USER MOD reduce.3.24.130724 H: found=0, std=0, add=259, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 257 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 TRP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -163:sc= -0.0331 (180deg=-0.255) USER MOD Single : A 8 GLN : amide:sc= -0.365 X(o=-0.36,f=-0.36) USER MOD Single : A 9 ASN : amide:sc= -0.151 X(o=-0.15,f=0) USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.234 K(o=-0.23,f=-1.3) USER MOD Single : A 19 LYS NZ :NH3+ 164:sc= -0.0205 (180deg=-0.223) USER MOD Single : A 22 ASN : amide:sc= -0.0233 K(o=-0.023,f=-0.57) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A 1 4.958 -2.653 2.778 1.00 1.21 N ATOM 2 CA TRP A 1 4.691 -3.214 1.459 1.00 53.04 C ATOM 3 C TRP A 1 5.287 -2.337 0.363 1.00 23.21 C ATOM 4 O TRP A 1 5.031 -1.135 0.309 1.00 62.23 O ATOM 5 CB TRP A 1 3.184 -3.367 1.243 1.00 63.23 C ATOM 6 CG TRP A 1 2.837 -4.275 0.102 1.00 21.51 C ATOM 7 CD1 TRP A 1 3.039 -5.625 0.038 1.00 11.40 C ATOM 8 CD2 TRP A 1 2.229 -3.899 -1.138 1.00 61.44 C ATOM 9 NE1 TRP A 1 2.593 -6.110 -1.168 1.00 0.13 N ATOM 10 CE2 TRP A 1 2.091 -5.072 -1.907 1.00 11.21 C ATOM 11 CE3 TRP A 1 1.786 -2.687 -1.674 1.00 30.12 C ATOM 12 CZ2 TRP A 1 1.530 -5.064 -3.181 1.00 71.42 C ATOM 13 CZ3 TRP A 1 1.230 -2.681 -2.939 1.00 33.32 C ATOM 14 CH2 TRP A 1 1.105 -3.863 -3.681 1.00 33.43 C ATOM 0 H1 TRP A 1 4.543 -3.267 3.507 1.00 1.21 H new ATOM 0 H2 TRP A 1 5.985 -2.586 2.925 1.00 1.21 H new ATOM 0 H3 TRP A 1 4.537 -1.704 2.844 1.00 1.21 H new ATOM 0 HA TRP A 1 5.161 -4.196 1.408 1.00 53.04 H new ATOM 0 HB2 TRP A 1 2.731 -3.753 2.156 1.00 63.23 H new ATOM 0 HB3 TRP A 1 2.749 -2.384 1.062 1.00 63.23 H new ATOM 0 HD1 TRP A 1 3.484 -6.223 0.820 1.00 11.40 H new ATOM 0 HE1 TRP A 1 2.630 -7.085 -1.465 1.00 0.13 H new ATOM 0 HE3 TRP A 1 1.877 -1.771 -1.109 1.00 30.12 H new ATOM 0 HZ2 TRP A 1 1.434 -5.974 -3.755 1.00 71.42 H new ATOM 0 HZ3 TRP A 1 0.886 -1.749 -3.363 1.00 33.32 H new ATOM 0 HH2 TRP A 1 0.665 -3.826 -4.666 1.00 33.43 H new ATOM 25 N GLY A 2 6.084 -2.947 -0.509 1.00 63.21 N ATOM 26 CA GLY A 2 6.704 -2.206 -1.592 1.00 5.13 C ATOM 27 C GLY A 2 6.730 -2.988 -2.890 1.00 30.01 C ATOM 28 O GLY A 2 5.957 -3.929 -3.071 1.00 14.53 O ATOM 0 H GLY A 2 6.311 -3.941 -0.485 1.00 63.21 H new ATOM 0 HA2 GLY A 2 6.163 -1.272 -1.745 1.00 5.13 H new ATOM 0 HA3 GLY A 2 7.723 -1.942 -1.310 1.00 5.13 H new ATOM 32 N TRP A 3 7.619 -2.598 -3.796 1.00 24.32 N ATOM 33 CA TRP A 3 7.741 -3.269 -5.085 1.00 72.12 C ATOM 34 C TRP A 3 8.381 -4.644 -4.925 1.00 55.15 C ATOM 35 O TRP A 3 8.000 -5.599 -5.603 1.00 25.33 O ATOM 36 CB TRP A 3 8.567 -2.418 -6.050 1.00 41.54 C ATOM 37 CG TRP A 3 7.771 -1.339 -6.721 1.00 63.14 C ATOM 38 CD1 TRP A 3 7.586 -0.061 -6.278 1.00 1.21 C ATOM 39 CD2 TRP A 3 7.052 -1.446 -7.955 1.00 23.11 C ATOM 40 NE1 TRP A 3 6.795 0.633 -7.161 1.00 42.45 N ATOM 41 CE2 TRP A 3 6.455 -0.194 -8.199 1.00 43.20 C ATOM 42 CE3 TRP A 3 6.856 -2.477 -8.878 1.00 4.12 C ATOM 43 CZ2 TRP A 3 5.676 0.052 -9.327 1.00 23.15 C ATOM 44 CZ3 TRP A 3 6.083 -2.232 -9.996 1.00 53.52 C ATOM 45 CH2 TRP A 3 5.501 -0.975 -10.213 1.00 60.44 C ATOM 0 H TRP A 3 8.266 -1.821 -3.662 1.00 24.32 H new ATOM 0 HA TRP A 3 6.739 -3.401 -5.494 1.00 72.12 H new ATOM 0 HB2 TRP A 3 9.395 -1.964 -5.505 1.00 41.54 H new ATOM 0 HB3 TRP A 3 9.003 -3.065 -6.811 1.00 41.54 H new ATOM 0 HD1 TRP A 3 8.001 0.345 -5.367 1.00 1.21 H new ATOM 0 HE1 TRP A 3 6.507 1.606 -7.060 1.00 42.45 H new ATOM 0 HE3 TRP A 3 7.301 -3.448 -8.720 1.00 4.12 H new ATOM 0 HZ2 TRP A 3 5.226 1.019 -9.496 1.00 23.15 H new ATOM 0 HZ3 TRP A 3 5.924 -3.022 -10.715 1.00 53.52 H new ATOM 0 HH2 TRP A 3 4.902 -0.815 -11.098 1.00 60.44 H new ATOM 56 N LYS A 4 9.354 -4.738 -4.026 1.00 12.12 N ATOM 57 CA LYS A 4 10.046 -5.997 -3.775 1.00 51.45 C ATOM 58 C LYS A 4 9.072 -7.066 -3.290 1.00 43.22 C ATOM 59 O LYS A 4 9.243 -8.250 -3.579 1.00 10.31 O ATOM 60 CB LYS A 4 11.156 -5.795 -2.741 1.00 73.12 C ATOM 61 CG LYS A 4 12.429 -5.206 -3.323 1.00 24.34 C ATOM 62 CD LYS A 4 12.396 -3.687 -3.314 1.00 21.20 C ATOM 63 CE LYS A 4 13.756 -3.098 -3.656 1.00 1.14 C ATOM 64 NZ LYS A 4 14.759 -3.360 -2.586 1.00 54.11 N ATOM 0 H LYS A 4 9.682 -3.957 -3.458 1.00 12.12 H new ATOM 0 HA LYS A 4 10.489 -6.333 -4.713 1.00 51.45 H new ATOM 0 HB2 LYS A 4 10.790 -5.139 -1.951 1.00 73.12 H new ATOM 0 HB3 LYS A 4 11.388 -6.754 -2.277 1.00 73.12 H new ATOM 0 HG2 LYS A 4 13.288 -5.555 -2.750 1.00 24.34 H new ATOM 0 HG3 LYS A 4 12.562 -5.562 -4.345 1.00 24.34 H new ATOM 0 HD2 LYS A 4 11.655 -3.334 -4.031 1.00 21.20 H new ATOM 0 HD3 LYS A 4 12.082 -3.335 -2.331 1.00 21.20 H new ATOM 0 HE2 LYS A 4 14.109 -3.521 -4.596 1.00 1.14 H new ATOM 0 HE3 LYS A 4 13.659 -2.023 -3.807 1.00 1.14 H new ATOM 0 HZ1 LYS A 4 15.569 -2.719 -2.705 1.00 54.11 H new ATOM 0 HZ2 LYS A 4 14.324 -3.199 -1.655 1.00 54.11 H new ATOM 0 HZ3 LYS A 4 15.085 -4.345 -2.650 1.00 54.11 H new ATOM 78 N GLU A 5 8.051 -6.640 -2.553 1.00 43.52 N ATOM 79 CA GLU A 5 7.051 -7.562 -2.029 1.00 53.23 C ATOM 80 C GLU A 5 6.168 -8.102 -3.151 1.00 65.11 C ATOM 81 O GLU A 5 5.720 -9.248 -3.107 1.00 3.14 O ATOM 82 CB GLU A 5 6.186 -6.867 -0.976 1.00 1.44 C ATOM 83 CG GLU A 5 6.978 -6.337 0.208 1.00 33.03 C ATOM 84 CD GLU A 5 7.764 -7.423 0.917 1.00 11.21 C ATOM 85 OE1 GLU A 5 9.009 -7.331 0.944 1.00 62.21 O ATOM 86 OE2 GLU A 5 7.135 -8.364 1.444 1.00 14.43 O ATOM 0 H GLU A 5 7.895 -5.663 -2.306 1.00 43.52 H new ATOM 0 HA GLU A 5 7.574 -8.399 -1.565 1.00 53.23 H new ATOM 0 HB2 GLU A 5 5.652 -6.040 -1.445 1.00 1.44 H new ATOM 0 HB3 GLU A 5 5.434 -7.569 -0.615 1.00 1.44 H new ATOM 0 HG2 GLU A 5 7.664 -5.563 -0.136 1.00 33.03 H new ATOM 0 HG3 GLU A 5 6.295 -5.867 0.916 1.00 33.03 H new ATOM 93 N VAL A 6 5.923 -7.268 -4.157 1.00 33.14 N ATOM 94 CA VAL A 6 5.095 -7.661 -5.291 1.00 11.23 C ATOM 95 C VAL A 6 5.736 -8.803 -6.070 1.00 25.52 C ATOM 96 O VAL A 6 5.049 -9.704 -6.551 1.00 31.31 O ATOM 97 CB VAL A 6 4.852 -6.476 -6.245 1.00 33.41 C ATOM 98 CG1 VAL A 6 3.954 -6.896 -7.399 1.00 42.01 C ATOM 99 CG2 VAL A 6 4.250 -5.300 -5.491 1.00 33.31 C ATOM 0 H VAL A 6 6.286 -6.316 -4.210 1.00 33.14 H new ATOM 0 HA VAL A 6 4.140 -7.994 -4.885 1.00 11.23 H new ATOM 0 HB VAL A 6 5.811 -6.161 -6.657 1.00 33.41 H new ATOM 0 HG11 VAL A 6 3.793 -6.046 -8.063 1.00 42.01 H new ATOM 0 HG12 VAL A 6 4.429 -7.705 -7.954 1.00 42.01 H new ATOM 0 HG13 VAL A 6 2.996 -7.238 -7.008 1.00 42.01 H new ATOM 0 HG21 VAL A 6 4.085 -4.472 -6.180 1.00 33.31 H new ATOM 0 HG22 VAL A 6 3.300 -5.599 -5.049 1.00 33.31 H new ATOM 0 HG23 VAL A 6 4.933 -4.985 -4.703 1.00 33.31 H new ATOM 109 N VAL A 7 7.060 -8.761 -6.190 1.00 54.34 N ATOM 110 CA VAL A 7 7.796 -9.793 -6.910 1.00 35.41 C ATOM 111 C VAL A 7 7.622 -11.155 -6.247 1.00 32.13 C ATOM 112 O VAL A 7 7.664 -12.190 -6.912 1.00 2.42 O ATOM 113 CB VAL A 7 9.297 -9.461 -6.989 1.00 3.24 C ATOM 114 CG1 VAL A 7 10.015 -10.445 -7.899 1.00 64.12 C ATOM 115 CG2 VAL A 7 9.502 -8.032 -7.468 1.00 54.41 C ATOM 0 H VAL A 7 7.644 -8.023 -5.797 1.00 54.34 H new ATOM 0 HA VAL A 7 7.386 -9.828 -7.919 1.00 35.41 H new ATOM 0 HB VAL A 7 9.724 -9.550 -5.990 1.00 3.24 H new ATOM 0 HG11 VAL A 7 11.075 -10.194 -7.942 1.00 64.12 H new ATOM 0 HG12 VAL A 7 9.897 -11.455 -7.507 1.00 64.12 H new ATOM 0 HG13 VAL A 7 9.589 -10.392 -8.901 1.00 64.12 H new ATOM 0 HG21 VAL A 7 10.569 -7.814 -7.518 1.00 54.41 H new ATOM 0 HG22 VAL A 7 9.061 -7.913 -8.458 1.00 54.41 H new ATOM 0 HG23 VAL A 7 9.023 -7.343 -6.772 1.00 54.41 H new ATOM 125 N GLN A 8 7.426 -11.146 -4.932 1.00 72.22 N ATOM 126 CA GLN A 8 7.246 -12.382 -4.179 1.00 12.42 C ATOM 127 C GLN A 8 6.131 -13.229 -4.782 1.00 72.51 C ATOM 128 O GLN A 8 6.243 -14.452 -4.865 1.00 1.31 O ATOM 129 CB GLN A 8 6.930 -12.070 -2.715 1.00 3.41 C ATOM 130 CG GLN A 8 7.178 -13.240 -1.776 1.00 41.45 C ATOM 131 CD GLN A 8 8.604 -13.750 -1.844 1.00 31.01 C ATOM 132 OE1 GLN A 8 9.553 -13.010 -1.585 1.00 44.22 O ATOM 133 NE2 GLN A 8 8.762 -15.021 -2.193 1.00 20.53 N ATOM 0 H GLN A 8 7.388 -10.298 -4.367 1.00 72.22 H new ATOM 0 HA GLN A 8 8.176 -12.948 -4.231 1.00 12.42 H new ATOM 0 HB2 GLN A 8 7.536 -11.223 -2.394 1.00 3.41 H new ATOM 0 HB3 GLN A 8 5.887 -11.765 -2.634 1.00 3.41 H new ATOM 0 HG2 GLN A 8 6.954 -12.935 -0.754 1.00 41.45 H new ATOM 0 HG3 GLN A 8 6.494 -14.051 -2.024 1.00 41.45 H new ATOM 0 HE21 GLN A 8 7.947 -15.598 -2.399 1.00 20.53 H new ATOM 0 HE22 GLN A 8 9.699 -15.420 -2.255 1.00 20.53 H new ATOM 142 N ASN A 9 5.055 -12.572 -5.202 1.00 11.44 N ATOM 143 CA ASN A 9 3.918 -13.266 -5.797 1.00 5.43 C ATOM 144 C ASN A 9 4.312 -13.921 -7.117 1.00 51.21 C ATOM 145 O ASN A 9 3.712 -14.911 -7.534 1.00 1.21 O ATOM 146 CB ASN A 9 2.761 -12.291 -6.023 1.00 32.21 C ATOM 147 CG ASN A 9 1.468 -12.772 -5.392 1.00 25.23 C ATOM 148 OD1 ASN A 9 0.772 -12.011 -4.720 1.00 20.32 O ATOM 149 ND2 ASN A 9 1.142 -14.042 -5.605 1.00 45.35 N ATOM 0 H ASN A 9 4.946 -11.560 -5.141 1.00 11.44 H new ATOM 0 HA ASN A 9 3.597 -14.046 -5.106 1.00 5.43 H new ATOM 0 HB2 ASN A 9 3.024 -11.317 -5.609 1.00 32.21 H new ATOM 0 HB3 ASN A 9 2.610 -12.152 -7.094 1.00 32.21 H new ATOM 0 HD21 ASN A 9 0.284 -14.422 -5.205 1.00 45.35 H new ATOM 0 HD22 ASN A 9 1.749 -14.637 -6.169 1.00 45.35 H new ATOM 156 N GLY A 10 5.325 -13.361 -7.771 1.00 3.31 N ATOM 157 CA GLY A 10 5.782 -13.904 -9.037 1.00 1.32 C ATOM 158 C GLY A 10 6.907 -14.905 -8.866 1.00 45.40 C ATOM 159 O GLY A 10 7.141 -15.739 -9.739 1.00 61.54 O ATOM 0 H GLY A 10 5.837 -12.541 -7.447 1.00 3.31 H new ATOM 0 HA2 GLY A 10 4.946 -14.385 -9.546 1.00 1.32 H new ATOM 0 HA3 GLY A 10 6.119 -13.089 -9.678 1.00 1.32 H new ATOM 163 N GLN A 11 7.607 -14.820 -7.739 1.00 51.30 N ATOM 164 CA GLN A 11 8.716 -15.724 -7.459 1.00 34.34 C ATOM 165 C GLN A 11 8.217 -17.014 -6.816 1.00 74.30 C ATOM 166 O GLN A 11 8.831 -18.072 -6.962 1.00 12.32 O ATOM 167 CB GLN A 11 9.736 -15.046 -6.543 1.00 11.21 C ATOM 168 CG GLN A 11 10.363 -13.801 -7.148 1.00 44.43 C ATOM 169 CD GLN A 11 11.560 -14.117 -8.024 1.00 1.44 C ATOM 170 OE1 GLN A 11 11.665 -15.210 -8.580 1.00 25.23 O ATOM 171 NE2 GLN A 11 12.470 -13.158 -8.151 1.00 24.32 N ATOM 0 H GLN A 11 7.426 -14.135 -7.006 1.00 51.30 H new ATOM 0 HA GLN A 11 9.197 -15.973 -8.405 1.00 34.34 H new ATOM 0 HB2 GLN A 11 9.249 -14.778 -5.605 1.00 11.21 H new ATOM 0 HB3 GLN A 11 10.524 -15.759 -6.300 1.00 11.21 H new ATOM 0 HG2 GLN A 11 9.615 -13.272 -7.739 1.00 44.43 H new ATOM 0 HG3 GLN A 11 10.671 -13.128 -6.348 1.00 44.43 H new ATOM 0 HE21 GLN A 11 12.342 -12.267 -7.672 1.00 24.32 H new ATOM 0 HE22 GLN A 11 13.297 -13.313 -8.728 1.00 24.32 H new ATOM 180 N THR A 12 7.098 -16.921 -6.103 1.00 42.43 N ATOM 181 CA THR A 12 6.517 -18.079 -5.437 1.00 23.21 C ATOM 182 C THR A 12 6.161 -19.169 -6.441 1.00 33.51 C ATOM 183 O THR A 12 6.205 -20.358 -6.122 1.00 75.11 O ATOM 184 CB THR A 12 5.255 -17.696 -4.643 1.00 15.25 C ATOM 185 OG1 THR A 12 4.799 -18.816 -3.875 1.00 64.04 O ATOM 186 CG2 THR A 12 4.148 -17.231 -5.577 1.00 34.31 C ATOM 0 H THR A 12 6.576 -16.054 -5.973 1.00 42.43 H new ATOM 0 HA THR A 12 7.270 -18.457 -4.746 1.00 23.21 H new ATOM 0 HB THR A 12 5.511 -16.876 -3.972 1.00 15.25 H new ATOM 0 HG1 THR A 12 3.997 -18.563 -3.372 1.00 