USER MOD reduce.3.24.130724 H: found=0, std=0, add=246, rem=0, adj=9 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+ 143:sc= -0.0396 (180deg=-0.547) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot -150:sc= -1.69! USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -0.535 K(o=-0.53,f=-1.8) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.124 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 63:sc= 0.754 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 149:sc= 0 (180deg=-0.015) USER MOD Single : A 36 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0791) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -2.599 8.279 -27.110 1.00 13.21 N ATOM 2 CA ARG A 1 -3.664 7.778 -26.258 1.00 32.41 C ATOM 3 C ARG A 1 -4.376 6.604 -26.934 1.00 32.14 C ATOM 4 O ARG A 1 -4.557 6.600 -28.150 1.00 51.32 O ATOM 5 CB ARG A 1 -4.685 8.875 -25.948 1.00 62.55 C ATOM 6 CG ARG A 1 -5.412 9.321 -27.219 1.00 3.24 C ATOM 7 CD ARG A 1 -6.825 8.738 -27.275 1.00 53.40 C ATOM 8 NE ARG A 1 -6.939 7.795 -28.410 1.00 22.03 N ATOM 9 CZ ARG A 1 -7.996 6.981 -28.615 1.00 14.35 C ATOM 10 NH1 ARG A 1 -9.042 6.989 -27.761 1.00 53.00 N ATOM 11 NH2 ARG A 1 -7.992 6.178 -29.662 1.00 34.11 N ATOM 0 H1 ARG A 1 -2.547 9.314 -27.028 1.00 13.21 H new ATOM 0 H2 ARG A 1 -1.693 7.862 -26.815 1.00 13.21 H new ATOM 0 H3 ARG A 1 -2.794 8.019 -28.098 1.00 13.21 H new ATOM 0 HA ARG A 1 -3.212 7.445 -25.324 1.00 32.41 H new ATOM 0 HB2 ARG A 1 -5.409 8.508 -25.220 1.00 62.55 H new ATOM 0 HB3 ARG A 1 -4.181 9.728 -25.494 1.00 62.55 H new ATOM 0 HG2 ARG A 1 -5.462 10.409 -27.251 1.00 3.24 H new ATOM 0 HG3 ARG A 1 -4.848 9.002 -28.096 1.00 3.24 H new ATOM 0 HD2 ARG A 1 -7.053 8.225 -26.341 1.00 53.40 H new ATOM 0 HD3 ARG A 1 -7.554 9.541 -27.384 1.00 53.40 H new ATOM 0 HE ARG A 1 -6.170 7.758 -29.079 1.00 22.03 H new ATOM 0 HH11 ARG A 1 -9.037 7.613 -26.954 1.00 53.00 H new ATOM 0 HH12 ARG A 1 -9.837 6.371 -27.923 1.00 53.00 H new ATOM 0 HH21 ARG A 1 -7.198 6.179 -30.302 1.00 34.11 H new ATOM 0 HH22 ARG A 1 -8.783 5.557 -29.831 1.00 34.11 H new ATOM 24 N GLY A 2 -4.761 5.636 -26.115 1.00 21.02 N ATOM 25 CA GLY A 2 -5.449 4.459 -26.618 1.00 51.41 C ATOM 26 C GLY A 2 -5.241 3.263 -25.688 1.00 20.51 C ATOM 27 O GLY A 2 -6.197 2.747 -25.110 1.00 41.22 O ATOM 0 H GLY A 2 -4.609 5.643 -25.106 1.00 21.02 H new ATOM 0 HA2 GLY A 2 -6.514 4.669 -26.713 1.00 51.41 H new ATOM 0 HA3 GLY A 2 -5.081 4.217 -27.615 1.00 51.41 H new ATOM 31 N LYS A 3 -3.986 2.855 -25.572 1.00 4.21 N ATOM 32 CA LYS A 3 -3.640 1.729 -24.722 1.00 22.33 C ATOM 33 C LYS A 3 -3.081 2.249 -23.396 1.00 31.33 C ATOM 34 O LYS A 3 -2.116 3.012 -23.381 1.00 73.40 O ATOM 35 CB LYS A 3 -2.695 0.774 -25.455 1.00 14.11 C ATOM 36 CG LYS A 3 -1.316 1.407 -25.646 1.00 5.22 C ATOM 37 CD LYS A 3 -0.353 0.429 -26.322 1.00 44.43 C ATOM 38 CE LYS A 3 -0.598 0.374 -27.831 1.00 71.24 C ATOM 39 NZ LYS A 3 -1.192 -0.927 -28.212 1.00 61.33 N ATOM 0 H LYS A 3 -3.196 3.285 -26.053 1.00 4.21 H new ATOM 0 HA LYS A 3 -4.528 1.143 -24.486 1.00 22.33 H new ATOM 0 HB2 LYS A 3 -2.598 -0.153 -24.890 1.00 14.11 H new ATOM 0 HB3 LYS A 3 -3.117 0.513 -26.426 1.00 14.11 H new ATOM 0 HG2 LYS A 3 -1.407 2.310 -26.250 1.00 5.22 H new ATOM 0 HG3 LYS A 3 -0.914 1.710 -24.679 1.00 5.22 H new ATOM 0 HD2 LYS A 3 0.676 0.733 -26.128 1.00 44.43 H new ATOM 0 HD3 LYS A 3 -0.478 -0.565 -25.893 1.00 44.43 H new ATOM 0 HE2 LYS A 3 -1.263 1.185 -28.127 1.00 71.24 H new ATOM 0 HE3 LYS A 3 0.341 0.522 -28.364 1.00 71.24 H new ATOM 0 HZ1 LYS A 3 -1.352 -0.948 -29.239 1.00 61.33 H new ATOM 0 HZ2 LYS A 3 -0.544 -1.696 -27.947 