USER MOD reduce.3.24.130724 H: found=0, std=0, add=259, rem=0, adj=6 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+ -169:sc= 0 (180deg=-0.0552) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 ASN : amide:sc= -0.279 X(o=-0.28,f=-0.054) USER MOD Single : A 11 GLN : amide:sc= -0.0019 K(o=-0.0019,f=-2.2!) 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 X(o=0,f=-0.026) USER MOD Single : A 19 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.00758) USER MOD Single : A 22 ASN : amide:sc= -1.61 K(o=-1.6,f=-4.1!) USER MOD Single : A 23 MET CE :methyl -138:sc= 0 (180deg=-0.0163) USER MOD Single : A 26 LYS NZ :NH3+ 169:sc=-0.00402 (180deg=-0.16) USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A 1 5.919 -6.975 3.327 1.00 52.33 N ATOM 2 CA TRP A 1 6.103 -5.532 3.219 1.00 51.24 C ATOM 3 C TRP A 1 7.306 -5.201 2.342 1.00 11.35 C ATOM 4 O TRP A 1 8.425 -5.062 2.835 1.00 52.22 O ATOM 5 CB TRP A 1 6.282 -4.914 4.606 1.00 34.45 C ATOM 6 CG TRP A 1 6.068 -3.431 4.629 1.00 72.13 C ATOM 7 CD1 TRP A 1 6.931 -2.472 4.183 1.00 45.31 C ATOM 8 CD2 TRP A 1 4.917 -2.739 5.124 1.00 13.41 C ATOM 9 NE1 TRP A 1 6.387 -1.224 4.371 1.00 34.44 N ATOM 10 CE2 TRP A 1 5.151 -1.361 4.946 1.00 12.02 C ATOM 11 CE3 TRP A 1 3.710 -3.148 5.698 1.00 24.04 C ATOM 12 CZ2 TRP A 1 4.223 -0.394 5.324 1.00 42.21 C ATOM 13 CZ3 TRP A 1 2.791 -2.187 6.073 1.00 51.21 C ATOM 14 CH2 TRP A 1 3.051 -0.823 5.884 1.00 53.11 C ATOM 0 H1 TRP A 1 5.095 -7.176 3.928 1.00 52.33 H new ATOM 0 H2 TRP A 1 5.763 -7.377 2.381 1.00 52.33 H new ATOM 0 H3 TRP A 1 6.768 -7.403 3.749 1.00 52.33 H new ATOM 0 HA TRP A 1 5.211 -5.111 2.755 1.00 51.24 H new ATOM 0 HB2 TRP A 1 5.584 -5.385 5.298 1.00 34.45 H new ATOM 0 HB3 TRP A 1 7.287 -5.134 4.967 1.00 34.45 H new ATOM 0 HD1 TRP A 1 7.900 -2.666 3.746 1.00 45.31 H new ATOM 0 HE1 TRP A 1 6.831 -0.340 4.123 1.00 34.44 H new ATOM 0 HE3 TRP A 1 3.499 -4.197 5.846 1.00 24.04 H new ATOM 0 HZ2 TRP A 1 4.422 0.658 5.180 1.00 42.21 H new ATOM 0 HZ3 TRP A 1 1.856 -2.492 6.519 1.00 51.21 H new ATOM 0 HH2 TRP A 1 2.312 -0.096 6.186 1.00 53.11 H new ATOM 25 N GLY A 2 7.068 -5.075 1.040 1.00 21.22 N ATOM 26 CA GLY A 2 8.143 -4.761 0.117 1.00 74.12 C ATOM 27 C GLY A 2 8.032 -5.531 -1.184 1.00 44.03 C ATOM 28 O GLY A 2 7.595 -6.681 -1.197 1.00 75.42 O ATOM 0 H GLY A 2 6.150 -5.185 0.608 1.00 21.22 H new ATOM 0 HA2 GLY A 2 8.135 -3.692 -0.095 1.00 74.12 H new ATOM 0 HA3 GLY A 2 9.100 -4.986 0.588 1.00 74.12 H new ATOM 32 N TRP A 3 8.429 -4.895 -2.281 1.00 33.40 N ATOM 33 CA TRP A 3 8.371 -5.528 -3.594 1.00 15.01 C ATOM 34 C TRP A 3 9.063 -6.886 -3.575 1.00 63.10 C ATOM 35 O TRP A 3 8.546 -7.866 -4.112 1.00 41.22 O ATOM 36 CB TRP A 3 9.018 -4.626 -4.646 1.00 75.24 C ATOM 37 CG TRP A 3 8.201 -3.412 -4.971 1.00 4.44 C ATOM 38 CD1 TRP A 3 8.285 -2.185 -4.376 1.00 23.12 C ATOM 39 CD2 TRP A 3 7.177 -3.308 -5.965 1.00 71.13 C ATOM 40 NE1 TRP A 3 7.374 -1.325 -4.941 1.00 25.32 N ATOM 41 CE2 TRP A 3 6.683 -1.990 -5.919 1.00 11.31 C ATOM 42 CE3 TRP A 3 6.630 -4.200 -6.892 1.00 2.21 C ATOM 43 CZ2 TRP A 3 5.669 -1.545 -6.763 1.00 34.03 C ATOM 44 CZ3 TRP A 3 5.623 -3.757 -7.729 1.00 24.05 C ATOM 45 CH2 TRP A 3 5.152 -2.439 -7.660 1.00 75.41 C ATOM 0 H TRP A 3 8.794 -3.943 -2.287 1.00 33.40 H new ATOM 0 HA TRP A 3 7.323 -5.680 -3.851 1.00 15.01 H new ATOM 0 HB2 TRP A 3 9.999 -4.311 -4.290 1.00 75.24 H new ATOM 0 HB3 TRP A 3 9.180 -5.201 -5.558 1.00 75.24 H new ATOM 0 HD1 TRP A 3 8.967 -1.929 -3.579 1.00 23.12 H new ATOM 0 HE1 TRP A 3 7.235 -0.350 -4.675 1.00 25.32 H new ATOM 0 HE3 TRP A 3 6.988 -5.217 -6.953 1.00 2.21 H new ATOM 0 HZ2 TRP A 3 5.304 -0.530 -6.711 1.00 34.03 H new ATOM 0 HZ3 TRP A 3 5.192 -4.438 -8.448 1.00 24.05 H new ATOM 0 HH2 TRP A 3 4.365 -2.123 -8.329 1.00 75.41 H new ATOM 56 N LYS A 4 10.236 -6.938 -2.953 1.00 63.51 N ATOM 57 CA LYS A 4 11.000 -8.177 -2.863 1.00 21.25 C ATOM 58 C LYS A 4 10.137 -9.310 -2.315 1.00 42.41 C ATOM 59 O LYS A 4 10.157 -10.424 -2.837 1.00 30.05 O ATOM 60 CB LYS A 4 12.227 -7.980 -1.970 1.00 3.42 C ATOM 61 CG LYS A 4 13.370 -8.929 -2.287 1.00 75.12 C ATOM 62 CD LYS A 4 14.530 -8.748 -1.323 1.00 35.14 C ATOM 63 CE LYS A 4 15.363 -7.526 -1.677 1.00 22.24 C ATOM 64 NZ LYS A 4 16.219 -7.766 -2.871 1.00 41.24 N ATOM 0 H LYS A 4 10.678 -6.136 -2.504 1.00 63.51 H new ATOM 0 HA LYS A 4 11.328 -8.446 -3.867 1.00 21.25 H new ATOM 0 HB2 LYS A 4 12.579 -6.954 -2.073 1.00 3.42 H new ATOM 0 HB3 LYS A 4 11.933 -8.114 -0.929 1.00 3.42 H new ATOM 0 HG2 LYS A 4 13.013 -9.958 -2.239 1.00 75.12 H new ATOM 0 HG3 LYS A 4 13.714 -8.758 -3.307 1.00 75.12 H new ATOM 0 HD2 LYS A 4 14.148 -8.647 -0.307 1.00 35.14 H new ATOM 0 HD3 LYS A 4 15.161 -9.637 -1.340 1.00 35.14 H new ATOM 0 HE2 LYS A 4 14.703 -6.679 -1.867 1.00 22.24 H new ATOM 0 HE3 LYS A 4 15.991 -7.256 -0.828 1.00 22.24 H new ATOM 0 HZ1 LYS A 4 16.902 -6.988 -2.970 1.00 41.24 H new ATOM 0 HZ2 LYS A 4 16.731 -8.664 -2.756 1.00 41.24 H new ATOM 0 HZ3 LYS A 4 15.623 -7.814 -3.722 1.00 41.24 H new ATOM 78 N GLU A 5 9.380 -9.015 -1.263 1.00 23.44 N ATOM 79 CA GLU A 5 8.510 -10.010 -0.646 1.00 62.03 C ATOM 80 C GLU A 5 7.361 -10.380 -1.579 1.00 54.01 C ATOM 81 O GLU A 5 6.826 -11.487 -1.515 1.00 71.10 O ATOM 82 CB GLU A 5 7.957 -9.484 0.680 1.00 74.23 C ATOM 83 CG GLU A 5 7.484 -10.581 1.619 1.00 11.45 C ATOM 84 CD GLU A 5 8.593 -11.542 1.999 1.00 63.34 C ATOM 85 OE1 GLU A 5 8.304 -12.746 2.162 1.00 34.22 O ATOM 86 OE2 GLU A 5 9.750 -11.092 2.132 1.00 41.21 O ATOM 0 H GLU A 5 9.351 -8.096 -0.820 1.00 23.44 H new ATOM 0 HA GLU A 5 9.102 -10.905 -0.454 1.00 62.03 H new ATOM 0 HB2 GLU A 5 8.729 -8.898 1.179 1.00 74.23 H new ATOM 0 HB3 GLU A 5 7.126 -8.809 0.475 1.00 74.23 H new ATOM 0 HG2 GLU A 5 7.075 -10.129 2.522 1.00 11.45 H new ATOM 0 HG3 GLU A 5 6.674 -11.136 1.145 1.00 11.45 H new ATOM 93 N VAL A 6 6.985 -9.445 -2.446 1.00 12.55 N ATOM 94 CA VAL A 6 5.899 -9.671 -3.392 1.00 64.13 C ATOM 95 C VAL A 6 6.358 -10.544 -4.555 1.00 54.11 C ATOM 96 O VAL A 6 5.570 -11.297 -5.128 1.00 63.12 O ATOM 97 CB VAL A 6 5.352 -8.342 -3.947 1.00 33.53 C ATOM 98 CG1 VAL A 6 4.106 -8.586 -4.785 1.00 21.52 C ATOM 99 CG2 VAL A 6 5.059 -7.372 -2.812 1.00 23.40 C ATOM 0 H VAL A 6 7.417 -8.523 -2.513 1.00 12.55 H new ATOM 0 HA VAL A 6 5.105 -10.182 -2.847 1.00 64.13 H new ATOM 0 HB VAL A 6 6.111 -7.896 -4.589 1.00 33.53 H new ATOM 0 HG11 VAL A 6 3.734 -7.636 -5.169 1.00 21.52 H new ATOM 0 HG12 VAL A 6 4.352 -9.243 -5.619 1.00 21.52 H new ATOM 0 HG13 VAL A 6 3.339 -9.054 -4.168 1.00 21.52 H new ATOM 0 HG21 VAL A 6 4.673 -6.438 -3.222 1.00 23.40 H new ATOM 0 HG22 VAL A 6 4.317 -7.808 -2.143 1.00 23.40 H new ATOM 0 HG23 VAL A 6 5.976 -7.173 -2.257 1.00 23.40 H new ATOM 109 N VAL A 7 7.637 -10.438 -4.899 1.00 63.10 N ATOM 110 CA VAL A 7 8.202 -11.219 -5.993 1.00 61.10 C ATOM 111 C VAL A 7 8.170 -12.710 -5.678 1.00 33.34 C ATOM 112 O VAL A 7 8.101 -13.544 -6.580 1.00 50.34 O ATOM 113 CB VAL A 7 9.654 -10.800 -6.291 1.00 10.12 C ATOM 114 CG1 VAL A 7 10.161 -11.486 -7.550 1.00 34.50 C ATOM 115 CG2 VAL A 7 9.756 -9.288 -6.421 1.00 15.45 C ATOM 0 H VAL A 7 8.302 -9.819 -4.436 1.00 63.10 H new ATOM 0 HA VAL A 7 7.587 -11.023 -6.872 1.00 61.10 H new ATOM 0 HB VAL A 7 10.282 -11.114 -5.457 1.00 10.12 H new ATOM 0 HG11 VAL A 7 11.188 -11.177 -7.744 1.00 34.50 H new ATOM 0 HG12 VAL A 7 10.126 -12.567 -7.414 1.00 34.50 H new ATOM 0 HG13 VAL A 7 9.532 -11.206 -8.395 1.00 34.50 H new ATOM 0 HG21 VAL A 7 10.789 -9.010 -6.631 1.00 15.45 H new ATOM 0 HG22 VAL