64.04 H new ATOM 0 HG21 THR A 12 3.267 -16.966 -4.993 1.00 34.31 H new ATOM 0 HG22 THR A 12 4.487 -16.360 -6.138 1.00 34.31 H new ATOM 0 HG23 THR A 12 3.896 -18.033 -6.270 1.00 34.31 H new ATOM 194 N ILE A 13 5.809 -18.758 -7.654 1.00 52.22 N ATOM 195 CA ILE A 13 5.447 -19.701 -8.705 1.00 54.31 C ATOM 196 C ILE A 13 6.659 -20.073 -9.552 1.00 1.33 C ATOM 197 O ILE A 13 6.801 -21.217 -9.984 1.00 13.13 O ATOM 198 CB ILE A 13 4.350 -19.127 -9.622 1.00 64.55 C ATOM 199 CG1 ILE A 13 3.143 -18.683 -8.794 1.00 51.15 C ATOM 200 CG2 ILE A 13 3.936 -20.159 -10.661 1.00 43.13 C ATOM 201 CD1 ILE A 13 2.518 -19.801 -7.989 1.00 51.53 C ATOM 0 H ILE A 13 5.767 -17.778 -7.934 1.00 52.22 H new ATOM 0 HA ILE A 13 5.066 -20.594 -8.210 1.00 54.31 H new ATOM 0 HB ILE A 13 4.750 -18.256 -10.142 1.00 64.55 H new ATOM 0 HG12 ILE A 13 3.451 -17.886 -8.116 1.00 51.15 H new ATOM 0 HG13 ILE A 13 2.391 -18.262 -9.461 1.00 51.15 H new ATOM 0 HG21 ILE A 13 3.160 -19.739 -11.302 1.00 43.13 H new ATOM 0 HG22 ILE A 13 4.800 -20.431 -11.268 1.00 43.13 H new ATOM 0 HG23 ILE A 13 3.551 -21.047 -10.159 1.00 43.13 H new ATOM 0 HD11 ILE A 13 1.668 -19.414 -7.427 1.00 51.53 H new ATOM 0 HD12 ILE A 13 2.179 -20.589 -8.662 1.00 51.53 H new ATOM 0 HD13 ILE A 13 3.256 -20.208 -7.297 1.00 51.53 H new ATOM 213 N PHE A 14 7.533 -19.099 -9.784 1.00 10.21 N ATOM 214 CA PHE A 14 8.735 -19.324 -10.578 1.00 40.43 C ATOM 215 C PHE A 14 9.696 -20.263 -9.856 1.00 63.22 C ATOM 216 O PHE A 14 10.077 -21.307 -10.386 1.00 51.15 O ATOM 217 CB PHE A 14 9.431 -17.994 -10.876 1.00 61.03 C ATOM 218 CG PHE A 14 10.423 -18.076 -12.001 1.00 41.41 C ATOM 219 CD1 PHE A 14 11.606 -18.782 -11.850 1.00 14.44 C ATOM 220 CD2 PHE A 14 10.173 -17.446 -13.210 1.00 4.23 C ATOM 221 CE1 PHE A 14 12.521 -18.859 -12.883 1.00 34.12 C ATOM 222 CE2 PHE A 14 11.084 -17.520 -14.246 1.00 63.15 C ATOM 223 CZ PHE A 14 12.260 -18.226 -14.082 1.00 71.54 C ATOM 0 H PHE A 14 7.431 -18.147 -9.433 1.00 10.21 H new ATOM 0 HA PHE A 14 8.438 -19.789 -11.518 1.00 40.43 H new ATOM 0 HB2 PHE A 14 8.677 -17.245 -11.120 1.00 61.03 H new ATOM 0 HB3 PHE A 14 9.941 -17.650 -9.976 1.00 61.03 H new ATOM 0 HD1 PHE A 14 11.815 -19.278 -10.914 1.00 14.44 H new ATOM 0 HD2 PHE A 14 9.256 -16.891 -13.344 1.00 4.23 H new ATOM 0 HE1 PHE A 14 13.439 -19.413 -12.753 1.00 34.12 H new ATOM 0 HE2 PHE A 14 10.877 -17.026 -15.184 1.00 63.15 H new ATOM 0 HZ PHE A 14 12.974 -18.283 -14.890 1.00 71.54 H new ATOM 233 N SER A 15 10.085 -19.884 -8.643 1.00 64.21 N ATOM 234 CA SER A 15 11.006 -20.690 -7.849 1.00 13.30 C ATOM 235 C SER A 15 10.435 -22.083 -7.603 1.00 72.02 C ATOM 236 O SER A 15 11.171 -23.068 -7.559 1.00 32.31 O ATOM 237 CB SER A 15 11.296 -20.002 -6.513 1.00 64.44 C ATOM 238 OG SER A 15 12.591 -20.333 -6.041 1.00 50.51 O ATOM 0 H SER A 15 9.777 -19.024 -8.188 1.00 64.21 H new ATOM 0 HA SER A 15 11.936 -20.791 -8.408 1.00 13.30 H new ATOM 0 HB2 SER A 15 11.213 -18.922 -6.631 1.00 64.44 H new ATOM 0 HB3 SER A 15 10.550 -20.300 -5.777 1.00 64.44 H new ATOM 0 HG SER A 15 12.754 -19.880 -5.187 1.00 50.51 H new ATOM 244 N ALA A 16 9.117 -22.156 -7.444 1.00 64.20 N ATOM 245 CA ALA A 16 8.446 -23.428 -7.205 1.00 3.23 C ATOM 246 C ALA A 16 8.433 -24.287 -8.464 1.00 60.14 C ATOM 247 O ALA A 16 8.354 -25.513 -8.391 1.00 2.42 O ATOM 248 CB ALA A 16 7.027 -23.191 -6.710 1.00 41.32 C ATOM 0 H ALA A 16 8.493 -21.349 -7.476 1.00 64.20 H new ATOM 0 HA ALA A 16 9.002 -23.965 -6.437 1.00 3.23 H new ATOM 0 HB1 ALA A 16 6.538 -24.149 -6.536 1.00 41.32 H new ATOM 0 HB2 ALA A 16 7.056 -22.624 -5.780 1.00 41.32 H new ATOM 0 HB3 ALA A 16 6.469 -22.630 -7.460 1.00 41.32 H new ATOM 254 N GLY A 17 8.510 -23.635 -9.621 1.00 30.41 N ATOM 255 CA GLY A 17 8.504 -24.356 -10.880 1.00 63.34 C ATOM 256 C GLY A 17 9.675 -25.311 -11.007 1.00 74.21 C ATOM 257 O GLY A 17 9.612 -26.282 -11.761 1.00 2.10 O ATOM 0 H GLY A 17 8.576 -22.621 -9.708 1.00 30.41 H new ATOM 0 HA2 GLY A 17 7.572 -24.914 -10.971 1.00 63.34 H new ATOM 0 HA3 GLY A 17 8.530 -23.643 -11.704 1.00 63.34 H new ATOM 261 N GLN A 18 10.745 -25.035 -10.269 1.00 52.50 N ATOM 262 CA GLN A 18 11.935 -25.876 -10.305 1.00 1.12 C ATOM 263 C GLN A 18 11.834 -27.005 -9.285 1.00 22.40 C ATOM 264 O GLN A 18 12.281 -28.125 -9.536 1.00 53.01 O ATOM 265 CB GLN A 18 13.186 -25.038 -10.033 1.00 71.24 C ATOM 266 CG GLN A 18 13.351 -23.866 -10.987 1.00 4.44 C ATOM 267 CD GLN A 18 13.407 -24.297 -12.439 1.00 32.32 C ATOM 268 OE1 GLN A 18 13.742 -25.442 -12.746 1.00 14.22 O ATOM 269 NE2 GLN A 18 13.078 -23.381 -13.342 1.00 34.20 N ATOM 0 H GLN A 18 10.812 -24.236 -9.639 1.00 52.50 H new ATOM 0 HA GLN A 18 12.009 -26.315 -11.300 1.00 1.12 H new ATOM 0 HB2 GLN A 18 13.146 -24.661 -9.011 1.00 71.24 H new ATOM 0 HB3 GLN A 18 14.065 -25.679 -10.102 1.00 71.24 H new ATOM 0 HG2 GLN A 18 12.522 -23.172 -10.850 1.00 4.44 H new ATOM 0 HG3 GLN A 18 14.264 -23.325 -10.737 1.00 4.44 H new ATOM 0 HE21 GLN A 18 12.807 -22.444 -13.043 1.00 34.20 H new ATOM 0 HE22 GLN A 18 13.097 -23.614 -14.335 1.00 34.20 H new ATOM 278 N LYS A 19 11.245 -26.705 -8.133 1.00 13.32 N ATOM 279 CA LYS A 19 11.084 -27.694 -7.074 1.00 74.10 C ATOM 280 C LYS A 19 9.967 -28.676 -7.413 1.00 32.34 C ATOM 281 O LYS A 19 10.037 -29.856 -7.066 1.00 25.22 O ATOM 282 CB LYS A 19 10.783 -27.002 -5.743 1.00 35.24 C ATOM 283 CG LYS A 19 11.852 -26.011 -5.317 1.00 14.21 C ATOM 284 CD LYS A 19 13.007 -26.704 -4.615 1.00 20.04 C ATOM 285 CE LYS A 19 13.952 -25.700 -3.972 1.00 60.04 C ATOM 286 NZ LYS A 19 13.318 -24.999 -2.821 1.00 62.53 N ATOM 0 H LYS A 19 10.871 -25.783 -7.909 1.00 13.32 H new ATOM 0 HA LYS A 19 12.018 -28.249 -6.984 1.00 74.10 H new ATOM 0 HB2 LYS A 19 9.828 -26.482 -5.821 1.00 35.24 H new ATOM 0 HB3 LYS A 19 10.671 -27.759 -4.967 1.00 35.24 H new ATOM 0 HG2 LYS A 19 12.224 -25.478 -6.192 1.00 14.21 H new ATOM 0 HG3 LYS A 19 11.415 -25.266 -4.652 1.00 14.21 H new ATOM 0 HD2 LYS A 19 12.618 -27.379 -3.853 1.00 20.04 H new ATOM 0 HD3 LYS A 19 13.556 -27.315 -5.332 1.00 20.04 H new ATOM 0 HE2 LYS A 19 14.852 -26.214 -3.633 1.00 60.04 H new ATOM 0 HE3 LYS A 19 14.264 -24.967 -4.716 1.00 60.04 H new ATOM 0 HZ1 LYS A 19 14.053 -24.536 -2.249 1.00 62.53 H new ATOM 0 HZ2 LYS A 19 12.652 -24.283 -3.175 1.00 62.53 H new ATOM 0 HZ3 LYS A 19 12.806 -25.688 -2.234 1.00 62.53 H new ATOM 300 N LEU A 20 8.938 -28.183 -8.092 1.00 74.24 N ATOM 301 CA LEU A 20 7.806 -29.018 -8.480 1.00 32.24 C ATOM 302 C LEU A 20 8.053 -29.676 -9.833 1.00 74.44 C ATOM 303 O LEU A 20 7.158 -30.297 -10.406 1.00 32.13 O ATOM 304 CB LEU A 20 6.525 -28.183 -8.532 1.00 30.45 C ATOM 305 CG LEU A 20 5.705 -28.132 -7.242 1.00 51.40 C ATOM 306 CD1 LEU A 20 5.141 -29.505 -6.912 1.00 64.12 C ATOM 307 CD2 LEU A 20 6.553 -27.611 -6.091 1.00 42.31 C ATOM 0 H LEU A 20 8.864 -27.209 -8.386 1.00 74.24 H new ATOM 0 HA LEU A 20 7.691 -29.802 -7.731 1.00 32.24 H new ATOM 0 HB2 LEU A 20 6.791 -27.163 -8.811 1.00 30.45 H new ATOM 0 HB3 LEU A 20 5.891 -28.576 -9.327 1.00 30.45 H new ATOM 0 HG LEU A 20 4.871 -27.446 -7.392 1.00 51.40 H new ATOM 0 HD11 LEU A 20 4.561 -29.448 -5.991 1.00 64.12 H new ATOM 0 HD12 LEU A 20 4.498 -29.839 -7.726 1.00 64.12 H new ATOM 0 HD13 LEU A 20 5.960 -30.213 -6.782 1.00 64.12 H new ATOM 0 HD21 LEU A 20 5.953 -27.582 -5.181 1.00 42.31 H new ATOM 0 HD22 LEU A 20 7.408 -28.271 -5.941 1.00 42.31 H new ATOM 0 HD23 LEU A 20 6.907 -26.607 -6.325 1.00 42.31 H new ATOM 319 N GLY A 21 9.274 -29.538 -10.339 1.00 44.33 