1.00 61.33 H new ATOM 0 HZ3 LYS A 3 -2.098 -1.053 -27.718 1.00 61.33 H new ATOM 52 N TRP A 4 -3.711 1.815 -22.314 1.00 54.10 N ATOM 53 CA TRP A 4 -3.289 2.227 -20.986 1.00 53.31 C ATOM 54 C TRP A 4 -1.774 2.036 -20.891 1.00 13.10 C ATOM 55 O TRP A 4 -1.017 3.003 -20.963 1.00 72.13 O ATOM 56 CB TRP A 4 -4.057 1.464 -19.905 1.00 52.02 C ATOM 57 CG TRP A 4 -4.619 2.354 -18.795 1.00 5.24 C ATOM 58 CD1 TRP A 4 -5.834 2.305 -18.233 1.00 53.12 C ATOM 59 CD2 TRP A 4 -3.932 3.435 -18.129 1.00 44.13 C ATOM 60 NE1 TRP A 4 -5.981 3.271 -17.259 1.00 2.43 N ATOM 61 CE2 TRP A 4 -4.787 3.980 -17.194 1.00 1.25 C ATOM 62 CE3 TRP A 4 -2.630 3.936 -18.312 1.00 75.50 C ATOM 63 CZ2 TRP A 4 -4.435 5.054 -16.367 1.00 52.32 C ATOM 64 CZ3 TRP A 4 -2.294 5.009 -17.479 1.00 13.15 C ATOM 65 CH2 TRP A 4 -3.144 5.569 -16.532 1.00 1.33 C ATOM 0 H TRP A 4 -4.511 1.182 -22.330 1.00 54.10 H new ATOM 0 HA TRP A 4 -3.518 3.279 -20.818 1.00 53.31 H new ATOM 0 HB2 TRP A 4 -4.879 0.921 -20.372 1.00 52.02 H new ATOM 0 HB3 TRP A 4 -3.396 0.720 -19.460 1.00 52.02 H new ATOM 0 HD1 TRP A 4 -6.602 1.598 -18.508 1.00 53.12 H new ATOM 0 HE1 TRP A 4 -6.812 3.435 -16.691 1.00 2.43 H new ATOM 0 HE3 TRP A 4 -1.944 3.525 -19.038 1.00 75.50 H new ATOM 0 HZ2 TRP A 4 -5.122 5.463 -15.641 1.00 52.32 H new ATOM 0 HZ3 TRP A 4 -1.305 5.432 -17.579 1.00 13.15 H new ATOM 0 HH2 TRP A 4 -2.809 6.398 -15.926 1.00 1.33 H new ATOM 76 N THR A 5 -1.377 0.782 -20.730 1.00 51.43 N ATOM 77 CA THR A 5 0.034 0.452 -20.625 1.00 11.04 C ATOM 78 C THR A 5 0.697 1.291 -19.531 1.00 5.12 C ATOM 79 O THR A 5 1.757 1.877 -19.750 1.00 15.24 O ATOM 80 CB THR A 5 0.668 0.640 -22.004 1.00 43.50 C ATOM 81 OG1 THR A 5 -0.281 0.074 -22.903 1.00 52.11 O ATOM 82 CG2 THR A 5 1.920 -0.218 -22.195 1.00 4.10 C ATOM 0 H THR A 5 -2.008 -0.017 -20.670 1.00 51.43 H new ATOM 0 HA THR A 5 0.176 -0.586 -20.326 1.00 11.04 H new ATOM 0 HB THR A 5 0.923 1.690 -22.146 1.00 43.50 H new ATOM 0 HG1 THR A 5 0.185 -0.284 -23.688 1.00 52.11 H new ATOM 0 HG21 THR A 5 2.330 -0.046 -23.190 1.00 4.10 H new ATOM 0 HG22 THR A 5 2.663 0.051 -21.445 1.00 4.10 H new ATOM 0 HG23 THR A 5 1.660 -1.271 -22.086 1.00 4.10 H new ATOM 90 N TYR A 6 0.047 1.322 -18.377 1.00 22.01 N ATOM 91 CA TYR A 6 0.561 2.080 -17.248 1.00 70.54 C ATOM 92 C TYR A 6 1.863 1.470 -16.726 1.00 64.20 C ATOM 93 O TYR A 6 2.921 2.093 -16.806 1.00 52.14 O ATOM 94 CB TYR A 6 -0.506 1.985 -16.156 1.00 53.23 C ATOM 95 CG TYR A 6 0.039 2.153 -14.737 1.00 3.31 C ATOM 96 CD1 TYR A 6 0.572 3.363 -14.341 1.00 41.31 C ATOM 97 CD2 TYR A 6 -0.001 1.095 -13.852 1.00 34.20 C ATOM 98 CE1 TYR A 6 1.086 3.521 -13.005 1.00 54.52 C ATOM 99 CE2 TYR A 6 0.512 1.253 -12.516 1.00 62.00 C ATOM 100 CZ TYR A 6 1.030 2.459 -12.159 1.00 24.54 C ATOM 101 OH TYR A 6 1.515 2.608 -10.897 1.00 24.12 O ATOM 0 H TYR A 6 -0.831 0.835 -18.199 1.00 22.01 H new ATOM 0 HA TYR A 6 0.770 3.109 -17.540 1.00 70.54 H new ATOM 0 HB2 TYR A 6 -1.264 2.748 -16.336 1.00 53.23 H new ATOM 0 HB3 TYR A 6 -1.003 1.018 -16.231 1.00 53.23 H new ATOM 0 HD1 TYR A 6 0.604 4.191 -15.033 1.00 41.31 H new ATOM 0 HD2 TYR A 6 -0.417 0.148 -14.162 1.00 34.20 H new ATOM 0 HE1 TYR A 6 1.506 4.462 -12.683 1.00 54.52 H new ATOM 0 HE2 TYR A 6 0.486 0.433 -11.814 1.00 62.00 H new ATOM 0 HH TYR A 6 1.408 1.768 -10.404 1.00 24.12 H new ATOM 111 N ASN A 7 1.744 0.259 -16.202 1.00 62.32 N ATOM 112 CA ASN A 7 2.899 -0.442 -15.667 1.00 30.12 C ATOM 113 C ASN A 7 3.358 -1.501 -16.671 1.00 63.01 C ATOM 114 O ASN A 7 3.762 -2.596 -16.283 1.00 21.11 O ATOM 115 CB ASN A 7 2.554 -1.152 -14.356 1.00 55.12 C ATOM 116 CG ASN A 7 3.811 -1.709 -13.687 1.00 21.54 C ATOM 117 OD1 ASN A 7 4.931 -1.363 -14.024 1.00 41.30 O ATOM 118 ND2 ASN A 7 3.565 -2.591 -12.721 1.00 54.53 N ATOM 0 H ASN A 7 0.865 -0.255 -16.136 1.00 62.32 H new ATOM 0 HA ASN A 7 3.684 0.292 -15.484 1.00 30.12 H new ATOM 0 HB2 ASN A 7 2.057 -0.455 -13.681 1.00 55.12 H new ATOM 0 HB3 ASN A 7 1.852 -1.963 -14.551 1.00 55.12 H new ATOM 0 HD21 ASN A 7 4.339 -3.021 -12.214 1.00 54.53 H new ATOM 0 HD22 ASN A 7 2.603 -2.837 -12.488 1.00 54.53 H new ATOM 125 N GLY A 8 3.281 -1.137 -17.943 1.00 22.32 N ATOM 126 CA GLY A 8 3.684 -2.042 -19.006 1.00 20.42 C ATOM 127 C GLY A 8 2.508 -2.907 -19.465 1.00 21.13 C ATOM 128 O GLY A 8 2.410 -3.255 -20.641 1.00 4.25 O ATOM 0 H GLY A 8 2.946 -0.228 -18.261 1.00 22.32 H new ATOM 0 HA2 GLY A 8 4.070 -1.469 -19.849 1.00 20.42 H new ATOM 0 HA3 GLY A 8 4.495 -2.681 -18.657 1.00 20.42 H new ATOM 132 N ILE A 9 1.645 -3.229 -18.513 1.00 31.23 N ATOM 133 CA ILE A 9 0.479 -4.047 -18.804 1.00 45.45 C ATOM 134 C ILE A 9 -0.628 -3.161 -19.380 1.00 22.32 C ATOM 135 O ILE A 9 -0.806 -2.024 -18.947 1.00 42.21 O ATOM 136 CB ILE A 9 0.054 -4.835 -17.564 1.00 63.44 C ATOM 137 CG1 ILE A 9 -0.010 -6.335 -17.864 1.00 11.44 C ATOM 138 CG2 ILE A 9 -1.267 -4.306 -17.004 1.00 12.50 C ATOM 139 CD1 ILE A 9 -0.781 -6.603 -19.157 1.00 53.25 C ATOM 0 H ILE A 9 1.730 -2.938 -17.539 1.00 31.23 H new ATOM 0 HA ILE A 9 0.717 -4.794 -19.561 1.00 45.45 H new ATOM 0 HB ILE A 9 0.810 -4.692 -16.792 1.00 63.44 H new ATOM 0 HG12 ILE A 9 1.000 -6.736 -17.949 1.00 11.44 H new ATOM 0 HG13 ILE A 9 -0.491 -6.855 -17.035 1.00 11.44 H new ATOM 0 HG21 ILE A 9 -1.546 -4.884 -16.123 1.00 12.50 H new ATOM 0 HG22 ILE A 9 -1.152 -3.258 -16.729 1.00 12.50 H new ATOM 0 HG23 ILE A 9 -2.046 -4.399 -17.761 1.00 12.50 H new ATOM 0 HD11 ILE A 9 -0.811 -7.676 -19.347 1.00 53.25 H new ATOM 0 HD12 ILE A 9 -1.798 -6.223 -19.060 1.00 53.25 H new ATOM 0 HD13 ILE A 9 -0.284 -6.102 -19.988 1.00 53.25 H new ATOM 151 N THR A 10 -1.343 -3.717 -20.347 1.00 13.04 N ATOM 152 CA THR A 10 -2.428 -2.992 -20.986 1.00 35.23 C ATOM 153 C THR A 10 -3.746 -3.250 -20.253 1.00 14.34 C ATOM 154 O THR A 10 -4.089 -4.396 -19.968 1.00 24.34 O ATOM 155 CB THR A 10 -2.464 -3.398 -22.460 1.00 71.14 C ATOM 156 OG1 THR A 10 -2.054 -4.763 -22.455 1.00 2.31 O ATOM 157 CG2 THR A 10 -1.390 -2.690 -23.289 1.00 14.41 C ATOM 0 H THR A 10 -1.192 -4.661 -20.703 1.00 13.04 H new ATOM 0 HA THR A 10 -2.268 -1.915 -20.934 1.00 35.23 H new ATOM 0 HB THR A 10 -3.448 -3.175 -22.873 1.00 71.14 H new ATOM 0 HG1 THR A 10 -2.051 -5.107 -23.373 1.00 2.31 H new ATOM 0 HG21 THR A 10 -1.460 -3.014 -24.327 1.00 14.41 H new ATOM 0 HG22 THR A 10 -1.540 -1.612 -23.234 1.00 14.41 H new ATOM 0 HG23 THR A 10 -0.404 -2.939 -22.896 1.00 14.41 H new ATOM 165 N TYR A 11 -4.450 -2.164 -19.968 1.00 53.12 N ATOM 166 CA TYR A 11 -5.723 -2.258 -19.274 1.00 11.24 C ATOM 167 C TYR A 11 -6.892 -2.131 -20.252 1.00 74.13 C ATOM 168 O TYR A 11 -7.500 -1.068 -20.364 1.00 52.44 O ATOM 169 CB TYR A 11 -5.759 -1.079 -18.299 1.00 35.22 C ATOM 170 CG TYR A 11 -4.979 -1.318 -17.005 1.00 11.23 C ATOM 171 CD1 TYR A 11 -4.232 -2.468 -16.851 1.00 72.13 C ATOM 172 CD2 TYR A 11 -5.022 -0.383 -15.990 1.00 50.45 C ATOM 173 CE1 TYR A 11 -3.498 -2.693 -15.633 1.00 43.33 C ATOM 174 CE2 TYR A 11 -4.288 -0.607 -14.772 1.00 65.24 C ATOM 175 CZ TYR A 11 -3.562 -1.751 -14.654 1.00 23.21 C ATOM 176 OH TYR A 11 -2.868 -1.963 -13.504 1.00 20.35 O ATOM 0 H TYR A 11 -4.163 -1.214 -20.205 1.00 53.12 H new ATOM 0 HA TYR A 11 -5.816 -3.220 -18.771 1.00 11.24 H new ATOM 0 HB2 TYR A 11 -5.356 -0.197 -18.797 