USER MOD reduce.3.24.130724 H: found=0, std=0, add=259, rem=0, adj=5 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+ -149:sc= 0.538 (180deg=0.124) USER MOD Single : A 4 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0131) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 ASN : amide:sc= -0.083 K(o=-0.083,f=-1.5!) USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-1.9!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc=-0.000923 USER MOD Single : A 18 GLN : amide:sc= -0.0744 X(o=-0.074,f=-0.44) USER MOD Single : A 19 LYS NZ :NH3+ -167:sc=-0.00311 (180deg=-0.134) USER MOD Single : A 22 ASN : amide:sc= -0.189 X(o=-0.19,f=-0.0059) 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 4.887 -3.692 3.308 1.00 42.13 N ATOM 2 CA TRP A 1 4.261 -4.395 2.193 1.00 4.53 C ATOM 3 C TRP A 1 4.371 -3.582 0.907 1.00 33.55 C ATOM 4 O TRP A 1 4.354 -2.353 0.936 1.00 50.34 O ATOM 5 CB TRP A 1 2.792 -4.683 2.506 1.00 41.42 C ATOM 6 CG TRP A 1 2.050 -3.489 3.026 1.00 43.41 C ATOM 7 CD1 TRP A 1 1.730 -2.357 2.332 1.00 11.32 C ATOM 8 CD2 TRP A 1 1.538 -3.308 4.351 1.00 63.13 C ATOM 9 NE1 TRP A 1 1.050 -1.483 3.146 1.00 34.21 N ATOM 10 CE2 TRP A 1 0.918 -2.044 4.389 1.00 4.30 C ATOM 11 CE3 TRP A 1 1.541 -4.092 5.507 1.00 2.05 C ATOM 12 CZ2 TRP A 1 0.310 -1.548 5.539 1.00 1.11 C ATOM 13 CZ3 TRP A 1 0.937 -3.598 6.648 1.00 24.32 C ATOM 14 CH2 TRP A 1 0.328 -2.337 6.657 1.00 10.52 C ATOM 0 H1 TRP A 1 5.273 -4.384 3.982 1.00 42.13 H new ATOM 0 H2 TRP A 1 5.656 -3.090 2.951 1.00 42.13 H new ATOM 0 H3 TRP A 1 4.178 -3.101 3.787 1.00 42.13 H new ATOM 0 HA TRP A 1 4.786 -5.339 2.049 1.00 4.53 H new ATOM 0 HB2 TRP A 1 2.299 -5.043 1.603 1.00 41.42 H new ATOM 0 HB3 TRP A 1 2.735 -5.486 3.241 1.00 41.42 H new ATOM 0 HD1 TRP A 1 1.975 -2.175 1.296 1.00 11.32 H new ATOM 0 HE1 TRP A 1 0.700 -0.566 2.870 1.00 34.21 H new ATOM 0 HE3 TRP A 1 2.007 -5.066 5.509 1.00 2.05 H new ATOM 0 HZ2 TRP A 1 -0.159 -0.575 5.548 1.00 1.11 H new ATOM 0 HZ3 TRP A 1 0.935 -4.195 7.548 1.00 24.32 H new ATOM 0 HH2 TRP A 1 -0.137 -1.980 7.564 1.00 10.52 H new ATOM 25 N GLY A 2 4.483 -4.279 -0.220 1.00 13.22 N ATOM 26 CA GLY A 2 4.593 -3.605 -1.500 1.00 50.32 C ATOM 27 C GLY A 2 4.561 -4.570 -2.668 1.00 63.23 C ATOM 28 O GLY A 2 4.087 -5.699 -2.537 1.00 0.53 O ATOM 0 H GLY A 2 4.499 -5.298 -0.269 1.00 13.22 H new ATOM 0 HA2 GLY A 2 3.777 -2.889 -1.602 1.00 50.32 H new ATOM 0 HA3 GLY A 2 5.522 -3.036 -1.529 1.00 50.32 H new ATOM 32 N TRP A 3 5.065 -4.127 -3.814 1.00 5.50 N ATOM 33 CA TRP A 3 5.091 -4.960 -5.011 1.00 2.50 C ATOM 34 C TRP A 3 6.103 -6.091 -4.865 1.00 73.01 C ATOM 35 O TRP A 3 5.934 -7.166 -5.441 1.00 64.03 O ATOM 36 CB TRP A 3 5.428 -4.113 -6.239 1.00 42.24 C ATOM 37 CG TRP A 3 4.355 -3.128 -6.595 1.00 25.24 C ATOM 38 CD1 TRP A 3 3.912 -2.087 -5.829 1.00 62.54 C ATOM 39 CD2 TRP A 3 3.590 -3.094 -7.804 1.00 42.12 C ATOM 40 NE1 TRP A 3 2.917 -1.408 -6.491 1.00 24.24 N ATOM 41 CE2 TRP A 3 2.702 -2.005 -7.704 1.00 71.24 C ATOM 42 CE3 TRP A 3 3.570 -3.875 -8.963 1.00 23.35 C ATOM 43 CZ2 TRP A 3 1.805 -1.682 -8.719 1.00 15.34 C ATOM 44 CZ3 TRP A 3 2.679 -3.553 -9.968 1.00 72.21 C ATOM 45 CH2 TRP A 3 1.807 -2.464 -9.841 1.00 55.15 C ATOM 0 H TRP A 3 5.461 -3.196 -3.940 1.00 5.50 H new ATOM 0 HA TRP A 3 4.101 -5.398 -5.141 1.00 2.50 H new ATOM 0 HB2 TRP A 3 6.358 -3.575 -6.056 1.00 42.24 H new ATOM 0 HB3 TRP A 3 5.602 -4.772 -7.089 1.00 42.24 H new ATOM 0 HD1 TRP A 3 4.288 -1.835 -4.848 1.00 62.54 H new ATOM 0 HE1 TRP A 3 2.419 -0.591 -6.136 1.00 24.24 H new ATOM 0 HE3 TRP A 3 4.240 -4.716 -9.071 1.00 23.35 H new ATOM 0 HZ2 TRP A 3 1.131 -0.843 -8.624 1.00 15.34 H new ATOM 0 HZ3 TRP A 3 2.654 -4.151 -10.867 1.00 72.21 H new ATOM 0 HH2 TRP A 3 1.123 -2.237 -10.645 