USER MOD reduce.3.24.130724 H: found=0, std=0, add=258, rem=0, adj=8 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+ -168:sc= 0 (180deg=-0.186) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 8 LYS NZ :NH3+ -106:sc= 0.691 (180deg=-0.223) 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=-0.026) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -23:sc= 0.0976 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -152:sc= -0.0878 (180deg=-1.68) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 3.845 15.001 -14.679 1.00 20.23 N ATOM 2 CA SER A 1 4.906 14.692 -15.631 1.00 22.42 C ATOM 3 C SER A 1 5.313 13.225 -15.532 1.00 24.24 C ATOM 4 O SER A 1 5.620 12.586 -16.539 1.00 74.52 O ATOM 5 CB SER A 1 6.121 15.589 -15.384 1.00 70.21 C ATOM 6 OG SER A 1 6.741 15.276 -14.149 1.00 65.24 O ATOM 0 H1 SER A 1 3.444 15.935 -14.897 1.00 20.23 H new ATOM 0 H2 SER A 1 3.098 14.280 -14.745 1.00 20.23 H new ATOM 0 H3 SER A 1 4.235 15.008 -13.715 1.00 20.23 H new ATOM 0 HA SER A 1 4.525 14.879 -16.635 1.00 22.42 H new ATOM 0 HB2 SER A 1 6.838 15.468 -16.196 1.00 70.21 H new ATOM 0 HB3 SER A 1 5.812 16.634 -15.385 1.00 70.21 H new ATOM 0 HG SER A 1 7.516 15.861 -14.014 1.00 65.24 H new ATOM 11 N GLN A 2 5.314 12.699 -14.311 1.00 45.43 N ATOM 12 CA GLN A 2 5.684 11.308 -14.080 1.00 14.41 C ATOM 13 C GLN A 2 4.735 10.650 -13.084 1.00 33.32 C ATOM 14 O GLN A 2 4.285 9.524 -13.293 1.00 3.31 O ATOM 15 CB GLN A 2 7.123 11.220 -13.566 1.00 32.44 C ATOM 16 CG GLN A 2 7.387 12.088 -12.347 1.00 25.24 C ATOM 17 CD GLN A 2 8.867 12.277 -12.075 1.00 25.03 C ATOM 18 OE1 GLN A 2 9.541 13.047 -12.758 1.00 53.12 O ATOM 19 NE2 GLN A 2 9.378 11.573 -11.072 1.00 63.52 N ATOM 0 H GLN A 2 5.063 13.215 -13.468 1.00 45.43 H new ATOM 0 HA GLN A 2 5.611 10.777 -15.029 1.00 14.41 H new ATOM 0 HB2 GLN A 2 7.349 10.183 -13.319 1.00 32.44 H new ATOM 0 HB3 GLN A 2 7.804 11.513 -14.365 1.00 32.44 H new ATOM 0 HG2 GLN A 2 6.921 13.063 -12.492 1.00 25.24 H new ATOM 0 HG3 GLN A 2 6.916 11.635 -11.474 1.00 25.24 H new ATOM 0 HE21 GLN A 2 8.781 10.946 -10.532 1.00 63.52 H new ATOM 0 HE22 GLN A 2 10.368 11.659 -10.841 1.00 63.52 H new ATOM 26 N GLU A 3 4.436 11.361 -12.001 1.00 52.11 N ATOM 27 CA GLU A 3 3.540 10.845 -10.973 1.00 73.52 C ATOM 28 C GLU A 3 2.173 11.518 -11.053 1.00 72.20 C ATOM 29 O GLU A 3 2.049 12.633 -11.557 1.00 62.44 O ATOM 30 CB GLU A 3 4.145 11.058 -9.584 1.00 14.41 C ATOM 31 CG GLU A 3 4.148 12.510 -9.138 1.00 32.41 C ATOM 32 CD GLU A 3 5.367 12.864 -8.308 1.00 30.12 C ATOM 33 OE1 GLU A 3 6.129 13.761 -8.727 1.00 21.14 O ATOM 34 OE2 GLU A 3 5.560 12.244 -7.242 1.00 51.31 O ATOM 0 H GLU A 3 4.801 12.295 -11.813 1.00 52.11 H new ATOM 0 HA GLU A 3 3.410 9.777 -11.145 1.00 73.52 H new ATOM 0 HB2 GLU A 3 3.587 10.465 -8.859 1.00 14.41 H new ATOM 0 HB3 GLU A 3 5.169 10.684 -9.582 1.00 14.41 H new ATOM 0 HG2 GLU A 3 4.111 13.156 -10.015 1.00 32.41 H new ATOM 0 HG3 GLU A 3 3.247 12.709 -8.557 1.00 32.41 H new ATOM 39 N GLN A 4 1.151 10.831 -10.552 1.00 63.22 N ATOM 40 CA GLN A 4 -0.207 11.363 -10.568 1.00 12.35 C ATOM 41 C GLN A 4 -0.765 11.472 -9.153 1.00 24.53 C ATOM 42 O GLN A 4 -1.865 10.994 -8.871 1.00 34.34 O ATOM 43 CB GLN A 4 -1.114 10.474 -11.421 1.00 41.33 C ATOM 44 CG GLN A 4 -2.273 11.223 -12.059 1.00 54.21 C ATOM 45 CD GLN A 4 -2.573 10.746 -13.465 1.00 41.23 C ATOM 46 OE1 GLN A 4 -2.708 9.546 -13.711 1.00 73.35 O ATOM 47 NE2 GLN A 4 -2.679 11.683 -14.400 1.00 23.12 N ATOM 0 H GLN A 4 1.237 9.906 -10.131 1.00 63.22 H new ATOM 0 HA GLN A 4 -0.175 12.362 -11.004 1.00 12.35 H new ATOM 0 HB2 GLN A 4 -0.518 10.007 -12.205 1.00 41.33 H new ATOM 0 HB3 GLN A 4 -1.509 9.670 -10.800 