USER MOD reduce.3.24.130724 H: found=0, std=0, add=259, rem=0, adj=3 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+ 150:sc= 0.821 (180deg=0.31) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -0.0028 X(o=-0.0028,f=-0.32) USER MOD Single : A 9 ASN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 11 GLN : amide:sc= -1.45 K(o=-1.5,f=-0.28) 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= -0.201 K(o=-0.2,f=-0.73) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.41) 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 7.055 -4.843 2.432 1.00 60.44 N ATOM 2 CA TRP A 1 5.786 -5.235 1.828 1.00 44.13 C ATOM 3 C TRP A 1 5.551 -4.485 0.521 1.00 64.51 C ATOM 4 O TRP A 1 5.718 -3.268 0.454 1.00 61.53 O ATOM 5 CB TRP A 1 4.633 -4.969 2.797 1.00 62.43 C ATOM 6 CG TRP A 1 4.728 -5.763 4.065 1.00 70.25 C ATOM 7 CD1 TRP A 1 5.553 -5.518 5.125 1.00 34.22 C ATOM 8 CD2 TRP A 1 3.972 -6.931 4.403 1.00 62.32 C ATOM 9 NE1 TRP A 1 5.355 -6.464 6.103 1.00 50.45 N ATOM 10 CE2 TRP A 1 4.390 -7.341 5.684 1.00 20.21 C ATOM 11 CE3 TRP A 1 2.982 -7.669 3.749 1.00 30.52 C ATOM 12 CZ2 TRP A 1 3.852 -8.456 6.321 1.00 71.32 C ATOM 13 CZ3 TRP A 1 2.449 -8.776 4.382 1.00 21.14 C ATOM 14 CH2 TRP A 1 2.884 -9.161 5.658 1.00 40.43 C ATOM 0 H1 TRP A 1 6.987 -4.926 3.466 1.00 60.44 H new ATOM 0 H2 TRP A 1 7.812 -5.465 2.083 1.00 60.44 H new ATOM 0 H3 TRP A 1 7.271 -3.858 2.177 1.00 60.44 H new ATOM 0 HA TRP A 1 5.830 -6.302 1.610 1.00 44.13 H new ATOM 0 HB2 TRP A 1 4.612 -3.907 3.042 1.00 62.43 H new ATOM 0 HB3 TRP A 1 3.690 -5.201 2.301 1.00 62.43 H new ATOM 0 HD1 TRP A 1 6.257 -4.702 5.186 1.00 34.22 H new ATOM 0 HE1 TRP A 1 5.847 -6.506 6.996 1.00 50.45 H new ATOM 0 HE3 TRP A 1 2.639 -7.380 2.767 1.00 30.52 H new ATOM 0 HZ2 TRP A 1 4.187 -8.754 7.304 1.00 71.32 H new ATOM 0 HZ3 TRP A 1 1.684 -9.354 3.885 1.00 21.14 H new ATOM 0 HH2 TRP A 1 2.447 -10.030 6.127 1.00 40.43 H new ATOM 25 N GLY A 2 5.163 -5.221 -0.517 1.00 12.33 N ATOM 26 CA GLY A 2 4.911 -4.607 -1.808 1.00 22.43 C ATOM 27 C GLY A 2 5.227 -5.537 -2.963 1.00 4.14 C ATOM 28 O GLY A 2 4.953 -6.735 -2.896 1.00 62.14 O ATOM 0 H GLY A 2 5.019 -6.230 -0.487 1.00 12.33 H new ATOM 0 HA2 GLY A 2 3.866 -4.304 -1.865 1.00 22.43 H new ATOM 0 HA3 GLY A 2 5.511 -3.702 -1.900 1.00 22.43 H new ATOM 32 N TRP A 3 5.804 -4.984 -4.024 1.00 32.14 N ATOM 33 CA TRP A 3 6.156 -5.772 -5.199 1.00 72.33 C ATOM 34 C TRP A 3 6.987 -6.990 -4.810 1.00 15.04 C ATOM 35 O TRP A 3 6.790 -8.084 -5.339 1.00 53.12 O ATOM 36 CB TRP A 3 6.927 -4.913 -6.202 1.00 62.14 C ATOM 37 CG TRP A 3 6.039 -4.097 -7.092 1.00 0.42 C ATOM 38 CD1 TRP A 3 5.689 -2.787 -6.922 1.00 23.42 C ATOM 39 CD2 TRP A 3 5.387 -4.536 -8.288 1.00 71.12 C ATOM 40 NE1 TRP A 3 4.859 -2.387 -7.941 1.00 11.44 N ATOM 41 CE2 TRP A 3 4.659 -3.441 -8.792 1.00 52.43 C ATOM 42 CE3 TRP A 3 5.349 -5.747 -8.984 1.00 32.41 C ATOM 43 CZ2 TRP A 3 3.902 -3.523 -9.958 1.00 60.20 C ATOM 44 CZ3 TRP A 3 4.597 -5.828 -10.140 1.00 51.15 C ATOM 45 CH2 TRP A 3 3.883 -4.721 -10.619 1.00 35.42 C ATOM 0 H TRP A 3 6.038 -3.994 -4.094 1.00 32.14 H new ATOM 0 HA TRP A 3 5.232 -6.119 -5.662 1.00 72.33 H new ATOM 0 HB2 TRP A 3 7.597 -4.246 -5.659 1.00 62.14 H new ATOM 0 HB3 TRP A 3 7.552 -5.559 -6.818 1.00 62.14 H new ATOM 0 HD1 TRP A 3 6.017 -2.159 -6.107 1.00 23.42 H new ATOM 0 HE1 TRP A 3 4.457 -1.456 -8.047 1.00 11.44 H new ATOM 0 HE3 TRP A 3 5.898 -6.605 -8.624 1.00 32.41 H new ATOM 0 HZ2 TRP A 3 3.350 -2.672 -10.327 1.00 60.20 H new ATOM 0 HZ3 TRP A 3 4.559 -6.760 -10.684 1.00 51.15 H new ATOM 0 HH2 TRP A 3 3.307 -4.815 -11.527 1.00 35.42 H new ATOM 56 N LYS A 4 7.916 -6.794 -3.880 1.00 71.05 N ATOM 57 CA LYS A 4 8.776 -7.877 -3.418 1.00 43.50 C ATOM 58 C LYS A 