1.00 55.15 H new ATOM 56 N LYS A 4 7.154 -5.843 -4.091 1.00 72.12 N ATOM 57 CA LYS A 4 8.193 -6.842 -3.868 1.00 13.52 C ATOM 58 C LYS A 4 7.611 -8.098 -3.227 1.00 3.54 C ATOM 59 O LYS A 4 8.043 -9.212 -3.521 1.00 2.54 O ATOM 60 CB LYS A 4 9.298 -6.267 -2.979 1.00 22.20 C ATOM 61 CG LYS A 4 9.917 -4.992 -3.525 1.00 62.44 C ATOM 62 CD LYS A 4 11.013 -5.293 -4.534 1.00 43.40 C ATOM 63 CE LYS A 4 11.328 -4.078 -5.394 1.00 14.13 C ATOM 64 NZ LYS A 4 11.852 -2.945 -4.582 1.00 52.42 N ATOM 0 H LYS A 4 7.309 -4.958 -3.607 1.00 72.12 H new ATOM 0 HA LYS A 4 8.617 -7.113 -4.835 1.00 13.52 H new ATOM 0 HB2 LYS A 4 8.889 -6.067 -1.989 1.00 22.20 H new ATOM 0 HB3 LYS A 4 10.080 -7.016 -2.855 1.00 22.20 H new ATOM 0 HG2 LYS A 4 9.145 -4.384 -3.996 1.00 62.44 H new ATOM 0 HG3 LYS A 4 10.328 -4.405 -2.704 1.00 62.44 H new ATOM 0 HD2 LYS A 4 11.914 -5.613 -4.010 1.00 43.40 H new ATOM 0 HD3 LYS A 4 10.704 -6.121 -5.172 1.00 43.40 H new ATOM 0 HE2 LYS A 4 12.061 -4.351 -6.153 1.00 14.13 H new ATOM 0 HE3 LYS A 4 10.427 -3.762 -5.920 1.00 14.13 H new ATOM 0 HZ1 LYS A 4 12.150 -2.174 -5.213 1.00 52.42 H new ATOM 0 HZ2 LYS A 4 11.106 -2.601 -3.944 1.00 52.42 H new ATOM 0 HZ3 LYS A 4 12.667 -3.267 -4.021 1.00 52.42 H new ATOM 78 N GLU A 5 6.629 -7.909 -2.351 1.00 30.11 N ATOM 79 CA GLU A 5 5.989 -9.028 -1.670 1.00 31.24 C ATOM 80 C GLU A 5 5.097 -9.811 -2.629 1.00 14.33 C ATOM 81 O GLU A 5 4.882 -11.010 -2.455 1.00 74.55 O ATOM 82 CB GLU A 5 5.164 -8.527 -0.482 1.00 50.14 C ATOM 83 CG GLU A 5 5.031 -9.543 0.639 1.00 22.51 C ATOM 84 CD GLU A 5 4.209 -9.025 1.802 1.00 14.45 C ATOM 85 OE1 GLU A 5 3.160 -8.393 1.552 1.00 24.21 O ATOM 86 OE2 GLU A 5 4.612 -9.249 2.962 1.00 24.44 O ATOM 0 H GLU A 5 6.260 -6.993 -2.097 1.00 30.11 H new ATOM 0 HA GLU A 5 6.772 -9.693 -1.305 1.00 31.24 H new ATOM 0 HB2 GLU A 5 5.624 -7.621 -0.087 1.00 50.14 H new ATOM 0 HB3 GLU A 5 4.169 -8.252 -0.832 1.00 50.14 H new ATOM 0 HG2 GLU A 5 4.570 -10.450 0.249 1.00 22.51 H new ATOM 0 HG3 GLU A 5 6.024 -9.818 0.995 1.00 22.51 H new ATOM 93 N VAL A 6 4.579 -9.122 -3.641 1.00 72.10 N ATOM 94 CA VAL A 6 3.710 -9.751 -4.629 1.00 21.34 C ATOM 95 C VAL A 6 4.514 -10.601 -5.606 1.00 23.21 C ATOM 96 O VAL A 6 4.033 -11.621 -6.100 1.00 25.21 O ATOM 97 CB VAL A 6 2.906 -8.702 -5.419 1.00 45.41 C ATOM 98 CG1 VAL A 6 1.942 -9.380 -6.380 1.00 42.12 C ATOM 99 CG2 VAL A 6 2.162 -7.775 -4.469 1.00 62.24 C ATOM 0 H VAL A 6 4.746 -8.128 -3.798 1.00 72.10 H new ATOM 0 HA VAL A 6 3.018 -10.390 -4.080 1.00 21.34 H new ATOM 0 HB VAL A 6 3.602 -8.102 -6.005 1.00 45.41 H new ATOM 0 HG11 VAL A 6 1.383 -8.623 -6.929 1.00 42.12 H new ATOM 0 HG12 VAL A 6 2.502 -9.998 -7.082 1.00 42.12 H new ATOM 0 HG13 VAL A 6 1.249 -10.007 -5.819 1.00 42.12 H new ATOM 0 HG21 VAL A 6 1.599 -7.040 -5.044 1.00 62.24 H new ATOM 0 HG22 VAL A 6 1.476 -8.358 -3.855 1.00 62.24 H new ATOM 0 HG23 VAL A 6 2.878 -7.262 -3.826 1.00 62.24 H new ATOM 109 N VAL A 7 5.743 -10.174 -5.881 1.00 31.53 N ATOM 110 CA VAL A 7 6.616 -10.897 -6.798 1.00 72.10 C ATOM 111 C VAL A 7 6.997 -12.261 -6.234 1.00 60.32 C ATOM 112 O VAL A 7 7.247 -13.205 -6.983 1.00 74.14 O ATOM 113 CB VAL A 7 7.900 -10.100 -7.096 1.00 73.12 C ATOM 114 CG1 VAL A 7 8.808 -10.882 -8.033 1.00 1.30 C ATOM 115 CG2 VAL A 7 7.557 -8.740 -7.684 1.00 42.43 C ATOM 0 H VAL A 7 6.156 -9.331 -5.482 1.00 31.53 H new ATOM 0 HA VAL A 7 6.058 -11.033 -7.725 1.00 72.10 H new ATOM 0 HB VAL A 7 8.435 -9.941 -6.160 1.00 73.12 H new ATOM 0 HG11 VAL A 7 9.710 -10.303 -8.232 1.00 1.30 H new ATOM 0 HG12 VAL A 7 9.080 -11.830 -7.569 1.00 1.30 H new ATOM 0 HG13 VAL A 7 8.285 -11.074 -8.970 1.00 1.30 H new ATOM 0 HG21 VAL A 7 8.476 -8.190 -7.889 1.00 42.43 H new ATOM 0 HG22 VAL A 7 7.000 -8.874 -8.611 