USER MOD reduce.3.24.130724 H: found=0, std=0, add=258, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 205 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 SER N :NH3+ 139:sc= 0.021 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 GLN : amide:sc= -0.0871 X(o=-0.087,f=-0.087) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 GLN : amide:sc= -0.0448 X(o=-0.045,f=0) USER MOD Single : A 8 LYS NZ :NH3+ -106:sc= 0.691 (180deg=-0.227) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 176:sc= 0.127 (180deg=0.123) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 148:sc= -0.162 (180deg=-1.11) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 5.979 21.031 -11.971 1.00 20.23 N ATOM 2 CA SER A 1 4.871 20.308 -12.584 1.00 22.42 C ATOM 3 C SER A 1 4.844 18.856 -12.116 1.00 24.24 C ATOM 4 O SER A 1 5.890 18.234 -11.930 1.00 74.52 O ATOM 5 CB SER A 1 4.980 20.362 -14.109 1.00 70.21 C ATOM 6 OG SER A 1 4.409 21.554 -14.619 1.00 65.24 O ATOM 0 H1 SER A 1 6.422 21.651 -12.678 1.00 20.23 H new ATOM 0 H2 SER A 1 5.623 21.606 -11.181 1.00 20.23 H new ATOM 0 H3 SER A 1 6.683 20.352 -11.616 1.00 20.23 H new ATOM 0 HA SER A 1 3.942 20.788 -12.276 1.00 22.42 H new ATOM 0 HB2 SER A 1 6.028 20.302 -14.404 1.00 70.21 H new ATOM 0 HB3 SER A 1 4.476 19.499 -14.544 1.00 70.21 H new ATOM 0 HG SER A 1 4.493 21.565 -15.595 1.00 65.24 H new ATOM 11 N GLN A 2 3.641 18.324 -11.927 1.00 45.43 N ATOM 12 CA GLN A 2 3.477 16.946 -11.480 1.00 14.41 C ATOM 13 C GLN A 2 2.059 16.452 -11.745 1.00 33.32 C ATOM 14 O GLN A 2 1.091 17.013 -11.232 1.00 3.31 O ATOM 15 CB GLN A 2 3.801 16.829 -9.989 1.00 32.44 C ATOM 16 CG GLN A 2 4.224 15.432 -9.566 1.00 25.24 C ATOM 17 CD GLN A 2 5.584 15.043 -10.113 1.00 25.03 C ATOM 18 OE1 GLN A 2 6.617 15.511 -9.631 1.00 53.12 O ATOM 19 NE2 GLN A 2 5.592 14.184 -11.125 1.00 63.52 N ATOM 0 H GLN A 2 2.766 18.826 -12.076 1.00 45.43 H new ATOM 0 HA GLN A 2 4.170 16.323 -12.045 1.00 14.41 H new ATOM 0 HB2 GLN A 2 4.598 17.531 -9.743 1.00 32.44 H new ATOM 0 HB3 GLN A 2 2.925 17.125 -9.411 1.00 32.44 H new ATOM 0 HG2 GLN A 2 4.245 15.377 -8.478 1.00 25.24 H new ATOM 0 HG3 GLN A 2 3.480 14.712 -9.907 1.00 25.24 H new ATOM 0 HE21 GLN A 2 4.713 13.821 -11.493 1.00 63.52 H new ATOM 0 HE22 GLN A 2 6.478 13.887 -11.534 1.00 63.52 H new ATOM 26 N GLU A 3 1.944 15.400 -12.549 1.00 52.11 N ATOM 27 CA GLU A 3 0.642 14.832 -12.882 1.00 73.52 C ATOM 28 C GLU A 3 0.467 13.460 -12.239 1.00 72.20 C ATOM 29 O GLU A 3 1.437 12.731 -12.034 1.00 62.44 O ATOM 30 CB GLU A 3 0.484 14.721 -14.399 1.00 14.41 C ATOM 31 CG GLU A 3 1.519 13.823 -15.055 1.00 32.41 C ATOM 32 CD GLU A 3 2.128 14.446 -16.297 1.00 30.12 C ATOM 33 OE1 GLU A 3 1.561 14.258 -17.394 1.00 21.14 O ATOM 34 OE2 GLU A 3 3.172 15.119 -16.173 1.00 51.31 O ATOM 0 H GLU A 3 2.735 14.924 -12.982 1.00 52.11 H new ATOM 0 HA GLU A 3 -0.128 15.497 -12.491 1.00 73.52 H new ATOM 0 HB2 GLU A 3 -0.512 14.339 -14.625 1.00 14.41 H new ATOM 0 HB3 GLU A 3 0.550 15.717 -14.836 1.00 14.41 H new ATOM 0 HG2 GLU A 3 2.310 13.603 -14.338 1.00 32.41 H new ATOM 0 HG3 GLU A 3 1.055 12.873 -15.320 1.00 32.41 H new ATOM 39 N GLN A 4 -0.777 13.116 -11.923 1.00 63.22 N ATOM 40 CA GLN A 4 -1.081 11.831 -11.302 1.00 12.35 C ATOM 41 C GLN A 4 -0.343 11.681 -9.975 1.00 24.53 C ATOM 42 O GLN A 4 0.810 11.251 -9.940 1.00 34.34 O ATOM 43 CB GLN A 4 -0.703 10.684 -12.242 1.00 41.33 C ATOM 44 CG GLN A 4 -1.899 9.899 -12.755 1.00 54.21 C ATOM 45 CD GLN A 4 -2.436 8.919 -11.732 1.00 41.23 C ATOM 46 OE1 GLN A 4 -1.875 7.840 -11.535 1.00 73.35 O ATOM 47 NE2 GLN A 4 -3.527 9.288 -11.072 1.00 23.12 N ATOM 0 H GLN A 4 -1.591 13.709 -12.086 1.00 63.22 H new ATOM 0 HA GLN A 4 -2.153 11.794 -11.108 1.00 12.35 H new ATOM 0 HB2 GLN A 4 -0.153 11.088 -13.092 1.00 41.33 H new ATOM 0 HB3 GLN A 4 -0.030 10.004 -11.720 1.00 41.33 H new ATOM 0 HG2 GLN A 4 -2.690 10.593 -13.038 1.00 54.21 H new ATOM 0 HG3 GLN A 4 -1.613 9.357 -13.657 1.00 54.21 H new ATOM 0 HE21 GLN A 4 -3.960 10.191 -11.266 1.00 23.12 H new ATOM 0 HE22 GLN A 4 -3.933 8.669 -10.370 1.00 23.12 H new ATOM 54 N ARG A 5 -1.017 12.038 -8.887 1.00 24.24 N ATOM 55 CA ARG A 5 -0.424 11.943 -7.558 1.00 44.30 C ATOM 56 C ARG A 5 -0.845 10.651 -6.865 1.00 24.55 C ATOM 57 O ARG A 5 -1.979 10.524 -6.403 1.00 51.44 O ATOM 58 CB ARG A 5 -0.834 13.147 -6.707 1.00 4.14 C ATOM 59 CG ARG A 5 -0.361 13.063 -5.265 1.00 0.41 C ATOM 60 CD ARG A 5 0.234 14.381 -4.797 1.00 24.14 C ATOM 61 NE ARG A 5 1.192 14.194 -3.710 1.00 54.10 N ATOM 62 CZ ARG A 5 1.790 15.197 -3.077 1.00 32.21 C ATOM 63 NH1 ARG A 5 1.531 16.451 -3.420 1.00 2.14 N ATOM 64 NH2 ARG A 5 2.650 14.946 -2.098 1.00 62.22 N ATOM 0 H ARG A 5 -1.972 12.395 -8.899 1.00 24.24 H new ATOM 0 HA ARG A 5 0.660 11.937 -7.671 1.00 44.30 H new ATOM 0 HB2 ARG A 5 -0.434 14.054 -7.160 1.00 4.14 H new ATOM 0 HB3 ARG A 5 -1.920 13.237 -6.720 1.00 4.14 H new ATOM 0 HG2 ARG A 5 -1.198 12.791 -4.622 1.00 0.41 H new ATOM 0 HG3 ARG A 5 0.383 12.272 -5.170 1.00 0.41 H new ATOM 0 HD2 ARG A 5 0.728 14.873 -5.635 1.00 24.14 H new ATOM 0 HD3 ARG A 5 -0.566 15.042 -4.465 1.00 24.14 H new ATOM 0 HE ARG A 5 1.414 13.241 -3.421 1.00 54.10 H new ATOM 0 HH11 ARG A 5 0.871 16.648 -4.172 1.00 2.14 H new ATOM 0 HH12 ARG A 5 1.992 17.219 -2.932 1.00 2.14 H new ATOM 0 HH21 ARG A 5 2.852 13.982 -1.831 1.00 62.22 H new ATOM 0 HH22 ARG A 5 3.109 15.717 -1.612 1.00 62.22 H new ATOM 75 N GLN A 6 0.075 9.694 -6.798 1.00 43.01 N ATOM 76 CA GLN A 6 -0.201 8.411 -6.163 1.00 41.20 C ATOM 77 C GLN A 6 0.257 8.413 -4.710 1.00 73.21 C ATOM 78 O GLN A 6 0.825 9.394 -4.227 1.00 30.24 O ATOM 79 CB GLN A 6 0.490 7.280 -6.928 1.00 64.51 C ATOM 80 CG GLN A 6 -0.289 6.800 -8.142 1.00 0.03 C ATOM 81 CD GLN A 6 -1.077 5.534 -7.866 1.00 2.42 C ATOM 82 OE1 GLN A 6 -0.597 4.427 -8.109 1.00 32.32 O ATOM 83 NE2 GLN A 6 -2.293 5.692 -7.356 1.00 71.04 N ATOM 0 H GLN A 6 1.018 9.783 -7.176 1.00 43.01 H new ATOM 0 HA GLN A 6 -1.279 8.248 -6.184 1.00 41.20 H new ATOM 0 HB2 GLN A 6 1.475 7.619 -7.250 1.00 64.51 H new ATOM 0 HB3 GLN A 6 0.648 6.439 -6.252 1.00 64.51 H new ATOM 0 HG2 GLN A 6 -0.972 7.586 -8.465 1.00 0.03 H new ATOM 0 HG3 GLN A 6 0.403 6.621 -8.965 1.00 0.03 H new ATOM 0 HE21 GLN A 6 -2.650 6.629 -7.171 1.00 71.04 H new ATOM 0 HE22 GLN A 6 -2.869 4.876 -7.150 1.00 71.04 H new ATOM 90 N CYS A 7 0.009 7.309 -4.014 1.00 60.03 N ATOM 91 CA CYS A 7 0.395 7.182 -2.614 1.00 74.31 C ATOM 92 C CYS A 7 1.784 6.562 -2.487 1.00 41.34 C ATOM 93 O CYS A 7 2.667 7.117 -1.832 1.00 64.53 O ATOM 94 CB CYS A 7 -0.626 6.330 -1.856 1.00 2.41 C ATOM 95 SG CYS A 7 -2.356 6.653 -2.324 1.00 33.30 S ATOM 0 H CYS A 7 -0.459 6.488 -4.398 1.00 60.03 H new ATOM 0 HA CYS A 7 0.420 8.181 -2.178 1.00 74.31 H new ATOM 0 HB2 CYS A 7 -0.404 5.277 -2.029 1.00 2.41 H new ATOM 0 HB3 CYS A 7 -0.510 6.509 -0.787 1.00 2.41 H new ATOM 99 N LYS A 8 1.971 5.409 -3.119 1.00 50.45 N ATOM 100 CA LYS A 8 3.252 4.713 -3.079 1.00 14.15 C ATOM 101 C LYS A 8 3.364 3.712 -4.226 1.00 2.44 C ATOM 102 O LYS A 8 2.764 2.638 -4.186 1.00 25.42 O ATOM 103 CB LYS A 8 3.422 3.991 -1.741 1.00 45.25 C ATOM 104 CG LYS A 8 4.023 4.864 -0.651 1.00 75.25 C ATOM 105 CD LYS A 8 2.976 5.287 0.365 1.00 73.21 C ATOM 106 CE LYS A 8 3.232 4.656 1.725 1.00 61.44 C ATOM 107 NZ LYS A 8 4.233 5.427 2.514 1.00 64.31 N ATOM 0 H LYS A 8 1.251 4.936 -3.666 1.00 50.45 H new ATOM 0 HA LYS A 8 4.043 