A 7 9.116 -8.949 -7.235 1.00 15.45 H new ATOM 0 HG23 VAL A 7 9.437 -8.820 -5.490 1.00 15.45 H new ATOM 125 N GLN A 8 8.219 -13.038 -4.391 1.00 23.54 N ATOM 126 CA GLN A 8 8.196 -14.430 -3.956 1.00 72.22 C ATOM 127 C GLN A 8 7.015 -15.173 -4.573 1.00 21.01 C ATOM 128 O GLN A 8 7.158 -16.298 -5.049 1.00 33.54 O ATOM 129 CB GLN A 8 8.123 -14.509 -2.430 1.00 75.14 C ATOM 130 CG GLN A 8 8.726 -15.781 -1.857 1.00 63.02 C ATOM 131 CD GLN A 8 7.815 -16.458 -0.852 1.00 62.25 C ATOM 132 OE1 GLN A 8 7.876 -16.179 0.345 1.00 4.12 O ATOM 133 NE2 GLN A 8 6.963 -17.354 -1.336 1.00 31.53 N ATOM 0 H GLN A 8 8.275 -12.359 -3.632 1.00 23.54 H new ATOM 0 HA GLN A 8 9.117 -14.905 -4.293 1.00 72.22 H new ATOM 0 HB2 GLN A 8 8.640 -13.648 -2.005 1.00 75.14 H new ATOM 0 HB3 GLN A 8 7.080 -14.440 -2.120 1.00 75.14 H new ATOM 0 HG2 GLN A 8 8.942 -16.474 -2.670 1.00 63.02 H new ATOM 0 HG3 GLN A 8 9.676 -15.544 -1.378 1.00 63.02 H new ATOM 0 HE21 GLN A 8 6.947 -17.554 -2.336 1.00 31.53 H new ATOM 0 HE22 GLN A 8 6.325 -17.842 -0.708 1.00 31.53 H new ATOM 142 N ASN A 9 5.849 -14.535 -4.560 1.00 62.13 N ATOM 143 CA ASN A 9 4.643 -15.136 -5.118 1.00 30.43 C ATOM 144 C ASN A 9 4.773 -15.317 -6.627 1.00 71.20 C ATOM 145 O ASN A 9 4.135 -16.189 -7.215 1.00 62.45 O ATOM 146 CB ASN A 9 3.423 -14.270 -4.800 1.00 35.13 C ATOM 147 CG ASN A 9 2.237 -14.593 -5.689 1.00 2.41 C ATOM 148 OD1 ASN A 9 1.431 -15.468 -5.374 1.00 13.21 O ATOM 149 ND2 ASN A 9 2.127 -13.885 -6.807 1.00 52.02 N ATOM 0 H ASN A 9 5.714 -13.603 -4.169 1.00 62.13 H new ATOM 0 HA ASN A 9 4.512 -16.118 -4.663 1.00 30.43 H new ATOM 0 HB2 ASN A 9 3.141 -14.413 -3.757 1.00 35.13 H new ATOM 0 HB3 ASN A 9 3.686 -13.219 -4.918 1.00 35.13 H new ATOM 0 HD21 ASN A 9 1.350 -14.057 -7.445 1.00 52.02 H new ATOM 0 HD22 ASN A 9 2.819 -13.169 -7.027 1.00 52.02 H new ATOM 156 N GLY A 10 5.605 -14.486 -7.248 1.00 34.10 N ATOM 157 CA GLY A 10 5.804 -14.571 -8.683 1.00 12.31 C ATOM 158 C GLY A 10 6.887 -15.561 -9.060 1.00 65.14 C ATOM 159 O GLY A 10 6.878 -16.110 -10.162 1.00 20.44 O ATOM 0 H GLY A 10 6.144 -13.756 -6.783 1.00 34.10 H new ATOM 0 HA2 GLY A 10 4.868 -14.862 -9.160 1.00 12.31 H new ATOM 0 HA3 GLY A 10 6.066 -13.586 -9.069 1.00 12.31 H new ATOM 163 N GLN A 11 7.824 -15.788 -8.145 1.00 64.14 N ATOM 164 CA GLN A 11 8.921 -16.717 -8.390 1.00 21.41 C ATOM 165 C GLN A 11 8.518 -18.143 -8.027 1.00 52.24 C ATOM 166 O GLN A 11 8.863 -19.095 -8.728 1.00 41.01 O ATOM 167 CB GLN A 11 10.156 -16.304 -7.587 1.00 60.44 C ATOM 168 CG GLN A 11 10.660 -14.909 -7.921 1.00 32.41 C ATOM 169 CD GLN A 11 11.587 -14.895 -9.120 1.00 70.02 C ATOM 170 OE1 GLN A 11 11.441 -15.699 -10.042 1.00 2.42 O ATOM 171 NE2 GLN A 11 12.548 -13.979 -9.115 1.00 10.31 N ATOM 0 H GLN A 11 7.846 -15.342 -7.228 1.00 64.14 H new ATOM 0 HA GLN A 11 9.160 -16.685 -9.453 1.00 21.41 H new ATOM 0 HB2 GLN A 11 9.920 -16.351 -6.524 1.00 60.44 H new ATOM 0 HB3 GLN A 11 10.955 -17.023 -7.769 1.00 60.44 H new ATOM 0 HG2 GLN A 11 9.809 -14.257 -8.117 1.00 32.41 H new ATOM 0 HG3 GLN A 11 11.183 -14.499 -7.057 1.00 32.41 H new ATOM 0 HE21 GLN A 11 12.632 -13.333 -8.330 1.00 10.31 H new ATOM 0 HE22 GLN A 11 13.202 -13.922 -9.896 1.00 10.31 H new ATOM 180 N THR A 12 7.785 -18.284 -6.927 1.00 54.33 N ATOM 181 CA THR A 12 7.335 -19.593 -6.471 1.00 5.24 C ATOM 182 C THR A 12 6.636 -20.356 -7.590 1.00 2.51 C ATOM 183 O THR A 12 6.672 -21.586 -7.632 1.00 2.31 O ATOM 184 CB THR A 12 6.377 -19.471 -5.271 1.00 52.21 C ATOM 185 OG1 THR A 12 6.040 -20.773 -4.778 1.00 44.45 O ATOM 186 CG2 THR A 12 5.109 -18.729 -5.665 1.00 54.22 C ATOM 0 H THR A 12 7.490 -17.507 -6.335 1.00 54.33 H new ATOM 0 HA THR A 12 8.224 -20.142 -6.162 1.00 5.24 H new ATOM 0 HB THR A 12 6.882 -18.906 -4.487 1.00 