1.00 41.33 H new ATOM 0 HG2 GLN A 4 -3.163 11.102 -11.441 1.00 54.21 H new ATOM 0 HG3 GLN A 4 -2.043 12.288 -12.082 1.00 54.21 H new ATOM 0 HE21 GLN A 4 -2.560 12.666 -14.153 1.00 23.12 H new ATOM 0 HE22 GLN A 4 -2.879 11.420 -15.365 1.00 23.12 H new ATOM 54 N ARG A 5 -0.001 12.102 -8.267 1.00 24.24 N ATOM 55 CA ARG A 5 -0.419 12.272 -6.881 1.00 44.30 C ATOM 56 C ARG A 5 -0.674 10.920 -6.221 1.00 24.55 C ATOM 57 O ARG A 5 -1.609 10.769 -5.435 1.00 51.44 O ATOM 58 CB ARG A 5 -1.682 13.132 -6.809 1.00 4.14 C ATOM 59 CG ARG A 5 -1.820 13.904 -5.506 1.00 0.41 C ATOM 60 CD ARG A 5 -3.188 14.555 -5.388 1.00 24.14 C ATOM 61 NE ARG A 5 -3.357 15.248 -4.112 1.00 54.10 N ATOM 62 CZ ARG A 5 -4.486 15.841 -3.741 1.00 32.21 C ATOM 63 NH1 ARG A 5 -5.541 15.826 -4.544 1.00 2.14 N ATOM 64 NH2 ARG A 5 -4.560 16.450 -2.565 1.00 62.22 N ATOM 0 H ARG A 5 0.911 12.503 -8.485 1.00 24.24 H new ATOM 0 HA ARG A 5 0.386 12.774 -6.344 1.00 44.30 H new ATOM 0 HB2 ARG A 5 -1.679 13.837 -7.641 1.00 4.14 H new ATOM 0 HB3 ARG A 5 -2.555 12.492 -6.936 1.00 4.14 H new ATOM 0 HG2 ARG A 5 -1.663 13.230 -4.664 1.00 0.41 H new ATOM 0 HG3 ARG A 5 -1.046 14.669 -5.451 1.00 0.41 H new ATOM 0 HD2 ARG A 5 -3.324 15.263 -6.206 1.00 24.14 H new ATOM 0 HD3 ARG A 5 -3.962 13.794 -5.493 1.00 24.14 H new ATOM 0 HE ARG A 5 -2.564 15.278 -3.471 1.00 54.10 H new ATOM 0 HH11 ARG A 5 -5.487 15.358 -5.449 1.00 2.14 H new ATOM 0 HH12 ARG A 5 -6.407 16.282 -4.257 1.00 2.14 H new ATOM 0 HH21 ARG A 5 -3.750 16.463 -1.946 1.00 62.22 H new ATOM 0 HH22 ARG A 5 -5.427 16.905 -2.280 1.00 62.22 H new ATOM 75 N GLN A 6 0.166 9.942 -6.545 1.00 43.01 N ATOM 76 CA GLN A 6 0.030 8.602 -5.984 1.00 41.20 C ATOM 77 C GLN A 6 0.469 8.578 -4.523 1.00 73.21 C ATOM 78 O GLN A 6 1.030 9.549 -4.016 1.00 30.24 O ATOM 79 CB GLN A 6 0.857 7.601 -6.793 1.00 64.51 C ATOM 80 CG GLN A 6 0.118 7.032 -7.994 1.00 0.03 C ATOM 81 CD GLN A 6 -0.719 5.819 -7.642 1.00 2.42 C ATOM 82 OE1 GLN A 6 -0.190 4.731 -7.409 1.00 32.32 O ATOM 83 NE2 GLN A 6 -2.035 5.998 -7.599 1.00 71.04 N ATOM 0 H GLN A 6 0.947 10.052 -7.192 1.00 43.01 H new ATOM 0 HA GLN A 6 -1.021 8.319 -6.035 1.00 41.20 H new ATOM 0 HB2 GLN A 6 1.769 8.089 -7.136 1.00 64.51 H new ATOM 0 HB3 GLN A 6 1.160 6.781 -6.141 1.00 64.51 H new ATOM 0 HG2 GLN A 6 -0.526 7.802 -8.418 1.00 0.03 H new ATOM 0 HG3 GLN A 6 0.839 6.760 -8.764 1.00 0.03 H new ATOM 0 HE21 GLN A 6 -2.432 6.916 -7.799 1.00 71.04 H new ATOM 0 HE22 GLN A 6 -2.649 5.217 -7.366 1.00 71.04 H new ATOM 90 N CYS A 7 0.208 7.462 -3.851 1.00 60.03 N ATOM 91 CA CYS A 7 0.574 7.310 -2.448 1.00 74.31 C ATOM 92 C CYS A 7 1.960 6.687 -2.312 1.00 41.34 C ATOM 93 O CYS A 7 2.833 7.229 -1.634 1.00 64.53 O ATOM 94 CB CYS A 7 -0.459 6.447 -1.720 1.00 2.41 C ATOM 95 SG CYS A 7 -2.183 6.781 -2.206 1.00 33.30 S ATOM 0 H CYS A 7 -0.256 6.649 -4.256 1.00 60.03 H new ATOM 0 HA CYS A 7 0.594 8.301 -1.994 1.00 74.31 H new ATOM 0 HB2 CYS A 7 -0.237 5.397 -1.908 1.00 2.41 H new ATOM 0 HB3 CYS A 7 -0.358 6.607 -0.646 1.00 2.41 H new ATOM 99 N LYS A 8 2.155 5.545 -2.961 1.00 50.45 N ATOM 100 CA LYS A 8 3.435 4.846 -2.915 1.00 14.15 C ATOM 101 C LYS A 8 3.562 3.867 -4.077 1.00 2.44 C ATOM 102 O LYS A 8 2.964 2.791 -4.065 1.00 25.42 O ATOM 103 CB LYS A 8 3.584 4.100 -1.588 1.00 45.25 C ATOM 104 CG LYS A 8 4.168 4.952 -0.473 1.00 75.25 C ATOM 105 CD LYS A 8 3.106 5.359 0.534 1.00 73.21 C ATOM 106 CE LYS A 8 3.350 4.718 1.891 1.00 61.44 C ATOM 107 NZ LYS A 8 4.348 5.477 2.692 1.00 64.31 N ATOM 0 H LYS A 8 1.443 5.083 -3.526 1.00 50.45 H new ATOM 0 HA LYS A 8 4.229 5.588 -2.999 1.00 14.15 H new ATOM 0 HB2 LYS A 8 2.607 3.730 -1.277 1.00 45.25 H new ATOM 0 HB3 LYS A 8 4.221 