1.00 35.22 H new ATOM 0 HB3 TYR A 11 -6.797 -0.858 -18.050 1.00 35.22 H new ATOM 0 HD1 TYR A 11 -4.198 -3.200 -17.645 1.00 72.13 H new ATOM 0 HD2 TYR A 11 -5.607 0.517 -16.110 1.00 50.45 H new ATOM 0 HE1 TYR A 11 -2.910 -3.589 -15.500 1.00 43.33 H new ATOM 0 HE2 TYR A 11 -4.313 0.117 -13.971 1.00 65.24 H new ATOM 0 HH TYR A 11 -3.005 -1.208 -12.895 1.00 20.35 H new ATOM 186 N GLU A 12 -7.172 -3.231 -20.936 1.00 12.02 N ATOM 187 CA GLU A 12 -8.258 -3.256 -21.901 1.00 61.33 C ATOM 188 C GLU A 12 -9.601 -3.064 -21.195 1.00 32.24 C ATOM 189 O GLU A 12 -10.582 -2.660 -21.817 1.00 41.42 O ATOM 190 CB GLU A 12 -8.244 -4.556 -22.708 1.00 62.12 C ATOM 191 CG GLU A 12 -8.441 -5.769 -21.797 1.00 62.30 C ATOM 192 CD GLU A 12 -7.499 -6.909 -22.191 1.00 33.33 C ATOM 193 OE1 GLU A 12 -6.652 -7.320 -21.384 1.00 33.52 O ATOM 194 OE2 GLU A 12 -7.671 -7.372 -23.383 1.00 15.43 O ATOM 0 H GLU A 12 -6.666 -4.111 -20.841 1.00 12.02 H new ATOM 0 HA GLU A 12 -8.116 -2.431 -22.599 1.00 61.33 H new ATOM 0 HB2 GLU A 12 -9.032 -4.530 -23.460 1.00 62.12 H new ATOM 0 HB3 GLU A 12 -7.298 -4.647 -23.241 1.00 62.12 H new ATOM 0 HG2 GLU A 12 -8.259 -5.484 -20.761 1.00 62.30 H new ATOM 0 HG3 GLU A 12 -9.475 -6.109 -21.857 1.00 62.30 H new ATOM 202 N GLY A 13 -9.603 -3.363 -19.904 1.00 21.41 N ATOM 203 CA GLY A 13 -10.810 -3.229 -19.106 1.00 3.30 C ATOM 204 C GLY A 13 -10.827 -4.244 -17.962 1.00 22.32 C ATOM 205 O GLY A 13 -10.237 -5.318 -18.072 1.00 34.44 O ATOM 0 H GLY A 13 -8.788 -3.698 -19.391 1.00 21.41 H new ATOM 0 HA2 GLY A 13 -10.872 -2.219 -18.701 1.00 3.30 H new ATOM 0 HA3 GLY A 13 -11.686 -3.374 -19.738 1.00 3.30 H new ATOM 209 N GLY A 14 -11.509 -3.869 -16.890 1.00 4.43 N ATOM 210 CA GLY A 14 -11.610 -4.733 -15.726 1.00 72.34 C ATOM 211 C GLY A 14 -10.360 -4.624 -14.851 1.00 12.31 C ATOM 212 O GLY A 14 -10.054 -3.552 -14.332 1.00 3.53 O ATOM 0 H GLY A 14 -11.997 -2.978 -16.803 1.00 4.43 H new ATOM 0 HA2 GLY A 14 -12.491 -4.462 -15.143 1.00 72.34 H new ATOM 0 HA3 GLY A 14 -11.745 -5.766 -16.046 1.00 72.34 H new ATOM 216 N GLY A 15 -9.672 -5.748 -14.714 1.00 12.41 N ATOM 217 CA GLY A 15 -8.462 -5.791 -13.910 1.00 74.32 C ATOM 218 C GLY A 15 -8.611 -4.937 -12.649 1.00 64.43 C ATOM 219 O GLY A 15 -8.330 -3.740 -12.670 1.00 23.03 O ATOM 0 H GLY A 15 -9.929 -6.636 -15.146 1.00 12.41 H new ATOM 0 HA2 GLY A 15 -8.242 -6.822 -13.632 1.00 74.32 H new ATOM 0 HA3 GLY A 15 -7.617 -5.433 -14.498 1.00 74.32 H new ATOM 223 N GLY A 16 -9.052 -5.587 -11.582 1.00 4.30 N ATOM 224 CA GLY A 16 -9.241 -4.902 -10.314 1.00 44.24 C ATOM 225 C GLY A 16 -10.692 -4.448 -10.147 1.00 72.23 C ATOM 226 O GLY A 16 -11.616 -5.251 -10.274 1.00 4.12 O ATOM 0 H GLY A 16 -9.284 -6.580 -11.569 1.00 4.30 H new ATOM 0 HA2 GLY A 16 -8.967 -5.566 -9.494 1.00 44.24 H new ATOM 0 HA3 GLY A 16 -8.578 -4.039 -10.261 1.00 44.24 H new ATOM 230 N GLY A 17 -10.848 -3.163 -9.865 1.00 74.05 N ATOM 231 CA GLY A 17 -12.172 -2.593 -9.680 1.00 20.03 C ATOM 232 C GLY A 17 -12.189 -1.619 -8.499 1.00 70.55 C ATOM 233 O GLY A 17 -11.703 -1.943 -7.417 1.00 12.44 O ATOM 0 H GLY A 17 -10.080 -2.500 -9.760 1.00 74.05 H new ATOM 0 HA2 GLY A 17 -12.479 -2.074 -10.588 1.00 20.03 H new ATOM 0 HA3 GLY A 17 -12.895 -3.391 -9.509 1.00 20.03 H new ATOM 237 N GLY A 18 -12.754 -0.447 -8.749 1.00 24.12 N ATOM 238 CA GLY A 18 -12.840 0.576 -7.720 1.00 73.43 C ATOM 239 C GLY A 18 -12.154 1.867 -8.172 1.00 32.45 C ATOM 240 O GLY A 18 -12.105 2.163 -9.364 1.00 41.52 O ATOM 0 H GLY A 18 -13.156 -0.183 -9.648 1.00 24.12 H new ATOM 0 HA2 GLY A 18 -13.886 0.777 -7.489 1.00 73.43 H new ATOM 0 HA3 GLY A 18 -12.375 0.215 -6.803 1.00 73.43 H new ATOM 244 N GLY A 19 -11.642 2.600 -7.194 1.00 62.40 N ATOM 245 CA GLY A 19 -10.961 3.852 -7.476 1.00 23.14 C ATOM 246 C GLY A 19 -9.644 3.606 -8.215 1.00 22.34 C ATOM 247 O GLY A 19 -9.506 2.617 -8.933 1.00 33.42 O ATOM 0 H GLY A 19 -11.685 2.351 -6.206 1.00 62.40 H new ATOM 0 HA2 GLY A 19 -11.605 4.493 -8.078 1.00 23.14 H new ATOM 0 HA3 GLY A 19 -10.765 4.382 -6.544 1.00 23.14 H new ATOM 251 N GLY A 20 -8.709 4.522 -8.013 1.00 3.41 N ATOM 252 CA GLY A 20 -7.408 4.417 -8.651 1.00 45.21 C ATOM 253 C GLY A 20 -6.281 4.637 -7.639 1.00 71.51 C ATOM 254 O GLY A 20 -5.549 5.621 -7.723 1.00 51.44 O ATOM 0 H GLY A 20 -8.826 5.341 -7.416 1.00 3.41 H new ATOM 0 HA2 GLY A 20 -7.302 3.434 -9.110 1.00 45.21 H new ATOM 0 HA3 GLY A 20 -7.331 5.153 -9.452 1.00 45.21 H new ATOM 258 N SER A 21 -6.178 3.702 -6.705 1.00 44.34 N ATOM 259 CA SER A 21 -5.153 3.781 -5.678 1.00 63.03 C ATOM 260 C SER A 21 -5.157 5.172 -5.040 1.00 72.41 C ATOM 261 O SER A 21 -4.122 5.651 -4.582 1.00 3.45 O ATOM 262 CB SER A 21 -3.771 3.466 -6.254 1.00 22.41 C ATOM 263 OG SER A 21 -3.110 4.636 -6.728 1.00 74.14 O ATOM 0 H SER A 21 -6.787 2.887 -6.638 1.00 44.34 H new ATOM 0 HA SER A 21 -5.377 3.037 -4.914 1.00 63.03 H new ATOM 0 HB2 SER A 21 -3.159 2.989 -5.488 1.00 22.41 H new ATOM 0 HB3 SER A 21 -3.873 2.751 -7.071 1.00 22.41 H new ATOM 0 HG SER A 21 -2.960 5.252 -5.981 1.00 74.14 H new ATOM 269 N ALA A 22 -6.334 5.780 -5.031 1.00 73.41 N ATOM 270 CA ALA A 22 -6.487 7.106 -4.457 1.00 34.52 C ATOM 271 C ALA A 22 -6.792 6.977 -2.963 1.00 1.51 C ATOM 272 O ALA A 22 -7.943 6.783 -2.575 1.00 2.43 O ATOM 273 CB ALA A 22 -7.580 7.866 -5.211 1.00 63.14 C ATOM 0 H ALA A 22 -7.191 5.379 -5.412 1.00 73.41 H new ATOM 0 HA ALA A 22 -5.564 7.677 -4.558 1.00 34.52 H new ATOM 0 HB1 ALA A 22 -7.695 8.861 -4.780 1.00 63.14 H new ATOM 0 HB2 ALA A 22 -7.303 7.955 -6.261 1.00 63.14 H new ATOM 0 HB3 ALA A 22 -8.522 7.324 -5.129 1.00 63.14 H new ATOM 279 N ALA A 23 -5.740 7.091 -2.165 1.00 51.23 N ATOM 280 CA ALA A 23 -5.881 6.991 -0.723 1.00 25.45 C ATOM 281 C ALA A 23 -6.091 5.525 -0.336 1.00 4.21 C ATOM 282 O ALA A 23 -6.695 5.232 0.695 1.00 61.15 O ATOM 283 CB ALA A 23 -7.030 7.887 -0.258 1.00 30.14 C ATOM 0 H ALA A 23 -4.787 7.252 -2.490 1.00 51.23 H new ATOM 0 HA ALA A 23 -4.976 7.338 -0.224 1.00 25.45 H new ATOM 0 HB1 ALA A 23 -7.135 7.811 0.824 1.00 30.14 H new ATOM 0 HB2 ALA A 23 -6.818 8.921 -0.531 1.00 30.14 H new ATOM 0 HB3 ALA A 23 -7.956 7.568 -0.736 1.00 30.14 H new ATOM 289 N GLU A 24 -5.580 4.644 -1.183 1.00 60.12 N ATOM 290 CA GLU A 24 -5.704 3.216 -0.943 1.00 51.21 C ATOM 291 C GLU A 24 -4.971 2.828 0.343 1.00 41.44 C ATOM 292 O GLU A 24 -5.400 1.925 1.058 1.00 74.52 O ATOM 293 CB GLU A 24 -5.182 2.412 -2.136 1.00 12.34 C ATOM 294 CG GLU A 24 -3.883 3.014 -2.676 1.00 73.31 C ATOM 295 CD GLU A 24 -3.015 1.940 -3.336 1.00 52.51 C ATOM 296 OE1 GLU A 24 -3.510 0.845 -3.643 1.00 5.34 O ATOM 297 OE2 GLU A 24 -1.785 2.277 -3.530 1.00 11.32 O ATOM 0 H GLU A 24 -5.079 4.891 -2.036 1.00 60.12 H new ATOM 0 HA GLU A 24 -6.761 2.978 -0.821 1.00 51.21 H new ATOM 0 HB2 GLU A 24 -5.011 1.378 -1.836 1.00 12.34 H new ATOM 0 HB3 GLU A 24 -5.934 2.394 -2.925 1.00 12.34 H new ATOM 0 HG2 GLU A 24 -4.113 3.796 -3.399 1.00 73.31 H new ATOM 0 HG3 GLU A 24 -3.330 3.485 -1.863 1.00 73.31 H new ATOM 305 N ALA A 25 -3.877 3.531 0.597 1.00 10.22 N ATOM 306 CA ALA A 25 -3.080 3.272 1.784 1.00 31.22 C ATOM 307 C ALA A 25 -3.978 3.341 3.021 1.00 1.41 C ATOM 308 O ALA A 25 -4.020 2.403 3.815 1.00 35.02 O ATOM 309 CB ALA A 25 -1.921 4.268 1.849 