52.21 H new ATOM 0 HG1 THR A 12 5.432 -20.686 -4.014 1.00 44.45 H new ATOM 0 HG21 THR A 12 4.448 -18.655 -4.802 1.00 54.22 H new ATOM 0 HG22 THR A 12 5.366 -17.728 -6.012 1.00 54.22 H new ATOM 0 HG23 THR A 12 4.603 -19.271 -6.464 1.00 54.22 H new ATOM 194 N ILE A 13 6.002 -19.618 -8.495 1.00 74.51 N ATOM 195 CA ILE A 13 5.296 -20.227 -9.616 1.00 13.40 C ATOM 196 C ILE A 13 6.200 -20.340 -10.839 1.00 13.22 C ATOM 197 O ILE A 13 6.000 -21.202 -11.694 1.00 71.43 O ATOM 198 CB ILE A 13 4.039 -19.421 -9.994 1.00 14.14 C ATOM 199 CG1 ILE A 13 3.137 -19.238 -8.771 1.00 21.00 C ATOM 200 CG2 ILE A 13 3.283 -20.114 -11.117 1.00 74.50 C ATOM 201 CD1 ILE A 13 2.610 -20.540 -8.209 1.00 53.30 C ATOM 0 H ILE A 13 5.963 -18.599 -8.474 1.00 74.51 H new ATOM 0 HA ILE A 13 4.996 -21.225 -9.295 1.00 13.40 H new ATOM 0 HB ILE A 13 4.349 -18.436 -10.345 1.00 14.14 H new ATOM 0 HG12 ILE A 13 3.694 -18.715 -7.994 1.00 21.00 H new ATOM 0 HG13 ILE A 13 2.295 -18.601 -9.043 1.00 21.00 H new ATOM 0 HG21 ILE A 13 2.397 -19.532 -11.373 1.00 74.50 H new ATOM 0 HG22 ILE A 13 3.927 -20.197 -11.992 1.00 74.50 H new ATOM 0 HG23 ILE A 13 2.982 -21.110 -10.792 1.00 74.50 H new ATOM 0 HD11 ILE A 13 1.979 -20.334 -7.345 1.00 53.30 H new ATOM 0 HD12 ILE A 13 2.025 -21.055 -8.971 1.00 53.30 H new ATOM 0 HD13 ILE A 13 3.446 -21.170 -7.906 1.00 53.30 H new ATOM 213 N PHE A 14 7.196 -19.464 -10.914 1.00 41.22 N ATOM 214 CA PHE A 14 8.133 -19.465 -12.032 1.00 74.40 C ATOM 215 C PHE A 14 9.136 -20.607 -11.899 1.00 43.01 C ATOM 216 O PHE A 14 9.250 -21.454 -12.785 1.00 20.11 O ATOM 217 CB PHE A 14 8.872 -18.128 -12.108 1.00 14.32 C ATOM 218 CG PHE A 14 9.847 -18.046 -13.247 1.00 3.43 C ATOM 219 CD1 PHE A 14 11.212 -18.079 -13.011 1.00 2.32 C ATOM 220 CD2 PHE A 14 9.399 -17.935 -14.553 1.00 45.33 C ATOM 221 CE1 PHE A 14 12.113 -18.004 -14.057 1.00 12.33 C ATOM 222 CE2 PHE A 14 10.295 -17.860 -15.603 1.00 43.30 C ATOM 223 CZ PHE A 14 11.654 -17.893 -15.354 1.00 74.04 C ATOM 0 H PHE A 14 7.375 -18.744 -10.214 1.00 41.22 H new ATOM 0 HA PHE A 14 7.564 -19.609 -12.950 1.00 74.40 H new ATOM 0 HB2 PHE A 14 8.143 -17.324 -12.206 1.00 14.32 H new ATOM 0 HB3 PHE A 14 9.405 -17.963 -11.172 1.00 14.32 H new ATOM 0 HD1 PHE A 14 11.576 -18.164 -11.998 1.00 2.32 H new ATOM 0 HD2 PHE A 14 8.338 -17.907 -14.753 1.00 45.33 H new ATOM 0 HE1 PHE A 14 13.174 -18.032 -13.860 1.00 12.33 H new ATOM 0 HE2 PHE A 14 9.933 -17.776 -16.617 1.00 43.30 H new ATOM 0 HZ PHE A 14 12.356 -17.832 -16.173 1.00 74.04 H new ATOM 233 N SER A 15 9.863 -20.622 -10.786 1.00 14.30 N ATOM 234 CA SER A 15 10.860 -21.656 -10.538 1.00 3.11 C ATOM 235 C SER A 15 10.237 -23.045 -10.631 1.00 61.41 C ATOM 236 O SER A 15 10.911 -24.019 -10.966 1.00 43.34 O ATOM 237 CB SER A 15 11.496 -21.461 -9.160 1.00 11.00 C ATOM 238 OG SER A 15 12.610 -22.319 -8.986 1.00 71.33 O ATOM 0 H SER A 15 9.780 -19.929 -10.042 1.00 14.30 H new ATOM 0 HA SER A 15 11.633 -21.572 -11.302 1.00 3.11 H new ATOM 0 HB2 SER A 15 11.811 -20.424 -9.045 1.00 11.00 H new ATOM 0 HB3 SER A 15 10.757 -21.658 -8.384 1.00 11.00 H new ATOM 0 HG SER A 15 12.999 -22.174 -8.098 1.00 71.33 H new ATOM 244 N ALA A 16 8.945 -23.129 -10.331 1.00 50.24 N ATOM 245 CA ALA A 16 8.229 -24.397 -10.383 1.00 22.51 C ATOM 246 C ALA A 16 8.293 -25.007 -11.779 1.00 73.31 C ATOM 247 O ALA A 16 8.175 -26.221 -11.943 1.00 1.11 O ATOM 248 CB ALA A 16 6.782 -24.205 -9.954 1.00 41.33 C ATOM 0 H ALA A 16 8.373 -22.333 -10.049 1.00 50.24 H new ATOM 0 HA ALA A 16 8.712 -25.087 -9.691 1.00 22.51 H new ATOM 0 HB1 ALA A 16 6.260 -25.161 -9.998 1.00 41.33 H new ATOM 0 HB2 ALA A 16 6.753 -23.822 -8.934 1.00 41.33 H new ATOM 0 HB3 ALA A 16 6.296 -23.495 -10.622 1.00 41.33 H new ATOM 254 N GLY A 17 8.479 -24.157 -12.784 1.00 13.51 N ATOM 255 CA GLY A 17 8.554 -24.631 -14.153 1.00 55.23 C ATOM 256 C GLY A 17 9.653 -25.655 -14.353 1.00 0.01 C ATOM 257 O GLY A 17 9.617 -26.436 -15.304 1.00 12.44 O ATOM 0 H GLY A 17 8.579 -23.148 -12.674 1.00 13.51 H new ATOM 0 HA2 GLY A 17 7.597 -25.070 -14.435 1.00 55.23 H new ATOM 0 HA3 GLY A 17 8.725 -23.785 -14.818 1.00 55.23 H new ATOM 261 N GLN A 18 10.633 -25.651 -13.456 1.00 5.14 N ATOM 262 CA GLN A 18 11.749 -26.586 -13.540 1.00 4.42 C ATOM 263 C GLN A 18 11.450 -27.863 -12.762 1.00 55.13 C ATOM 264 O GLN A 18 11.824 -28.959 -13.179 1.00 62.04 O ATOM 265 CB GLN A 18 13.027 -25.937 -13.005 1.00 1.33 C ATOM 266 CG GLN A 18 13.408 -24.656 -13.729 1.00 44.21 C ATOM 267 CD GLN A 18 14.385 -23.807 -12.939 1.00 64.43 C ATOM 268 OE1 GLN A 18 15.344 -24.320 -12.361 1.00 43.13 O ATOM 269 NE2 GLN A 18 14.147 -22.501 -12.911 1.00 21.44 N ATOM 0 H GLN A 18 10.677 -25.011 -12.663 1.00 5.14 H new ATOM 0 HA GLN A 18 11.893 -26.846 -14.589 1.00 4.42 H new ATOM 0 HB2 GLN A 18 12.898 -25.721 -11.945 1.00 1.33 H new ATOM 0 HB3 GLN A 18 13.848 -26.649 -13.087 1.00 1.33 H new ATOM 0 HG2 GLN A 18 13.848 -24.906 -14.694 1.00 44.21 H new ATOM 0 HG3 GLN A 18 12.508 -24.075 -13.930 1.00 44.21 H new ATOM 0 HE21 GLN A 18 13.340 -22.119 -13.404 1.00 21.44 H new ATOM 0 HE22 GLN A 18 14.771 -21.880 -12.396 1.00 21.44 H new ATOM 278 N LYS A 19 10.772 -27.714 -11.629 1.00 73.41 N ATOM 279 CA LYS A 19 10.420 -28.856 -10.792 1.00 50.54 C ATOM 280 C LYS A 19 9.261 -29.639 -11.400 1.00 61.22 C ATOM 281 O LYS A 19 9.128 -30.843 -11.177 1.00 72.31 O ATOM 282 CB LYS A 19 10.049 -28.386 -9.384 1.00 31.12 C ATOM 283 CG LYS A 19 11.181 -27.676 -8.661 1.00 52.05 C ATOM 284 CD LYS A 19 10.763 -27.233 -7.269 1.00 71.42 C ATOM 285 CE LYS A 19 10.839 -28.380 -6.273 1.00 64.53 C ATOM 286 NZ LYS A 19 12.240 -28.650 -5.845 1.00 32.52 N ATOM 0 H LYS A 19 10.455 -26.814 -11.269 1.00 73.41 H new ATOM 0 HA LYS A 19 11.288 -29.513 -10.733 1.00 50.54 H new ATOM 0 HB2 LYS A 19 9.193 -27.715 -9.448 1.00 31.12 H new ATOM 0 HB3 LYS A 19 9.736 -29.247 -8.794 1.00 31.12 H new ATOM 0 HG2 LYS A 19 12.042 -28.341 -8.589 1.00 52.05 H new ATOM 0 HG3 LYS A 19 11.496 -26.808 -9.240 1.00 52.05 H new ATOM 0 HD2 LYS A 19 11.406 -26.418 -6.937 1.00 71.42 H new ATOM 0 HD3 LYS A 19 9.745 -26.844 -7.300 1.00 71.42 H new ATOM 0 HE2 LYS A 19 10.231 -28.144 -5.399 1.00 64.53 H new ATOM 0 HE3 LYS A 19 10.416 -29.279 -6.721 1.00 64.53 H new ATOM 0 HZ1 LYS A 19 12.242 -29.380 -5.104 1.00 32.52 H new ATOM 0 HZ2 LYS A 19 12.794 -28.982 -6.660 1.00 32.52 H new ATOM 0 HZ3 LYS A 19 12.663 -27.777 -5.471 1.00 32.52 H new ATOM 300 N LEU A 20 8.426 -28.950 -12.170 1.00 1.02 N ATOM 301 CA LEU A 20 7.279 -29.582 -12.812 1.00 33.23 C ATOM 302 C LEU A 20 7.617 -30.004 -14.238 1.00 32.31 C ATOM 303 O LEU A 20 6.742 -30.417 -14.998 1.00 52.41 O ATOM 304 CB LEU A 20 6.084 -28.627 -12.820 1.00 72.11 C ATOM 305 CG LEU A 20 4.761 -29.202 -12.311 1.00 65.00 C ATOM 306 CD1 LEU A 20 4.342 -30.399 -13.150 1.00 31.34 C ATOM 307 CD2 LEU A 20 4.878 -29.590 -10.844 1.00 62.43 C ATOM 0 H LEU A 20 8.522 -27.953 -12.365 1.00 1.02 H new ATOM 0 HA LEU A 20 7.020 -30.474 -12.241 1.00 33.23 H new ATOM 0 HB2 LEU A 20 6.336 -27.757 -12.214 1.00 72.11 H new ATOM 0 HB3 LEU A 20 5.935 -28.273 -13.840 1.00 72.11 H new ATOM 0 HG LEU A 20 3.993 -28.434 -12.403 1.00 65.00 H new ATOM 0 HD11 LEU A 20 3.399 -30.795 -12.773 1.00 31.34 H new ATOM 0 HD12 LEU A 20 4.217 -30.090 -14.188 1.00 31.34 H new ATOM 0 HD13 LEU A 20 5.109 -31.171 -13.091 1.00 31.34 H new ATOM 0 HD21 LEU A 20 3.928 -29.997 -10.498 1.00 62.43 H new ATOM 0 HD22 LEU A 20 5.659 -30.342 -10.728 1.00 62.43 H new ATOM 0 HD23 LEU A 20 5.131 -28.709 -10.254 1.00 