1.00 42.43 H new ATOM 0 HG23 VAL A 7 6.949 -8.179 -6.974 1.00 42.43 H new ATOM 125 N GLN A 8 7.039 -12.357 -4.909 1.00 43.02 N ATOM 126 CA GLN A 8 7.390 -13.607 -4.245 1.00 4.41 C ATOM 127 C GLN A 8 6.483 -14.742 -4.706 1.00 71.13 C ATOM 128 O GLN A 8 6.881 -15.906 -4.707 1.00 72.12 O ATOM 129 CB GLN A 8 7.294 -13.446 -2.727 1.00 25.03 C ATOM 130 CG GLN A 8 7.910 -14.600 -1.953 1.00 22.53 C ATOM 131 CD GLN A 8 7.477 -14.627 -0.500 1.00 53.53 C ATOM 132 OE1 GLN A 8 8.241 -14.262 0.394 1.00 34.52 O ATOM 133 NE2 GLN A 8 6.245 -15.058 -0.258 1.00 35.23 N ATOM 0 H GLN A 8 6.835 -11.585 -4.275 1.00 43.02 H new ATOM 0 HA GLN A 8 8.417 -13.856 -4.513 1.00 4.41 H new ATOM 0 HB2 GLN A 8 7.789 -12.519 -2.436 1.00 25.03 H new ATOM 0 HB3 GLN A 8 6.245 -13.349 -2.446 1.00 25.03 H new ATOM 0 HG2 GLN A 8 7.632 -15.541 -2.428 1.00 22.53 H new ATOM 0 HG3 GLN A 8 8.996 -14.527 -2.003 1.00 22.53 H new ATOM 0 HE21 GLN A 8 5.646 -15.351 -1.030 1.00 35.23 H new ATOM 0 HE22 GLN A 8 5.897 -15.096 0.700 1.00 35.23 H new ATOM 142 N ASN A 9 5.261 -14.395 -5.098 1.00 1.22 N ATOM 143 CA ASN A 9 4.296 -15.386 -5.561 1.00 3.42 C ATOM 144 C ASN A 9 4.576 -15.782 -7.007 1.00 74.32 C ATOM 145 O ASN A 9 4.239 -16.885 -7.436 1.00 31.34 O ATOM 146 CB ASN A 9 2.873 -14.839 -5.436 1.00 33.01 C ATOM 147 CG ASN A 9 2.576 -14.311 -4.045 1.00 71.45 C ATOM 148 OD1 ASN A 9 3.123 -13.291 -3.627 1.00 31.13 O ATOM 149 ND2 ASN A 9 1.706 -15.007 -3.322 1.00 53.34 N ATOM 0 H ASN A 9 4.916 -13.435 -5.104 1.00 1.22 H new ATOM 0 HA ASN A 9 4.393 -16.273 -4.935 1.00 3.42 H new ATOM 0 HB2 ASN A 9 2.729 -14.040 -6.163 1.00 33.01 H new ATOM 0 HB3 ASN A 9 2.161 -15.627 -5.682 1.00 33.01 H new ATOM 0 HD21 ASN A 9 1.467 -14.701 -2.379 1.00 53.34 H new ATOM 0 HD22 ASN A 9 1.277 -15.847 -3.710 1.00 53.34 H new ATOM 156 N GLY A 10 5.195 -14.874 -7.755 1.00 73.15 N ATOM 157 CA GLY A 10 5.510 -15.148 -9.145 1.00 54.34 C ATOM 158 C GLY A 10 6.874 -15.786 -9.316 1.00 74.41 C ATOM 159 O GLY A 10 7.137 -16.442 -10.324 1.00 52.40 O ATOM 0 H GLY A 10 5.484 -13.954 -7.423 1.00 73.15 H new ATOM 0 HA2 GLY A 10 4.749 -15.807 -9.564 1.00 54.34 H new ATOM 0 HA3 GLY A 10 5.474 -14.218 -9.713 1.00 54.34 H new ATOM 163 N GLN A 11 7.743 -15.594 -8.329 1.00 41.14 N ATOM 164 CA GLN A 11 9.088 -16.155 -8.377 1.00 2.31 C ATOM 165 C GLN A 11 9.102 -17.583 -7.842 1.00 52.12 C ATOM 166 O GLN A 11 9.852 -18.431 -8.325 1.00 24.50 O ATOM 167 CB GLN A 11 10.054 -15.286 -7.570 1.00 25.03 C ATOM 168 CG GLN A 11 10.292 -13.913 -8.178 1.00 70.42 C ATOM 169 CD GLN A 11 11.411 -13.914 -9.201 1.00 3.04 C ATOM 170 OE1 GLN A 11 11.447 -14.755 -10.099 1.00 32.41 O ATOM 171 NE2 GLN A 11 12.334 -12.968 -9.069 1.00 52.13 N ATOM 0 H GLN A 11 7.540 -15.055 -7.487 1.00 41.14 H new ATOM 0 HA GLN A 11 9.410 -16.174 -9.418 1.00 2.31 H new ATOM 0 HB2 GLN A 11 9.662 -15.164 -6.560 1.00 25.03 H new ATOM 0 HB3 GLN A 11 11.008 -15.805 -7.481 1.00 25.03 H new ATOM 0 HG2 GLN A 11 9.373 -13.565 -8.650 1.00 70.42 H new ATOM 0 HG3 GLN A 11 10.531 -13.205 -7.385 1.00 70.42 H new ATOM 0 HE21 GLN A 11 12.265 -12.291 -8.309 1.00 52.13 H new ATOM 0 HE22 GLN A 11 13.112 -12.919 -9.727 1.00 52.13 H new ATOM 180 N THR A 12 8.266 -17.843 -6.841 1.00 45.20 N ATOM 181 CA THR A 12 8.183 -19.168 -6.239 1.00 44.43 C ATOM 182 C THR A 12 7.884 -20.231 -7.290 1.00 13.21 C ATOM 183 O THR A 12 8.229 -21.400 -7.119 1.00 22.32 O ATOM 184 CB THR A 12 7.099 -19.221 -5.147 1.00 33.51 C ATOM 185 OG1 THR A 12 6.934 -20.567 -4.686 1.00 74.24 O ATOM 186 CG2 THR A 12 5.773 -18.694 -5.674 1.00 72.34 C ATOM 0 H THR A 12 7.637 -17.153 -6.430 1.00 45.20 H new ATOM 0 HA THR A 12 9.153 -19.372 -5.787 1.00 44.43 H new ATOM 0 HB THR A 12 7.419 -18.590 -4.318 1.00 33.51 H new ATOM 0 HG1 