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+ -121:sc= 0.533 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.217 USER MOD Single : A 2 GLN : amide:sc= -0.0178 X(o=-0.018,f=0) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 GLN : amide:sc= -1.44 K(o=-1.4,f=-2.8) USER MOD Single : A 8 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0953) 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=-0.023) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 153:sc= -0.317 (180deg=-1.79) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 0.987 12.458 -17.299 1.00 20.23 N ATOM 2 CA SER A 1 0.532 12.913 -15.990 1.00 22.42 C ATOM 3 C SER A 1 1.378 14.083 -15.497 1.00 24.24 C ATOM 4 O SER A 1 2.308 14.518 -16.176 1.00 74.52 O ATOM 5 CB SER A 1 0.591 11.765 -14.980 1.00 70.21 C ATOM 6 OG SER A 1 1.300 10.657 -15.507 1.00 65.24 O ATOM 0 H1 SER A 1 0.207 12.534 -17.983 1.00 20.23 H new ATOM 0 H2 SER A 1 1.783 13.048 -17.614 1.00 20.23 H new ATOM 0 H3 SER A 1 1.296 11.467 -17.234 1.00 20.23 H new ATOM 0 HA SER A 1 -0.500 13.250 -16.088 1.00 22.42 H new ATOM 0 HB2 SER A 1 1.073 12.107 -14.064 1.00 70.21 H new ATOM 0 HB3 SER A 1 -0.421 11.459 -14.713 1.00 70.21 H new ATOM 0 HG SER A 1 1.325 9.938 -14.842 1.00 65.24 H new ATOM 11 N GLN A 2 1.048 14.586 -14.312 1.00 45.43 N ATOM 12 CA GLN A 2 1.777 15.706 -13.728 1.00 14.41 C ATOM 13 C GLN A 2 1.477 15.833 -12.238 1.00 33.32 C ATOM 14 O GLN A 2 2.361 15.660 -11.401 1.00 3.31 O ATOM 15 CB GLN A 2 1.415 17.007 -14.446 1.00 32.44 C ATOM 16 CG GLN A 2 2.370 17.366 -15.573 1.00 25.24 C ATOM 17 CD GLN A 2 2.798 18.821 -15.534 1.00 25.03 C ATOM 18 OE1 GLN A 2 3.990 19.129 -15.557 1.00 53.12 O ATOM 19 NE2 GLN A 2 1.825 19.723 -15.474 1.00 63.52 N ATOM 0 H GLN A 2 0.281 14.236 -13.738 1.00 45.43 H new ATOM 0 HA GLN A 2 2.843 15.516 -13.850 1.00 14.41 H new ATOM 0 HB2 GLN A 2 0.406 16.921 -14.849 1.00 32.44 H new ATOM 0 HB3 GLN A 2 1.400 17.820 -13.721 1.00 32.44 H new ATOM 0 HG2 GLN A 2 3.253 16.730 -15.513 1.00 25.24 H new ATOM 0 HG3 GLN A 2 1.892 17.157 -16.530 1.00 25.24 H new ATOM 0 HE21 GLN A 2 0.851 19.422 -15.457 1.00 63.52 H new ATOM 0 HE22 GLN A 2 2.052 20.717 -15.445 1.00 63.52 H new ATOM 26 N GLU A 3 0.224 16.137 -11.916 1.00 52.11 N ATOM 27 CA GLU A 3 -0.192 16.288 -10.526 1.00 73.52 C ATOM 28 C GLU A 3 -0.544 14.936 -9.913 1.00 72.20 C ATOM 29 O GLU A 3 -0.810 13.970 -10.629 1.00 62.44 