4 7.948 -9.073 -2.961 1.00 53.13 C ATOM 59 O LYS A 4 8.283 -10.220 -3.256 1.00 53.41 O ATOM 60 CB LYS A 4 9.668 -7.393 -2.272 1.00 51.11 C ATOM 61 CG LYS A 4 10.949 -6.723 -2.739 1.00 33.10 C ATOM 62 CD LYS A 4 11.946 -7.738 -3.273 1.00 10.33 C ATOM 63 CE LYS A 4 12.609 -8.514 -2.145 1.00 73.11 C ATOM 64 NZ LYS A 4 13.910 -9.103 -2.567 1.00 51.30 N ATOM 0 H LYS A 4 8.092 -5.895 -3.432 1.00 71.05 H new ATOM 0 HA LYS A 4 9.404 -8.190 -4.252 1.00 43.50 H new ATOM 0 HB2 LYS A 4 9.105 -6.692 -1.656 1.00 51.11 H new ATOM 0 HB3 LYS A 4 9.922 -8.242 -1.637 1.00 51.11 H new ATOM 0 HG2 LYS A 4 10.717 -5.995 -3.517 1.00 33.10 H new ATOM 0 HG3 LYS A 4 11.396 -6.173 -1.911 1.00 33.10 H new ATOM 0 HD2 LYS A 4 11.438 -8.431 -3.943 1.00 10.33 H new ATOM 0 HD3 LYS A 4 12.708 -7.227 -3.861 1.00 10.33 H new ATOM 0 HE2 LYS A 4 12.769 -7.852 -1.294 1.00 73.11 H new ATOM 0 HE3 LYS A 4 11.942 -9.309 -1.810 1.00 73.11 H new ATOM 0 HZ1 LYS A 4 14.330 -9.624 -1.771 1.00 51.30 H new ATOM 0 HZ2 LYS A 4 13.754 -9.754 -3.363 1.00 51.30 H new ATOM 0 HZ3 LYS A 4 14.555 -8.343 -2.863 1.00 51.30 H new ATOM 78 N GLU A 5 6.865 -8.797 -2.242 1.00 15.14 N ATOM 79 CA GLU A 5 5.989 -9.852 -1.746 1.00 15.25 C ATOM 80 C GLU A 5 5.104 -10.396 -2.864 1.00 45.31 C ATOM 81 O GLU A 5 4.725 -11.567 -2.857 1.00 43.12 O ATOM 82 CB GLU A 5 5.118 -9.327 -0.602 1.00 51.41 C ATOM 83 CG GLU A 5 4.584 -10.420 0.308 1.00 2.02 C ATOM 84 CD GLU A 5 5.607 -10.880 1.329 1.00 72.11 C ATOM 85 OE1 GLU A 5 5.455 -10.532 2.519 1.00 53.24 O ATOM 86 OE2 GLU A 5 6.559 -11.588 0.939 1.00 53.34 O ATOM 0 H GLU A 5 6.573 -7.853 -1.990 1.00 15.14 H new ATOM 0 HA GLU A 5 6.615 -10.663 -1.374 1.00 15.25 H new ATOM 0 HB2 GLU A 5 5.700 -8.623 -0.007 1.00 51.41 H new ATOM 0 HB3 GLU A 5 4.278 -8.772 -1.021 1.00 51.41 H new ATOM 0 HG2 GLU A 5 3.697 -10.055 0.826 1.00 2.02 H new ATOM 0 HG3 GLU A 5 4.272 -11.271 -0.297 1.00 2.02 H new ATOM 93 N VAL A 6 4.779 -9.536 -3.824 1.00 42.04 N ATOM 94 CA VAL A 6 3.940 -9.929 -4.950 1.00 44.14 C ATOM 95 C VAL A 6 4.675 -10.897 -5.871 1.00 50.55 C ATOM 96 O VAL A 6 4.084 -11.840 -6.398 1.00 10.44 O ATOM 97 CB VAL A 6 3.487 -8.704 -5.767 1.00 21.11 C ATOM 98 CG1 VAL A 6 2.586 -9.132 -6.915 1.00 51.43 C ATOM 99 CG2 VAL A 6 2.781 -7.698 -4.870 1.00 62.23 C ATOM 0 H VAL A 6 5.084 -8.563 -3.845 1.00 42.04 H new ATOM 0 HA VAL A 6 3.062 -10.423 -4.534 1.00 44.14 H new ATOM 0 HB VAL A 6 4.369 -8.223 -6.189 1.00 21.11 H new ATOM 0 HG11 VAL A 6 2.276 -8.254 -7.481 1.00 51.43 H new ATOM 0 HG12 VAL A 6 3.130 -9.812 -7.570 1.00 51.43 H new ATOM 0 HG13 VAL A 6 1.706 -9.637 -6.518 1.00 51.43 H new ATOM 0 HG21 VAL A 6 2.468 -6.839 -5.463 1.00 62.23 H new ATOM 0 HG22 VAL A 6 1.906 -8.165 -4.417 1.00 62.23 H new ATOM 0 HG23 VAL A 6 3.463 -7.368 -4.086 1.00 62.23 H new ATOM 109 N VAL A 7 5.968 -10.657 -6.062 1.00 45.22 N ATOM 110 CA VAL A 7 6.786 -11.508 -6.919 1.00 14.12 C ATOM 111 C VAL A 7 7.056 -12.855 -6.258 1.00 53.01 C ATOM 112 O VAL A 7 7.294 -13.853 -6.937 1.00 62.13 O ATOM 113 CB VAL A 7 8.129 -10.837 -7.259 1.00 44.32 C ATOM 114 CG1 VAL A 7 8.972 -11.745 -8.142 1.00 31.25 C ATOM 115 CG2 VAL A 7 7.898 -9.492 -7.932 1.00 33.03 C ATOM 0 H VAL A 7 6.472 -9.880 -5.635 1.00 45.22 H new ATOM 0 HA VAL A 7 6.224 -11.664 -7.840 1.00 14.12 H new ATOM 0 HB VAL A 7 8.673 -10.665 -6.331 1.00 44.32 H new ATOM 0 HG11 VAL A 7 9.917 -11.254 -8.372 1.00 31.25 H new ATOM 0 HG12 VAL A 7 9.167 -12.681 -7.619 1.00 31.25 H new ATOM 0 HG13 VAL A 7 8.436 -11.951 -9.068 1.00 31.25 H new ATOM 0 HG21 VAL A 7 8.858 -9.032 -8.165 1.00 33.03 H new ATOM 0 HG22 VAL A 7 7.333 -9.638 -8.852 1.00 33.03 H new ATOM 0 HG23 VAL A 7 7.337 -8.841 -7.261 1.00 33.03 H new ATOM 125 N GLN A 8 7.016 -12.875 -4.930 1.00 10.13 N ATOM 126 CA GLN A 8 7.257 -14.100 -4.177 1.00 71.21 C ATOM 127 C GLN A 8 6.307 -15.207 -4.621 1.00 34.41 C ATOM 128 O GLN A 8 6.620 -16.391 -4.505 1.00 23.31 O ATOM 129 CB GLN A 8 7.095 -13.843 -2.678 1.00 33.21 C ATOM 130 CG GLN A 8 7.173 -15.104 -1.832 1.00 71.15 C ATOM 131 CD GLN A 8 8.520 -15.792 -1.934 1.00 20.03 C ATOM 132 OE1 GLN A 8 9.562 -15.138 -1.981 1.00 1.22 O ATOM 133 NE2 GLN A 8 8.506 -17.119 -1.967 1.00 61.45 N ATOM 0 H GLN A 8 6.819 -12.057 -4.353 1.00 10.13 H new ATOM 0 HA GLN A 8 8.279 -14.423 -4.374 1.00 71.21 H new ATOM 0 HB2 GLN A 8 7.869 -13.148 -2.351 1.00 33.21 H new ATOM 0 HB3 GLN A 8 6.135 -13.357 -2.503 1.00 33.21 H new ATOM 0 HG2 GLN A 8 6.976 -14.851 -0.790 1.00 71.15 H new ATOM 0 HG3 GLN A 8 6.391 -15.796 -2.145 1.00 71.15 H new ATOM 0 HE21 GLN A 8 7.619 -17.621 -1.926 1.00 61.45 H new ATOM 0 HE22 GLN A 8 9.382 -17.637 -2.034 1.00 61.45 H new ATOM 142 N ASN A 9 5.143 -14.814 -5.129 1.00 44.42 N ATOM 143 CA ASN A 9 4.146 -15.773 -5.590 1.00 24.33 C ATOM 144 C ASN A 9 4.438 -16.217 -7.020 1.00 3.11 C ATOM 145 O ASN A 9 4.067 -17.317 -7.428 1.00 4.32 O ATOM 146 CB ASN A 9 2.746 -15.163 -5.509 1.00 35.32 C ATOM 147 CG ASN A 9 2.364 -14.778 -4.093 1.00 14.03 C ATOM 148 OD1 ASN A 9 2.893 -15.325 -3.125 1.00 14.43 O ATOM 149 ND2 ASN A 9 1.440 -13.832 -3.966 1.00 21.22 N ATOM 0 H ASN A 9 4.867 -13.837 -5.232 1.00 44.42 H new ATOM 0 HA ASN A 9 4.192 -16.647 -4.941 1.00 24.33 H new ATOM 0 HB2 ASN A 9 2.700 -14.281 -6.147 1.00 35.32 H new ATOM 0 HB3 ASN A 9 2.019 -15.876 -5.897 1.00 35.32 H new ATOM 0 HD21 ASN A 9 1.142 -13.531 -3.038 1.00 21.22 H new ATOM 0 HD22 ASN A 9 1.029 -13.406 -4.797 1.00 21.22 H new ATOM 156 N GLY A 10 5.107 -15.352 -7.777 1.00 73.34 N ATOM 157 CA GLY A 10 5.438 -15.673 -9.153 1.00 53.15 C ATOM 158 C GLY A 10 6.748 -16.425 -9.274 1.00 70.54 C ATOM 159 O GLY A 10 6.950 -17.184 -10.223 1.00 14.45 O ATOM 0 H GLY A 10 5.425 -14.436 -7.462 1.00 73.34 H new ATOM 0 HA2 GLY A 10 4.637 -16.273 -9.586 1.00 53.15 H new ATOM 0 HA3 GLY A 10 5.496 -14.752 -9.734 1.00 53.15 H new ATOM 163 N GLN A 11 7.641 -16.214 -8.313 1.00 33.54 N ATOM 164 CA GLN A 11 8.939 -16.877 -8.318 1.00 23.54 C ATOM 165 C GLN A 11 8.852 -18.251 -7.661 1.00 33.13 C ATOM 166 O GLN A 11 9.574 -19.177 -8.033 1.00 14.10 O ATOM 167 CB GLN A 11 9.977 -16.018 -7.594 1.00 21.15 C ATOM 168 CG GLN A 11 9.771 -15.955 -6.089 1.00 5.33 C ATOM 169 CD GLN A 11 10.725 -14.992 -5.409 1.00 63.03 C ATOM 170 OE1 GLN A 11 11.743 -15.400 -4.849 1.00 32.24 O ATOM 171 NE2 GLN A 11 10.401 -13.705 -5.456 1.00 61.21 N ATOM 0 H GLN A 11 7.489 -15.589 -7.521 1.00 33.54 H new ATOM 0 HA GLN A 11 9.246 -17.009 -9.355 1.00 23.54 H new ATOM 0 HB2 GLN A 11 10.972 -16.414 -7.800 1.00 21.15 H new ATOM 0 HB3 GLN A 11 9.946 -15.007 -7.999 1.00 21.15 H new ATOM 0 HG2 GLN A 11 8.745 -15.653 -5.879 1.00 5.33 H new ATOM 0 HG3 GLN A 11 9.903 -16.951 -5.666 1.00 5.33 H new ATOM 0 HE21 GLN A 11 9.548 -13.411 -5.931 1.00 61.21 H new ATOM 0 HE22 GLN A 11 11.006 -13.011 -5.017 1.00 61.21 H new ATOM 180 N THR A 12 7.963 -18.377 -6.680 1.00 73.43 N ATOM 181 CA THR A 12 7.782 -19.637 -5.970 1.00 74.23 C ATOM 182 C THR A 12 7.517 -20.782 -6.941 1.00 60.41 C ATOM 183 O THR A 12 7.864 -21.932 -6.668 1.00 72.05 O ATOM 184 CB THR A 12 6.618 -19.553 -4.964 1.00 42.13 C ATOM 185 OG1 THR A 12 6.575 -20.740 -4.164 1.00 43.14 O ATOM 186 CG2 THR A 12 5.291 -19.373 -5.686 1.00 30.23 C ATOM 0 H THR A 12 7.357 -17.622 -6.359 1.00 73.43 H new ATOM 0 HA THR A 12 8.708 -19.830 -5.428 1.00 74.23 H new ATOM 0 HB THR A 12 6.784 -18.688 -4.321 1.00 42.13 H new ATOM 0 HG1 THR A 12 5.833 -20.678 -3.526 1.00 43.14 H new ATOM 0 HG21 THR A 12 4.484 -19.316 -4.955 