5.455 -3.188 1.00 14.15 H new ATOM 0 HB2 LYS A 8 2.450 3.626 -1.408 1.00 45.25 H new ATOM 0 HB3 LYS A 8 4.057 3.117 -1.887 1.00 45.25 H new ATOM 0 HG2 LYS A 8 4.822 4.320 -0.147 1.00 75.25 H new ATOM 0 HG3 LYS A 8 4.474 5.749 -1.100 1.00 75.25 H new ATOM 0 HD2 LYS A 8 2.978 6.373 0.460 1.00 73.21 H new ATOM 0 HD3 LYS A 8 1.986 5.000 0.010 1.00 73.21 H new ATOM 0 HE2 LYS A 8 2.296 4.600 2.281 1.00 61.44 H new ATOM 0 HE3 LYS A 8 3.585 3.634 1.590 1.00 61.44 H new ATOM 0 HZ1 LYS A 8 5.135 4.910 2.529 1.00 64.31 H new ATOM 0 HZ2 LYS A 8 4.375 6.360 2.077 1.00 64.31 H new ATOM 0 HZ3 LYS A 8 3.888 5.550 3.487 1.00 64.31 H new ATOM 117 N LYS A 9 4.135 4.073 -5.246 1.00 61.20 N ATOM 118 CA LYS A 9 4.328 3.206 -6.402 1.00 45.51 C ATOM 119 C LYS A 9 5.388 2.146 -6.118 1.00 53.34 C ATOM 120 O LYS A 9 5.845 2.002 -4.983 1.00 41.01 O ATOM 121 CB LYS A 9 4.734 4.034 -7.624 1.00 23.31 C ATOM 122 CG LYS A 9 3.765 5.158 -7.946 1.00 74.25 C ATOM 123 CD LYS A 9 4.490 6.475 -8.164 1.00 43.40 C ATOM 124 CE LYS A 9 3.688 7.412 -9.053 1.00 12.14 C ATOM 125 NZ LYS A 9 3.867 8.838 -8.660 1.00 0.04 N ATOM 0 H LYS A 9 4.636 4.960 -5.296 1.00 61.20 H new ATOM 0 HA LYS A 9 3.383 2.703 -6.608 1.00 45.51 H new ATOM 0 HB2 LYS A 9 5.724 4.457 -7.453 1.00 23.31 H new ATOM 0 HB3 LYS A 9 4.814 3.375 -8.489 1.00 23.31 H new ATOM 0 HG2 LYS A 9 3.195 4.903 -8.840 1.00 74.25 H new ATOM 0 HG3 LYS A 9 3.049 5.267 -7.131 1.00 74.25 H new ATOM 0 HD2 LYS A 9 4.675 6.953 -7.202 1.00 43.40 H new ATOM 0 HD3 LYS A 9 5.463 6.285 -8.618 1.00 43.40 H new ATOM 0 HE2 LYS A 9 3.995 7.280 -10.090 1.00 12.14 H new ATOM 0 HE3 LYS A 9 2.631 7.150 -8.997 1.00 12.14 H new ATOM 0 HZ1 LYS A 9 3.304 9.445 -9.290 1.00 0.04 H new ATOM 0 HZ2 LYS A 9 3.550 8.970 -7.678 1.00 0.04 H new ATOM 0 HZ3 LYS A 9 4.872 9.096 -8.737 1.00 0.04 H new ATOM 135 N ILE A 10 5.777 1.412 -7.154 1.00 40.30 N ATOM 136 CA ILE A 10 6.786 0.369 -7.015 1.00 72.53 C ATOM 137 C ILE A 10 8.127 0.955 -6.589 1.00 23.42 C ATOM 138 O ILE A 10 8.692 1.805 -7.276 1.00 32.55 O ATOM 139 CB ILE A 10 6.973 -0.412 -8.330 1.00 11.12 C ATOM 140 CG1 ILE A 10 5.631 -0.963 -8.817 1.00 12.50 C ATOM 141 CG2 ILE A 10 7.977 -1.539 -8.138 1.00 24.13 C ATOM 142 CD1 ILE A 10 4.932 -1.837 -7.800 1.00 50.10 C ATOM 0 H ILE A 10 5.409 1.520 -8.099 1.00 40.30 H new ATOM 0 HA ILE A 10 6.430 -0.314 -6.244 1.00 72.53 H new ATOM 0 HB ILE A 10 7.361 0.269 -9.088 1.00 11.12 H new ATOM 0 HG12 ILE A 10 4.978 -0.130 -9.078 1.00 12.50 H new ATOM 0 HG13 ILE A 10 5.793 -1.538 -9.728 1.00 12.50 H new ATOM 0 HG21 ILE A 10 8.099 -2.082 -9.075 1.00 24.13 H new ATOM 0 HG22 ILE A 10 8.937 -1.123 -7.832 1.00 24.13 H new ATOM 0 HG23 ILE A 10 7.616 -2.221 -7.368 1.00 24.13 H new ATOM 0 HD11 ILE A 10 3.988 -2.192 -8.213 1.00 50.10 H new ATOM 0 HD12 ILE A 10 5.565 -2.690 -7.557 1.00 50.10 H new ATOM 0 HD13 ILE A 10 4.738 -1.260 -6.896 1.00 50.10 H new ATOM 153 N GLY A 11 8.634 0.493 -5.451 1.00 3.24 N ATOM 154 CA GLY A 11 9.907 0.980 -4.953 1.00 50.44 C ATOM 155 C GLY A 11 9.747 1.932 -3.785 1.00 32.53 C ATOM 156 O GLY A 11 10.729 2.473 -3.277 1.00 22.21 O ATOM 0 H GLY A 11 8.186 -0.211 -4.864 1.00 3.24 H new ATOM 0 HA2 GLY A 11 10.521 0.134 -4.646 1.00 50.44 H new ATOM 0 HA3 GLY A 11 10.440 1.485 -5.759 1.00 50.44 H new ATOM 160 N GLU A 12 8.505 2.140 -3.358 1.00 11.04 N ATOM 161 CA GLU A 12 8.219 3.036 -2.245 1.00 72.23 C ATOM 162 C GLU A 12 8.238 2.280 -0.919 1.00 10.32 C ATOM 163 O GLU A 12 8.399 1.060 -0.890 1.00 45.23 O ATOM 164 CB GLU A 12 6.860 3.713 -2.439 1.00 14.51 C ATOM 165 CG GLU A 12 6.819 4.665 -3.622 1.00 22.04 C ATOM 166 CD GLU A 12 8.106 5.452 -3.783 1.00 61.32 C ATOM 167 OE1 GLU A 12 8.761 5.307 -4.837 1.00 