3.229 -1.740 1.00 45.25 H new ATOM 0 HG2 LYS A 8 4.958 4.397 0.034 1.00 75.25 H new ATOM 0 HG3 LYS A 8 4.628 5.844 -0.899 1.00 75.25 H new ATOM 0 HD2 LYS A 8 3.099 6.444 0.639 1.00 73.21 H new ATOM 0 HD3 LYS A 8 2.123 5.068 0.165 1.00 73.21 H new ATOM 0 HE2 LYS A 8 2.410 4.662 2.440 1.00 61.44 H new ATOM 0 HE3 LYS A 8 3.699 3.695 1.752 1.00 61.44 H new ATOM 0 HZ1 LYS A 8 5.248 4.956 2.710 1.00 64.31 H new ATOM 0 HZ2 LYS A 8 4.498 6.412 2.263 1.00 64.31 H new ATOM 0 HZ3 LYS A 8 3.996 5.594 3.664 1.00 64.31 H new ATOM 117 N LYS A 9 4.347 4.246 -5.081 1.00 61.20 N ATOM 118 CA LYS A 9 4.556 3.401 -6.251 1.00 45.51 C ATOM 119 C LYS A 9 5.616 2.341 -5.973 1.00 53.34 C ATOM 120 O LYS A 9 6.081 2.197 -4.841 1.00 41.01 O ATOM 121 CB LYS A 9 4.973 4.252 -7.452 1.00 23.31 C ATOM 122 CG LYS A 9 4.002 5.376 -7.767 1.00 74.25 C ATOM 123 CD LYS A 9 3.606 5.377 -9.234 1.00 43.40 C ATOM 124 CE LYS A 9 2.710 4.195 -9.570 1.00 12.14 C ATOM 125 NZ LYS A 9 1.901 4.442 -10.796 1.00 0.04 N ATOM 0 H LYS A 9 4.849 5.134 -5.107 1.00 61.20 H new ATOM 0 HA LYS A 9 3.616 2.899 -6.479 1.00 45.51 H new ATOM 0 HB2 LYS A 9 5.958 4.677 -7.261 1.00 23.31 H new ATOM 0 HB3 LYS A 9 5.068 3.609 -8.327 1.00 23.31 H new ATOM 0 HG2 LYS A 9 3.110 5.272 -7.149 1.00 74.25 H new ATOM 0 HG3 LYS A 9 4.457 6.333 -7.511 1.00 74.25 H new ATOM 0 HD2 LYS A 9 3.088 6.306 -9.472 1.00 43.40 H new ATOM 0 HD3 LYS A 9 4.502 5.344 -9.854 1.00 43.40 H new ATOM 0 HE2 LYS A 9 3.322 3.304 -9.712 1.00 12.14 H new ATOM 0 HE3 LYS A 9 2.045 3.994 -8.730 1.00 12.14 H new ATOM 0 HZ1 LYS A 9 1.304 3.613 -10.991 1.00 0.04 H new ATOM 0 HZ2 LYS A 9 1.298 5.277 -10.652 1.00 0.04 H new ATOM 0 HZ3 LYS A 9 2.536 4.609 -11.603 1.00 0.04 H new ATOM 135 N ILE A 10 5.995 1.603 -7.011 1.00 40.30 N ATOM 136 CA ILE A 10 7.002 0.557 -6.877 1.00 72.53 C ATOM 137 C ILE A 10 8.339 1.137 -6.427 1.00 23.42 C ATOM 138 O ILE A 10 8.912 1.996 -7.096 1.00 32.55 O ATOM 139 CB ILE A 10 7.205 -0.201 -8.203 1.00 11.12 C ATOM 140 CG1 ILE A 10 5.869 -0.741 -8.716 1.00 12.50 C ATOM 141 CG2 ILE A 10 8.205 -1.332 -8.017 1.00 24.13 C ATOM 142 CD1 ILE A 10 5.157 -1.634 -7.723 1.00 50.10 C ATOM 0 H ILE A 10 5.620 1.710 -7.954 1.00 40.30 H new ATOM 0 HA ILE A 10 6.637 -0.139 -6.122 1.00 72.53 H new ATOM 0 HB ILE A 10 7.603 0.491 -8.945 1.00 11.12 H new ATOM 0 HG12 ILE A 10 5.220 0.098 -8.969 1.00 12.50 H new ATOM 0 HG13 ILE A 10 6.041 -1.299 -9.636 1.00 12.50 H new ATOM 0 HG21 ILE A 10 8.338 -1.859 -8.962 1.00 24.13 H new ATOM 0 HG22 ILE A 10 9.161 -0.922 -7.692 1.00 24.13 H new ATOM 0 HG23 ILE A 10 7.833 -2.027 -7.264 1.00 24.13 H new ATOM 0 HD11 ILE A 10 4.217 -1.980 -8.154 1.00 50.10 H new ATOM 0 HD12 ILE A 10 5.787 -2.492 -7.489 1.00 50.10 H new ATOM 0 HD13 ILE A 10 4.953 -1.074 -6.811 1.00 50.10 H new ATOM 153 N GLY A 11 8.831 0.659 -5.288 1.00 3.24 N ATOM 154 CA GLY A 11 10.097 1.141 -4.767 1.00 50.44 C ATOM 155 C GLY A 11 9.922 2.073 -3.586 1.00 32.53 C ATOM 156 O GLY A 11 10.898 2.604 -3.056 1.00 22.21 O ATOM 0 H GLY A 11 8.376 -0.053 -4.717 1.00 3.24 H new ATOM 0 HA2 GLY A 11 10.710 0.291 -4.467 1.00 50.44 H new ATOM 0 HA3 GLY A 11 10.638 1.660 -5.558 1.00 50.44 H new ATOM 160 N GLU A 12 8.674 2.277 -3.174 1.00 11.04 N ATOM 161 CA GLU A 12 8.375 3.157 -2.050 1.00 72.23 C ATOM 162 C GLU A 12 8.371 2.378 -0.738 1.00 10.32 C ATOM 163 O GLU A 12 8.510 1.155 -0.727 1.00 45.23 O ATOM 164 CB GLU A 12 7.022 3.841 -2.255 1.00 14.51 C ATOM 165 CG GLU A 12 7.009 4.830 -3.408 1.00 22.04 C ATOM 166 CD GLU A 12 8.300 5.620 -3.514 1.00 61.32 C ATOM 167 OE1 GLU A 12 8.412 6.664 -2.840 1.00 30.33 O ATOM 168 OE2 GLU A 12 9.196 5.193 -4.272 1.00 54.22 O ATOM 0 H GLU A 12 7.855 1.845 -3.601 1.00 11.04 H new ATOM 0 HA GLU A 12 9.154 3.918 -1.999 1.00 72.23 H new ATOM 0 HB2 GLU A 12 6.262 3.080 -2.432 1.00 14.51 H new ATOM 0 HB3 GLU A 12 6.745 4.361 -1.338 1.00 14.51 H new ATOM 0 HG2 GLU A 12 6.839 4.293 -4.341 1.00 22.04 H new ATOM 0 HG3 GLU A 12 6.175 5.520 -3.281 1.00 22.04 H new ATOM 173 N HIS A 13 8.210 3.098 0.369 1.00 34.15 N ATOM 174 CA HIS A 13 8.187 2.475 1.688 1.00 13.40 C ATOM 175 C HIS A 13 6.760 2.380 2.220 1.00 24.02 C ATOM 176 O HIS A 13 5.950 3.287 2.018 1.00 41.11 O ATOM 177 CB HIS A 13 9.056 3.268 2.664 1.00 24.43 C ATOM 178 CG HIS A 13 9.307 2.556 3.958 1.00 65.33 C ATOM 179 ND1 HIS A 13 8.495 2.695 5.064 1.00 41.43 N ATOM 180 CD2 HIS A 13 10.285 1.693 4.318 1.00 32.34 C ATOM 181 CE1 HIS A 13 8.964 1.951 6.048 1.00 21.35 C ATOM 182 NE2 HIS A 13 10.050 1.331 5.622 1.00 4.21 N ATOM 0 H HIS A 13 8.094 4.111 0.378 1.00 34.15 H new ATOM 0 HA HIS A 13 8.588 1.466 1.593 1.00 13.40 H new ATOM 0 HB2 HIS A 13 10.012 3.489 2.189 1.00 24.43 H new ATOM 0 HB3 HIS A 13 8.575 4.224 2.872 1.00 24.43 H new ATOM 0 HD2 HIS A 13 11.099 1.352 3.696 1.00 32.34 H new ATOM 0 HE1 HIS A 13 8.533 1.864 7.034 1.00 21.35 H new ATOM 0 HE2 HIS A 13 10.621 0.689 6.172 1.00 4.21 H new ATOM 189 N CYS A 14 6.458 1.280 2.898 1.00 31.41 N ATOM 190 CA CYS A 14 5.129 1.065 3.458 1.00 10.24 C ATOM 191 C CYS A 14 5.134 -0.104 4.439 1.00 50.24 C ATOM 192 O CYS A 14 5.864 -1.078 4.257 1.00 1.54 O ATOM 193 CB CYS A 14 4.118 0.803 2.340 1.00 4.14 C ATOM 194 SG CYS A 14 4.672 -0.421 1.109 1.00 62.05 S ATOM 0 H CYS A 14 7.117 0.521 3.074 1.00 31.41 H new ATOM 0 HA CYS A 14 4.839 1.967 3.997 1.00 10.24 H new ATOM 0 HB2 CYS A 14 3.183 0.460 2.783 1.00 4.14 H new ATOM 0 HB3 CYS A 14 3.903 1.743 1.831 1.00 4.14 H new ATOM 198 N TYR A 15 4.313 0.001 5.479 1.00 63.22 N ATOM 199 CA TYR A 15 4.223 -1.046 6.489 1.00 52.43 C ATOM 200 C TYR A 15 3.186 -2.094 6.098 1.00 65.00 C ATOM 201 O TYR A 15 3.338 -3.278 6.400 1.00 64.51 O ATOM 202 CB TYR A 15 3.866 -0.442 7.849 1.00 54.43 C ATOM 203 CG TYR A 15 4.932 0.477 8.402 1.00 71.20 C ATOM 204 CD1 TYR A 15 4.916 1.838 8.122 1.00 24.45 C ATOM 205 CD2 TYR A 15 5.955 -0.016 9.202 1.00 52.01 C ATOM 206 CE1 TYR A 15 5.888 2.681 8.624 1.00 55.55 C ATOM 207 CE2 TYR A 15 6.930 0.821 9.710 1.00 75.04 C ATOM 208 CZ TYR A 15 6.892 2.168 9.418 1.00 34.32 C ATOM 209 OH TYR A 15 7.863 3.005 9.921 1.00 52.33 O ATOM 0 H TYR A 15 3.701 0.800 5.644 1.00 63.22 H new ATOM 0 HA TYR A 15 5.196 -1.533 6.558 1.00 52.43 H new ATOM 0 HB2 TYR A 15 2.932 0.113 7.757 1.00 54.43 H new ATOM 0 HB3 TYR A 15 3.689 -1.249 8.560 1.00 54.43 H new ATOM 0 HD1 TYR A 15 4.130 2.243 7.502 1.00 24.45 H new ATOM 0 HD2 TYR A 15 5.989 -1.071 9.431 1.00 52.01 H new ATOM 0 HE1 TYR A 15 5.862 3.736 8.396 1.00 55.55 H new ATOM 0 HE2 TYR A 15 7.717 0.422 10.332 1.00 75.04 H new ATOM 0 HH TYR A 15 8.495 2.486 10.461 1.00 52.33 H new ATOM 218 N VAL A 16 2.132 -1.650 5.422 1.00 5.31 N ATOM 219 CA VAL A 16 1.069 -2.549 4.986 1.00 50.32 C ATOM 220 C VAL A 16 0.680 -2.278 3.537 1.00 14.41 C ATOM 221 O VAL A 16 1.185 -1.346 2.912 1.00 52.01 O ATOM 222 CB VAL A 16 -0.181 -2.413 5.875 1.00 40.21 C ATOM 223 CG1 VAL A 16 0.060 -3.047 7.237 1.00 22.04 C ATOM 224 CG2 VAL A 16 -0.574 -0.950 6.022 1.00 52.25 C ATOM 0 H VAL A 16 1.991 -0.673 5.164 1.00 5.31 H new ATOM 0 HA VAL A 16 1.458 -3.564 5.071 1.00 50.32 H new ATOM 0 HB VAL A 16 -1.005 -2.941 5.395 1.00 40.21 H new ATOM 0 HG11 VAL A 16 -0.834 -2.941 7.851 1.00 22.04 H new ATOM 0 HG12 VAL A 16 0.290 -4.105 7.110 1.00 22.04 H new ATOM 0 HG13 VAL A 16 0.897 -2.550 7.727 1.00 22.04 H new ATOM 0 HG21 VAL A 16 -1.459 -0.873 6.653 1.00 52.25 H new ATOM 