35 -5.495 -7.514 -0.167 1.00 30.31 H new ATOM 0 HB1 ALA A 35 -3.649 -6.342 -1.266 1.00 31.13 H new ATOM 0 HB2 ALA A 35 -5.118 -5.338 -1.225 1.00 31.13 H new ATOM 0 HB3 ALA A 35 -3.785 -5.010 -0.093 1.00 31.13 H new ATOM 472 N LYS A 36 -4.356 -8.503 1.935 1.00 44.35 N ATOM 473 CA LYS A 36 -3.469 -9.270 2.793 1.00 13.43 C ATOM 474 C LYS A 36 -3.529 -10.745 2.393 1.00 30.10 C ATOM 475 O LYS A 36 -2.496 -11.402 2.272 1.00 2.52 O ATOM 476 CB LYS A 36 -3.800 -9.018 4.266 1.00 70.02 C ATOM 477 CG LYS A 36 -5.232 -9.451 4.588 1.00 64.30 C ATOM 478 CD LYS A 36 -5.270 -10.905 5.064 1.00 15.35 C ATOM 479 CE LYS A 36 -4.926 -11.003 6.552 1.00 63.52 C ATOM 480 NZ LYS A 36 -6.082 -10.594 7.380 1.00 30.41 N ATOM 0 H LYS A 36 -5.319 -8.838 1.908 1.00 44.35 H new ATOM 0 HA LYS A 36 -2.437 -8.946 2.661 1.00 13.43 H new ATOM 0 HB2 LYS A 36 -3.100 -9.564 4.898 1.00 70.02 H new ATOM 0 HB3 LYS A 36 -3.676 -7.959 4.494 1.00 70.02 H new ATOM 0 HG2 LYS A 36 -5.648 -8.801 5.358 1.00 64.30 H new ATOM 0 HG3 LYS A 36 -5.858 -9.338 3.703 1.00 64.30 H new ATOM 0 HD2 LYS A 36 -6.261 -11.324 4.888 1.00 15.35 H new ATOM 0 HD3 LYS A 36 -4.565 -11.500 4.484 1.00 15.35 H new ATOM 0 HE2 LYS A 36 -4.639 -12.025 6.798 1.00 63.52 H new ATOM 0 HE3 LYS A 36 -4.069 -10.368 6.775 1.00 63.52 H new ATOM 0 HZ1 LYS A 36 -5.894 -10.825 8.377 1.00 30.41 H new ATOM 0 HZ2 LYS A 36 -6.232 -9.569 7.284 1.00 30.41 H new ATOM 0 HZ3 LYS A 36 -6.933 -11.100 7.062 1.00 30.41 H new ATOM 493 N GLY A 37 -4.749 -11.223 2.198 1.00 31.42 N ATOM 494 CA GLY A 37 -4.957 -12.609 1.814 1.00 32.20 C ATOM 495 C GLY A 37 -4.679 -13.551 2.987 1.00 30.22 C ATOM 496 O GLY A 37 -3.631 -13.461 3.625 1.00 33.31 O ATOM 0 H GLY A 37 -5.604 -10.675 2.299 1.00 31.42 H new ATOM 0 HA2 GLY A 37 -5.982 -12.745 1.469 1.00 32.20 H new ATOM 0 HA3 GLY A 37 -4.304 -12.860 0.978 1.00 32.20 H new TER 500 GLY A 37