O ATOM 30 CB GLU A 3 -1.391 17.232 -10.430 1.00 14.41 C ATOM 31 CG GLU A 3 -2.625 16.726 -11.158 1.00 32.41 C ATOM 32 CD GLU A 3 -3.914 17.246 -10.552 1.00 30.12 C ATOM 33 OE1 GLU A 3 -4.911 16.492 -10.541 1.00 21.14 O ATOM 34 OE2 GLU A 3 -3.929 18.406 -10.090 1.00 51.31 O ATOM 0 H GLU A 3 -0.520 16.284 -12.598 1.00 52.11 H new ATOM 0 HA GLU A 3 0.642 16.714 -9.968 1.00 73.52 H new ATOM 0 HB2 GLU A 3 -1.637 17.387 -9.380 1.00 14.41 H new ATOM 0 HB3 GLU A 3 -1.111 18.203 -10.838 1.00 14.41 H new ATOM 0 HG2 GLU A 3 -2.573 17.026 -12.205 1.00 32.41 H new ATOM 0 HG3 GLU A 3 -2.632 15.636 -11.138 1.00 32.41 H new ATOM 39 N GLN A 4 -0.543 14.876 -8.586 1.00 63.22 N ATOM 40 CA GLN A 4 -0.862 13.642 -7.876 1.00 12.35 C ATOM 41 C GLN A 4 0.153 12.551 -8.201 1.00 24.53 C ATOM 42 O GLN A 4 0.070 11.903 -9.245 1.00 34.34 O ATOM 43 CB GLN A 4 -2.270 13.170 -8.240 1.00 41.33 C ATOM 44 CG GLN A 4 -3.272 13.311 -7.104 1.00 54.21 C ATOM 45 CD GLN A 4 -3.784 14.729 -6.952 1.00 41.23 C ATOM 46 OE1 GLN A 4 -3.224 15.527 -6.198 1.00 73.35 O ATOM 47 NE2 GLN A 4 -4.855 15.053 -7.668 1.00 23.12 N ATOM 0 H GLN A 4 -0.325 15.667 -7.980 1.00 63.22 H new ATOM 0 HA GLN A 4 -0.820 13.845 -6.806 1.00 12.35 H new ATOM 0 HB2 GLN A 4 -2.625 13.740 -9.099 1.00 41.33 H new ATOM 0 HB3 GLN A 4 -2.226 12.125 -8.547 1.00 41.33 H new ATOM 0 HG2 GLN A 4 -4.114 12.642 -7.282 1.00 54.21 H new ATOM 0 HG3 GLN A 4 -2.805 12.995 -6.171 1.00 54.21 H new ATOM 0 HE21 GLN A 4 -5.288 14.361 -8.280 1.00 23.12 H new ATOM 0 HE22 GLN A 4 -5.245 15.994 -7.606 1.00 23.12 H new ATOM 54 N ARG A 5 1.110 12.354 -7.300 1.00 24.24 N ATOM 55 CA ARG A 5 2.141 11.342 -7.491 1.00 44.30 C ATOM 56 C ARG A 5 1.779 10.052 -6.761 1.00 24.55 C ATOM 57 O ARG A 5 2.643 9.393 -6.182 1.00 51.44 O ATOM 58 CB ARG A 5 3.493 11.860 -6.994 1.00 4.14 C ATOM 59 CG ARG A 5 4.682 11.266 -7.733 1.00 0.41 C ATOM 60 CD ARG A 5 5.987 11.910 -7.293 1.00 24.14 C ATOM 61 NE ARG A 5 7.046 10.923 -7.103 1.00 54.10 N ATOM 62 CZ ARG A 5 8.227 11.207 -6.564 1.00 32.21 C ATOM 63 NH1 ARG A 5 8.498 12.442 -6.165 1.00 2.14 N ATOM 64 NH2 ARG A 5 9.140 10.254 -6.423 1.00 62.22 N ATOM 0 H ARG A 5 1.192 12.882 -6.431 1.00 24.24 H new ATOM 0 HA ARG A 5 2.211 11.128 -8.557 1.00 44.30 H new ATOM 0 HB2 ARG A 5 3.517 12.945 -7.097 1.00 4.14 H new ATOM 0 HB3 ARG A 5 3.589 11.638 -5.931 1.00 4.14 H new ATOM 0 HG2 ARG A 5 4.725 10.192 -7.552 1.00 0.41 H