1.00 64.15 C ATOM 0 H ALA A 25 -3.524 4.280 0.001 1.00 10.22 H new ATOM 0 HA ALA A 25 -2.648 2.272 1.745 1.00 31.22 H new ATOM 0 HB1 ALA A 25 -1.323 4.073 2.740 1.00 64.15 H new ATOM 0 HB2 ALA A 25 -1.297 4.158 0.962 1.00 64.15 H new ATOM 0 HB3 ALA A 25 -2.316 5.283 1.892 1.00 64.15 H new ATOM 315 N TYR A 26 -4.673 4.462 3.146 1.00 53.21 N ATOM 316 CA TYR A 26 -5.568 4.667 4.273 1.00 63.53 C ATOM 317 C TYR A 26 -6.850 3.847 4.111 1.00 25.10 C ATOM 318 O TYR A 26 -7.419 3.377 5.095 1.00 5.22 O ATOM 319 CB TYR A 26 -5.923 6.154 4.264 1.00 15.53 C ATOM 320 CG TYR A 26 -7.371 6.446 3.862 1.00 23.15 C ATOM 321 CD1 TYR A 26 -8.410 5.991 4.649 1.00 51.44 C ATOM 322 CD2 TYR A 26 -7.637 7.163 2.714 1.00 41.31 C ATOM 323 CE1 TYR A 26 -9.772 6.266 4.270 1.00 32.35 C ATOM 324 CE2 TYR A 26 -8.999 7.438 2.336 1.00 60.42 C ATOM 325 CZ TYR A 26 -9.999 6.975 3.133 1.00 54.33 C ATOM 326 OH TYR A 26 -11.286 7.234 2.776 1.00 42.34 O ATOM 0 H TYR A 26 -4.635 5.238 2.485 1.00 53.21 H new ATOM 0 HA TYR A 26 -5.092 4.357 5.203 1.00 63.53 H new ATOM 0 HB2 TYR A 26 -5.742 6.566 5.257 1.00 15.53 H new ATOM 0 HB3 TYR A 26 -5.254 6.673 3.577 1.00 15.53 H new ATOM 0 HD1 TYR A 26 -8.202 5.430 5.548 1.00 51.44 H new ATOM 0 HD2 TYR A 26 -6.824 7.518 2.099 1.00 41.31 H new ATOM 0 HE1 TYR A 26 -10.595 5.916 4.876 1.00 32.35 H new ATOM 0 HE2 TYR A 26 -9.221 7.999 1.440 1.00 60.42 H new ATOM 0 HH TYR A 26 -11.297 7.750 1.943 1.00 42.34 H new ATOM 336 N ALA A 27 -7.267 3.700 2.862 1.00 5.20 N ATOM 337 CA ALA A 27 -8.471 2.946 2.559 1.00 64.53 C ATOM 338 C ALA A 27 -8.154 1.449 2.604 1.00 53.21 C ATOM 339 O ALA A 27 -9.033 0.618 2.379 1.00 41.43 O ATOM 340 CB ALA A 27 -9.020 3.385 1.200 1.00 62.41 C ATOM 0 H ALA A 27 -6.792 4.090 2.048 1.00 5.20 H new ATOM 0 HA ALA A 27 -9.244 3.142 3.302 1.00 64.53 H new ATOM 0 HB1 ALA A 27 -9.923 2.819 0.973 1.00 62.41 H new ATOM 0 HB2 ALA A 27 -9.256 4.449 1.229 1.00 62.41 H new ATOM 0 HB3 ALA A 27 -8.272 3.200 0.429 1.00 62.41 H new ATOM 346 N LYS A 28 -6.897 1.151 2.897 1.00 40.34 N ATOM 347 CA LYS A 28 -6.454 -0.230 2.974 1.00 22.42 C ATOM 348 C LYS A 28 -6.685 -0.757 4.392 1.00 55.20 C ATOM 349 O LYS A 28 -7.142 -1.885 4.572 1.00 4.23 O ATOM 350 CB LYS A 28 -5.004 -0.355 2.501 1.00 72.50 C ATOM 351 CG LYS A 28 -4.243 -1.391 3.332 1.00 15.52 C ATOM 352 CD LYS A 28 -2.793 -1.513 2.861 1.00 2.15 C ATOM 353 CE LYS A 28 -2.148 -2.791 3.400 1.00 25.14 C ATOM 354 NZ LYS A 28 -2.461 -3.940 2.522 1.00 60.21 N ATOM 0 H LYS A 28 -6.171 1.843 3.084 1.00 40.34 H new ATOM 0 HA LYS A 28 -7.040 -0.856 2.301 1.00 22.42 H new ATOM 0 HB2 LYS A 28 -4.984 -0.641 1.449 1.00 72.50 H new ATOM 0 HB3 LYS A 28 -4.508 0.613 2.577 1.00 72.50 H new ATOM 0 HG2 LYS A 28 -4.265 -1.106 4.384 1.00 15.52 H new ATOM 0 HG3 LYS A 28 -4.737 -2.359 3.254 1.00 15.52 H new ATOM 0 HD2 LYS A 28 -2.760 -1.516 1.772 1.00 2.15 H new ATOM 0 HD3 LYS A 28 -2.224 -0.645 3.195 1.00 2.15 H new ATOM 0 HE2 LYS A 28 -1.068 -2.660 3.466 1.00 25.14 H new ATOM 0 HE3 LYS A 28 -2.508 -2.989 4.410 1.00 25.14 H new ATOM 0 HZ1 LYS A 28 -2.015 -4.799 2.903 1.00 60.21 H new ATOM 0 HZ2 LYS A 28 -3.491 -4.074 2.480 1.00 60.21 H new ATOM 0 HZ3 LYS A 28 -2.096 -3.756 1.566 1.00 60.21 H new ATOM 367 N ARG A 29 -6.361 0.085 5.362 1.00 44.20 N ATOM 368 CA ARG A 29 -6.528 -0.281 6.758 1.00 24.11 C ATOM 369 C ARG A 29 -7.990 -0.119 7.178 1.00 21.31 C ATOM 370 O ARG A 29 -8.528 -0.957 7.900 1.00 74.21 O ATOM 371 CB ARG A 29 -5.646 0.582 7.663 1.00 23.51 C ATOM 372 CG ARG A 29 -4.233 0.711 7.090 1.00 22.43 C ATOM 373 CD ARG A 29 -3.531 -0.648 7.052 1.00 63.35 C ATOM 374 NE