0 HG22 VAL A 16 0.247 -0.397 6.479 1.00 52.25 H new ATOM 0 HG23 VAL A 16 -0.791 -0.531 5.039 1.00 52.25 H new ATOM 234 N ALA A 17 -0.223 -3.099 3.009 1.00 54.22 N ATOM 235 CA ALA A 17 -0.682 -2.946 1.635 1.00 71.23 C ATOM 236 C ALA A 17 -1.518 -1.681 1.472 1.00 11.43 C ATOM 237 O ALA A 17 -1.366 -0.947 0.495 1.00 13.55 O ATOM 238 CB ALA A 17 -1.481 -4.167 1.207 1.00 54.11 C ATOM 0 H ALA A 17 -0.650 -3.876 3.513 1.00 54.22 H new ATOM 0 HA ALA A 17 0.195 -2.855 0.994 1.00 71.23 H new ATOM 0 HB1 ALA A 17 -1.818 -4.039 0.178 1.00 54.11 H new ATOM 0 HB2 ALA A 17 -0.853 -5.055 1.275 1.00 54.11 H new ATOM 0 HB3 ALA A 17 -2.346 -4.283 1.860 1.00 54.11 H new ATOM 244 N ASP A 18 -2.399 -1.432 2.434 1.00 11.15 N ATOM 245 CA ASP A 18 -3.259 -0.256 2.397 1.00 13.30 C ATOM 246 C ASP A 18 -2.432 1.018 2.256 1.00 11.20 C ATOM 247 O ASP A 18 -2.861 1.981 1.620 1.00 54.21 O ATOM 248 CB ASP A 18 -4.117 -0.184 3.662 1.00 72.23 C ATOM 249 CG ASP A 18 -5.556 -0.588 3.410 1.00 15.13 C ATOM 250 OD1 ASP A 18 -5.809 -1.797 3.222 1.00 43.33 O ATOM 251 OD2 ASP A 18 -6.429 0.304 3.401 1.00 72.10 O ATOM 0 H ASP A 18 -2.536 -2.029 3.249 1.00 11.15 H new ATOM 0 HA ASP A 18 -3.912 -0.342 1.529 1.00 13.30 H new ATOM 0 HB2 ASP A 18 -3.689 -0.834 4.425 1.00 72.23 H new ATOM 0 HB3 ASP A 18 -4.092 0.832 4.057 1.00 72.23 H new ATOM 255 N GLU A 19 -1.245 1.016 2.855 1.00 44.21 N ATOM 256 CA GLU A 19 -0.359 2.173 2.797 1.00 70.24 C ATOM 257 C GLU A 19 0.046 2.477 1.357 1.00 54.23 C ATOM 258 O GLU A 19 0.266 3.632 0.993 1.00 72.44 O ATOM 259 CB GLU A 19 0.889 1.930 3.648 1.00 3.45 C ATOM 260 CG GLU A 19 0.799 2.525 5.043 1.00 23.14 C ATOM 261 CD GLU A 19 0.838 4.041 5.035 1.00 31.23 C ATOM 262 OE1 GLU A 19 -0.245 4.662 4.992 1.00 34.31 O ATOM 263 OE2 GLU A 19 1.951 4.607 5.069 1.00 21.53 O ATOM 0 H GLU A 19 -0.875 0.227 3.385 1.00 44.21 H new ATOM 0 HA GLU A 19 -0.900 3.032 3.194 1.00 70.24 H new ATOM 0 HB2 GLU A 19 1.059 0.857 3.730 1.00 3.45 H new ATOM 0 HB3 GLU A 19 1.755 2.352 3.137 1.00 3.45 H new ATOM 0 HG2 GLU A 19 -0.124 2.192 5.517 1.00 23.14 H new ATOM 0 HG3 GLU A 19 1.623 2.147 5.649 1.00 23.14 H new ATOM 268 N CYS A 20 0.143 1.431 0.542 1.00 12.33 N ATOM 269 CA CYS A 20 0.523 1.583 -0.857 1.00 35.21 C ATOM 270 C CYS A 20 -0.711 1.772 -1.737 1.00 41.05 C ATOM 271 O CYS A 20 -1.649 0.976 -1.688 1.00 32.13 O ATOM 272 CB CYS A 20 1.316 0.363 -1.328 1.00 53.00 C ATOM 273 SG CYS A 20 3.029 0.738 -1.824 1.00 4.22 S ATOM 0 H CYS A 20 -0.037 0.468 0.827 1.00 12.33 H new ATOM 0 HA CYS A 20 1.150 2.470 -0.943 1.00 35.21 H new ATOM 0 HB2 CYS A 20 1.334 -0.377 -0.528 1.00 53.00 H new ATOM 0 HB3 CYS A 20 0.796 -0.092 -2.171 1.00 53.00 H new ATOM 277 N CYS A 21 -0.700 2.830 -2.540 1.00 12.50 N ATOM 278 CA CYS A 21 -1.816 3.126 -3.431 1.00 4.44 C ATOM 279 C CYS A 21 -2.050 1.977 -4.408 1.00 32.03 C ATOM 280 O CYS A 21 -3.174 1.746 -4.853 1.00 13.43 O ATOM 281 CB CYS A 21 -1.552 4.420 -4.202 1.00 22.10 C ATOM 282 SG CYS A 21 -2.722 5.763 -3.823 1.00 13.22 S ATOM 0 H CYS A 21 0.070 3.497 -2.592 1.00 12.50 H new ATOM 0 HA CYS A 21 -2.711 3.251 -2.822 1.00 4.44 H new ATOM 0 HB2 CYS A 21 -0.540 4.761 -3.982 1.00 22.10 H new ATOM 0 HB3 CYS A 21 -1.592 4.208 -5.270 1.00 22.10 H new ATOM 286 N SER A 22 -0.980 1.260 -4.737 1.00 34.32 N ATOM 287 CA SER A 22 -1.067 0.138 -5.665 1.00 4.02 C ATOM 288 C SER A 22 -1.503 -1.132 -4.940 1.00 60.11 C ATOM 289 O SER A 22 -1.926 -2.104 -5.567 1.00 73.30 O ATOM 290 CB SER A 22 0.281 -0.090 -6.350 1.00 64.11 C ATOM 291 OG SER A 22 0.168 -1.041 -7.394 1.00 30.25 O ATOM 0 H SER A 22 -0.043 1.436 -4.375 1.00 34.32 H new ATOM 0 HA SER A 22 -1.814 0.380 -6.421 1.00 4.02 H new ATOM 0 HB2 