new ATOM 0 HG3 ARG A 5 4.551 11.403 -8.806 1.00 0.41 H new ATOM 0 HD2 ARG A 5 6.301 12.640 -8.039 1.00 24.14 H new ATOM 0 HD3 ARG A 5 5.827 12.454 -6.362 1.00 24.14 H new ATOM 0 HE ARG A 5 6.870 9.963 -7.400 1.00 54.10 H new ATOM 0 HH11 ARG A 5 7.799 13.177 -6.271 1.00 2.14 H new ATOM 0 HH12 ARG A 5 9.405 12.657 -5.752 1.00 2.14 H new ATOM 0 HH21 ARG A 5 8.935 9.303 -6.729 1.00 62.22 H new ATOM 0 HH22 ARG A 5 10.046 10.473 -6.009 1.00 62.22 H new ATOM 75 N GLN A 6 0.499 9.699 -6.793 1.00 43.01 N ATOM 76 CA GLN A 6 0.024 8.489 -6.133 1.00 41.20 C ATOM 77 C GLN A 6 0.444 8.467 -4.667 1.00 73.21 C ATOM 78 O GLN A 6 0.989 9.444 -4.153 1.00 30.24 O ATOM 79 CB GLN A 6 0.561 7.247 -6.848 1.00 64.51 C ATOM 80 CG GLN A 6 -0.495 6.183 -7.095 1.00 0.03 C ATOM 81 CD GLN A 6 0.092 4.789 -7.191 1.00 2.42 C ATOM 82 OE1 GLN A 6 0.995 4.430 -6.433 1.00 32.32 O ATOM 83 NE2 GLN A 6 -0.418 3.993 -8.123 1.00 71.04 N ATOM 0 H GLN A 6 -0.228 10.233 -7.269 1.00 43.01 H new ATOM 0 HA GLN A 6 -1.065 8.484 -6.180 1.00 41.20 H new ATOM 0 HB2 GLN A 6 0.994 7.546 -7.803 1.00 64.51 H new ATOM 0 HB3 GLN A 6 1.367 6.816 -6.254 1.00 64.51 H new ATOM 0 HG2 GLN A 6 -1.228 6.210 -6.288 1.00 0.03 H new ATOM 0 HG3 GLN A 6 -1.028 6.413 -8.018 1.00 0.03 H new ATOM 0 HE21 GLN A 6 -1.165 4.331 -8.729 1.00 71.04 H new ATOM 0 HE22 GLN A 6 -0.063 3.043 -8.233 1.00 71.04 H new ATOM 90 N CYS A 7 0.187 7.348 -4.000 1.00 60.03 N ATOM 91 CA CYS A 7 0.538 7.198 -2.593 1.00 74.31 C ATOM 92 C CYS A 7 1.928 6.589 -2.441 1.00 41.34 C ATOM 93 O CYS A 7 2.788 7.140 -1.752 1.00 64.53 O ATOM 94 CB CYS A 7 -0.495 6.324 -1.878 1.00 2.41 C ATOM 95 SG CYS A 7 -2.216 6.646 -2.378 1.00 33.30 S ATOM 0 H CYS A 7 -0.264 6.531 -4.411 1.00 60.03 H new ATOM 0 HA CYS A 7 0.543 8.189 -2.138 1.00 74.31 H new ATOM 0 HB2 CYS A 7 -0.263 5.276 -2.069 1.00 2.41 H new ATOM 0 HB3 CYS A 7 -0.405 6.480 -0.803 1.00 2.41 H new ATOM 99 N LYS A 8 2.144 5.449 -3.088 1.00 50.45 N ATOM 100 CA LYS A 8 3.429 4.764 -3.027 1.00 14.15 C ATOM 101 C LYS A 8 3.576 3.777 -4.181 1.00 2.44 C ATOM 102 O LYS A 8 2.986 2.697 -4.166 1.00 25.42 O ATOM 103 CB LYS A 8 3.577 4.030 -1.692 1.00 45.25 C ATOM 104 CG LYS A 8 4.161 4.891 -0.586 1.00 75.25 C ATOM 105 CD LYS A 8 3.103 5.290 0.428 1.00 73.21 C ATOM 106 CE LYS A 8 3.380 4.679 1.794 1.00 61.44 C ATOM 107 NZ LYS A 8 2.393 5.130 2.813 1.00 64.31 N ATOM 0 H LYS A 8 1.444 4.979 -3.662 1.00 50.45 H