62.43 H new ATOM 319 N GLY A 21 8.894 -29.900 -14.594 1.00 32.24 N ATOM 320 CA GLY A 21 9.325 -30.277 -15.927 1.00 5.11 C ATOM 321 C GLY A 21 10.510 -31.222 -15.907 1.00 44.03 C ATOM 322 O GLY A 21 10.618 -32.110 -16.752 1.00 23.13 O ATOM 0 H GLY A 21 9.637 -29.561 -13.983 1.00 32.24 H new ATOM 0 HA2 GLY A 21 8.496 -30.750 -16.454 1.00 5.11 H new ATOM 0 HA3 GLY A 21 9.589 -29.380 -16.488 1.00 5.11 H new ATOM 326 N ASN A 22 11.403 -31.030 -14.941 1.00 51.44 N ATOM 327 CA ASN A 22 12.588 -31.871 -14.817 1.00 13.12 C ATOM 328 C ASN A 22 12.220 -33.252 -14.283 1.00 62.22 C ATOM 329 O ASN A 22 12.845 -34.252 -14.637 1.00 53.35 O ATOM 330 CB ASN A 22 13.613 -31.211 -13.892 1.00 54.23 C ATOM 331 CG ASN A 22 13.320 -31.469 -12.427 1.00 24.41 C ATOM 332 OD1 ASN A 22 12.215 -31.216 -11.949 1.00 13.52 O ATOM 333 ND2 ASN A 22 14.314 -31.977 -11.706 1.00 53.13 N ATOM 0 H ASN A 22 11.328 -30.300 -14.233 1.00 51.44 H new ATOM 0 HA ASN A 22 13.026 -31.988 -15.808 1.00 13.12 H new ATOM 0 HB2 ASN A 22 14.608 -31.585 -14.132 1.00 54.23 H new ATOM 0 HB3 ASN A 22 13.624 -30.136 -14.074 1.00 54.23 H new ATOM 0 HD21 ASN A 22 14.177 -32.173 -10.714 1.00 53.13 H new ATOM 0 HD22 ASN A 22 15.214 -32.171 -12.144 1.00 53.13 H new ATOM 340 N MET A 23 11.202 -33.299 -13.430 1.00 25.41 N ATOM 341 CA MET A 23 10.751 -34.558 -12.849 1.00 34.31 C ATOM 342 C MET A 23 9.935 -35.361 -13.858 1.00 2.03 C ATOM 343 O MET A 23 9.862 -36.587 -13.776 1.00 72.24 O ATOM 344 CB MET A 23 9.915 -34.295 -11.594 1.00 42.05 C ATOM 345 CG MET A 23 8.525 -33.757 -11.892 1.00 41.20 C ATOM 346 SD MET A 23 7.568 -33.441 -10.397 1.00 51.00 S ATOM 347 CE MET A 23 7.070 -35.104 -9.956 1.00 70.12 C ATOM 0 H MET A 23 10.674 -32.481 -13.126 1.00 25.41 H new ATOM 0 HA MET A 23 11.632 -35.139 -12.575 1.00 34.31 H new ATOM 0 HB2 MET A 23 9.823 -35.222 -11.028 1.00 42.05 H new ATOM 0 HB3 MET A 23 10.442 -33.584 -10.958 1.00 42.05 H new ATOM 0 HG2 MET A 23 8.612 -32.834 -12.465 1.00 41.20 H new ATOM 0 HG3 MET A 23 7.989 -34.471 -12.517 1.00 41.20 H new ATOM 0 HE1 MET A 23 6.028 -35.099 -9.637 1.00 70.12 H new ATOM 0 HE2 MET A 23 7.182 -35.759 -10.820 1.00 70.12 H new ATOM 0 HE3 MET A 23 7.697 -35.468 -9.142 1.00 70.12 H new ATOM 357 N VAL A 24 9.323 -34.661 -14.808 1.00 65.41 N ATOM 358 CA VAL A 24 8.514 -35.309 -15.833 1.00 70.32 C ATOM 359 C VAL A 24 9.383 -36.120 -16.788 1.00 74.32 C ATOM 360 O VAL A 24 9.204 -37.329 -16.932 1.00 54.13 O ATOM 361 CB VAL A 24 7.704 -34.279 -16.643 1.00 32.33 C ATOM 362 CG1 VAL A 24 6.649 -34.975 -17.489 1.00 35.55 C ATOM 363 CG2 VAL A 24 7.066 -33.256 -15.715 1.00 71.13 C ATOM 0 H VAL A 24 9.372 -33.645 -14.889 1.00 65.41 H new ATOM 0 HA VAL A 24 7.825 -35.977 -15.317 1.00 70.32 H new ATOM 0 HB VAL A 24 8.384 -33.754 -17.314 1.00 32.33 H new ATOM 0 HG11 VAL A 24 6.087 -34.231 -18.054 1.00 35.55 H new ATOM 0 HG12 VAL A 24 7.134 -35.665 -18.180 1.00 35.55 H new ATOM 0 HG13 VAL A 24 5.969 -35.528 -16.841 1.00 35.55 H new ATOM 0 HG21 VAL A 24 6.498 -32.536 -16.303 1.00 71.13 H new ATOM 0 HG22 VAL A 24 6.398 -33.763 -15.018 1.00 71.13 H new ATOM 0 HG23 VAL A 24 7.844 -32.735 -15.157 1.00 71.13 H new ATOM 373 N GLY A 25 10.326 -35.446 -17.439 1.00 72.12 N ATOM 374 CA GLY A 25 11.209 -36.120 -18.373 1.00 22.35 C ATOM 375 C GLY A 25 12.334 -36.860 -17.675 1.00 53.13 C ATOM 376 O GLY A 25 13.168 -37.492 -18.324 1.00 51.21 O ATOM 0 H GLY A 25 10.494 -34.445 -17.336 1.00 72.12 H new ATOM 0 HA2 GLY A 25 10.631 -36.824 -18.971 1.00 22.35 H new ATOM 0 HA3 GLY A 25 11.632 -35.388 -19.062 1.00 22.35 H new ATOM 380 N LYS A 26 12.359 -36.781 -16.349 1.00 51.12 N ATOM 381 CA LYS A 26 13.389 -37.447 -15.562 1.00 24.41 C ATOM 382 C LYS A 26 13.494 -38.922 -15.940 1.00 4.53 C ATOM 383 O