THR A 12 6.244 -20.592 -3.991 1.00 74.24 H new ATOM 0 HG21 THR A 12 5.023 -18.741 -4.885 1.00 72.34 H new ATOM 0 HG22 THR A 12 5.895 -17.660 -5.997 1.00 72.34 H new ATOM 0 HG23 THR A 12 5.450 -19.302 -6.519 1.00 72.34 H new ATOM 194 N ILE A 13 7.240 -19.817 -8.376 1.00 62.54 N ATOM 195 CA ILE A 13 6.896 -20.735 -9.455 1.00 61.23 C ATOM 196 C ILE A 13 7.999 -20.785 -10.507 1.00 51.13 C ATOM 197 O ILE A 13 8.152 -21.781 -11.215 1.00 41.41 O ATOM 198 CB ILE A 13 5.573 -20.335 -10.134 1.00 35.53 C ATOM 199 CG1 ILE A 13 4.449 -20.251 -9.099 1.00 33.42 C ATOM 200 CG2 ILE A 13 5.218 -21.330 -11.229 1.00 53.44 C ATOM 201 CD1 ILE A 13 4.209 -21.549 -8.360 1.00 24.41 C ATOM 0 H ILE A 13 6.946 -18.853 -8.532 1.00 62.54 H new ATOM 0 HA ILE A 13 6.781 -21.721 -9.005 1.00 61.23 H new ATOM 0 HB ILE A 13 5.697 -19.352 -10.589 1.00 35.53 H new ATOM 0 HG12 ILE A 13 4.689 -19.470 -8.377 1.00 33.42 H new ATOM 0 HG13 ILE A 13 3.528 -19.951 -9.599 1.00 33.42 H new ATOM 0 HG21 ILE A 13 4.280 -21.034 -11.700 1.00 53.44 H new ATOM 0 HG22 ILE A 13 6.011 -21.346 -11.977 1.00 53.44 H new ATOM 0 HG23 ILE A 13 5.108 -22.324 -10.796 1.00 53.44 H new ATOM 0 HD11 ILE A 13 3.399 -21.415 -7.643 1.00 24.41 H new ATOM 0 HD12 ILE A 13 3.938 -22.328 -9.072 1.00 24.41 H new ATOM 0 HD13 ILE A 13 5.117 -21.840 -7.832 1.00 24.41 H new ATOM 213 N PHE A 14 8.766 -19.704 -10.604 1.00 24.35 N ATOM 214 CA PHE A 14 9.857 -19.624 -11.569 1.00 33.43 C ATOM 215 C PHE A 14 11.095 -20.351 -11.052 1.00 0.34 C ATOM 216 O PHE A 14 11.605 -21.267 -11.696 1.00 75.41 O ATOM 217 CB PHE A 14 10.196 -18.163 -11.867 1.00 2.53 C ATOM 218 CG PHE A 14 10.895 -17.965 -13.182 1.00 30.45 C ATOM 219 CD1 PHE A 14 12.172 -18.463 -13.384 1.00 3.43 C ATOM 220 CD2 PHE A 14 10.275 -17.282 -14.215 1.00 75.42 C ATOM 221 CE1 PHE A 14 12.818 -18.283 -14.593 1.00 21.34 C ATOM 222 CE2 PHE A 14 10.915 -17.100 -15.426 1.00 61.53 C ATOM 223 CZ PHE A 14 12.189 -17.600 -15.615 1.00 32.32 C ATOM 0 H PHE A 14 8.652 -18.871 -10.026 1.00 24.35 H new ATOM 0 HA PHE A 14 9.531 -20.109 -12.489 1.00 33.43 H new ATOM 0 HB2 PHE A 14 9.277 -17.577 -11.861 1.00 2.53 H new ATOM 0 HB3 PHE A 14 10.827 -17.774 -11.067 1.00 2.53 H new ATOM 0 HD1 PHE A 14 12.668 -18.998 -12.588 1.00 3.43 H new ATOM 0 HD2 PHE A 14 9.280 -16.887 -14.072 1.00 75.42 H new ATOM 0 HE1 PHE A 14 13.813 -18.676 -14.738 1.00 21.34 H new ATOM 0 HE2 PHE A 14 10.420 -16.567 -16.224 1.00 61.53 H new ATOM 0 HZ PHE A 14 12.692 -17.457 -16.560 1.00 32.32 H new ATOM 233 N SER A 15 11.574 -19.933 -9.884 1.00 62.41 N ATOM 234 CA SER A 15 12.755 -20.540 -9.282 1.00 23.34 C ATOM 235 C SER A 15 12.528 -22.026 -9.019 1.00 4.14 C ATOM 236 O SER A 15 13.474 -22.813 -8.987 1.00 34.23 O ATOM 237 CB SER A 15 13.111 -19.828 -7.975 1.00 54.22 C ATOM 238 OG SER A 15 14.396 -20.212 -7.518 1.00 34.21 O ATOM 0 H SER A 15 11.162 -19.177 -9.337 1.00 62.41 H new ATOM 0 HA SER A 15 13.584 -20.435 -9.982 1.00 23.34 H new ATOM 0 HB2 SER A 15 13.083 -18.749 -8.126 1.00 54.22 H new ATOM 0 HB3 SER A 15 12.366 -20.063 -7.215 1.00 54.22 H new ATOM 0 HG SER A 15 14.600 -19.742 -6.683 1.00 34.21 H new ATOM 244 N ALA A 16 11.267 -22.401 -8.831 1.00 24.24 N ATOM 245 CA ALA A 16 10.915 -23.792 -8.572 1.00 53.32 C ATOM 246 C ALA A 16 11.244 -24.674 -9.772 1.00 1.42 C ATOM 247 O ALA A 16 11.552 -25.855 -9.620 1.00 42.12 O ATOM 248 CB ALA A 16 9.439 -23.905 -8.221 1.00 33.23 C ATOM 0 H ALA A 16 10.473 -21.762 -8.853 1.00 24.24 H new ATOM 0 HA ALA A 16 11.507 -24.140 -7.725 1.00 53.32 H new ATOM 0 HB1 ALA A 16 9.189 -24.949 -8.030 1.00 33.23 H new ATOM 0 HB2 ALA A 16 9.231 -23.313 -7.330 1.00 33.23 H new ATOM 0 HB3 ALA A 16 8.838 -23.534 -9.051 1.00 33.23 H new ATOM 254 N GLY A 17 11.176 -24.091 -10.965 