SER A 22 0.653 0.853 -6.751 1.00 64.11 H new ATOM 0 HB3 SER A 22 1.011 -0.434 -5.618 1.00 64.11 H new ATOM 0 HG SER A 22 -0.609 -1.616 -7.230 1.00 30.25 H new ATOM 296 N LYS A 23 -1.397 -1.116 -3.616 1.00 41.13 N ATOM 297 CA LYS A 23 -1.781 -2.265 -2.804 1.00 41.04 C ATOM 298 C LYS A 23 -0.885 -3.463 -3.098 1.00 44.22 C ATOM 299 O LYS A 23 -1.368 -4.581 -3.281 1.00 31.24 O ATOM 300 CB LYS A 23 -3.244 -2.633 -3.063 1.00 71.41 C ATOM 301 CG LYS A 23 -4.197 -1.456 -2.947 1.00 25.51 C ATOM 302 CD LYS A 23 -5.124 -1.605 -1.751 1.00 62.54 C ATOM 303 CE LYS A 23 -6.215 -0.545 -1.756 1.00 63.21 C ATOM 304 NZ LYS A 23 -7.360 -0.924 -0.883 1.00 71.15 N ATOM 0 H LYS A 23 -1.048 -0.320 -3.082 1.00 41.13 H new ATOM 0 HA LYS A 23 -1.661 -1.993 -1.755 1.00 41.04 H new ATOM 0 HB2 LYS A 23 -3.331 -3.063 -4.061 1.00 71.41 H new ATOM 0 HB3 LYS A 23 -3.546 -3.405 -2.356 1.00 71.41 H new ATOM 0 HG2 LYS A 23 -3.626 -0.532 -2.853 1.00 25.51 H new ATOM 0 HG3 LYS A 23 -4.788 -1.374 -3.859 1.00 25.51 H new ATOM 0 HD2 LYS A 23 -5.578 -2.596 -1.762 1.00 62.54 H new ATOM 0 HD3 LYS A 23 -4.546 -1.530 -0.830 1.00 62.54 H new ATOM 0 HE2 LYS A 23 -5.800 0.405 -1.419 1.00 63.21 H new ATOM 0 HE3 LYS A 23 -6.570 -0.394 -2.775 1.00 63.21 H new ATOM 0 HZ1 LYS A 23 -8.082 -0.176 -0.913 1.00 71.15 H new ATOM 0 HZ2 LYS A 23 -7.772 -1.817 -1.220 1.00 71.15 H new ATOM 0 HZ3 LYS A 23 -7.026 -1.043 0.095 1.00 71.15 H new ATOM 314 N ARG A 24 0.421 -3.223 -3.141 1.00 21.34 N ATOM 315 CA ARG A 24 1.384 -4.284 -3.413 1.00 21.41 C ATOM 316 C ARG A 24 2.501 -4.283 -2.373 1.00 0.40 C ATOM 317 O ARG A 24 3.647 -4.616 -2.677 1.00 5.40 O ATOM 318 CB ARG A 24 1.977 -4.117 -4.814 1.00 31.31 C ATOM 319 CG ARG A 24 1.362 -5.044 -5.849 1.00 1.11 C ATOM 320 CD ARG A 24 1.594 -6.505 -5.497 1.00 22.03 C ATOM 321 NE ARG A 24 1.310 -7.392 -6.623 1.00 72.42 N ATOM 322 CZ ARG A 24 0.084 -7.757 -6.979 1.00 51.15 C ATOM 323 NH1 ARG A 24 -0.967 -7.313 -6.302 1.00 0.15 N ATOM 324 NH2 ARG A 24 -0.094 -8.566 -8.015 1.00 2.41 N ATOM 0 H ARG A 24 0.837 -2.304 -2.991 1.00 21.34 H new ATOM 0 HA ARG A 24 0.861 -5.239 -3.359 1.00 21.41 H new ATOM 0 HB2 ARG A 24 1.841 -3.085 -5.136 1.00 31.31 H new ATOM 0 HB3 ARG A 24 3.051 -4.298 -4.769 1.00 31.31 H new ATOM 0 HG2 ARG A 24 0.292 -4.852 -5.921 1.00 1.11 H new ATOM 0 HG3 ARG A 24 1.790 -4.832 -6.829 1.00 1.11 H new ATOM 0 HD2 ARG A 24 2.628 -6.642 -5.180 1.00 22.03 H new ATOM 0 HD3 ARG A 24 0.963 -6.779 -4.652 1.00 22.03 H new ATOM 0 HE ARG A 24 2.096 -7.750 -7.165 1.00 72.42 H new ATOM 0 HH11 ARG A 24 -0.834 -6.690 -5.506 1.00 0.15 H new ATOM 0 HH12 ARG A 24 -1.908 -7.595 -6.578 1.00 0.15 H new ATOM 0 HH21 ARG A 24 0.711 -8.908 -8.539 1.00 2.41 H new ATOM 0 HH22 ARG A 24 -1.036 -8.846 -8.288 1.00 2.41 H new ATOM 335 N CYS A 25 2.160 -3.905 -1.146 1.00 43.43 N ATOM 336 CA CYS A 25 3.132 -3.859 -0.061 1.00 42.23 C ATOM 337 C CYS A 25 3.226 -5.209 0.644 1.00 34.23 C ATOM 338 O CYS A 25 2.256 -5.968 0.687 1.00 13.14 O ATOM 339 CB CYS A 25 2.754 -2.772 0.946 1.00 20.11 C ATOM 340 SG CYS A 25 4.159 -2.132 1.914 1.00 35.53 S ATOM 0 H CYS A 25 1.216 -3.626 -0.878 1.00 43.43 H new ATOM 0 HA CYS A 25 4.106 -3.624 -0.491 1.00 42.23 H new ATOM 0 HB2 CYS A 25 2.287 -1.944 0.412 1.00 20.11 H new ATOM 0 HB3 CYS A 25 2.006 -3.171 1.631 1.00 20.11 H new ATOM 344 N LEU A 26 4.398 -5.504 1.195 1.00 72.20 N ATOM 345 CA LEU A 26 4.618 -6.763 1.898 1.00 55.12 C ATOM 346 C LEU A 26 5.302 -6.523 3.240 1.00 43.12 C ATOM 347 O LEU A 26 6.049 -5.559 3.405 1.00 44.04 O ATOM 348 CB LEU A 26 5.466 -7.706 1.042 1.00 32.20 C ATOM 349 CG LEU A 26 5.526 -9.161 1.508 1.00 51.14 C ATOM 350 CD1 LEU A 26 4.275 -9.912 1.076 1.00 