N ATOM 320 CA GLY A 21 9.618 -30.126 -11.621 1.00 12.22 C ATOM 321 C GLY A 21 11.034 -30.666 -11.650 1.00 34.52 C ATOM 322 O GLY A 21 11.552 -31.010 -12.711 1.00 42.32 O ATOM 0 H GLY A 21 10.032 -29.029 -9.884 1.00 44.33 H new ATOM 0 HA2 GLY A 21 8.920 -30.933 -11.846 1.00 12.22 H new ATOM 0 HA3 GLY A 21 9.502 -29.376 -12.404 1.00 12.22 H new ATOM 326 N ASN A 22 11.661 -30.741 -10.481 1.00 1.15 N ATOM 327 CA ASN A 22 13.027 -31.242 -10.377 1.00 11.55 C ATOM 328 C ASN A 22 13.045 -32.766 -10.330 1.00 63.42 C ATOM 329 O ASN A 22 13.687 -33.415 -11.156 1.00 40.32 O ATOM 330 CB ASN A 22 13.707 -30.674 -9.129 1.00 13.12 C ATOM 331 CG ASN A 22 14.950 -31.452 -8.743 1.00 41.24 C ATOM 332 OD1 ASN A 22 14.875 -32.447 -8.022 1.00 52.40 O ATOM 333 ND2 ASN A 22 16.103 -31.000 -9.224 1.00 32.40 N ATOM 0 H ASN A 22 11.245 -30.461 -9.592 1.00 1.15 H new ATOM 0 HA ASN A 22 13.575 -30.917 -11.261 1.00 11.55 H new ATOM 0 HB2 ASN A 22 13.974 -29.632 -9.307 1.00 13.12 H new ATOM 0 HB3 ASN A 22 13.002 -30.685 -8.298 1.00 13.12 H new ATOM 0 HD21 ASN A 22 16.973 -31.482 -8.999 1.00 32.40 H new ATOM 0 HD22 ASN A 22 16.118 -30.171 -9.818 1.00 32.40 H new ATOM 340 N MET A 23 12.336 -33.332 -9.359 1.00 3.02 N ATOM 341 CA MET A 23 12.270 -34.781 -9.206 1.00 13.30 C ATOM 342 C MET A 23 11.417 -35.405 -10.306 1.00 45.14 C ATOM 343 O MET A 23 11.547 -36.591 -10.608 1.00 63.42 O ATOM 344 CB MET A 23 11.698 -35.145 -7.834 1.00 45.51 C ATOM 345 CG MET A 23 10.314 -34.570 -7.580 1.00 44.42 C ATOM 346 SD MET A 23 8.994 -35.699 -8.062 1.00 40.23 S ATOM 347 CE MET A 23 7.906 -35.573 -6.645 1.00 2.40 C ATOM 0 H MET A 23 11.799 -32.810 -8.667 1.00 3.02 H new ATOM 0 HA MET A 23 13.283 -35.176 -9.286 1.00 13.30 H new ATOM 0 HB2 MET A 23 11.653 -36.230 -7.745 1.00 45.51 H new ATOM 0 HB3 MET A 23 12.378 -34.789 -7.060 1.00 45.51 H new ATOM 0 HG2 MET A 23 10.213 -34.330 -6.522 1.00 44.42 H new ATOM 0 HG3 MET A 23 10.206 -33.635 -8.130 1.00 44.42 H new ATOM 0 HE1 MET A 23 7.039 -36.217 -6.794 1.00 2.40 H new ATOM 0 HE2 MET A 23 8.440 -35.885 -5.747 1.00 2.40 H new ATOM 0 HE3 MET A 23 7.576 -34.541 -6.530 1.00 2.40 H new ATOM 357 N VAL A 24 10.545 -34.598 -10.903 1.00 22.33 N ATOM 358 CA VAL A 24 9.672 -35.072 -11.970 1.00 42.32 C ATOM 359 C VAL A 24 10.467 -35.381 -13.234 1.00 2.51 C ATOM 360 O VAL A 24 10.450 -36.505 -13.732 1.00 35.43 O ATOM 361 CB VAL A 24 8.581 -34.037 -12.303 1.00 41.13 C ATOM 362 CG1 VAL A 24 7.501 -34.661 -13.174 1.00 44.34 C ATOM 363 CG2 VAL A 24 7.983 -33.464 -11.027 1.00 63.12 C ATOM 0 H VAL A 24 10.425 -33.613 -10.666 1.00 22.33 H new ATOM 0 HA VAL A 24 9.198 -35.985 -11.610 1.00 42.32 H new ATOM 0 HB VAL A 24 9.038 -33.220 -12.862 1.00 41.13 H new ATOM 0 HG11 VAL A 24 6.739 -33.915 -13.399 1.00 44.34 H new ATOM 0 HG12 VAL A 24 7.944 -35.018 -14.103 1.00 44.34 H new ATOM 0 HG13 VAL A 24 7.045 -35.497 -12.645 1.00 44.34 H new ATOM 0 HG21 VAL A 24 7.214 -32.735 -11.281 1.00 63.12 H new ATOM 0 HG22 VAL A 24 7.540 -34.268 -10.440 1.00 63.12 H new ATOM 0 HG23 VAL A 24 8.766 -32.978 -10.445 1.00 63.12 H new ATOM 373 N GLY A 25 11.165 -34.373 -13.749 1.00 3.34 N ATOM 374 CA GLY A 25 11.958 -34.557 -14.950 1.00 51.32 C ATOM 375 C GLY A 25 13.239 -35.324 -14.688 1.00 53.01 C ATOM 376 O GLY A 25 13.986 -35.636 -15.616 1.00 10.53 O ATOM 0 H GLY A 25 11.195 -33.432 -13.356 1.00 3.34 H new ATOM 0 HA2 GLY A 25 11.366 -35.089 -15.695 1.00 51.32 H new ATOM 0 HA3 GLY A 25 12.202 -33.583 -15.373 1.00 51.32 H new ATOM 380 N LYS A 26 13.495 -35.629 -13.421 1.00 1.35 N ATOM 381 CA LYS A 26 14.695 -36.364 -13.037 1.00 55.23 C ATOM 382 C LYS A 26 14.455 -37.869 -13.103 1.00 54.34 C ATOM 383 O LYS A 26 13.370 -38.349 -12.773 1.00 10.34 O ATOM 384 CB LYS A 26 