ARG A 29 -2.120 -0.477 6.638 1.00 60.41 N ATOM 375 CZ ARG A 29 -1.148 -1.386 6.869 1.00 52.33 C ATOM 376 NH1 ARG A 29 -1.427 -2.539 7.513 1.00 11.42 N ATOM 377 NH2 ARG A 29 0.079 -1.129 6.455 1.00 72.40 N ATOM 0 H ARG A 29 -5.983 1.020 5.209 1.00 44.20 H new ATOM 0 HA ARG A 29 -6.229 -1.324 6.865 1.00 24.11 H new ATOM 0 HB2 ARG A 29 -6.090 1.572 7.773 1.00 23.51 H new ATOM 0 HB3 ARG A 29 -5.600 0.141 8.659 1.00 23.51 H new ATOM 0 HG2 ARG A 29 -4.281 1.128 6.084 1.00 22.43 H new ATOM 0 HG3 ARG A 29 -3.653 1.407 7.696 1.00 22.43 H new ATOM 0 HD2 ARG A 29 -3.576 -1.118 8.035 1.00 63.35 H new ATOM 0 HD3 ARG A 29 -4.045 -1.313 6.357 1.00 63.35 H new ATOM 0 HE ARG A 29 -1.866 0.381 6.148 1.00 60.41 H new ATOM 0 HH11 ARG A 29 -2.378 -2.729 7.829 1.00 11.42 H new ATOM 0 HH12 ARG A 29 -0.687 -3.220 7.683 1.00 11.42 H new ATOM 0 HH21 ARG A 29 0.281 -0.255 5.969 1.00 72.40 H new ATOM 0 HH22 ARG A 29 0.825 -1.804 6.621 1.00 72.40 H new ATOM 390 N ILE A 30 -8.591 0.964 6.708 1.00 22.13 N ATOM 391 CA ILE A 30 -9.980 1.246 7.026 1.00 13.31 C ATOM 392 C ILE A 30 -10.771 -0.064 7.047 1.00 44.44 C ATOM 393 O ILE A 30 -11.478 -0.351 8.011 1.00 24.22 O ATOM 394 CB ILE A 30 -10.548 2.292 6.064 1.00 10.25 C ATOM 395 CG1 ILE A 30 -9.803 3.622 6.198 1.00 22.22 C ATOM 396 CG2 ILE A 30 -12.056 2.458 6.263 1.00 71.23 C ATOM 397 CD1 ILE A 30 -10.665 4.664 6.912 1.00 13.35 C ATOM 0 H ILE A 30 -8.141 1.657 6.109 1.00 22.13 H new ATOM 0 HA ILE A 30 -10.061 1.684 8.021 1.00 13.31 H new ATOM 0 HB ILE A 30 -10.394 1.938 5.045 1.00 10.25 H new ATOM 0 HG12 ILE A 30 -8.877 3.470 6.752 1.00 22.22 H new ATOM 0 HG13 ILE A 30 -9.527 3.989 5.210 1.00 22.22 H new ATOM 0 HG21 ILE A 30 -12.435 3.207 5.567 1.00 71.23 H new ATOM 0 HG22 ILE A 30 -12.554 1.506 6.078 1.00 71.23 H new ATOM 0 HG23 ILE A 30 -12.255 2.779 7.285 1.00 71.23 H new ATOM 0 HD11 ILE A 30 -10.112 5.600 6.994 1.00 13.35 H new ATOM 0 HD12 ILE A 30 -11.579 4.832 6.343 1.00 13.35 H new ATOM 0 HD13 ILE A 30 -10.919 4.304 7.909 1.00 13.35 H new ATOM 409 N ALA A 31 -10.624 -0.823 5.971 1.00 53.34 N ATOM 410 CA ALA A 31 -11.316 -2.095 5.853 1.00 64.32 C ATOM 411 C ALA A 31 -11.064 -2.926 7.113 1.00 54.20 C ATOM 412 O ALA A 31 -12.006 -3.408 7.741 1.00 63.02 O ATOM 413 CB ALA A 31 -10.855 -2.811 4.581 1.00 0.14 C ATOM 0 H ALA A 31 -10.036 -0.582 5.173 1.00 53.34 H new ATOM 0 HA ALA A 31 -12.392 -1.941 5.769 1.00 64.32 H new ATOM 0 HB1 ALA A 31 -11.374 -3.765 4.492 1.00 0.14 H new ATOM 0 HB2 ALA A 31 -11.082 -2.192 3.713 1.00 0.14 H new ATOM 0 HB3 ALA A 31 -9.780 -2.986 4.631 1.00 0.14 H new ATOM 419 N GLU A 32 -9.790 -3.067 7.445 1.00 23.34 N ATOM 420 CA GLU A 32 -9.403 -3.831 8.619 1.00 23.23 C ATOM 421 C GLU A 32 -10.241 -3.409 9.827 1.00 33.14 C ATOM 422 O GLU A 32 -10.894 -4.241 10.456 1.00 63.32 O ATOM 423 CB GLU A 32 -7.908 -3.674 8.907 1.00 34.25 C ATOM 424 CG GLU A 32 -7.069 -4.114 7.706 1.00 30.33 C ATOM 425 CD GLU A 32 -5.890 -4.983 8.150 1.00 51.10 C ATOM 426 OE1 GLU A 32 -4.749 -4.501 8.198 1.00 4.00 O ATOM 427 OE2 GLU A 32 -6.193 -6.200 8.453 1.00 41.24 O ATOM 0 H GLU A 32 -9.012 -2.665 6.922 1.00 23.34 H new ATOM 0 HA GLU A 32 -9.593 -4.886 8.421 1.00 23.23 H new ATOM 0 HB2 GLU A 32 -7.688 -2.634 9.148 1.00 34.25 H new ATOM 0 HB3 GLU A 32 -7.638 -4.267 9.781 1.00 34.25 H new ATOM 0 HG2 GLU A 32 -7.693 -4.671 7.006 1.00 30.33 H new ATOM 0 HG3 GLU A 32 -6.699 -3.237 7.175 1.00 30.33 H new ATOM 435 N ALA A 33 -10.197 -2.117 10.116 1.00 2.20 N ATOM 436 CA ALA A 33 -10.945 -1.574 11.238 1.00 65.34 C ATOM 437 C ALA A 33 -12.416 -1.973 11.105 1.00 43.23 C ATOM 438 O ALA A 33 -13.020 -2.456 12.061 1.00 55.13 O ATOM 439 CB ALA A 33 -10.754 -0.057 11.292 1.00 20.24 C ATOM 0 H ALA A 33 -9.655 -1.430 9.593 1.00 2.20 H new ATOM 0 HA ALA A 33 -10.577 -1.982 12.179 1.00 65.34 H new ATOM 0 HB1 ALA A 33 -11.315 0.351 12.133 1.00 20.24 H new ATOM 0 HB2 ALA A 33 -9.696 0.172 11.416 1.00 20.24 H new ATOM 0 HB3 ALA A 33 -11.115 0.388 10.365 1.00 20.24 H new ATOM 445 N MET A 34 -12.949 -1.755 9.912 1.00 71.44 N ATOM 446 CA MET A 34 -14.338 -2.086 9.641 1.00 10.23 C ATOM 447 C MET A 34 -14.574 -3.594 9.748 1.00 44.14 C ATOM 448 O MET A 34 -15.717 -4.048 9.762 1.00 42.35 O ATOM 449 CB MET A 34 -14.712 -1.608 8.237 1.00 75.22 C ATOM 450 CG MET A 34 -14.664 -0.082 8.146 1.00 41.42 C ATOM 451 SD MET A 34 -16.230 0.610 8.649 1.00 15.20 S ATOM 452 CE MET A 34 -17.150 0.432 7.130 1.00 74.22 C ATOM 0 H MET A 34 -12.444 -1.353 9.122 1.00 71.44 H new ATOM 0 HA MET A 34 -14.962 -1.587 10.382 1.00 10.23 H new ATOM 0 HB2 MET A 34 -14.028 -2.041 7.507 1.00 75.22 H new ATOM 0 HB3 MET A 34 -15.712 -1.960 7.984 1.00 75.22 H new ATOM 0 HG2 MET A 34 -13.866 0.303 8.781 1.00 41.42 H new ATOM 0 HG3 MET A 34 -14.434 0.222 7.125 1.00 41.42 H new ATOM 0 HE1 MET A 34 -18.205 0.279 7.359 1.00 74.22 H new ATOM 0 HE2 MET A 34 -17.037 1.334 6.528 1.00 74.22 H new ATOM 0 HE3 MET A 34 -16.771 -0.425 6.574 1.00 74.22 H new ATOM 462 N ALA A 35 -13.474 -4.329 9.820 1.00 44.31 N ATOM 463 CA ALA A 35 -13.546 -5.776 9.925 1.00 71.25 C ATOM 464 C ALA A 35 -13.331 -6.189 11.382 1.00 72.20 C ATOM 465 O ALA A 35 -12.195 -6.292 11.841 1.00 44.13 O ATOM 466 CB ALA A 35 -12.520 -6.408 8.982 1.00 21.31 C ATOM 0 H ALA A 35 -12.528 -3.949 9.808 1.00 44.31 H new ATOM 0 HA ALA A 35 -14.530 -6.134 9.623 1.00 71.25 H new ATOM 0 HB1 ALA A 35 -12.574 -7.494 9.061 1.00 21.31 H new ATOM 0 HB2 ALA A 35 -12.735 -6.107 7.957 1.00 21.31 H new ATOM 0 HB3 ALA A 35 -11.519 -6.074 9.256 1.00 21.31 H new ATOM 472 N LYS A 36 -14.441 -6.415 12.069 1.00 11.14 N ATOM 473 CA LYS A 36 -14.389 -6.814 13.465 1.00 24.45 C ATOM 474 C LYS A 36 -13.337 -7.912 13.638 1.00 31.30 C ATOM 475 O LYS A 36 -12.321 -7.705 14.299 1.00 21.13 O ATOM 476 CB LYS A 36 -15.780 -7.212 13.962 1.00 72.13 C ATOM 477 CG LYS A 36 -16.601 -5.978 14.341 1.00 43.53 C ATOM 478 CD LYS A 36 -17.068 -5.226 13.093 1.00 52.42 C ATOM 479 CE LYS A 36 -18.054 -4.114 13.460 1.00 64.25 C ATOM 480 NZ LYS A 36 -17.387 -3.082 14.285 1.00 71.11 N ATOM 0 H LYS A 36 -15.382 -6.329 11.685 1.00 11.14 H new ATOM 0 HA LYS A 36 -14.081 -5.975 14.089 1.00 24.45 H new ATOM 0 HB2 LYS A 36 -16.300 -7.775 13.187 1.00 72.13 H new ATOM 0 HB3 LYS A 36 -15.687 -7.870 14.826 1.00 72.13 H new ATOM 0 HG2 LYS A 36 -17.465 -6.279 14.933 1.00 43.53 H new ATOM 0 HG3 LYS A 36 -16.002 -5.316 14.966 1.00 43.53 H new ATOM 0 HD2 LYS A 36 -16.207 -4.799 12.578 1.00 52.42 H new ATOM 0 HD3 LYS A 36 -17.541 -5.922 12.400 1.00 52.42 H new ATOM 0 HE2 LYS A 36 -18.454 -3.661 12.553 1.00 64.25 H new ATOM 0 HE3 LYS A 36 -18.899 -4.534 14.006 1.00 64.25 H new ATOM 0 HZ1 LYS A 36 -18.027 -2.272 14.412 1.00 71.11 H new ATOM 0 HZ2 LYS A 36 -17.147 -3.482 15.214 1.00 71.11 H new ATOM 0 HZ3 LYS A 36 -16.518 -2.766 13.809 1.00 71.11 H new ATOM 493 N GLY A 37 -13.618 -9.056 13.032 1.00 63.52 N ATOM 494 CA GLY A 37 -12.709 -10.187 13.110 1.00 23.41 C ATOM 495 C GLY A 37 -13.476 -11.511 13.081 1.00 52.22 C ATOM 496 O GLY A 37 -14.654 -11.542 12.728 1.00 11.40 O ATOM 0 H GLY A 37 -14.462 -9.224 12.485 1.00 63.52 H new ATOM 0 HA2 GLY A 37 -12.007 -10.151 12.277 1.00 23.41 H new ATOM 0 HA3 GLY A 37 -12.121 -10.123 14.026 1.00 23.41 H new TER 500 GLY A 37