41.23 C ATOM 351 CD2 LEU A 26 6.772 -9.843 0.964 1.00 33.40 C ATOM 0 H LEU A 26 5.211 -4.888 1.169 1.00 72.20 H new ATOM 0 HA LEU A 26 3.647 -7.224 2.082 1.00 55.12 H new ATOM 0 HB2 LEU A 26 5.079 -7.687 0.023 1.00 32.20 H new ATOM 0 HB3 LEU A 26 6.483 -7.315 1.004 1.00 32.20 H new ATOM 0 HG LEU A 26 5.575 -9.172 2.597 1.00 51.14 H new ATOM 0 HD11 LEU A 26 4.335 -10.946 1.416 1.00 41.23 H new ATOM 0 HD12 LEU A 26 3.396 -9.437 1.513 1.00 41.23 H new ATOM 0 HD13 LEU A 26 4.196 -9.892 -0.011 1.00 41.23 H new ATOM 0 HD21 LEU A 26 6.799 -10.878 1.305 1.00 33.40 H new ATOM 0 HD22 LEU A 26 6.753 -9.821 -0.126 1.00 33.40 H new ATOM 0 HD23 LEU A 26 7.659 -9.320 1.322 1.00 33.40 H new ATOM 362 N PHE A 27 5.041 -7.409 4.197 1.00 74.42 N ATOM 363 CA PHE A 27 5.632 -7.295 5.526 1.00 12.34 C ATOM 364 C PHE A 27 7.141 -7.517 5.471 1.00 21.32 C ATOM 365 O PHE A 27 7.890 -6.965 6.277 1.00 65.24 O ATOM 366 CB PHE A 27 4.990 -8.304 6.481 1.00 52.45 C ATOM 367 CG PHE A 27 3.662 -7.857 7.020 1.00 34.22 C ATOM 368 CD1 PHE A 27 3.454 -7.753 8.386 1.00 21.20 C ATOM 369 CD2 PHE A 27 2.621 -7.542 6.162 1.00 13.42 C ATOM 370 CE1 PHE A 27 2.232 -7.342 8.886 1.00 44.41 C ATOM 371 CE2 PHE A 27 1.397 -7.130 6.655 1.00 22.04 C ATOM 372 CZ PHE A 27 1.202 -7.032 8.020 1.00 55.32 C ATOM 0 H PHE A 27 4.425 -8.213 4.077 1.00 74.42 H new ATOM 0 HA PHE A 27 5.445 -6.287 5.895 1.00 12.34 H new ATOM 0 HB2 PHE A 27 4.861 -9.253 5.961 1.00 52.45 H new ATOM 0 HB3 PHE A 27 5.669 -8.486 7.314 1.00 52.45 H new ATOM 0 HD1 PHE A 27 4.255 -7.996 9.068 1.00 21.20 H new ATOM 0 HD2 PHE A 27 2.767 -7.619 5.095 1.00 13.42 H new ATOM 0 HE1 PHE A 27 2.083 -7.264 9.953 1.00 44.41 H new ATOM 0 HE2 PHE A 27 0.595 -6.885 5.975 1.00 22.04 H new ATOM 0 HZ PHE A 27 0.246 -6.714 8.408 1.00 55.32 H new ATOM 381 N TYR A 28 7.578 -8.331 4.516 1.00 24.15 N ATOM 382 CA TYR A 28 8.996 -8.629 4.357 1.00 42.22 C ATOM 383 C TYR A 28 9.679 -7.582 3.483 1.00 64.32 C ATOM 384 O TYR A 28 10.713 -7.027 3.853 1.00 52.42 O ATOM 385 CB TYR A 28 9.180 -10.019 3.745 1.00 43.05 C ATOM 386 CG TYR A 28 8.689 -11.141 4.631 1.00 43.42 C ATOM 387 CD1 TYR A 28 7.402 -11.647 4.495 1.00 4.24 C ATOM 388 CD2 TYR A 28 9.511 -11.694 5.604 1.00 65.43 C ATOM 389 CE1 TYR A 28 6.948 -12.671 5.302 1.00 31.12 C ATOM 390 CE2 TYR A 28 9.066 -12.721 6.416 1.00 14.24 C ATOM 391 CZ TYR A 28 7.784 -13.205 6.260 1.00 71.23 C ATOM 392 OH TYR A 28 7.336 -14.227 7.067 1.00 4.41 O ATOM 0 H TYR A 28 6.971 -8.796 3.841 1.00 24.15 H new ATOM 0 HA TYR A 28 9.458 -8.609 5.344 1.00 42.22 H new ATOM 0 HB2 TYR A 28 8.650 -10.061 2.793 1.00 43.05 H new ATOM 0 HB3 TYR A 28 10.237 -10.174 3.529 1.00 43.05 H new ATOM 0 HD1 TYR A 28 6.745 -11.232 3.745 1.00 4.24 H new ATOM 0 HD2 TYR A 28 10.515 -11.316 5.729 1.00 65.43 H new ATOM 0 HE1 TYR A 28 5.944 -13.052 5.184 1.00 31.12 H new ATOM 0 HE2 TYR A 28 9.718 -13.141 7.167 1.00 14.24 H new ATOM 0 HH TYR A 28 8.048 -14.490 7.687 1.00 4.41 H new ATOM 401 N ALA A 29 9.092 -7.315 2.321 1.00 61.12 N ATOM 402 CA ALA A 29 9.640 -6.333 1.394 1.00 21.34 C ATOM 403 C ALA A 29 9.526 -4.922 1.961 1.00 24.31 C ATOM 404 O ALA A 29 10.445 -4.113 1.828 1.00 43.14 O ATOM 405 CB ALA A 29 8.934 -6.423 0.050 1.00 2.14 C ATOM 0 H ALA A 29 8.236 -7.766 1.999 1.00 61.12 H new ATOM 0 HA ALA A 29 10.697 -6.555 1.251 1.00 21.34 H new ATOM 0 HB1 ALA A 29 9.354 -5.684 -0.632 1.00 2.14 H new ATOM 0 HB2 ALA A 29 9.071 -7.421 -0.367 1.00 2.14 H new ATOM 0 HB3 ALA A 29 7.870 -6.229 0.184 1.00 2.14 H new ATOM 411 N ALA A 30 8.393 -4.631 2.590 1.00 71.15 N ATOM 412 CA ALA A 30 8.159 -3.318 3.178 1.00 3.03 C ATOM 413 C ALA A 30 8.163 -2.230 2.108 1.00 12.05 C ATOM 414 O ALA A 30 