1.00 30.23 H new ATOM 0 HG22 THR A 12 5.317 -18.453 -6.271 1.00 30.23 H new ATOM 0 HG23 THR A 12 5.120 -20.220 -6.350 1.00 30.23 H new ATOM 194 N ILE A 13 6.902 -20.461 -8.074 1.00 70.12 N ATOM 195 CA ILE A 13 6.593 -21.464 -9.086 1.00 41.30 C ATOM 196 C ILE A 13 7.719 -21.579 -10.108 1.00 2.32 C ATOM 197 O ILE A 13 7.997 -22.662 -10.622 1.00 71.24 O ATOM 198 CB ILE A 13 5.280 -21.136 -9.821 1.00 31.01 C ATOM 199 CG1 ILE A 13 4.124 -21.030 -8.823 1.00 65.34 C ATOM 200 CG2 ILE A 13 4.983 -22.194 -10.873 1.00 24.20 C ATOM 201 CD1 ILE A 13 2.842 -20.512 -9.436 1.00 45.04 C ATOM 0 H ILE A 13 6.608 -19.514 -8.314 1.00 70.12 H new ATOM 0 HA ILE A 13 6.480 -22.414 -8.564 1.00 41.30 H new ATOM 0 HB ILE A 13 5.392 -20.175 -10.322 1.00 31.01 H new ATOM 0 HG12 ILE A 13 3.938 -22.012 -8.389 1.00 65.34 H new ATOM 0 HG13 ILE A 13 4.419 -20.371 -8.006 1.00 65.34 H new ATOM 0 HG21 ILE A 13 4.052 -21.948 -11.384 1.00 24.20 H new ATOM 0 HG22 ILE A 13 5.797 -22.225 -11.597 1.00 24.20 H new ATOM 0 HG23 ILE A 13 4.887 -23.168 -10.393 1.00 24.20 H new ATOM 0 HD11 ILE A 13 2.067 -20.463 -8.671 1.00 45.04 H new ATOM 0 HD12 ILE A 13 3.011 -19.516 -9.846 1.00 45.04 H new ATOM 0 HD13 ILE A 13 2.523 -21.183 -10.234 1.00 45.04 H new ATOM 213 N PHE A 14 8.366 -20.454 -10.396 1.00 63.41 N ATOM 214 CA PHE A 14 9.464 -20.428 -11.356 1.00 32.51 C ATOM 215 C PHE A 14 10.673 -21.190 -10.820 1.00 52.23 C ATOM 216 O PHE A 14 11.158 -22.128 -11.452 1.00 24.44 O ATOM 217 CB PHE A 14 9.857 -18.984 -11.675 1.00 35.52 C ATOM 218 CG PHE A 14 10.602 -18.838 -12.970 1.00 63.24 C ATOM 219 CD1 PHE A 14 11.971 -19.047 -13.025 1.00 32.23 C ATOM 220 CD2 PHE A 14 9.935 -18.491 -14.134 1.00 33.21 C ATOM 221 CE1 PHE A 14 12.660 -18.914 -14.215 1.00 41.13 C ATOM 222 CE2 PHE A 14 10.618 -18.357 -15.327 1.00 45.24 C ATOM 223 CZ PHE A 14 11.983 -18.567 -15.368 1.00 20.11 C ATOM 0 H PHE A 14 8.149 -19.549 -9.979 1.00 63.41 H new ATOM 0 HA PHE A 14 9.126 -20.915 -12.270 1.00 32.51 H new ATOM 0 HB2 PHE A 14 8.957 -18.371 -11.712 1.00 35.52 H new ATOM 0 HB3 PHE A 14 10.474 -18.596 -10.864 1.00 35.52 H new ATOM 0 HD1 PHE A 14 12.506 -19.317 -12.126 1.00 32.23 H new ATOM 0 HD2 PHE A 14 8.868 -18.323 -14.108 1.00 33.21 H new ATOM 0 HE1 PHE A 14 13.727 -19.081 -14.244 1.00 41.13 H new ATOM 0 HE2 PHE A 14 10.085 -18.088 -16.227 1.00 45.24 H new ATOM 0 HZ PHE A 14 12.519 -18.460 -16.299 1.00 20.11 H new ATOM 233 N SER A 15 11.154 -20.778 -9.652 1.00 1.31 N ATOM 234 CA SER A 15 12.309 -21.417 -9.032 1.00 70.14 C ATOM 235 C SER A 15 12.105 -22.926 -8.930 1.00 50.44 C ATOM 236 O SER A 15 13.016 -23.706 -9.205 1.00 30.12 O ATOM 237 CB SER A 15 12.559 -20.830 -7.642 1.00 50.31 C ATOM 238 OG SER A 15 13.408 -19.698 -7.712 1.00 4.50 O ATOM 0 H SER A 15 10.762 -20.004 -9.115 1.00 1.31 H new ATOM 0 HA SER A 15 13.179 -21.227 -9.660 1.00 70.14 H new ATOM 0 HB2 SER A 15 11.610 -20.549 -7.186 1.00 50.31 H new ATOM 0 HB3 SER A 15 13.009 -21.587 -7.000 1.00 50.31 H new ATOM 0 HG SER A 15 13.551 -19.340 -6.811 1.00 4.50 H new ATOM 244 N ALA A 16 10.902 -23.328 -8.534 1.00 22.25 N ATOM 245 CA ALA A 16 10.577 -24.742 -8.397 1.00 34.32 C ATOM 246 C ALA A 16 10.554 -25.434 -9.756 1.00 34.35 C ATOM 247 O ALA A 16 10.965 -26.586 -9.883 1.00 64.53 O ATOM 248 CB ALA A 16 9.237 -24.910 -7.694 1.00 64.02 C ATOM 0 H ALA A 16 10.137 -22.695 -8.303 1.00 22.25 H new ATOM 0 HA ALA A 16 11.353 -25.211 -7.793 1.00 34.32 H new ATOM 0 HB1 ALA A 16 9.007 -25.971 -7.598 1.00 64.02 H new ATOM 0 HB2 ALA A 16 9.287 -24.459 -6.703 1.00 64.02 H new ATOM 0 HB3 ALA A 16 8.457 -24.420 -8.277 1.00 64.02 H new ATOM 254 N GLY A 17 10.068 -24.723 -10.769 1.00 24.02 N ATOM 255 CA GLY A 17 10.000 -25.286 -12.105 1.00 0.14 C