30.33 O ATOM 168 OE2 GLU A 12 8.458 6.211 -2.856 1.00 54.22 O ATOM 0 H GLU A 12 7.681 1.699 -3.767 1.00 11.04 H new ATOM 0 HA GLU A 12 8.996 3.800 -2.220 1.00 72.23 H new ATOM 0 HB2 GLU A 12 6.097 2.946 -2.574 1.00 14.51 H new ATOM 0 HB3 GLU A 12 6.604 4.262 -1.533 1.00 14.51 H new ATOM 0 HG2 GLU A 12 6.628 4.098 -4.533 1.00 22.04 H new ATOM 0 HG3 GLU A 12 5.987 5.358 -3.497 1.00 22.04 H new ATOM 173 N HIS A 13 8.070 3.014 0.177 1.00 34.15 N ATOM 174 CA HIS A 13 8.068 2.413 1.506 1.00 13.40 C ATOM 175 C HIS A 13 6.649 2.328 2.060 1.00 24.02 C ATOM 176 O HIS A 13 5.837 3.232 1.859 1.00 41.11 O ATOM 177 CB HIS A 13 8.951 3.222 2.456 1.00 24.43 C ATOM 178 CG HIS A 13 9.219 2.532 3.758 1.00 65.33 C ATOM 179 ND1 HIS A 13 8.419 2.689 4.871 1.00 41.43 N ATOM 180 CD2 HIS A 13 10.203 1.678 4.122 1.00 32.34 C ATOM 181 CE1 HIS A 13 8.901 1.962 5.863 1.00 21.35 C ATOM 182 NE2 HIS A 13 9.984 1.338 5.433 1.00 4.21 N ATOM 0 H HIS A 13 7.934 4.025 0.171 1.00 34.15 H new ATOM 0 HA HIS A 13 8.469 1.403 1.422 1.00 13.40 H new ATOM 0 HB2 HIS A 13 9.900 3.434 1.964 1.00 24.43 H new ATOM 0 HB3 HIS A 13 8.473 4.182 2.654 1.00 24.43 H new ATOM 0 HD2 HIS A 13 11.011 1.329 3.497 1.00 32.34 H new ATOM 0 HE1 HIS A 13 8.482 1.890 6.856 1.00 21.35 H new ATOM 0 HE2 HIS A 13 10.563 0.706 5.986 1.00 4.21 H new ATOM 189 N CYS A 14 6.357 1.235 2.758 1.00 31.41 N ATOM 190 CA CYS A 14 5.036 1.030 3.341 1.00 10.24 C ATOM 191 C CYS A 14 5.054 -0.124 4.339 1.00 50.24 C ATOM 192 O CYS A 14 5.783 -1.101 4.161 1.00 1.54 O ATOM 193 CB CYS A 14 4.009 0.752 2.242 1.00 4.14 C ATOM 194 SG CYS A 14 4.544 -0.487 1.020 1.00 62.05 S ATOM 0 H CYS A 14 7.017 0.478 2.934 1.00 31.41 H new ATOM 0 HA CYS A 14 4.755 1.940 3.871 1.00 10.24 H new ATOM 0 HB2 CYS A 14 3.081 0.414 2.704 1.00 4.14 H new ATOM 0 HB3 CYS A 14 3.786 1.685 1.724 1.00 4.14 H new ATOM 198 N TYR A 15 4.249 -0.005 5.388 1.00 63.22 N ATOM 199 CA TYR A 15 4.175 -1.037 6.415 1.00 52.43 C ATOM 200 C TYR A 15 3.133 -2.092 6.053 1.00 65.00 C ATOM 201 O TYR A 15 3.288 -3.270 6.374 1.00 64.51 O ATOM 202 CB TYR A 15 3.834 -0.414 7.770 1.00 54.43 C ATOM 203 CG TYR A 15 4.819 0.646 8.213 1.00 71.20 C ATOM 204 CD1 TYR A 15 4.571 1.993 7.978 1.00 24.45 C ATOM 205 CD2 TYR A 15 5.995 0.301 8.865 1.00 52.01 C ATOM 206 CE1 TYR A 15 5.467 2.965 8.380 1.00 55.55 C ATOM 207 CE2 TYR A 15 6.896 1.265 9.272 1.00 75.04 C ATOM 208 CZ TYR A 15 6.627 2.596 9.027 1.00 34.32 C ATOM 209 OH TYR A 15 7.524 3.560 9.429 1.00 52.33 O ATOM 0 H TYR A 15 3.638 0.796 5.550 1.00 63.22 H new ATOM 0 HA TYR A 15 5.150 -1.520 6.479 1.00 52.43 H new ATOM 0 HB2 TYR A 15 2.838 0.026 7.718 1.00 54.43 H new ATOM 0 HB3 TYR A 15 3.796 -1.201 8.523 1.00 54.43 H new ATOM 0 HD1 TYR A 15 3.662 2.285 7.473 1.00 24.45 H new ATOM 0 HD2 TYR A 15 6.209 -0.740 9.057 1.00 52.01 H new ATOM 0 HE1 TYR A 15 5.260 4.007 8.188 1.00 55.55 H new ATOM 0 HE2 TYR A 15 7.806 0.979 9.779 1.00 75.04 H new ATOM 0 HH TYR A 15 8.287 3.133 9.871 1.00 52.33 H new ATOM 218 N VAL A 16 2.072 -1.660 5.380 1.00 5.31 N ATOM 219 CA VAL A 16 1.004 -2.566 4.972 1.00 50.32 C ATOM 220 C VAL A 16 0.597 -2.317 3.524 1.00 14.41 C ATOM 221 O VAL A 16 1.094 -1.395 2.878 1.00 52.01 O ATOM 222 CB VAL A 16 -0.234 -2.418 5.875 1.00 40.21 C ATOM 223 CG1 VAL A 16 0.031 -3.019 7.247 1.00 22.04 C ATOM 224 CG2 VAL A 16 -0.635 -0.956 5.992 1.00 52.25 C ATOM 0 H VAL A 16 1.928 -0.688 5.105 1.00 5.31 H new ATOM 0 HA VAL A 16 1.394 -3.579 5.068 1.00 50.32 H new ATOM 0 HB VAL A 16 -1.062 -2.963 5.421 1.00 40.21 H new ATOM 0 HG11 VAL A 16 -0.855 -2.905 7.871 1.00 22.04 H new ATOM 0 HG12 VAL A 16 0.267 -4.078 7.141 1.00 22.04 H new ATOM 0 HG13 VAL A 16 0.872 -2.505 7.713 1.00 22.04 