1.00 62.33 N ATOM 255 CA GLY A 17 11.469 -24.840 -12.174 1.00 1.34 C ATOM 256 C GLY A 17 12.874 -25.408 -12.177 1.00 45.34 C ATOM 257 O GLY A 17 13.145 -26.407 -12.844 1.00 15.45 O ATOM 0 H GLY A 17 10.924 -23.114 -11.116 1.00 62.33 H new ATOM 0 HA2 GLY A 17 10.751 -25.654 -12.277 1.00 1.34 H new ATOM 0 HA3 GLY A 17 11.341 -24.191 -13.040 1.00 1.34 H new ATOM 261 N GLN A 18 13.771 -24.769 -11.433 1.00 43.21 N ATOM 262 CA GLN A 18 15.157 -25.216 -11.356 1.00 0.12 C ATOM 263 C GLN A 18 15.305 -26.361 -10.360 1.00 33.24 C ATOM 264 O GLN A 18 16.054 -27.310 -10.594 1.00 1.41 O ATOM 265 CB GLN A 18 16.068 -24.055 -10.955 1.00 1.54 C ATOM 266 CG GLN A 18 15.978 -22.859 -11.890 1.00 31.43 C ATOM 267 CD GLN A 18 16.346 -23.207 -13.318 1.00 64.15 C ATOM 268 OE1 GLN A 18 17.224 -24.036 -13.561 1.00 44.33 O ATOM 269 NE2 GLN A 18 15.676 -22.574 -14.274 1.00 34.31 N ATOM 0 H GLN A 18 13.563 -23.941 -10.875 1.00 43.21 H new ATOM 0 HA GLN A 18 15.451 -25.576 -12.342 1.00 0.12 H new ATOM 0 HB2 GLN A 18 15.812 -23.736 -9.945 1.00 1.54 H new ATOM 0 HB3 GLN A 18 17.099 -24.407 -10.927 1.00 1.54 H new ATOM 0 HG2 GLN A 18 14.964 -22.460 -11.867 1.00 31.43 H new ATOM 0 HG3 GLN A 18 16.639 -22.071 -11.530 1.00 31.43 H new ATOM 0 HE21 GLN A 18 14.956 -21.894 -14.028 1.00 34.31 H new ATOM 0 HE22 GLN A 18 15.881 -22.767 -15.254 1.00 34.31 H new ATOM 278 N LYS A 19 14.586 -26.267 -9.246 1.00 55.23 N ATOM 279 CA LYS A 19 14.635 -27.295 -8.214 1.00 11.25 C ATOM 280 C LYS A 19 14.004 -28.593 -8.707 1.00 54.31 C ATOM 281 O LYS A 19 14.642 -29.646 -8.702 1.00 74.45 O ATOM 282 CB LYS A 19 13.916 -26.813 -6.951 1.00 61.41 C ATOM 283 CG LYS A 19 14.698 -25.776 -6.164 1.00 52.45 C ATOM 284 CD LYS A 19 14.471 -24.375 -6.709 1.00 75.43 C ATOM 285 CE LYS A 19 15.060 -23.317 -5.790 1.00 22.03 C ATOM 286 NZ LYS A 19 14.285 -23.187 -4.525 1.00 21.12 N ATOM 0 H LYS A 19 13.962 -25.488 -9.035 1.00 55.23 H new ATOM 0 HA LYS A 19 15.682 -27.488 -7.978 1.00 11.25 H new ATOM 0 HB2 LYS A 19 12.950 -26.392 -7.231 1.00 61.41 H new ATOM 0 HB3 LYS A 19 13.716 -27.670 -6.308 1.00 61.41 H new ATOM 0 HG2 LYS A 19 14.400 -25.812 -5.116 1.00 52.45 H new ATOM 0 HG3 LYS A 19 15.761 -26.014 -6.202 1.00 52.45 H new ATOM 0 HD2 LYS A 19 14.921 -24.291 -7.698 1.00 75.43 H new ATOM 0 HD3 LYS A 19 13.402 -24.199 -6.830 1.00 75.43 H new ATOM 0 HE2 LYS A 19 16.094 -23.573 -5.558 1.00 22.03 H new ATOM 0 HE3 LYS A 19 15.077 -22.357 -6.306 1.00 22.03 H new ATOM 0 HZ1 LYS A 19 14.575 -22.321 -4.028 1.00 21.12 H new ATOM 0 HZ2 LYS A 19 13.269 -23.138 -4.744 1.00 21.12 H new ATOM 0 HZ3 LYS A 19 14.469 -24.012 -3.919 1.00 21.12 H new ATOM 300 N LEU A 20 12.748 -28.510 -9.133 1.00 42.24 N ATOM 301 CA LEU A 20 12.031 -29.678 -9.632 1.00 52.02 C ATOM 302 C LEU A 20 12.767 -30.307 -10.810 1.00 62.24 C ATOM 303 O LEU A 20 12.639 -31.503 -11.068 1.00 64.33 O ATOM 304 CB LEU A 20 10.612 -29.289 -10.052 1.00 21.03 C ATOM 305 CG LEU A 20 9.678 -28.841 -8.927 1.00 24.44 C ATOM 306 CD1 LEU A 20 8.323 -28.439 -9.486 1.00 73.12 C ATOM 307 CD2 LEU A 20 9.523 -29.946 -7.891 1.00 5.30 C ATOM 0 H LEU A 20 12.206 -27.646 -9.143 1.00 42.24 H new ATOM 0 HA LEU A 20 11.977 -30.411 -8.827 1.00 52.02 H new ATOM 0 HB2 LEU A 20 10.679 -28.484 -10.784 1.00 21.03 H new ATOM 0 HB3 LEU A 20 10.157 -30.141 -10.557 1.00 21.03 H new ATOM 0 HG LEU A 20 10.119 -27.972 -8.439 1.00 24.44 H new ATOM 0 HD11 LEU A 20 7.672 -28.123 -8.671 1.00 73.12 H new ATOM 0 HD12 LEU A 20 8.449 -27.616 -10.189 1.00 73.12 H new ATOM 0 HD13 LEU A 20 7.875 -29.289 -10.000 1.00 73.12 H new ATOM 0 HD21 LEU A 20 8.855 -29.610 -7.098 1.00 5.30 H new ATOM 0 HD22 LEU A 20 9.105 -30.834 -8.366 1.00 5.30 H new ATOM 0 HD23 LEU A 20 10.498 -30.186 -7.467 1.00 5.30 H