LYS A 26 12.555 -39.500 -16.487 1.00 42.21 O ATOM 384 CB LYS A 26 13.086 -37.313 -14.068 1.00 74.21 C ATOM 385 CG LYS A 26 14.329 -37.257 -13.197 1.00 73.32 C ATOM 386 CD LYS A 26 14.960 -35.875 -13.215 1.00 20.24 C ATOM 387 CE LYS A 26 16.140 -35.789 -12.259 1.00 21.53 C ATOM 388 NZ LYS A 26 17.198 -36.783 -12.593 1.00 33.23 N ATOM 0 H LYS A 26 11.677 -36.262 -15.797 1.00 51.12 H new ATOM 0 HA LYS A 26 14.343 -36.966 -15.777 1.00 24.41 H new ATOM 0 HB2 LYS A 26 12.498 -36.410 -13.905 1.00 74.21 H new ATOM 0 HB3 LYS A 26 12.470 -38.156 -13.754 1.00 74.21 H new ATOM 0 HG2 LYS A 26 14.069 -37.526 -12.173 1.00 73.32 H new ATOM 0 HG3 LYS A 26 15.053 -37.993 -13.546 1.00 73.32 H new ATOM 0 HD2 LYS A 26 15.291 -35.638 -14.226 1.00 20.24 H new ATOM 0 HD3 LYS A 26 14.214 -35.129 -12.941 1.00 20.24 H new ATOM 0 HE2 LYS A 26 16.562 -34.785 -12.292 1.00 21.53 H new ATOM 0 HE3 LYS A 26 15.794 -35.956 -11.239 1.00 21.53 H new ATOM 0 HZ1 LYS A 26 18.057 -36.573 -12.045 1.00 33.23 H new ATOM 0 HZ2 LYS A 26 16.863 -37.739 -12.359 1.00 33.23 H new ATOM 0 HZ3 LYS A 26 17.414 -36.731 -13.609 1.00 33.23 H new ATOM 402 N ILE A 27 14.641 -39.523 -15.643 1.00 22.41 N ATOM 403 CA ILE A 27 14.867 -40.930 -15.949 1.00 74.53 C ATOM 404 C ILE A 27 14.387 -41.825 -14.811 1.00 54.32 C ATOM 405 O ILE A 27 13.363 -42.498 -14.926 1.00 35.20 O ATOM 406 CB ILE A 27 16.356 -41.216 -16.219 1.00 33.52 C ATOM 407 CG1 ILE A 27 16.857 -40.367 -17.388 1.00 61.05 C ATOM 408 CG2 ILE A 27 16.568 -42.696 -16.502 1.00 60.03 C ATOM 409 CD1 ILE A 27 17.392 -39.016 -16.968 1.00 51.24 C ATOM 0 H ILE A 27 15.428 -39.058 -15.191 1.00 22.41 H new ATOM 0 HA ILE A 27 14.294 -41.152 -16.849 1.00 74.53 H new ATOM 0 HB ILE A 27 16.929 -40.950 -15.331 1.00 33.52 H new ATOM 0 HG12 ILE A 27 17.642 -40.912 -17.912 1.00 61.05 H new ATOM 0 HG13 ILE A 27 16.042 -40.222 -18.097 1.00 61.05 H new ATOM 0 HG21 ILE A 27 17.625 -42.883 -16.691 1.00 60.03 H new ATOM 0 HG22 ILE A 27 16.244 -43.281 -15.641 1.00 60.03 H new ATOM 0 HG23 ILE A 27 15.986 -42.986 -17.377 1.00 60.03 H new ATOM 0 HD11 ILE A 27 17.730 -38.469 -17.848 1.00 51.24 H new ATOM 0 HD12 ILE A 27 16.604 -38.451 -16.470 1.00 51.24 H new ATOM 0 HD13 ILE A 27 18.229 -39.153 -16.283 1.00 51.24 H new ATOM 421 N VAL A 28 15.133 -41.825 -13.711 1.00 52.01 N ATOM 422 CA VAL A 28 14.782 -42.634 -12.550 1.00 3.12 C ATOM 423 C VAL A 28 14.695 -41.779 -11.291 1.00 2.14 C ATOM 424 O VAL A 28 15.296 -40.708 -11.194 1.00 74.43 O ATOM 425 CB VAL A 28 15.806 -43.762 -12.322 1.00 3.44 C ATOM 426 CG1 VAL A 28 15.572 -44.902 -13.301 1.00 3.31 C ATOM 427 CG2 VAL A 28 17.225 -43.226 -12.444 1.00 13.51 C ATOM 0 H VAL A 28 15.984 -41.274 -13.599 1.00 52.01 H new ATOM 0 HA VAL A 28 13.806 -43.075 -12.754 1.00 3.12 H new ATOM 0 HB VAL A 28 15.674 -44.150 -11.312 1.00 3.44 H new ATOM 0 HG11 VAL A 28 16.305 -45.689 -13.125 1.00 3.31 H new ATOM 0 HG12 VAL A 28 14.568 -45.302 -13.160 1.00 3.31 H new ATOM 0 HG13 VAL A 28 15.675 -44.532 -14.321 1.00 3.31 H new ATOM 0 HG21 VAL A 28 17.935 -44.036 -12.280 1.00 13.51 H new ATOM 0 HG22 VAL A 28 17.372 -42.810 -13.441 1.00 13.51 H new ATOM 0 HG23 VAL A 28 17.385 -42.447 -11.699 1.00 13.51 H new ATOM 437 N PRO A 29 13.930 -42.261 -10.300 1.00 1.11 N ATOM 438 CA PRO A 29 13.747 -41.557 -9.027 1.00 71.02 C ATOM 439 C PRO A 29 15.014 -41.554 -8.179 1.00 0.40 C ATOM 440 O PRO A 29 15.976 -42.261 -8.479 1.00 65.23 O ATOM 441 CB PRO A 29 12.642 -42.359 -8.334 1.00 51.55 C ATOM 442 CG PRO A 29 12.738 -43.724 -8.923 1.00 43.42 C ATOM 443 CD PRO A 29 13.185 -43.530 -10.346 1.00 25.52 C ATOM 0 HA PRO A 29 13.501 -40.505 -9.175 1.00 71.02 H new ATOM 0 HB2 PRO A 29 12.788 -42.383 -7.254 1.00 51.55 H new ATOM 0 HB3 PRO A 29 11.661 -41.919 -8.513 1.00 51.55 H new ATOM 0 HG2 PRO A 29 13.449 -44.338 -8.371 1.00 43.42 H new ATOM 0 HG3 PRO A 29 11.776 -44.235 -8.882 1.00 43.42 H new ATOM 0 HD2 PRO A 29 13.814 -44.353 -10.685 1.00 25.52 H new ATOM 0 HD3 PRO A 29 12.338 -43.474 -11.029 1.00 25.52 H new ATOM 451 N LEU A 30 15.008 -40.754 -7.118 1.00 41.34 N ATOM 452 CA LEU A 30 16.158 -40.659 -6.225 1.00 52.44 C ATOM 453 C LEU A 30 16.554 -42.035 -5.700 1.00 45.50 C ATOM 454 O LEU A 30 15.772 -42.985 -5.724 1.00 13.43 O ATOM 455 CB LEU A 30 15.844 -39.724 -5.055 1.00 72.45 C ATOM 456 CG LEU A 30 16.165 -38.245 -5.273 1.00 20.33 C ATOM 457 CD1 LEU A 30 15.124 -37.600 -6.175 1.00 24.03 C ATOM 458 CD2 LEU A 30 16.244 -37.515 -3.940 1.00 25.52 C ATOM 0 H LEU A 30 14.220 -40.162 -6.855 1.00 41.34 H new ATOM 0 HA LEU A 30 16.995 -40.252 -6.792 1.00 52.44 H new ATOM 0 HB2 LEU A 30 14.784 -39.814 -4.818 1.00 72.45 H new ATOM 0 HB3 LEU A 30 16.396 -40.070 -4.181 1.00 72.45 H new ATOM 0 HG LEU A 30 17.136 -38.172 -5.763 1.00 20.33 H new ATOM 0 HD11 LEU A 30 15.369 -36.548 -6.319 1.00 24.03 H new ATOM 0 HD12 LEU A 30 15.116 -38.106 -7.141 1.00 24.03 H new ATOM 0 HD13 LEU A 30 14.140 -37.684 -5.713 1.00 24.03 H new ATOM 0 HD21 LEU A 30 16.473 -36.464 -4.114 1.00 25.52 H new ATOM 0 HD22 LEU A 30 15.288 -37.597 -3.423 1.00 25.52 H new ATOM 0 HD23 LEU A 30 17.027 -37.961 -3.327 1.00 25.52 H new ATOM 470 N PRO A 31 17.799 -42.146 -5.212 1.00 12.31 N ATOM 471 CA PRO A 31 18.327 -43.401 -4.668 1.00 51.45 C ATOM 472 C PRO A 31 17.669 -43.782 -3.347 1.00 21.22 C ATOM 473 O PRO A 31 17.451 -44.962 -3.068 1.00 42.50 O ATOM 474 CB PRO A 31 19.813 -43.099 -4.459 1.00 12.13 C ATOM 475 CG PRO A 31 19.879 -41.620 -4.288 1.00 33.40 C ATOM 476 CD PRO A 31 18.786 -41.055 -5.152 1.00 50.42 C ATOM 0 HA PRO A 31 18.139 -44.245 -5.332 1.00 51.45 H new ATOM 0 HB2 PRO A 31 20.203 -43.617 -3.582 1.00 12.13 H new ATOM 0 HB3 PRO A 31 20.407 -43.426 -5.312 1.00 12.13 H new ATOM 0 HG2 PRO A 31 19.735 -41.341 -3.244 1.00 33.40 H new ATOM 0 HG3 PRO A 31 20.853 -41.235 -4.589 1.00 33.40 H new ATOM 0 HD2 PRO A 31 18.359 -40.150 -4.719 1.00 50.42 H new ATOM 0 HD3 PRO A 31 19.154 -40.791 -6.144 1.00 50.42 H new ATOM 484 N PHE A 32 17.354 -42.778 -2.536 1.00 42.50 N ATOM 485 CA PHE A 32 16.721 -43.008 -1.243 1.00 23.33 C ATOM 486 C PHE A 32 15.230 -42.692 -1.303 1.00 11.52 C ATOM 487 O PHE A 32 14.396 -43.495 -0.887 1.00 61.02 O ATOM 488 CB PHE A 32 17.392 -42.156 -0.163 1.00 61.14 C ATOM 489 CG PHE A 32 18.688 -42.730 0.333 1.00 4.55 C ATOM 490 CD1 PHE A 32 19.864 -42.002 0.241 1.00 52.12 C ATOM 491 CD2 PHE A 32 18.731 -43.996 0.893 1.00 64.52 C ATOM 492 CE1 PHE A 32 21.058 -42.526 0.697 1.00 24.54 C ATOM 493 CE2 PHE A 32 19.923 -44.526 1.352 1.00 52.05 C ATOM 494 CZ PHE A 32 21.088 -43.791 1.253 1.00 51.34 C ATOM 0 H PHE A 32 17.527 -41.796 -2.752 1.00 42.50 H new ATOM 0 HA PHE A 32 16.841 -44.062 -0.991 1.00 23.33 H new ATOM 0 HB2 PHE A 32 17.574 -41.157 -0.560 1.00 61.14 H new ATOM 0 HB3 PHE A 32 16.708 -42.044 0.678 1.00 61.14 H new ATOM 0 HD1 PHE A 32 19.847 -41.013 -0.193 1.00 52.12 H new ATOM 0 HD2 PHE A 32 17.823 -44.576 0.972 1.00 64.52 H new ATOM 0 HE1 PHE A 32 21.967 -41.948 0.619 1.00 24.54 H new ATOM 0 HE2 PHE A 32 19.943 -45.514 1.788 1.00 52.05 H new ATOM 0 HZ PHE A 32 22.020 -44.204 1.609 1.00 51.34 H new ATOM 504 N GLY A 33 14.902 -41.513 -1.823 1.00 53.23 N ATOM 505 CA GLY A 33 13.512 -41.109 -1.928 1.00 74.20 C ATOM 506 C GLY A 33 13.098 -40.161 -0.820 1.00 43.22 C ATOM 507 O GLY A 33 12.115 -39.432 -0.953 1.00 5.32 O ATOM 0 H GLY A 33 15.574 -40.830 -2.173 1.00 53.23 H new ATOM 0 HA2 GLY A 33 13.348 -40.629 -2.893 1.00 74.20 H new ATOM 0 HA3 GLY A 33 12.877 -41.994 -1.901 1.00 74.20 H new TER 511 GLY A 33