H new ATOM 0 HG21 VAL A 16 -1.512 -0.869 6.634 1.00 52.25 H new ATOM 0 HG22 VAL A 16 0.188 -0.386 6.423 1.00 52.25 H new ATOM 0 HG23 VAL A 16 -0.869 -0.563 5.003 1.00 52.25 H new ATOM 234 N ALA A 17 -0.312 -3.145 3.020 1.00 54.22 N ATOM 235 CA ALA A 17 -0.789 -3.014 1.648 1.00 71.23 C ATOM 236 C ALA A 17 -1.627 -1.752 1.478 1.00 11.43 C ATOM 237 O ALA A 17 -1.489 -1.032 0.489 1.00 13.55 O ATOM 238 CB ALA A 17 -1.593 -4.242 1.250 1.00 54.11 C ATOM 0 H ALA A 17 -0.733 -3.914 3.541 1.00 54.22 H new ATOM 0 HA ALA A 17 0.078 -2.934 0.993 1.00 71.23 H new ATOM 0 HB1 ALA A 17 -1.943 -4.131 0.224 1.00 54.11 H new ATOM 0 HB2 ALA A 17 -0.964 -5.129 1.325 1.00 54.11 H new ATOM 0 HB3 ALA A 17 -2.449 -4.348 1.916 1.00 54.11 H new ATOM 244 N ASP A 18 -2.496 -1.489 2.448 1.00 11.15 N ATOM 245 CA ASP A 18 -3.358 -0.312 2.405 1.00 13.30 C ATOM 246 C ASP A 18 -2.532 0.959 2.233 1.00 11.20 C ATOM 247 O ASP A 18 -2.970 1.911 1.588 1.00 54.21 O ATOM 248 CB ASP A 18 -4.197 -0.222 3.680 1.00 72.23 C ATOM 249 CG ASP A 18 -5.660 -0.530 3.433 1.00 15.13 C ATOM 250 OD1 ASP A 18 -6.220 -1.376 4.160 1.00 43.33 O ATOM 251 OD2 ASP A 18 -6.247 0.077 2.512 1.00 72.10 O ATOM 0 H ASP A 18 -2.623 -2.074 3.274 1.00 11.15 H new ATOM 0 HA ASP A 18 -4.024 -0.410 1.548 1.00 13.30 H new ATOM 0 HB2 ASP A 18 -3.802 -0.917 4.421 1.00 72.23 H new ATOM 0 HB3 ASP A 18 -4.106 0.779 4.102 1.00 72.23 H new ATOM 255 N GLU A 19 -1.337 0.966 2.815 1.00 44.21 N ATOM 256 CA GLU A 19 -0.453 2.123 2.728 1.00 70.24 C ATOM 257 C GLU A 19 -0.068 2.405 1.279 1.00 54.23 C ATOM 258 O GLU A 19 0.147 3.554 0.894 1.00 72.44 O ATOM 259 CB GLU A 19 0.807 1.893 3.566 1.00 3.45 C ATOM 260 CG GLU A 19 0.731 2.502 4.957 1.00 23.14 C ATOM 261 CD GLU A 19 1.783 3.571 5.184 1.00 31.23 C ATOM 262 OE1 GLU A 19 2.973 3.214 5.313 1.00 34.31 O ATOM 263 OE2 GLU A 19 1.415 4.762 5.232 1.00 21.53 O ATOM 0 H GLU A 19 -0.959 0.185 3.351 1.00 44.21 H new ATOM 0 HA GLU A 19 -0.989 2.988 3.119 1.00 70.24 H new ATOM 0 HB2 GLU A 19 0.983 0.821 3.657 1.00 3.45 H new ATOM 0 HB3 GLU A 19 1.665 2.313 3.041 1.00 3.45 H new ATOM 0 HG2 GLU A 19 -0.259 2.934 5.107 1.00 23.14 H new ATOM 0 HG3 GLU A 19 0.852 1.715 5.701 1.00 23.14 H new ATOM 268 N CYS A 20 0.019 1.346 0.479 1.00 12.33 N ATOM 269 CA CYS A 20 0.379 1.477 -0.927 1.00 35.21 C ATOM 270 C CYS A 20 -0.866 1.651 -1.794 1.00 41.05 C ATOM 271 O CYS A 20 -1.802 0.854 -1.720 1.00 32.13 O ATOM 272 CB CYS A 20 1.169 0.251 -1.389 1.00 53.00 C ATOM 273 SG CYS A 20 2.874 0.621 -1.916 1.00 4.22 S ATOM 0 H CYS A 20 -0.155 0.388 0.782 1.00 12.33 H new ATOM 0 HA CYS A 20 1.002 2.365 -1.036 1.00 35.21 H new ATOM 0 HB2 CYS A 20 1.201 -0.475 -0.577 1.00 53.00 H new ATOM 0 HB3 CYS A 20 0.638 -0.219 -2.217 1.00 53.00 H new ATOM 277 N CYS A 21 -0.869 2.696 -2.613 1.00 12.50 N ATOM 278 CA CYS A 21 -1.997 2.975 -3.494 1.00 4.44 C ATOM 279 C CYS A 21 -2.240 1.811 -4.450 1.00 32.03 C ATOM 280 O CYS A 21 -3.369 1.573 -4.879 1.00 13.43 O ATOM 281 CB CYS A 21 -1.746 4.258 -4.287 1.00 22.10 C ATOM 282 SG CYS A 21 -2.917 5.604 -3.915 1.00 13.22 S ATOM 0 H CYS A 21 -0.102 3.365 -2.686 1.00 12.50 H new ATOM 0 HA CYS A 21 -2.886 3.106 -2.876 1.00 4.44 H new ATOM 0 HB2 CYS A 21 -0.733 4.606 -4.084 1.00 22.10 H new ATOM 0 HB3 CYS A 21 -1.797 4.030 -5.352 1.00 22.10 H new ATOM 286 N SER A 22 -1.173 1.091 -4.781 1.00 34.32 N ATOM 287 CA SER A 22 -1.271 -0.045 -5.689 1.00 4.02 C ATOM 288 C SER A 22 -1.697 -1.305 -4.941 1.00 60.11 C ATOM 289 O SER A 22 -2.127 -2.287 -5.548 1.00 73.30 O ATOM 290 CB SER A 22 0.069 -0.283 -6.387 1.00 64.11 C ATOM 291 OG SER A 22 -0.121 -0.755 -7.710 1.00 30.25 O ATOM 0 H SER A 22 -0.231 1.274 -4.434 1.00 34.32 H new ATOM 0 HA