new ATOM 0 HA LYS A 8 4.216 5.514 -3.111 1.00 14.15 H new ATOM 0 HB2 LYS A 8 2.600 3.664 -1.378 1.00 45.25 H new ATOM 0 HB3 LYS A 8 4.213 3.157 -1.836 1.00 45.25 H new ATOM 0 HG2 LYS A 8 4.961 4.346 -0.084 1.00 75.25 H new ATOM 0 HG3 LYS A 8 4.608 5.786 -1.018 1.00 75.25 H new ATOM 0 HD2 LYS A 8 3.071 6.376 0.514 1.00 73.21 H new ATOM 0 HD3 LYS A 8 2.122 4.969 0.077 1.00 73.21 H new ATOM 0 HE2 LYS A 8 3.353 3.592 1.718 1.00 61.44 H new ATOM 0 HE3 LYS A 8 4.385 4.951 2.117 1.00 61.44 H new ATOM 0 HZ1 LYS A 8 2.700 4.818 3.756 1.00 64.31 H new ATOM 0 HZ2 LYS A 8 2.327 6.168 2.796 1.00 64.31 H new ATOM 0 HZ3 LYS A 8 1.461 4.720 2.599 1.00 64.31 H new ATOM 117 N LYS A 9 4.366 4.156 -5.181 1.00 61.20 N ATOM 118 CA LYS A 9 4.592 3.304 -6.341 1.00 45.51 C ATOM 119 C LYS A 9 5.658 2.253 -6.047 1.00 53.34 C ATOM 120 O LYS A 9 6.114 2.121 -4.910 1.00 41.01 O ATOM 121 CB LYS A 9 5.013 4.149 -7.545 1.00 23.31 C ATOM 122 CG LYS A 9 4.035 5.262 -7.880 1.00 74.25 C ATOM 123 CD LYS A 9 3.651 5.244 -9.350 1.00 43.40 C ATOM 124 CE LYS A 9 3.208 6.618 -9.828 1.00 12.14 C ATOM 125 NZ LYS A 9 3.116 6.686 -11.312 1.00 0.04 N ATOM 0 H LYS A 9 4.860 5.048 -5.210 1.00 61.20 H new ATOM 0 HA LYS A 9 3.657 2.792 -6.572 1.00 45.51 H new ATOM 0 HB2 LYS A 9 5.992 4.585 -7.348 1.00 23.31 H new ATOM 0 HB3 LYS A 9 5.122 3.499 -8.413 1.00 23.31 H new ATOM 0 HG2 LYS A 9 3.139 5.157 -7.268 1.00 74.25 H new ATOM 0 HG3 LYS A 9 4.480 6.225 -7.631 1.00 74.25 H new ATOM 0 HD2 LYS A 9 4.500 4.907 -9.945 1.00 43.40 H new ATOM 0 HD3 LYS A 9 2.846 4.526 -9.508 1.00 43.40 H new ATOM 0 HE2 LYS A 9 2.238 6.859 -9.393 1.00 12.14 H new ATOM 0 HE3 LYS A 9 3.912 7.370 -9.473 1.00 12.14 H new ATOM 0 HZ1 LYS A 9 2.811 7.638 -11.598 1.00 0.04 H new ATOM 0 HZ2 LYS A 9 4.047 6.481 -11.727 1.00 0.04 H new ATOM 0 HZ3 LYS A 9 2.425 5.986 -11.649 1.00 0.04 H new ATOM 135 N ILE A 10 6.052 1.511 -7.075 1.00 40.30 N ATOM 136 CA ILE A 10 7.068 0.475 -6.926 1.00 72.53 C ATOM 137 C ILE A 10 8.395 1.069 -6.467 1.00 23.42 C ATOM 138 O ILE A 10 8.969 1.924 -7.140 1.00 32.55 O ATOM 139 CB ILE A 10 7.287 -0.292 -8.243 1.00 11.12 C ATOM 140 CG1 ILE A 10 5.959 -0.844 -8.764 1.00 12.50 C ATOM 141 CG2 ILE A 10 8.293 -1.415 -8.039 1.00 24.13 C ATOM 142 CD1 ILE A 10 5.246 -1.736 -7.773 1.00 50.10 C ATOM 0 H ILE A 10 5.684 1.607 -8.021 1.00 40.30 H new ATOM 0 HA ILE A 10 6.703 -0.219 -6.169 1.00 72.53 H new ATOM 0 HB ILE