ATOM 256 C GLY A 17 11.347 -25.779 -12.596 1.00 12.52 C ATOM 257 O GLY A 17 11.419 -26.718 -13.388 1.00 4.33 O ATOM 0 H GLY A 17 9.720 -23.767 -10.688 1.00 24.02 H new ATOM 0 HA2 GLY A 17 9.290 -26.113 -12.112 1.00 0.14 H new ATOM 0 HA3 GLY A 17 9.619 -24.533 -12.794 1.00 0.14 H new ATOM 261 N GLN A 18 12.415 -25.142 -12.126 1.00 60.32 N ATOM 262 CA GLN A 18 13.766 -25.521 -12.525 1.00 55.42 C ATOM 263 C GLN A 18 14.299 -26.644 -11.642 1.00 44.14 C ATOM 264 O GLN A 18 15.110 -27.461 -12.081 1.00 10.45 O ATOM 265 CB GLN A 18 14.699 -24.311 -12.452 1.00 62.14 C ATOM 266 CG GLN A 18 14.248 -23.142 -13.312 1.00 52.52 C ATOM 267 CD GLN A 18 13.808 -23.571 -14.698 1.00 20.31 C ATOM 268 OE1 GLN A 18 14.455 -24.401 -15.338 1.00 0.04 O ATOM 269 NE2 GLN A 18 12.702 -23.008 -15.170 1.00 1.34 N ATOM 0 H GLN A 18 12.371 -24.362 -11.470 1.00 60.32 H new ATOM 0 HA GLN A 18 13.728 -25.880 -13.553 1.00 55.42 H new ATOM 0 HB2 GLN A 18 14.773 -23.982 -11.416 1.00 62.14 H new ATOM 0 HB3 GLN A 18 15.699 -24.615 -12.762 1.00 62.14 H new ATOM 0 HG2 GLN A 18 13.424 -22.628 -12.817 1.00 52.52 H new ATOM 0 HG3 GLN A 18 15.064 -22.425 -13.400 1.00 52.52 H new ATOM 0 HE21 GLN A 18 12.197 -22.325 -14.606 1.00 1.34 H new ATOM 0 HE22 GLN A 18 12.358 -23.259 -16.097 1.00 1.34 H new ATOM 278 N LYS A 19 13.840 -26.679 -10.396 1.00 62.21 N ATOM 279 CA LYS A 19 14.270 -27.702 -9.451 1.00 21.55 C ATOM 280 C LYS A 19 13.610 -29.042 -9.761 1.00 13.02 C ATOM 281 O LYS A 19 14.290 -30.041 -9.998 1.00 61.00 O ATOM 282 CB LYS A 19 13.936 -27.276 -8.019 1.00 73.33 C ATOM 283 CG LYS A 19 14.783 -26.121 -7.515 1.00 23.32 C ATOM 284 CD LYS A 19 16.149 -26.595 -7.045 1.00 73.15 C ATOM 285 CE LYS A 19 16.075 -27.224 -5.663 1.00 24.24 C ATOM 286 NZ LYS A 19 17.346 -27.051 -4.906 1.00 43.52 N ATOM 0 H LYS A 19 13.170 -26.010 -10.017 1.00 62.21 H new ATOM 0 HA LYS A 19 15.350 -27.818 -9.547 1.00 21.55 H new ATOM 0 HB2 LYS A 19 12.884 -26.993 -7.969 1.00 73.33 H new ATOM 0 HB3 LYS A 19 14.069 -28.130 -7.355 1.00 73.33 H new ATOM 0 HG2 LYS A 19 14.906 -25.385 -8.309 1.00 23.32 H new ATOM 0 HG3 LYS A 19 14.268 -25.622 -6.694 1.00 23.32 H new ATOM 0 HD2 LYS A 19 16.548 -27.320 -7.755 1.00 73.15 H new ATOM 0 HD3 LYS A 19 16.841 -25.753 -7.026 1.00 73.15 H new ATOM 0 HE2 LYS A 19 15.255 -26.775 -5.103 1.00 24.24 H new ATOM 0 HE3 LYS A 19 15.851 -28.286 -5.759 1.00 24.24 H new ATOM 0 HZ1 LYS A 19 17.255 -27.493 -3.969 1.00 43.52 H new ATOM 0 HZ2 LYS A 19 18.125 -27.502 -5.428 1.00 43.52 H new ATOM 0 HZ3 LYS A 19 17.547 -26.037 -4.792 1.00 43.52 H new ATOM 300 N LEU A 20 12.281 -29.056 -9.759 1.00 4.11 N ATOM 301 CA LEU A 20 11.529 -30.273 -10.042 1.00 14.00 C ATOM 302 C LEU A 20 11.845 -30.796 -11.439 1.00 72.34 C ATOM 303 O LEU A 20 11.723 -31.991 -11.708 1.00 45.43 O ATOM 304 CB LEU A 20 10.027 -30.010 -9.911 1.00 44.32 C ATOM 305 CG LEU A 20 9.571 -29.362 -8.603 1.00 40.15 C ATOM 306 CD1 LEU A 20 8.311 -28.540 -8.826 1.00 72.32 C ATOM 307 CD2 LEU A 20 9.338 -30.421 -7.536 1.00 74.44 C ATOM 0 H LEU A 20 11.703 -28.239 -9.565 1.00 4.11 H new ATOM 0 HA LEU A 20 11.824 -31.030 -9.315 1.00 14.00 H new ATOM 0 HB2 LEU A 20 9.717 -29.371 -10.737 1.00 44.32 H new ATOM 0 HB3 LEU A 20 9.501 -30.958 -10.026 1.00 44.32 H new ATOM 0 HG LEU A 20 10.359 -28.694 -8.256 1.00 40.15 H new ATOM 0 HD11 LEU A 20 8.001 -28.086 -7.885 1.00 72.32 H new ATOM 0 HD12 LEU A 20 8.512 -27.757 -9.557 1.00 72.32 H new ATOM 0 HD13 LEU A 20 7.516 -29.187 -9.196 1.00 72.32 H new ATOM 0 HD21 LEU A 20 9.014 -29.942 -6.612 1.00 74.44 H new ATOM 0 HD22 LEU A 20 8.568 -31.115 -7.874 1.00 74.44 H new ATOM 0 HD23 LEU A 20 10.264 -30.966 -7.356 1.00 74.44 H new ATOM 319 N GLY A 21 12.253 -29.893 -12.326 1.00 24.23 