SER A 22 -2.029 0.185 -6.438 1.00 4.02 H new ATOM 0 HB2 SER A 22 0.642 0.644 -6.407 1.00 64.11 H new ATOM 0 HB3 SER A 22 0.654 -1.007 -5.820 1.00 64.11 H new ATOM 0 HG SER A 22 0.751 -0.898 -8.135 1.00 30.25 H new ATOM 296 N LYS A 23 -1.576 -1.269 -3.619 1.00 41.13 N ATOM 297 CA LYS A 23 -1.949 -2.406 -2.784 1.00 41.04 C ATOM 298 C LYS A 23 -1.054 -3.608 -3.071 1.00 44.22 C ATOM 299 O LYS A 23 -1.537 -4.729 -3.227 1.00 31.24 O ATOM 300 CB LYS A 23 -3.414 -2.779 -3.021 1.00 71.41 C ATOM 301 CG LYS A 23 -4.367 -1.600 -2.909 1.00 25.51 C ATOM 302 CD LYS A 23 -5.277 -1.731 -1.700 1.00 62.54 C ATOM 303 CE LYS A 23 -6.371 -0.674 -1.709 1.00 63.21 C ATOM 304 NZ LYS A 23 -6.985 -0.501 -0.364 1.00 71.15 N ATOM 0 H LYS A 23 -1.222 -0.464 -3.101 1.00 41.13 H new ATOM 0 HA LYS A 23 -1.818 -2.118 -1.741 1.00 41.04 H new ATOM 0 HB2 LYS A 23 -3.512 -3.222 -4.012 1.00 71.41 H new ATOM 0 HB3 LYS A 23 -3.707 -3.542 -2.300 1.00 71.41 H new ATOM 0 HG2 LYS A 23 -3.795 -0.675 -2.837 1.00 25.51 H new ATOM 0 HG3 LYS A 23 -4.971 -1.532 -3.814 1.00 25.51 H new ATOM 0 HD2 LYS A 23 -5.728 -2.723 -1.689 1.00 62.54 H new ATOM 0 HD3 LYS A 23 -4.688 -1.638 -0.788 1.00 62.54 H new ATOM 0 HE2 LYS A 23 -5.955 0.276 -2.043 1.00 63.21 H new ATOM 0 HE3 LYS A 23 -7.142 -0.955 -2.427 1.00 63.21 H new ATOM 0 HZ1 LYS A 23 -7.678 0.274 -0.396 1.00 71.15 H new ATOM 0 HZ2 LYS A 23 -7.463 -1.381 -0.085 1.00 71.15 H new ATOM 0 HZ3 LYS A 23 -6.244 -0.274 0.329 1.00 71.15 H new ATOM 314 N ARG A 24 0.250 -3.367 -3.137 1.00 21.34 N ATOM 315 CA ARG A 24 1.212 -4.430 -3.405 1.00 21.41 C ATOM 316 C ARG A 24 2.342 -4.411 -2.380 1.00 0.40 C ATOM 317 O ARG A 24 3.484 -4.747 -2.694 1.00 5.40 O ATOM 318 CB ARG A 24 1.785 -4.285 -4.815 1.00 31.31 C ATOM 319 CG ARG A 24 1.158 -5.230 -5.827 1.00 1.11 C ATOM 320 CD ARG A 24 1.398 -6.685 -5.454 1.00 22.03 C ATOM 321 NE ARG A 24 1.180 -7.583 -6.584 1.00 72.42 N ATOM 322 CZ ARG A 24 0.952 -8.885 -6.455 1.00 51.15 C ATOM 323 NH1 ARG A 24 0.912 -9.439 -5.251 1.00 0.15 N ATOM 324 NH2 ARG A 24 0.763 -9.638 -7.532 1.00 2.41 N ATOM 0 H ARG A 24 0.666 -2.445 -3.009 1.00 21.34 H new ATOM 0 HA ARG A 24 0.692 -5.385 -3.329 1.00 21.41 H new ATOM 0 HB2 ARG A 24 1.642 -3.258 -5.152 1.00 31.31 H new ATOM 0 HB3 ARG A 24 2.860 -4.463 -4.781 1.00 31.31 H new ATOM 0 HG2 ARG A 24 0.086 -5.041 -5.888 1.00 1.11 H new ATOM 0 HG3 ARG A 24 1.573 -5.033 -6.816 1.00 1.11 H new ATOM 0 HD2 ARG A 24 2.419 -6.802 -5.090 1.00 22.03 H new ATOM 0 HD3 ARG A 24 0.734 -6.964 -4.636 1.00 22.03 H new ATOM 0 HE ARG A 24 1.204 -7.189 -7.524 1.00 72.42 H new ATOM 0 HH11 ARG A 24 1.057 -8.865 -4.420 1.00 0.15 H new ATOM 0 HH12 ARG A 24 0.737 -10.439 -5.155 1.00 0.15 H new ATOM 0 HH21 ARG A 24 0.793 -9.217 -8.460 1.00 2.41 H new ATOM 0 HH22 ARG A 24 0.588 -10.638 -7.431 1.00 2.41 H new ATOM 335 N CYS A 25 2.017 -4.014 -1.154 1.00 43.43 N ATOM 336 CA CYS A 25 3.004 -3.949 -0.084 1.00 42.23 C ATOM 337 C CYS A 25 3.108 -5.288 0.641 1.00 34.23 C ATOM 338 O CYS A 25 2.141 -6.048 0.707 1.00 13.14 O ATOM 339 CB CYS A 25 2.637 -2.846 0.911 1.00 20.11 C ATOM 340 SG CYS A 25 4.054 -2.191 1.849 1.00 35.53 S ATOM 0 H CYS A 25 1.077 -3.732 -0.877 1.00 43.43 H new ATOM 0 HA CYS A 25 3.972 -3.720 -0.530 1.00 42.23 H new ATOM 0 HB2 CYS A 25 2.163 -2.027 0.371 1.00 20.11 H new ATOM 0 HB3 CYS A 25 1.899 -3.235 1.612 1.00 20.11 H new ATOM 344 N LEU A 26 4.287 -5.571 1.184 1.00 72.20 N ATOM 345 CA LEU A 26 4.520 -6.817 1.904 1.00 55.12 C ATOM 346 C LEU A 26 5.218 -6.556 3.234 1.00 43.12 C ATOM 347 O LEU A 26 5.967 -5.588 3.375 1.00 44.04 O ATOM 348 CB LEU A 26 5.358 -7.773 1.054 1.00 32.20 C ATOM 349 CG LEU A 26 5.428 -9.220 1.541 1.00 51.14 C ATOM 350 CD1 