A 10 7.687 0.397 -8.987 1.00 11.12 H new ATOM 0 HG12 ILE A 10 5.306 -0.011 -9.026 1.00 12.50 H new ATOM 0 HG13 ILE A 10 6.142 -1.406 -9.680 1.00 12.50 H new ATOM 0 HG21 ILE A 10 8.438 -1.949 -8.978 1.00 24.13 H new ATOM 0 HG22 ILE A 10 9.244 -0.996 -7.709 1.00 24.13 H new ATOM 0 HG23 ILE A 10 7.919 -2.106 -7.283 1.00 24.13 H new ATOM 0 HD11 ILE A 10 4.312 -2.091 -8.209 1.00 50.10 H new ATOM 0 HD12 ILE A 10 5.880 -2.588 -7.529 1.00 50.10 H new ATOM 0 HD13 ILE A 10 5.031 -1.172 -6.865 1.00 50.10 H new ATOM 153 N GLY A 11 8.879 0.607 -5.319 1.00 3.24 N ATOM 154 CA GLY A 11 10.136 1.102 -4.791 1.00 50.44 C ATOM 155 C GLY A 11 9.943 2.045 -3.620 1.00 32.53 C ATOM 156 O GLY A 11 10.910 2.587 -3.086 1.00 22.21 O ATOM 0 H GLY A 11 8.423 -0.102 -4.745 1.00 3.24 H new ATOM 0 HA2 GLY A 11 10.751 0.259 -4.477 1.00 50.44 H new ATOM 0 HA3 GLY A 11 10.681 1.617 -5.582 1.00 50.44 H new ATOM 160 N GLU A 12 8.691 2.241 -3.220 1.00 11.04 N ATOM 161 CA GLU A 12 8.374 3.128 -2.106 1.00 72.23 C ATOM 162 C GLU A 12 8.363 2.361 -0.788 1.00 10.32 C ATOM 163 O GLU A 12 8.515 1.139 -0.765 1.00 45.23 O ATOM 164 CB GLU A 12 7.018 3.801 -2.330 1.00 14.51 C ATOM 165 CG GLU A 12 7.008 4.777 -3.494 1.00 22.04 C ATOM 166 CD GLU A 12 8.292 5.576 -3.597 1.00 61.32 C ATOM 167 OE1 GLU A 12 9.003 5.426 -4.614 1.00 30.33 O ATOM 168 OE2 GLU A 12 8.586 6.351 -2.664 1.00 54.22 O ATOM 0 H GLU A 12 7.879 1.798 -3.650 1.00 11.04 H new ATOM 0 HA GLU A 12 9.147 3.895 -2.054 1.00 72.23 H new ATOM 0 HB2 GLU A 12 6.265 3.033 -2.505 1.00 14.51 H new ATOM 0 HB3 GLU A 12 6.730 4.329 -1.421 1.00 14.51 H new ATOM 0 HG2 GLU A 12 6.851 4.228 -4.422 1.00 22.04 H new ATOM 0 HG3 GLU A 12 6.167 5.461 -3.382 1.00 22.04 H new ATOM 173 N HIS A 13 8.184 3.088 0.311 1.00 34.15 N ATOM 174 CA HIS A 13 8.153 2.477 1.636 1.00 13.40 C ATOM 175 C HIS A 13 6.722 2.374 2.153 1.00 24.02 C ATOM 176 O HIS A 13 5.906 3.270 1.934 1.00 41.11 O ATOM 177 CB HIS A 13 9.004 3.287 2.613 1.00 24.43 C ATOM 178 CG HIS A 13 9.251 2.587 3.915 1.00 65.33 C ATOM 179 ND1 HIS A 13 8.429 2.730 5.014 1.00 41.43 N ATOM 180 CD2 HIS A 13 10.233 1.734 4.290 1.00 32.34 C ATOM 181 CE1 HIS A 13 8.895 1.996 6.008 1.00 21.35 C ATOM 182 NE2 HIS A 13 9.989 1.381 5.594 1.00 4.21 N ATOM 0 H HIS A 13 8.058 4.100 0.310 1.00 34.15 H new ATOM 0 HA HIS A 13 8.564 1.471 1.555 1.00 13.40 H new ATOM 0 HB2 HIS A 13 9.962 3.515 2.145 1.00 24.43 H new ATOM 0 HB3 