15.131 -35.968 -11.625 1.00 11.20 C ATOM 385 CG LYS A 26 16.165 -34.855 -11.597 1.00 74.23 C ATOM 386 CD LYS A 26 17.522 -35.343 -12.074 1.00 61.35 C ATOM 387 CE LYS A 26 18.351 -35.895 -10.925 1.00 65.42 C ATOM 388 NZ LYS A 26 19.548 -36.637 -11.411 1.00 20.01 N ATOM 0 H LYS A 26 12.887 -35.378 -12.641 1.00 1.35 H new ATOM 0 HA LYS A 26 15.488 -36.109 -13.740 1.00 55.23 H new ATOM 0 HB2 LYS A 26 14.255 -35.653 -11.058 1.00 11.20 H new ATOM 0 HB3 LYS A 26 15.539 -36.844 -11.121 1.00 11.20 H new ATOM 0 HG2 LYS A 26 15.831 -34.031 -12.228 1.00 74.23 H new ATOM 0 HG3 LYS A 26 16.253 -34.465 -10.583 1.00 74.23 H new ATOM 0 HD2 LYS A 26 17.387 -36.116 -12.831 1.00 61.35 H new ATOM 0 HD3 LYS A 26 18.059 -34.522 -12.550 1.00 61.35 H new ATOM 0 HE2 LYS A 26 18.669 -35.076 -10.280 1.00 65.42 H new ATOM 0 HE3 LYS A 26 17.734 -36.558 -10.318 1.00 65.42 H new ATOM 0 HZ1 LYS A 26 20.087 -36.997 -10.598 1.00 20.01 H new ATOM 0 HZ2 LYS A 26 19.244 -37.434 -12.006 1.00 20.01 H new ATOM 0 HZ3 LYS A 26 20.150 -35.998 -11.969 1.00 20.01 H new ATOM 402 N ILE A 27 15.473 -38.607 -13.531 1.00 20.30 N ATOM 403 CA ILE A 27 15.373 -40.058 -13.637 1.00 54.43 C ATOM 404 C ILE A 27 15.023 -40.685 -12.292 1.00 4.42 C ATOM 405 O ILE A 27 15.237 -40.082 -11.240 1.00 0.03 O ATOM 406 CB ILE A 27 16.685 -40.676 -14.154 1.00 72.43 C ATOM 407 CG1 ILE A 27 17.877 -40.131 -13.365 1.00 32.31 C ATOM 408 CG2 ILE A 27 16.853 -40.396 -15.640 1.00 4.20 C ATOM 409 CD1 ILE A 27 19.042 -41.093 -13.290 1.00 2.14 C ATOM 0 H ILE A 27 16.377 -38.225 -13.810 1.00 20.30 H new ATOM 0 HA ILE A 27 14.576 -40.268 -14.351 1.00 54.43 H new ATOM 0 HB ILE A 27 16.642 -41.756 -14.010 1.00 72.43 H new ATOM 0 HG12 ILE A 27 18.213 -39.202 -13.825 1.00 32.31 H new ATOM 0 HG13 ILE A 27 17.552 -39.887 -12.354 1.00 32.31 H new ATOM 0 HG21 ILE A 27 17.785 -40.839 -15.991 1.00 4.20 H new ATOM 0 HG22 ILE A 27 16.016 -40.829 -16.189 1.00 4.20 H new ATOM 0 HG23 ILE A 27 16.878 -39.319 -15.807 1.00 4.20 H new ATOM 0 HD11 ILE A 27 19.851 -40.641 -12.716 1.00 2.14 H new ATOM 0 HD12 ILE A 27 18.722 -42.014 -12.803 1.00 2.14 H new ATOM 0 HD13 ILE A 27 19.393 -41.318 -14.297 1.00 2.14 H new ATOM 421 N VAL A 28 14.486 -41.900 -12.333 1.00 4.21 N ATOM 422 CA VAL A 28 14.110 -42.611 -11.117 1.00 1.10 C ATOM 423 C VAL A 28 15.265 -42.648 -10.122 1.00 52.22 C ATOM 424 O VAL A 28 16.435 -42.538 -10.488 1.00 4.04 O ATOM 425 CB VAL A 28 13.666 -44.053 -11.425 1.00 30.21 C ATOM 426 CG1 VAL A 28 12.257 -44.068 -11.997 1.00 53.51 C ATOM 427 CG2 VAL A 28 14.645 -44.719 -12.380 1.00 31.31 C ATOM 0 H VAL A 28 14.302 -42.413 -13.195 1.00 4.21 H new ATOM 0 HA VAL A 28 13.274 -42.067 -10.678 1.00 1.10 H new ATOM 0 HB VAL A 28 13.660 -44.619 -10.494 1.00 30.21 H new ATOM 0 HG11 VAL A 28 11.961 -45.096 -12.208 1.00 53.51 H new ATOM 0 HG12 VAL A 28 11.566 -43.633 -11.275 1.00 53.51 H new ATOM 0 HG13 VAL A 28 12.232 -43.487 -12.919 1.00 53.51 H new ATOM 0 HG21 VAL A 28 14.316 -45.737 -12.587 1.00 31.31 H new ATOM 0 HG22 VAL A 28 14.686 -44.155 -13.312 1.00 31.31 H new ATOM 0 HG23 VAL A 28 15.636 -44.743 -11.927 1.00 31.31 H new ATOM 437 N PRO A 29 14.930 -42.807 -8.833 1.00 43.51 N ATOM 438 CA PRO A 29 15.925 -42.863 -7.758 1.00 45.22 C ATOM 439 C PRO A 29 16.755 -44.142 -7.802 1.00 54.21 C ATOM 440 O PRO A 29 17.947 -44.132 -7.494 1.00 1.32 O ATOM 441 CB PRO A 29 15.076 -42.820 -6.486 1.00 11.34 C ATOM 442 CG PRO A 29 13.752 -43.365 -6.896 1.00 33.44 C ATOM 443 CD PRO A 29 13.555 -42.944 -8.326 1.00 11.05 C ATOM 0 HA PRO A 29 16.649 -42.052 -7.831 1.00 45.22 H new ATOM 0 HB2 PRO A 29 15.522 -43.419 -5.692 1.00 11.34 H new ATOM 0 HB3 PRO A 29 14.985 -41.803 -6.105 1.00 11.34 H new ATOM 0 HG2 PRO A 29 13.731 -44.451 -6.803 1.00 33.44 H new ATOM 0 HG3 PRO A 29 12.956 -42.975 -6.261 1.00 33.44 H new ATOM 0 HD2 PRO A 29 12.991 -43.687 -8.890 1.00 11.05 H new ATOM 0 HD3 PRO A 29 13.005 -42.005 -8.397 1.00 11.05 H new ATOM 451 N LEU A 30 16.117 -45.242 -8.187 1.00 51.43 N ATOM 452 CA LEU A 30 16.796 -46.530 -8.272 1.00 42.23 C ATOM 453 C LEU A 30 16.638 -47.138 -9.662 1.00 61.21 C ATOM 454 O LEU A 30 15.892 -48.096 -9.866 1.00 71.01 O ATOM 455 CB LEU A 30 16.245 -47.490 -7.217 1.00 33.10 C ATOM 456 CG LEU A 30 16.482 -47.094 -5.759 1.00 44.14 C ATOM 457 CD1 LEU A 30 15.514 -47.825 -4.843 1.00 23.53 C ATOM 458 CD2 LEU A 30 17.922 -47.381 -5.357 1.00 35.04 C ATOM 0 H LEU A 30 15.131 -45.268 -8.445 1.00 51.43 H new ATOM 0 HA LEU A 30 17.857 -46.366 -8.086 1.00 42.23 H new ATOM 0 HB2 LEU A 30 15.171 -47.594 -7.374 1.00 33.10 H new ATOM 0 HB3 LEU A 30 16.688 -48.472 -7.382 1.00 33.10 H new ATOM 0 HG LEU A 30 16.304 -46.023 -5.659 1.00 44.14 H new ATOM 0 HD11 LEU A 30 15.698 -47.530 -3.810 1.00 23.53 H new ATOM 0 HD12 LEU A 30 14.490 -47.569 -5.117 1.00 23.53 H new ATOM 0 HD13 LEU A 30 15.659 -48.901 -4.945 1.00 23.53 H new ATOM 0 HD21 LEU A 30 18.074 -47.093 -4.317 1.00 35.04 H new ATOM 0 HD22 LEU A 30 18.127 -48.445 -5.473 1.00 35.04 H new ATOM 0 HD23 LEU A 30 18.598 -46.810 -5.993 1.00 35.04 H new ATOM 470 N PRO A 31 17.358 -46.572 -10.642 1.00 10.42 N ATOM 471 CA PRO A 31 17.317 -47.044 -12.029 1.00 13.20 C ATOM 472 C PRO A 31 17.979 -48.407 -12.197 1.00 73.03 C ATOM 473 O PRO A 31 19.202 -48.528 -12.124 1.00 52.44 O ATOM 474 CB PRO A 31 18.099 -45.972 -12.792 1.00 13.30 C ATOM 475 CG PRO A 31 19.011 -45.374 -11.777 1.00 52.21 C ATOM 476 CD PRO A 31 18.268 -45.427 -10.471 1.00 2.24 C ATOM 0 HA PRO A 31 16.295 -47.179 -12.384 1.00 13.20 H new ATOM 0 HB2 PRO A 31 18.659 -46.405 -13.621 1.00 13.30 H new ATOM 0 HB3 PRO A 31 17.432 -45.221 -13.216 1.00 13.30 H new ATOM 0 HG2 PRO A 31 19.946 -45.930 -11.717 1.00 52.21 H new ATOM 0 HG3 PRO A 31 19.267 -44.347 -12.039 1.00 52.21 H new ATOM 0 HD2 PRO A 31 18.945 -45.574 -9.629 1.00 2.24 H new ATOM 0 HD3 PRO A 31 17.721 -44.503 -10.282 1.00 2.24 H new ATOM 484 N PHE A 32 17.163 -49.432 -12.423 1.00 43.21 N ATOM 485 CA PHE A 32 17.670 -50.787 -12.601 1.00 64.44 C ATOM 486 C PHE A 32 18.569 -50.874 -13.831 1.00 62.55 C ATOM 487 O PHE A 32 18.092 -51.055 -14.951 1.00 21.21 O ATOM 488 CB PHE A 32 16.510 -51.776 -12.733 1.00 13.41 C ATOM 489 CG PHE A 32 15.670 -51.882 -11.492 1.00 55.05 C ATOM 490 CD1 PHE A 32 14.406 -51.316 -11.445 1.00 52.01 C ATOM 491 CD2 PHE A 32 16.144 -52.548 -10.374 1.00 12.44 C ATOM 492 CE1 PHE A 32 13.630 -51.412 -10.305 1.00 72.33 C ATOM 493 CE2 PHE A 32 15.372 -52.648 -9.231 1.00 43.53 C ATOM 494 CZ PHE A 32 14.114 -52.078 -9.197 1.00 23.24 C ATOM 0 H PHE A 32 16.148 -49.349 -12.487 1.00 43.21 H new ATOM 0 HA PHE A 32 18.260 -51.045 -11.722 1.00 64.44 H new ATOM 0 HB2 PHE A 32 15.877 -51.472 -13.566 1.00 13.41 H new ATOM 0 HB3 PHE A 32 16.908 -52.761 -12.978 1.00 13.41 H new ATOM 0 HD1 PHE A 32 14.023 -50.794 -12.309 1.00 52.01 H new ATOM 0 HD2 PHE A 32 17.127 -52.994 -10.395 1.00 12.44 H new ATOM 0 HE1 PHE A 32 12.646 -50.967 -10.281 1.00 72.33 H new ATOM 0 HE2 PHE A 32 15.752 -53.171 -8.366 1.00 43.53 H new ATOM 0 HZ PHE A 32 13.510 -52.153 -8.305 1.00 23.24 H new ATOM 504 N GLY A 33 19.874 -50.744 -13.614 1.00 44.30 N ATOM 505 CA GLY A 33 20.820 -50.809 -14.713 1.00 72.51 C ATOM 506 C GLY A 33 21.444 -52.183 -14.859 1.00 41.04 C ATOM 507 O GLY A 33 20.750 -53.197 -14.797 1.00 73.44 O ATOM 0 H GLY A 33 20.293 -50.595 -12.696 1.00 44.30 H new ATOM 0 HA2 GLY A 33 20.314 -50.543 -15.641 1.00 72.51 H new ATOM 0 HA3 GLY A 33 21.606 -50.071 -14.556 1.00 72.51 H new TER 511 GLY A 33