8.173 -1.039 2.420 1.00 32.52 O ATOM 415 CB ALA A 30 9.208 -3.021 4.239 1.00 72.24 C ATOM 0 H ALA A 30 7.621 -5.288 2.706 1.00 71.15 H new ATOM 0 HA ALA A 30 7.175 -3.327 3.648 1.00 3.03 H new ATOM 0 HB1 ALA A 30 9.021 -2.037 4.670 1.00 72.24 H new ATOM 0 HB2 ALA A 30 9.156 -3.776 5.023 1.00 72.24 H new ATOM 0 HB3 ALA A 30 10.199 -3.036 3.785 1.00 72.24 H new ATOM 421 N LYS A 31 8.157 -2.648 0.847 1.00 34.24 N ATOM 422 CA LYS A 31 8.159 -1.710 -0.269 1.00 22.22 C ATOM 423 C LYS A 31 7.266 -2.209 -1.401 1.00 22.40 C ATOM 424 O LYS A 31 7.245 -3.401 -1.709 1.00 1.32 O ATOM 425 CB LYS A 31 9.585 -1.501 -0.784 1.00 4.22 C ATOM 426 CG LYS A 31 9.646 -0.960 -2.203 1.00 12.42 C ATOM 427 CD LYS A 31 9.768 -2.080 -3.222 1.00 61.02 C ATOM 428 CE LYS A 31 11.197 -2.591 -3.320 1.00 62.44 C ATOM 429 NZ LYS A 31 11.273 -4.067 -3.138 1.00 3.33 N ATOM 0 H LYS A 31 8.151 -3.630 0.572 1.00 34.24 H new ATOM 0 HA LYS A 31 7.765 -0.758 0.088 1.00 22.22 H new ATOM 0 HB2 LYS A 31 10.105 -0.812 -0.119 1.00 4.22 H new ATOM 0 HB3 LYS A 31 10.120 -2.450 -0.742 1.00 4.22 H new ATOM 0 HG2 LYS A 31 8.749 -0.375 -2.409 1.00 12.42 H new ATOM 0 HG3 LYS A 31 10.496 -0.285 -2.300 1.00 12.42 H new ATOM 0 HD2 LYS A 31 9.106 -2.900 -2.944 1.00 61.02 H new ATOM 0 HD3 LYS A 31 9.441 -1.722 -4.198 1.00 61.02 H new ATOM 0 HE2 LYS A 31 11.612 -2.323 -4.292 1.00 62.44 H new ATOM 0 HE3 LYS A 31 11.811 -2.100 -2.565 1.00 62.44 H new ATOM 0 HZ1 LYS A 31 12.202 -4.321 -2.745 1.00 3.33 H new ATOM 0 HZ2 LYS A 31 10.524 -4.375 -2.485 1.00 3.33 H new ATOM 0 HZ3 LYS A 31 11.146 -4.537 -4.057 1.00 3.33 H new ATOM 439 N CYS A 32 6.531 -1.290 -2.017 1.00 14.43 N ATOM 440 CA CYS A 32 5.637 -1.636 -3.116 1.00 55.04 C ATOM 441 C CYS A 32 6.375 -2.433 -4.188 1.00 42.15 C ATOM 442 O CYS A 32 7.272 -1.915 -4.854 1.00 65.14 O ATOM 443 CB CYS A 32 5.036 -0.370 -3.730 1.00 44.43 C ATOM 444 SG CYS A 32 3.228 -0.242 -3.547 1.00 21.24 S ATOM 0 H CYS A 32 6.537 -0.299 -1.774 1.00 14.43 H new ATOM 0 HA CYS A 32 4.834 -2.255 -2.716 1.00 55.04 H new ATOM 0 HB2 CYS A 32 5.500 0.501 -3.267 1.00 44.43 H new ATOM 0 HB3 CYS A 32 5.286 -0.339 -4.790 1.00 44.43 H new ATOM 448 N VAL A 33 5.992 -3.695 -4.349 1.00 0.54 N ATOM 449 CA VAL A 33 6.616 -4.564 -5.340 1.00 35.11 C ATOM 450 C VAL A 33 5.608 -5.008 -6.393 1.00 1.55 C ATOM 451 O VAL A 33 4.498 -5.429 -6.067 1.00 55.23 O ATOM 452 CB VAL A 33 7.238 -5.810 -4.682 1.00 31.33 C ATOM 453 CG1 VAL A 33 8.599 -5.479 -4.090 1.00 71.52 C ATOM 454 CG2 VAL A 33 6.306 -6.371 -3.618 1.00 3.21 C ATOM 0 H VAL A 33 5.252 -4.139 -3.806 1.00 0.54 H new ATOM 0 HA VAL A 33 7.405 -3.984 -5.818 1.00 35.11 H new ATOM 0 HB VAL A 33 7.379 -6.572 -5.448 1.00 31.33 H new ATOM 0 HG11 VAL A 33 9.022 -6.372 -3.630 1.00 71.52 H new ATOM 0 HG12 VAL A 33 9.263 -5.128 -4.879 1.00 71.52 H new ATOM 0 HG13 VAL A 33 8.488 -4.700 -3.336 1.00 71.52 H new ATOM 0 HG21 VAL A 33 6.761 -7.251 -3.163 1.00 3.21 H new ATOM 0 HG22 VAL A 33 6.132 -5.616 -2.852 1.00 3.21 H new ATOM 0 HG23 VAL A 33 5.357 -6.649 -4.076 1.00 3.21 H new ATOM 464 N SER A 34 6.001 -4.912 -7.659 1.00 34.41 N ATOM 465 CA SER A 34 5.130 -5.301 -8.762 1.00 1.31 C ATOM 466 C SER A 34 4.626 -6.729 -8.578 1.00 14.03 C ATOM 467 O SER A 34 5.391 -7.629 -8.239 1.00 14.13 O ATOM 468 CB SER A 34 5.874 -5.178 -10.093 1.00 75.31 C ATOM 469 OG SER A 34 5.374 -6.104 -11.044 1.00 52.24 O ATOM 0 H SER A 34 6.917 -4.568 -7.946 1.00 34.41 H new ATOM 0 HA SER A 34 4.271 -4.630 -8.770 1.00 1.31 H new ATOM 0 HB2 SER A 34 5.770 -4.164 -10.479 1.00 75.31 H new ATOM 0 HB3 SER A 34 6.938 -5.352 -9.936 1.00 75.31 H new ATOM 0 HG SER A 34 5.865 -6.005 -11.887 1.00 52.24 H new TER 474 SER A 34