HIS A 13 8.510 4.239 2.809 1.00 24.43 H new ATOM 0 HD2 HIS A 13 11.055 1.394 3.677 1.00 32.34 H new ATOM 0 HE1 HIS A 13 8.457 1.913 6.992 1.00 21.35 H new ATOM 0 HE2 HIS A 13 10.560 0.747 6.153 1.00 4.21 H new ATOM 189 N CYS A 14 6.423 1.276 2.839 1.00 31.41 N ATOM 190 CA CYS A 14 5.090 1.055 3.387 1.00 10.24 C ATOM 191 C CYS A 14 5.096 -0.105 4.378 1.00 50.24 C ATOM 192 O CYS A 14 5.835 -1.075 4.212 1.00 1.54 O ATOM 193 CB CYS A 14 4.094 0.773 2.261 1.00 4.14 C ATOM 194 SG CYS A 14 4.671 -0.457 1.047 1.00 62.05 S ATOM 0 H CYS A 14 7.086 0.525 3.029 1.00 31.41 H new ATOM 0 HA CYS A 14 4.786 1.959 3.914 1.00 10.24 H new ATOM 0 HB2 CYS A 14 3.158 0.425 2.697 1.00 4.14 H new ATOM 0 HB3 CYS A 14 3.876 1.706 1.741 1.00 4.14 H new ATOM 198 N TYR A 15 4.266 0.003 5.411 1.00 63.22 N ATOM 199 CA TYR A 15 4.177 -1.036 6.431 1.00 52.43 C ATOM 200 C TYR A 15 3.154 -2.097 6.039 1.00 65.00 C ATOM 201 O TYR A 15 3.314 -3.277 6.354 1.00 64.51 O ATOM 202 CB TYR A 15 3.799 -0.422 7.780 1.00 54.43 C ATOM 203 CG TYR A 15 4.848 0.518 8.333 1.00 71.20 C ATOM 204 CD1 TYR A 15 4.754 1.888 8.132 1.00 24.45 C ATOM 205 CD2 TYR A 15 5.932 0.034 9.054 1.00 52.01 C ATOM 206 CE1 TYR A 15 5.709 2.751 8.634 1.00 55.55 C ATOM 207 CE2 TYR A 15 6.891 0.888 9.561 1.00 75.04 C ATOM 208 CZ TYR A 15 6.776 2.246 9.348 1.00 34.32 C ATOM 209 OH TYR A 15 7.730 3.101 9.850 1.00 52.33 O ATOM 0 H TYR A 15 3.646 0.799 5.564 1.00 63.22 H new ATOM 0 HA TYR A 15 5.154 -1.512 6.516 1.00 52.43 H new ATOM 0 HB2 TYR A 15 2.859 0.119 7.673 1.00 54.43 H new ATOM 0 HB3 TYR A 15 3.626 -1.223 8.499 1.00 54.43 H new ATOM 0 HD1 TYR A 15 3.920 2.286 7.573 1.00 24.45 H new ATOM 0 HD2 TYR A 15 6.026 -1.029 9.221 1.00 52.01 H new ATOM 0 HE1 TYR A 15 5.621 3.815 8.468 1.00 55.55 H new ATOM 0 HE2 TYR A 15 7.727 0.495 10.121 1.00 75.04 H new ATOM 0 HH TYR A 15 8.412 2.585 10.328 1.00 52.33 H new ATOM 218 N VAL A 16 2.102 -1.670 5.347 1.00 5.31 N ATOM 219 CA VAL A 16 1.053 -2.584 4.909 1.00 50.32 C ATOM 220 C VAL A 16 0.674 -2.328 3.454 1.00 14.41 C ATOM 221 O VAL A 16 1.178 -1.398 2.825 1.00 52.01 O ATOM 222 CB VAL A 16 -0.206 -2.453 5.786 1.00 40.21 C ATOM 223 CG1 VAL A 16 0.061 -2.982 7.187 1.00 22.04 C ATOM 224 CG2 VAL A 16 -0.674 -1.007 5.834 1.00 52.25 C ATOM 0 H VAL A 16 1.954 -0.697 5.078 1.00 5.31 H new ATOM 0 HA VAL A 16 1.451 -3.594 5.006 1.00 50.32 H new ATOM 0 HB VAL A 16 -1.000 -3.053 5.342 1.00 