new ATOM 319 N GLY A 21 13.541 -29.493 -11.522 1.00 12.53 N ATOM 320 CA GLY A 21 14.288 -29.988 -12.663 1.00 3.22 C ATOM 321 C GLY A 21 15.216 -31.129 -12.297 1.00 71.50 C ATOM 322 O GLY A 21 15.651 -31.886 -13.164 1.00 24.02 O ATOM 0 H GLY A 21 13.664 -28.499 -11.328 1.00 12.53 H new ATOM 0 HA2 GLY A 21 13.592 -30.322 -13.432 1.00 3.22 H new ATOM 0 HA3 GLY A 21 14.871 -29.173 -13.093 1.00 3.22 H new ATOM 326 N ASN A 22 15.520 -31.253 -11.009 1.00 62.21 N ATOM 327 CA ASN A 22 16.405 -32.310 -10.531 1.00 15.32 C ATOM 328 C ASN A 22 15.827 -33.686 -10.846 1.00 63.40 C ATOM 329 O ASN A 22 16.545 -34.587 -11.280 1.00 41.22 O ATOM 330 CB ASN A 22 16.630 -32.172 -9.024 1.00 13.42 C ATOM 331 CG ASN A 22 17.795 -33.010 -8.534 1.00 53.21 C ATOM 332 OD1 ASN A 22 17.654 -33.805 -7.605 1.00 23.11 O ATOM 333 ND2 ASN A 22 18.953 -32.835 -9.159 1.00 3.41 N ATOM 0 H ASN A 22 15.167 -30.635 -10.278 1.00 62.21 H new ATOM 0 HA ASN A 22 17.361 -32.210 -11.045 1.00 15.32 H new ATOM 0 HB2 ASN A 22 16.812 -31.125 -8.781 1.00 13.42 H new ATOM 0 HB3 ASN A 22 15.724 -32.470 -8.495 1.00 13.42 H new ATOM 0 HD21 ASN A 22 19.773 -33.371 -8.874 1.00 3.41 H new ATOM 0 HD22 ASN A 22 19.023 -32.164 -9.924 1.00 3.41 H new ATOM 340 N MET A 23 14.526 -33.841 -10.625 1.00 21.22 N ATOM 341 CA MET A 23 13.852 -35.108 -10.887 1.00 40.51 C ATOM 342 C MET A 23 13.524 -35.252 -12.370 1.00 13.33 C ATOM 343 O MET A 23 13.444 -36.363 -12.893 1.00 21.31 O ATOM 344 CB MET A 23 12.571 -35.210 -10.057 1.00 1.42 C ATOM 345 CG MET A 23 11.404 -34.431 -10.642 1.00 30.10 C ATOM 346 SD MET A 23 10.310 -33.762 -9.374 1.00 71.33 S ATOM 347 CE MET A 23 8.939 -34.911 -9.470 1.00 22.23 C ATOM 0 H MET A 23 13.917 -33.106 -10.265 1.00 21.22 H new ATOM 0 HA MET A 23 14.526 -35.916 -10.602 1.00 40.51 H new ATOM 0 HB2 MET A 23 12.288 -36.259 -9.967 1.00 1.42 H new ATOM 0 HB3 MET A 23 12.771 -34.847 -9.049 1.00 1.42 H new ATOM 0 HG2 MET A 23 11.788 -33.614 -11.253 1.00 30.10 H new ATOM 0 HG3 MET A 23 10.832 -35.082 -11.303 1.00 30.10 H new ATOM 0 HE1 MET A 23 8.177 -34.630 -8.743 1.00 22.23 H new ATOM 0 HE2 MET A 23 8.512 -34.885 -10.472 1.00 22.23 H new ATOM 0 HE3 MET A 23 9.293 -35.919 -9.253 1.00 22.23 H new ATOM 357 N VAL A 24 13.334 -34.121 -13.042 1.00 15.20 N ATOM 358 CA VAL A 24 13.014 -34.122 -14.465 1.00 5.43 C ATOM 359 C VAL A 24 14.228 -34.514 -15.300 1.00 20.22 C ATOM 360 O VAL A 24 14.180 -35.470 -16.073 1.00 30.25 O ATOM 361 CB VAL A 24 12.511 -32.741 -14.928 1.00 21.53 C ATOM 362 CG1 VAL A 24 11.903 -32.834 -16.319 1.00 11.12 C ATOM 363 CG2 VAL A 24 11.506 -32.181 -13.933 1.00 54.55 C ATOM 0 H VAL A 24 13.396 -33.193 -12.624 1.00 15.20 H new ATOM 0 HA VAL A 24 12.222 -34.857 -14.611 1.00 5.43 H new ATOM 0 HB VAL A 24 13.360 -32.059 -14.974 1.00 21.53 H new ATOM 0 HG11 VAL A 24 11.553 -31.850 -16.630 1.00 11.12 H new ATOM 0 HG12 VAL A 24 12.656 -33.190 -17.022 1.00 11.12 H new ATOM 0 HG13 VAL A 24 11.064 -33.529 -16.303 1.00 11.12 H new ATOM 0 HG21 VAL A 24 11.161 -31.205 -14.275 1.00 54.55 H new ATOM 0 HG22 VAL A 24 10.656 -32.859 -13.853 1.00 54.55 H new ATOM 0 HG23 VAL A 24 11.980 -32.077 -12.957 1.00 54.55 H new ATOM 373 N GLY A 25 15.317 -33.769 -15.138 1.00 42.22 N ATOM 374 CA GLY A 25 16.529 -34.055 -15.884 1.00 1.35 C ATOM 375 C GLY A 25 17.348 -35.165 -15.255 1.00 72.13 C ATOM 376 O GLY A 25 18.356 -35.597 -15.815 1.00 74.02 O ATOM 0 H GLY A 25 15.382 -32.973 -14.504 1.00 42.22 H new ATOM 0 HA2 GLY A 25 16.267 -34.335 -16.904 1.00 1.35 H new ATOM 0 HA3 GLY A 25 17.135 -33.151 -15.947 1.00 1.35 H new ATOM 380 N LYS A 26 16.916 -35.628 -14.087 1.00 72.23 N ATOM 381 CA LYS A 26 17.615 -36.695 -13.381 1.00 0.13 C ATOM 382 C LYS A 26 16.642 -37.527 -12.552 1.00 21.41 C ATOM 383 