N ATOM 320 CA GLY A 21 12.583 -30.283 -13.684 1.00 70.31 C ATOM 321 C GLY A 21 13.664 -31.345 -13.736 1.00 54.14 C ATOM 322 O GLY A 21 13.817 -32.034 -14.744 1.00 25.23 O ATOM 0 H GLY A 21 12.361 -28.898 -12.128 1.00 24.23 H new ATOM 0 HA2 GLY A 21 11.687 -30.657 -14.179 1.00 70.31 H new ATOM 0 HA3 GLY A 21 12.913 -29.406 -14.241 1.00 70.31 H new ATOM 326 N ASN A 22 14.416 -31.476 -12.648 1.00 55.13 N ATOM 327 CA ASN A 22 15.489 -32.460 -12.575 1.00 45.12 C ATOM 328 C ASN A 22 14.937 -33.878 -12.686 1.00 52.41 C ATOM 329 O ASN A 22 15.527 -34.735 -13.343 1.00 11.13 O ATOM 330 CB ASN A 22 16.264 -32.304 -11.265 1.00 43.42 C ATOM 331 CG ASN A 22 17.612 -32.998 -11.304 1.00 41.33 C ATOM 332 OD1 ASN A 22 18.352 -32.885 -12.281 1.00 64.54 O ATOM 333 ND2 ASN A 22 17.936 -33.720 -10.238 1.00 63.34 N ATOM 0 H ASN A 22 14.302 -30.913 -11.805 1.00 55.13 H new ATOM 0 HA ASN A 22 16.164 -32.286 -13.413 1.00 45.12 H new ATOM 0 HB2 ASN A 22 16.410 -31.244 -11.057 1.00 43.42 H new ATOM 0 HB3 ASN A 22 15.672 -32.711 -10.445 1.00 43.42 H new ATOM 0 HD21 ASN A 22 18.830 -34.210 -10.206 1.00 63.34 H new ATOM 0 HD22 ASN A 22 17.291 -33.785 -9.451 1.00 63.34 H new ATOM 340 N MET A 23 13.800 -34.116 -12.040 1.00 2.11 N ATOM 341 CA MET A 23 13.167 -35.429 -12.068 1.00 33.24 C ATOM 342 C MET A 23 12.321 -35.599 -13.326 1.00 45.40 C ATOM 343 O MET A 23 12.052 -36.719 -13.758 1.00 72.34 O ATOM 344 CB MET A 23 12.297 -35.626 -10.825 1.00 12.35 C ATOM 345 CG MET A 23 11.136 -34.649 -10.734 1.00 50.54 C ATOM 346 SD MET A 23 9.742 -35.310 -9.802 1.00 74.44 S ATOM 347 CE MET A 23 8.689 -35.888 -11.132 1.00 2.51 C ATOM 0 H MET A 23 13.299 -33.417 -11.491 1.00 2.11 H new ATOM 0 HA MET A 23 13.954 -36.183 -12.076 1.00 33.24 H new ATOM 0 HB2 MET A 23 11.906 -36.643 -10.823 1.00 12.35 H new ATOM 0 HB3 MET A 23 12.919 -35.522 -9.936 1.00 12.35 H new ATOM 0 HG2 MET A 23 11.478 -33.727 -10.263 1.00 50.54 H new ATOM 0 HG3 MET A 23 10.805 -34.390 -11.740 1.00 50.54 H new ATOM 0 HE1 MET A 23 7.782 -36.325 -10.714 1.00 2.51 H new ATOM 0 HE2 MET A 23 8.424 -35.050 -11.777 1.00 2.51 H new ATOM 0 HE3 MET A 23 9.219 -36.641 -11.715 1.00 2.51 H new ATOM 357 N VAL A 24 11.906 -34.479 -13.910 1.00 13.04 N ATOM 358 CA VAL A 24 11.092 -34.504 -15.119 1.00 14.11 C ATOM 359 C VAL A 24 11.947 -34.771 -16.352 1.00 24.10 C ATOM 360 O VAL A 24 11.685 -35.701 -17.113 1.00 73.13 O ATOM 361 CB VAL A 24 10.332 -33.178 -15.312 1.00 5.31 C ATOM 362 CG1 VAL A 24 9.268 -33.323 -16.389 1.00 31.55 C ATOM 363 CG2 VAL A 24 9.715 -32.722 -13.998 1.00 42.45 C ATOM 0 H VAL A 24 12.120 -33.543 -13.565 1.00 13.04 H new ATOM 0 HA VAL A 24 10.371 -35.313 -14.998 1.00 14.11 H new ATOM 0 HB VAL A 24 11.041 -32.417 -15.637 1.00 5.31 H new ATOM 0 HG11 VAL A 24 8.742 -32.376 -16.511 1.00 31.55 H new ATOM 0 HG12 VAL A 24 9.740 -33.600 -17.332 1.00 31.55 H new ATOM 0 HG13 VAL A 24 8.558 -34.097 -16.097 1.00 31.55 H new ATOM 0 HG21 VAL A 24 9.182 -31.784 -14.153 1.00 42.45 H new ATOM 0 HG22 VAL A 24 9.019 -33.480 -13.640 1.00 42.45 H new ATOM 0 HG23 VAL A 24 10.502 -32.575 -13.258 1.00 42.45 H new ATOM 373 N GLY A 25 12.974 -33.948 -16.543 1.00 23.22 N ATOM 374 CA GLY A 25 13.854 -34.112 -17.685 1.00 61.32 C ATOM 375 C GLY A 25 14.979 -35.091 -17.414 1.00 64.04 C ATOM 376 O GLY A 25 15.767 -35.405 -18.307 1.00 25.44 O ATOM 0 H GLY A 25 13.212 -33.171 -15.927 1.00 23.22 H new ATOM 0 HA2 GLY A 25 13.274 -34.458 -18.540 1.00 61.32 H new ATOM 0 HA3 GLY A 25 14.276 -33.144 -17.957 1.00 61.32 H new ATOM 380 N LYS A 26 15.057 -35.574 -16.179 1.00 1.31 N ATOM 381 CA LYS A 26 16.094 -36.522 -15.791 1.00 63.44 C ATOM 382 C LYS A 26 15.601 -37.445 -14.681 1.00 53.14 C ATOM 383 O LYS A 26 14.592 -37.166 -14.033 1.00 32.11 O ATOM 384 CB LYS A 26 17.349 -35.777 -15.330 1.00 31.42 C ATOM 385 CG LYS A 26 18.618 -36.230 -16.032 1.00 13.15 C ATOM 386 CD LYS A 26 19.822 -35.417 -15.585 1.00 73.44 C ATOM 387 CE LYS A 26 20.120 -34.284 -16.555 1.00 71.43 C ATOM 388 NZ LYS A 26 21.499 -33.751 -16.378 1.00 60.24 N ATOM 0 H LYS A 26 14.413 -35.324 -15.428 1.00 1.31 H new ATOM 0 HA LYS A 26 16.339 -37.130 -16.662 1.00 63.44 H new ATOM 0 HB2 LYS A 26 17.211 -34.709 -15.501 1.00 31.42 H new ATOM 0 HB3 LYS A 26 17.469 -35.915 -14.255 1.00 31.42 H new ATOM 0 HG2 LYS A 26 18.793 -37.286 -15.824 1.00 13.15 H new ATOM 0 HG3 LYS A 26 18.493 -36.134 -17.110 1.00 13.15 H new ATOM 0 HD2 LYS A 26 19.638 -35.008 -14.592 1.00 73.44 H new ATOM 0 HD3 LYS A 26 20.693 -36.068 -15.505 1.00 73.44 H new ATOM 0 HE2 LYS A 26 19.997 -34.640 -17.578 1.00 71.43 H new ATOM 0 HE3 LYS A 26 19.398 -33.480 -16.408 1.00 71.43 H new ATOM 0 HZ1 LYS A 26 21.663 -32.981 -17.057 1.00 60.24 H new ATOM 0 HZ2 LYS A 26 21.609 -33.388 -15.410 1.00 60.24 H new ATOM 0 HZ3 LYS A 26 22.189 -34.511 -16.544 1.00 60.24 H new ATOM 402 N ILE A 27 16.319 -38.542 -14.468 1.00 35.44 N ATOM 403 CA ILE A 27 15.954 -39.504 -13.434 1.00 42.42 C ATOM 404 C ILE A 27 16.219 -38.941 -12.042 1.00 14.41 C ATOM 405 O ILE A 27 16.621 -37.787 -11.893 1.00 45.22 O ATOM 406 CB ILE A 27 16.728 -40.825 -13.597 1.00 31.33 C ATOM 407 CG1 ILE A 27 18.234 -40.575 -13.498 1.00 62.21 C ATOM 408 CG2 ILE A 27 16.380 -41.483 -14.924 1.00 3.21 C ATOM 409 CD1 ILE A 27 18.778 -40.709 -12.093 1.00 63.11 C ATOM 0 H ILE A 27 17.156 -38.787 -14.997 1.00 35.44 H new ATOM 0 HA ILE A 27 14.888 -39.700 -13.547 1.00 42.42 H new ATOM 0 HB ILE A 27 16.438 -41.500 -12.792 1.00 31.33 H new ATOM 0 HG12 ILE A 27 18.754 -41.278 -14.149 1.00 62.21 H new ATOM 0 HG13 ILE A 27 18.453 -39.574 -13.870 1.00 62.21 H new ATOM 0 HG21 ILE A 27 16.935 -42.416 -15.024 1.00 3.21 H new ATOM 0 HG22 ILE A 27 15.311 -41.692 -14.957 1.00 3.21 H new ATOM 0 HG23 ILE A 27 16.644 -40.814 -15.743 1.00 3.21 H new ATOM 0 HD11 ILE A 27 19.851 -40.518 -12.099 1.00 63.11 H new ATOM 0 HD12 ILE A 27 18.285 -39.988 -11.442 1.00 63.11 H new ATOM 0 HD13 ILE A 27 18.591 -41.718 -11.725 1.00 63.11 H new ATOM 421 N VAL A 28 15.991 -39.764 -11.023 1.00 51.15 N ATOM 422 CA VAL A 28 16.207 -39.350 -9.642 1.00 42.34 C ATOM 423 C VAL A 28 16.743 -40.502 -8.800 1.00 73.34 C ATOM 424 O VAL A 28 16.551 -41.677 -9.117 1.00 14.41 O ATOM 425 CB VAL A 28 14.908 -38.823 -9.004 1.00 41.34 C ATOM 426 CG1 VAL A 28 14.617 -37.406 -9.477 1.00 63.41 C ATOM 427 CG2 VAL A 28 13.745 -39.749 -9.323 1.00 34.30 C ATOM 0 H VAL A 28 15.657 -40.722 -11.128 1.00 51.15 H new ATOM 0 HA VAL A 28 16.944 -38.547 -9.664 1.00 42.34 H new ATOM 0 HB VAL A 28 15.038 -38.800 -7.922 1.00 41.34 H new ATOM 0 HG11 VAL A 28 13.696 -37.050 -9.016 1.00 63.41 H new ATOM 0 HG12 VAL A 28 15.441 -36.751 -9.193 1.00 63.41 H new ATOM 0 HG13 VAL A 28 14.506 -37.400 -10.561 1.00 63.41 H new ATOM 0 HG21 VAL A 28 12.835 -39.362 -8.864 1.00 34.30 H new ATOM 0 HG22 VAL A 28 13.611 -39.806 -10.403 1.00 34.30 H new ATOM 0 HG23 VAL A 28 13.954 -40.744 -8.930 1.00 34.30 H new ATOM 437 N PRO A 29 17.431 -40.162 -7.701 1.00 10.23 N ATOM 438 CA PRO A 29 18.008 -41.154 -6.789 1.00 71.20 C ATOM 439 C PRO A 29 16.941 -41.911 -6.006 1.00 31.42 C ATOM 440 O PRO A 29 17.117 -43.083 -5.670 1.00 24.15 O ATOM 441 CB PRO A 29 18.867 -40.310 -5.844 1.00 21.50 C ATOM 442 CG PRO A 29 18.244 -38.957 -5.872 1.00 62.52 C ATOM 443 CD PRO A 29 17.698 -38.782 -7.262 1.00 44.32 C ATOM 0 HA PRO A 29 18.567 -41.922 -7.323 1.00 71.20 H new ATOM 0 HB2 PRO A 29 18.870 -40.724 -4.836 1.00 21.50 H new ATOM 0 HB3 PRO A 29 19.904 -40.275 -6.177 1.00 