LEU A 26 4.174 -9.980 1.138 1.00 41.23 C ATOM 351 CD2 LEU A 26 6.670 -9.909 0.993 1.00 33.40 C ATOM 0 H LEU A 26 5.097 -4.953 1.139 1.00 72.20 H new ATOM 0 HA LEU A 26 3.552 -7.276 2.107 1.00 55.12 H new ATOM 0 HB2 LEU A 26 4.958 -7.771 0.040 1.00 32.20 H new ATOM 0 HB3 LEU A 26 6.373 -7.381 0.997 1.00 32.20 H new ATOM 0 HG LEU A 26 5.491 -9.214 2.629 1.00 51.14 H new ATOM 0 HD11 LEU A 26 4.242 -11.008 1.493 1.00 41.23 H new ATOM 0 HD12 LEU A 26 3.300 -9.500 1.579 1.00 41.23 H new ATOM 0 HD13 LEU A 26 4.080 -9.977 0.052 1.00 41.23 H new ATOM 0 HD21 LEU A 26 6.703 -10.938 1.350 1.00 33.40 H new ATOM 0 HD22 LEU A 26 6.638 -9.904 -0.097 1.00 33.40 H new ATOM 0 HD23 LEU A 26 7.560 -9.379 1.332 1.00 33.40 H new ATOM 362 N PHE A 27 4.971 -7.426 4.209 1.00 74.42 N ATOM 363 CA PHE A 27 5.577 -7.289 5.527 1.00 12.34 C ATOM 364 C PHE A 27 7.085 -7.510 5.459 1.00 21.32 C ATOM 365 O PHE A 27 7.844 -6.942 6.244 1.00 65.24 O ATOM 366 CB PHE A 27 4.949 -8.285 6.506 1.00 52.45 C ATOM 367 CG PHE A 27 3.627 -7.831 7.056 1.00 34.22 C ATOM 368 CD1 PHE A 27 2.573 -7.537 6.207 1.00 21.20 C ATOM 369 CD2 PHE A 27 3.440 -7.699 8.422 1.00 13.42 C ATOM 370 CE1 PHE A 27 1.354 -7.119 6.710 1.00 44.41 C ATOM 371 CE2 PHE A 27 2.224 -7.283 8.931 1.00 22.04 C ATOM 372 CZ PHE A 27 1.180 -6.992 8.074 1.00 55.32 C ATOM 0 H PHE A 27 4.355 -8.233 4.110 1.00 74.42 H new ATOM 0 HA PHE A 27 5.392 -6.275 5.880 1.00 12.34 H new ATOM 0 HB2 PHE A 27 4.815 -9.242 6.002 1.00 52.45 H new ATOM 0 HB3 PHE A 27 5.639 -8.454 7.333 1.00 52.45 H new ATOM 0 HD1 PHE A 27 2.704 -7.635 5.140 1.00 21.20 H new ATOM 0 HD2 PHE A 27 4.253 -7.923 9.097 1.00 13.42 H new ATOM 0 HE1 PHE A 27 0.540 -6.892 6.037 1.00 44.41 H new ATOM 0 HE2 PHE A 27 2.090 -7.185 9.998 1.00 22.04 H new ATOM 0 HZ PHE A 27 0.230 -6.666 8.470 1.00 55.32 H new ATOM 381 N TYR A 28 7.513 -8.339 4.513 1.00 24.15 N ATOM 382 CA TYR A 28 8.930 -8.638 4.342 1.00 42.22 C ATOM 383 C TYR A 28 9.599 -7.605 3.440 1.00 64.32 C ATOM 384 O TYR A 28 10.638 -7.043 3.787 1.00 52.42 O ATOM 385 CB TYR A 28 9.110 -10.038 3.753 1.00 43.05 C ATOM 386 CG TYR A 28 8.628 -11.145 4.664 1.00 43.42 C ATOM 387 CD1 TYR A 28 7.340 -11.654 4.549 1.00 4.24 C ATOM 388 CD2 TYR A 28 9.460 -11.680 5.639 1.00 65.43 C ATOM 389 CE1 TYR A 28 6.895 -12.664 5.380 1.00 31.12 C ATOM 390 CE2 TYR A 28 9.024 -12.693 6.473 1.00 14.24 C ATOM 391 CZ TYR A 28 7.741 -13.180 6.340 1.00 71.23 C ATOM 392 OH TYR A 28 7.302 -14.187 7.170 1.00 4.41 O ATOM 0 H TYR A 28 6.899 -8.816 3.853 1.00 24.15 H new ATOM 0 HA TYR A 28 9.404 -8.600 5.323 1.00 42.22 H new ATOM 0 HB2 TYR A 28 8.572 -10.097 2.807 1.00 43.05 H new ATOM 0 HB3 TYR A 28 10.165 -10.196 3.530 1.00 43.05 H new ATOM 0 HD1 TYR A 28 6.676 -11.253 3.797 1.00 4.24 H new ATOM 0 HD2 TYR A 28 10.464 -11.298 5.748 1.00 65.43 H new ATOM 0 HE1 TYR A 28 5.890 -13.048 5.279 1.00 31.12 H new ATOM 0 HE2 TYR A 28 9.685 -13.100 7.224 1.00 14.24 H new ATOM 0 HH TYR A 28 8.020 -14.438 7.788 1.00 4.41 H new ATOM 401 N ALA A 29 8.996 -7.361 2.282 1.00 61.12 N ATOM 402 CA ALA A 29 9.531 -6.395 1.331 1.00 21.34 C ATOM 403 C ALA A 29 9.425 -4.973 1.874 1.00 24.31 C ATOM 404 O ALA A 29 10.340 -4.167 1.714 1.00 43.14 O ATOM 405 CB ALA A 29 8.806 -6.509 -0.002 1.00 2.14 C ATOM 0 H ALA A 29 8.136 -7.819 1.979 1.00 61.12 H new ATOM 0 HA ALA A 29 10.587 -6.619 1.178 1.00 21.34 H new ATOM 0 HB1 ALA A 29 9.216 -5.782 -0.703 1.00 2.14 H new ATOM 0 HB2 ALA A 29 8.938 -7.514 -0.403 1.00 2.14 H new ATOM 0 HB3 ALA A 29 7.744 -6.313 0.144 1.00 2.14 H new ATOM 411 N ALA A 30 8.299 -4.672 2.514 1.00 71.15 N ATOM 412 CA ALA A 30 8.074 -3.349 3.082 1.00 3.03 C ATOM 413 C ALA A 30 8.065 -2.281 1.994 1.00 12.05 C ATOM 