O LYS A 26 16.314 -37.171 -11.420 1.00 54.41 O ATOM 384 CB LYS A 26 18.701 -36.109 -12.475 1.00 53.34 C ATOM 385 CG LYS A 26 19.977 -36.932 -12.445 1.00 10.31 C ATOM 386 CD LYS A 26 20.771 -36.778 -13.732 1.00 14.05 C ATOM 387 CE LYS A 26 21.630 -35.523 -13.710 1.00 30.22 C ATOM 388 NZ LYS A 26 22.807 -35.641 -14.614 1.00 62.51 N ATOM 0 H LYS A 26 16.085 -35.281 -13.609 1.00 72.23 H new ATOM 0 HA LYS A 26 18.080 -37.344 -14.123 1.00 0.13 H new ATOM 0 HB2 LYS A 26 18.937 -35.100 -12.811 1.00 53.34 H new ATOM 0 HB3 LYS A 26 18.310 -36.024 -11.461 1.00 53.34 H new ATOM 0 HG2 LYS A 26 20.591 -36.623 -11.599 1.00 10.31 H new ATOM 0 HG3 LYS A 26 19.730 -37.983 -12.292 1.00 10.31 H new ATOM 0 HD2 LYS A 26 21.406 -37.652 -13.876 1.00 14.05 H new ATOM 0 HD3 LYS A 26 20.087 -36.737 -14.580 1.00 14.05 H new ATOM 0 HE2 LYS A 26 21.027 -34.665 -14.008 1.00 30.22 H new ATOM 0 HE3 LYS A 26 21.971 -35.334 -12.692 1.00 30.22 H new ATOM 0 HZ1 LYS A 26 23.367 -34.766 -14.571 1.00 62.51 H new ATOM 0 HZ2 LYS A 26 23.396 -36.444 -14.314 1.00 62.51 H new ATOM 0 HZ3 LYS A 26 22.481 -35.796 -15.590 1.00 62.51 H new ATOM 402 N ILE A 27 16.186 -38.638 -13.122 1.00 3.22 N ATOM 403 CA ILE A 27 15.253 -39.521 -12.434 1.00 24.52 C ATOM 404 C ILE A 27 15.913 -40.188 -11.231 1.00 53.11 C ATOM 405 O ILE A 27 17.092 -40.541 -11.272 1.00 15.40 O ATOM 406 CB ILE A 27 14.711 -40.611 -13.377 1.00 34.41 C ATOM 407 CG1 ILE A 27 14.127 -39.978 -14.641 1.00 40.15 C ATOM 408 CG2 ILE A 27 13.661 -41.452 -12.666 1.00 74.10 C ATOM 409 CD1 ILE A 27 12.988 -39.022 -14.368 1.00 15.54 C ATOM 0 H ILE A 27 16.448 -38.947 -14.058 1.00 3.22 H new ATOM 0 HA ILE A 27 14.424 -38.901 -12.093 1.00 24.52 H new ATOM 0 HB ILE A 27 15.535 -41.263 -13.667 1.00 34.41 H new ATOM 0 HG12 ILE A 27 14.918 -39.446 -15.170 1.00 40.15 H new ATOM 0 HG13 ILE A 27 13.776 -40.768 -15.304 1.00 40.15 H new ATOM 0 HG21 ILE A 27 13.287 -42.218 -13.345 1.00 74.10 H new ATOM 0 HG22 ILE A 27 14.106 -41.928 -11.792 1.00 74.10 H new ATOM 0 HG23 ILE A 27 12.836 -40.813 -12.350 1.00 74.10 H new ATOM 0 HD11 ILE A 27 12.624 -38.612 -15.310 1.00 15.54 H new ATOM 0 HD12 ILE A 27 12.179 -39.554 -13.867 1.00 15.54 H new ATOM 0 HD13 ILE A 27 13.339 -38.211 -13.730 1.00 15.54 H new ATOM 421 N VAL A 28 15.143 -40.359 -10.161 1.00 23.23 N ATOM 422 CA VAL A 28 15.651 -40.986 -8.947 1.00 24.45 C ATOM 423 C VAL A 28 16.320 -42.321 -9.256 1.00 31.22 C ATOM 424 O VAL A 28 16.034 -42.968 -10.263 1.00 73.43 O ATOM 425 CB VAL A 28 14.526 -41.214 -7.919 1.00 64.04 C ATOM 426 CG1 VAL A 28 14.166 -39.910 -7.224 1.00 22.10 C ATOM 427 CG2 VAL A 28 13.306 -41.823 -8.593 1.00 20.42 C ATOM 0 H VAL A 28 14.165 -40.072 -10.110 1.00 23.23 H new ATOM 0 HA VAL A 28 16.387 -40.303 -8.523 1.00 24.45 H new ATOM 0 HB VAL A 28 14.883 -41.914 -7.163 1.00 64.04 H new ATOM 0 HG11 VAL A 28 13.370 -40.090 -6.502 1.00 22.10 H new ATOM 0 HG12 VAL A 28 15.043 -39.519 -6.708 1.00 22.10 H new ATOM 0 HG13 VAL A 28 13.827 -39.185 -7.964 1.00 22.10 H new ATOM 0 HG21 VAL A 28 12.521 -41.978 -7.853 1.00 20.42 H new ATOM 0 HG22 VAL A 28 12.945 -41.149 -9.370 1.00 20.42 H new ATOM 0 HG23 VAL A 28 13.577 -42.780 -9.040 1.00 20.42 H new ATOM 437 N PRO A 29 17.233 -42.745 -8.369 1.00 74.31 N ATOM 438 CA PRO A 29 17.961 -44.008 -8.525 1.00 74.11 C ATOM 439 C PRO A 29 17.061 -45.224 -8.329 1.00 4.24 C ATOM 440 O PRO A 29 17.303 -46.287 -8.902 1.00 52.34 O ATOM 441 CB PRO A 29 19.022 -43.944 -7.424 1.00 34.14 C ATOM 442 CG PRO A 29 18.444 -43.036 -6.393 1.00 71.14 C ATOM 443 CD PRO A 29 17.624 -42.025 -7.146 1.00 33.12 C ATOM 0 HA PRO A 29 18.374 -44.120 -9.528 1.00 74.11 H new ATOM 0 HB2 PRO A 29 19.225 -44.932 -7.012 1.00 34.14 H new ATOM 0 HB3 PRO A 29 19.967 -43.558 -7.807 1.00 34.14 H new ATOM 0 HG2 PRO A 29 17.827 -43.591 -5.686 1.00 71.14 H new ATOM 0 HG3 PRO A 29 19.230 -42.549 -5.816 1.00 71.14 H new ATOM 0 HD2 PRO A 29 16.754 -41.706 -6.572 1.00 33.12 H new ATOM 0 HD3 PRO A 29 18.201 -41.129 -7.374 1.00 33.12 H new ATOM 451 N LEU A 30 16.024 -45.061 -7.515 1.00 52.12 N ATOM 452 CA LEU A 30 15.087 -46.146 -7.243 1.00 41.23 C ATOM 453 C LEU A 30 14.557 -46.746 -8.542 1.00 3.13 C ATOM 454 O LEU A 30 14.618 -46.133 -9.608 1.00 13.03 O ATOM 455 CB LEU A 30 13.923 -45.639 -6.390 1.00 61.10 C ATOM 456 CG LEU A 30 14.119 -45.714 -4.875 1.00 40.54 C ATOM 457 CD1 LEU A 30 15.079 -44.631 -4.408 1.00 25.25 C ATOM 458 CD2 LEU A 30 12.783 -45.590 -4.158 1.00 53.30 C ATOM 0 H LEU A 30 15.811 -44.188 -7.032 1.00 52.12 H new ATOM 0 HA LEU A 30 15.619 -46.924 -6.695 1.00 41.23 H new ATOM 0 HB2 LEU A 30 13.726 -44.602 -6.660 1.00 61.10 H new ATOM 0 HB3 LEU A 30 13.032 -46.211 -6.650 1.00 61.10 H new ATOM 0 HG LEU A 30 14.551 -46.684 -4.631 1.00 40.54 H new ATOM 0 HD11 LEU A 30 15.207 -44.699 -3.328 1.00 25.25 H new ATOM 0 HD12 LEU A 30 16.044 -44.765 -4.897 1.00 25.25 H new ATOM 0 HD13 LEU A 30 14.675 -43.652 -4.664 1.00 25.25 H new ATOM 0 HD21 LEU A 30 12.942 -45.645 -3.081 1.00 53.30 H new ATOM 0 HD22 LEU A 30 12.323 -44.634 -4.408 1.00 53.30 H new ATOM 0 HD23 LEU A 30 12.126 -46.402 -4.470 1.00 53.30 H new ATOM 470 N PRO A 31 14.023 -47.973 -8.452 1.00 0.00 N ATOM 471 CA PRO A 31 13.469 -48.682 -9.609 1.00 43.25 C ATOM 472 C PRO A 31 12.176 -48.049 -10.113 1.00 24.03 C ATOM 473 O PRO A 31 11.813 -48.199 -11.279 1.00 61.14 O ATOM 474 CB PRO A 31 13.201 -50.089 -9.069 1.00 0.41 C ATOM 475 CG PRO A 31 13.017 -49.902 -7.602 1.00 70.14 C ATOM 476 CD PRO A 31 13.918 -48.763 -7.214 1.00 11.45 C ATOM 0 HA PRO A 31 14.147 -48.661 -10.462 1.00 43.25 H new ATOM 0 HB2 PRO A 31 12.314 -50.527 -9.527 1.00 0.41 H new ATOM 0 HB3 PRO A 31 14.033 -50.760 -9.281 1.00 0.41 H new ATOM 0 HG2 PRO A 31 11.977 -49.676 -7.365 1.00 70.14 H new ATOM 0 HG3 PRO A 31 13.278 -50.809 -7.057 1.00 70.14 H new ATOM 0 HD2 PRO A 31 13.496 -48.177 -6.398 1.00 11.45 H new ATOM 0 HD3 PRO A 31 14.893 -49.118 -6.880 1.00 11.45 H new ATOM 484 N PHE A 32 11.485 -47.341 -9.226 1.00 5.43 N ATOM 485 CA PHE A 32 10.232 -46.685 -9.580 1.00 61.02 C ATOM 486 C PHE A 32 10.416 -45.781 -10.796 1.00 31.31 C ATOM 487 O PHE A 32 9.487 -45.576 -11.576 1.00 43.43 O ATOM 488 CB PHE A 32 9.707 -45.868 -8.398 1.00 1.11 C ATOM 489 CG PHE A 32 8.216 -45.691 -8.407 1.00 14.32 C ATOM 490 CD1 PHE A 32 7.397 -46.560 -7.704 1.00 62.20 C ATOM 491 CD2 PHE A 32 7.632 -44.655 -9.119 1.00 0.05 C ATOM 492 CE1 PHE A 32 6.024 -46.400 -7.710 1.00 3.22 C ATOM 493 CE2 PHE A 32 6.260 -44.489 -9.128 1.00 31.44 C ATOM 494 CZ PHE A 32 5.455 -45.364 -8.423 1.00 40.55 C ATOM 0 H PHE A 32 11.772 -47.207 -8.256 1.00 5.43 H new ATOM 0 HA PHE A 32 9.505 -47.457 -9.830 1.00 61.02 H new ATOM 0 HB2 PHE A 32 10.001 -46.357 -7.469 1.00 1.11 H new ATOM 0 HB3 PHE A 32 10.181 -44.887 -8.406 1.00 1.11 H new ATOM 0 HD1 PHE A 32 7.837 -47.372 -7.144 1.00 62.20 H new ATOM 0 HD2 PHE A 32 8.256 -43.970 -9.673 1.00 0.05 H new ATOM 0 HE1 PHE A 32 5.397 -47.085 -7.158 1.00 3.22 H new ATOM 0 HE2 PHE A 32 5.817 -43.677 -9.685 1.00 31.44 H new ATOM 0 HZ PHE A 32 4.382 -45.237 -8.430 1.00 40.55 H new ATOM 504 N GLY A 33 11.622 -45.243 -10.949 1.00 62.42 N ATOM 505 CA GLY A 33 11.907 -44.367 -12.071 1.00 33.52 C ATOM 506 C GLY A 33 11.025 -43.135 -12.082 1.00 12.31 C ATOM 507 O GLY A 33 10.699 -42.606 -13.145 1.00 31.22 O ATOM 0 H GLY A 33 12.407 -45.398 -10.316 1.00 62.42 H new ATOM 0 HA2 GLY A 33 12.953 -44.061 -12.033 1.00 33.52 H new ATOM 0 HA3 GLY A 33 11.769 -44.917 -13.002 1.00 33.52 H new TER 511 GLY A 33