21.50 H new ATOM 0 HG2 PRO A 29 17.451 -38.877 -5.128 1.00 62.52 H new ATOM 0 HG3 PRO A 29 18.977 -38.185 -5.641 1.00 62.52 H new ATOM 0 HD2 PRO A 29 16.791 -38.177 -7.264 1.00 44.32 H new ATOM 0 HD3 PRO A 29 18.415 -38.284 -7.915 1.00 44.32 H new ATOM 451 N LEU A 30 15.834 -41.236 -5.718 1.00 52.25 N ATOM 452 CA LEU A 30 14.737 -41.846 -4.975 1.00 12.53 C ATOM 453 C LEU A 30 13.473 -41.912 -5.826 1.00 32.42 C ATOM 454 O LEU A 30 12.517 -41.164 -5.621 1.00 72.02 O ATOM 455 CB LEU A 30 14.462 -41.056 -3.694 1.00 12.50 C ATOM 456 CG LEU A 30 15.276 -41.464 -2.466 1.00 34.14 C ATOM 457 CD1 LEU A 30 14.874 -42.854 -1.997 1.00 73.12 C ATOM 458 CD2 LEU A 30 16.765 -41.412 -2.771 1.00 64.34 C ATOM 0 H LEU A 30 15.672 -40.266 -5.988 1.00 52.25 H new ATOM 0 HA LEU A 30 15.029 -42.863 -4.713 1.00 12.53 H new ATOM 0 HB2 LEU A 30 14.649 -40.001 -3.895 1.00 12.50 H new ATOM 0 HB3 LEU A 30 13.404 -41.152 -3.452 1.00 12.50 H new ATOM 0 HG LEU A 30 15.066 -40.757 -1.664 1.00 34.14 H new ATOM 0 HD11 LEU A 30 15.464 -43.128 -1.122 1.00 73.12 H new ATOM 0 HD12 LEU A 30 13.816 -42.858 -1.737 1.00 73.12 H new ATOM 0 HD13 LEU A 30 15.054 -43.574 -2.796 1.00 73.12 H new ATOM 0 HD21 LEU A 30 17.328 -41.706 -1.885 1.00 64.34 H new ATOM 0 HD22 LEU A 30 16.993 -42.095 -3.589 1.00 64.34 H new ATOM 0 HD23 LEU A 30 17.042 -40.398 -3.058 1.00 64.34 H new ATOM 470 N PRO A 31 13.465 -42.831 -6.803 1.00 31.32 N ATOM 471 CA PRO A 31 12.323 -43.020 -7.703 1.00 22.12 C ATOM 472 C PRO A 31 11.118 -43.624 -6.991 1.00 34.11 C ATOM 473 O PRO A 31 11.129 -44.797 -6.615 1.00 50.44 O ATOM 474 CB PRO A 31 12.861 -43.988 -8.759 1.00 72.44 C ATOM 475 CG PRO A 31 13.955 -44.730 -8.072 1.00 10.10 C ATOM 476 CD PRO A 31 14.570 -43.757 -7.104 1.00 34.32 C ATOM 0 HA PRO A 31 11.966 -42.075 -8.113 1.00 22.12 H new ATOM 0 HB2 PRO A 31 12.082 -44.666 -9.108 1.00 72.44 H new ATOM 0 HB3 PRO A 31 13.234 -43.453 -9.633 1.00 72.44 H new ATOM 0 HG2 PRO A 31 13.566 -45.605 -7.552 1.00 10.10 H new ATOM 0 HG3 PRO A 31 14.694 -45.088 -8.789 1.00 10.10 H new ATOM 0 HD2 PRO A 31 14.931 -44.258 -6.206 1.00 34.32 H new ATOM 0 HD3 PRO A 31 15.422 -43.237 -7.543 1.00 34.32 H new ATOM 484 N PHE A 32 10.078 -42.817 -6.809 1.00 0.43 N ATOM 485 CA PHE A 32 8.864 -43.272 -6.141 1.00 41.21 C ATOM 486 C PHE A 32 7.744 -43.508 -7.150 1.00 43.14 C ATOM 487 O PHE A 32 6.875 -44.354 -6.943 1.00 44.15 O ATOM 488 CB PHE A 32 8.417 -42.248 -5.096 1.00 54.52 C ATOM 489 CG PHE A 32 8.089 -40.902 -5.678 1.00 3.14 C ATOM 490 CD1 PHE A 32 6.826 -40.639 -6.182 1.00 31.10 C ATOM 491 CD2 PHE A 32 9.045 -39.900 -5.720 1.00 43.23 C ATOM 492 CE1 PHE A 32 6.521 -39.402 -6.717 1.00 42.24 C ATOM 493 CE2 PHE A 32 8.746 -38.661 -6.254 1.00 43.41 C ATOM 494 CZ PHE A 32 7.483 -38.412 -6.754 1.00 42.44 C ATOM 0 H PHE A 32 10.051 -41.844 -7.115 1.00 0.43 H new ATOM 0 HA PHE A 32 9.085 -44.216 -5.643 1.00 41.21 H new ATOM 0 HB2 PHE A 32 7.541 -42.632 -4.574 1.00 54.52 H new ATOM 0 HB3 PHE A 32 9.206 -42.131 -4.353 1.00 54.52 H new ATOM 0 HD1 PHE A 32 6.070 -41.410 -6.157 1.00 31.10 H new ATOM 0 HD2 PHE A 32 10.035 -40.089 -5.331 1.00 43.23 H new ATOM 0 HE1 PHE A 32 5.532 -39.210 -7.106 1.00 42.24 H new ATOM 0 HE2 PHE A 32 9.500 -37.888 -6.280 1.00 43.41 H new ATOM 0 HZ PHE A 32 7.248 -37.445 -7.173 1.00 42.44 H new ATOM 504 N GLY A 33 7.772 -42.752 -8.244 1.00 61.11 N ATOM 505 CA GLY A 33 6.755 -42.893 -9.269 1.00 74.12 C ATOM 506 C GLY A 33 7.306 -42.684 -10.666 1.00 14.43 C ATOM 507 O GLY A 33 8.075 -41.753 -10.903 1.00 42.32 O ATOM 0 H GLY A 33 8.481 -42.045 -8.438 1.00 61.11 H new ATOM 0 HA2 GLY A 33 6.311 -43.886 -9.202 1.00 74.12 H new ATOM 0 HA3 GLY A 33 5.957 -42.174 -9.085 1.00 74.12 H new TER 511 GLY A 33