414 O ALA A 30 8.079 -1.084 2.285 1.00 32.52 O ATOM 415 CB ALA A 30 9.136 -3.034 4.125 1.00 72.24 C ATOM 0 H ALA A 30 7.529 -5.327 2.652 1.00 71.15 H new ATOM 0 HA ALA A 30 7.097 -3.349 3.565 1.00 3.03 H new ATOM 0 HB1 ALA A 30 8.955 -2.043 4.541 1.00 72.24 H new ATOM 0 HB2 ALA A 30 9.093 -3.775 4.923 1.00 72.24 H new ATOM 0 HB3 ALA A 30 10.121 -3.058 3.660 1.00 72.24 H new ATOM 421 N LYS A 31 8.041 -2.718 0.740 1.00 34.24 N ATOM 422 CA LYS A 31 8.030 -1.801 -0.392 1.00 22.22 C ATOM 423 C LYS A 31 7.120 -2.317 -1.503 1.00 22.40 C ATOM 424 O LYS A 31 7.096 -3.515 -1.792 1.00 1.32 O ATOM 425 CB LYS A 31 9.448 -1.602 -0.929 1.00 4.22 C ATOM 426 CG LYS A 31 9.491 -1.085 -2.357 1.00 12.42 C ATOM 427 CD LYS A 31 9.599 -2.223 -3.359 1.00 61.02 C ATOM 428 CE LYS A 31 11.027 -2.735 -3.470 1.00 62.44 C ATOM 429 NZ LYS A 31 11.238 -3.969 -2.663 1.00 3.33 N ATOM 0 H LYS A 31 8.029 -3.705 0.482 1.00 34.24 H new ATOM 0 HA LYS A 31 7.643 -0.843 -0.046 1.00 22.22 H new ATOM 0 HB2 LYS A 31 9.978 -0.903 -0.282 1.00 4.22 H new ATOM 0 HB3 LYS A 31 9.983 -2.550 -0.879 1.00 4.22 H new ATOM 0 HG2 LYS A 31 8.592 -0.503 -2.561 1.00 12.42 H new ATOM 0 HG3 LYS A 31 10.340 -0.412 -2.476 1.00 12.42 H new ATOM 0 HD2 LYS A 31 8.942 -3.038 -3.057 1.00 61.02 H new ATOM 0 HD3 LYS A 31 9.257 -1.882 -4.336 1.00 61.02 H new ATOM 0 HE2 LYS A 31 11.259 -2.940 -4.515 1.00 62.44 H new ATOM 0 HE3 LYS A 31 11.718 -1.960 -3.136 1.00 62.44 H new ATOM 0 HZ1 LYS A 31 11.945 -4.572 -3.130 1.00 3.33 H new ATOM 0 HZ2 LYS A 31 11.576 -3.710 -1.714 1.00 3.33 H new ATOM 0 HZ3 LYS A 31 10.340 -4.488 -2.581 1.00 3.33 H new ATOM 439 N CYS A 32 6.378 -1.408 -2.125 1.00 14.43 N ATOM 440 CA CYS A 32 5.468 -1.773 -3.205 1.00 55.04 C ATOM 441 C CYS A 32 6.192 -2.585 -4.275 1.00 42.15 C ATOM 442 O CYS A 32 7.079 -2.078 -4.962 1.00 65.14 O ATOM 443 CB CYS A 32 4.857 -0.516 -3.829 1.00 44.43 C ATOM 444 SG CYS A 32 3.052 -0.387 -3.624 1.00 21.24 S ATOM 0 H CYS A 32 6.388 -0.413 -1.900 1.00 14.43 H new ATOM 0 HA CYS A 32 4.672 -2.387 -2.785 1.00 55.04 H new ATOM 0 HB2 CYS A 32 5.326 0.362 -3.385 1.00 44.43 H new ATOM 0 HB3 CYS A 32 5.093 -0.500 -4.893 1.00 44.43 H new ATOM 448 N VAL A 33 5.808 -3.850 -4.409 1.00 0.54 N ATOM 449 CA VAL A 33 6.419 -4.734 -5.396 1.00 35.11 C ATOM 450 C VAL A 33 5.396 -5.195 -6.427 1.00 1.55 C ATOM 451 O VAL A 33 4.292 -5.613 -6.078 1.00 55.23 O ATOM 452 CB VAL A 33 7.051 -5.968 -4.728 1.00 31.33 C ATOM 453 CG1 VAL A 33 8.420 -5.627 -4.158 1.00 71.52 C ATOM 454 CG2 VAL A 33 6.136 -6.516 -3.643 1.00 3.21 C ATOM 0 H VAL A 33 5.077 -4.286 -3.847 1.00 0.54 H new ATOM 0 HA VAL A 33 7.200 -4.161 -5.895 1.00 35.11 H new ATOM 0 HB VAL A 33 7.181 -6.740 -5.486 1.00 31.33 H new ATOM 0 HG11 VAL A 33 8.850 -6.512 -3.690 1.00 71.52 H new ATOM 0 HG12 VAL A 33 9.074 -5.287 -4.961 1.00 71.52 H new ATOM 0 HG13 VAL A 33 8.318 -4.837 -3.414 1.00 71.52 H new ATOM 0 HG21 VAL A 33 6.600 -7.388 -3.182 1.00 3.21 H new ATOM 0 HG22 VAL A 33 5.971 -5.750 -2.885 1.00 3.21 H new ATOM 0 HG23 VAL A 33 5.181 -6.803 -4.083 1.00 3.21 H new ATOM 464 N SER A 34 5.772 -5.119 -7.701 1.00 34.41 N ATOM 465 CA SER A 34 4.885 -5.526 -8.785 1.00 1.31 C ATOM 466 C SER A 34 4.379 -6.948 -8.567 1.00 14.03 C ATOM 467 O SER A 34 5.165 -7.883 -8.424 1.00 14.13 O ATOM 468 CB SER A 34 5.612 -5.431 -10.127 1.00 75.31 C ATOM 469 OG SER A 34 4.888 -6.099 -11.147 1.00 52.24 O ATOM 0 H SER A 34 6.684 -4.780 -8.007 1.00 34.41 H new ATOM 0 HA SER A 34 4.028 -4.852 -8.795 1.00 1.31 H new ATOM 0 HB2 SER A 34 5.747 -4.384 -10.398 1.00 75.31 H new ATOM 0 HB3 SER A 34 6.607 -5.867 -10.037 1.00 75.31 H new ATOM 0 HG SER A 34 5.372 -6.023 -11.996 1.00 52.24 H new TER 474 SER A 34