40.21 H new ATOM 0 HG11 VAL A 16 -0.840 -2.881 7.792 1.00 22.04 H new ATOM 0 HG12 VAL A 16 0.345 -4.033 7.131 1.00 22.04 H new ATOM 0 HG13 VAL A 16 0.870 -2.412 7.643 1.00 22.04 H new ATOM 0 HG21 VAL A 16 -1.565 -0.933 6.458 1.00 52.25 H new ATOM 0 HG22 VAL A 16 0.115 -0.383 6.253 1.00 52.25 H new ATOM 0 HG23 VAL A 16 -0.909 -0.667 4.825 1.00 52.25 H new ATOM 234 N ALA A 17 -0.216 -3.160 2.925 1.00 54.22 N ATOM 235 CA ALA A 17 -0.666 -3.023 1.546 1.00 71.23 C ATOM 236 C ALA A 17 -1.509 -1.766 1.365 1.00 11.43 C ATOM 237 O ALA A 17 -1.355 -1.039 0.383 1.00 13.55 O ATOM 238 CB ALA A 17 -1.452 -4.255 1.121 1.00 54.11 C ATOM 0 H ALA A 17 -0.640 -3.937 3.431 1.00 54.22 H new ATOM 0 HA ALA A 17 0.215 -2.932 0.911 1.00 71.23 H new ATOM 0 HB1 ALA A 17 -1.782 -4.138 0.089 1.00 54.11 H new ATOM 0 HB2 ALA A 17 -0.817 -5.137 1.201 1.00 54.11 H new ATOM 0 HB3 ALA A 17 -2.321 -4.373 1.768 1.00 54.11 H new ATOM 244 N ASP A 18 -2.401 -1.516 2.317 1.00 11.15 N ATOM 245 CA ASP A 18 -3.270 -0.346 2.262 1.00 13.30 C ATOM 246 C ASP A 18 -2.451 0.932 2.118 1.00 11.20 C ATOM 247 O ASP A 18 -2.881 1.886 1.469 1.00 54.21 O ATOM 248 CB ASP A 18 -4.138 -0.270 3.519 1.00 72.23 C ATOM 249 CG ASP A 18 -5.594 -0.586 3.237 1.00 15.13 C ATOM 250 OD1 ASP A 18 -6.263 0.238 2.580 1.00 43.33 O ATOM 251 OD2 ASP A 18 -6.064 -1.657 3.674 1.00 72.10 O ATOM 0 H ASP A 18 -2.541 -2.108 3.136 1.00 11.15 H new ATOM 0 HA ASP A 18 -3.915 -0.444 1.389 1.00 13.30 H new ATOM 0 HB2 ASP A 18 -3.755 -0.968 4.264 1.00 72.23 H new ATOM 0 HB3 ASP A 18 -4.063 0.729 3.949 1.00 72.23 H new ATOM 255 N GLU A 19 -1.269 0.944 2.727 1.00 44.21 N ATOM 256 CA GLU A 19 -0.392 2.108 2.666 1.00 70.24 C ATOM 257 C GLU A 19 0.024 2.402 1.226 1.00 54.23 C ATOM 258 O GLU A 19 0.237 3.556 0.854 1.00 72.44 O ATOM 259 CB GLU A 19 0.851 1.882 3.530 1.00 3.45 C ATOM 260 CG GLU A 19 0.611 2.116 5.012 1.00 23.14 C ATOM 261 CD GLU A 19 1.196 3.428 5.498 1.00 31.23 C ATOM 262 OE1 GLU A 19 2.371 3.431 5.923 1.00 34.31 O ATOM 263 OE2 GLU A 19 0.481 4.451 5.454 1.00 21.53 O ATOM 0 H GLU A 19 -0.897 0.163 3.267 1.00 44.21 H new ATOM 0 HA GLU A 19 -0.943 2.967 3.050 1.00 70.24 H new ATOM 0 HB2 GLU A 19 1.204 0.861 3.384 1.00 3.45 H new ATOM 0 HB3 GLU A 19 1.646 2.546 3.190 1.00 3.45 H new ATOM 0 HG2 GLU A 19 -0.461 2.106 5.209 1.00 23.14 H new ATOM 0 HG3 GLU A 19 1.047 1.295 5.581 1.00 23.14 H new ATOM 268 N CYS A 20 0.135 1.349 0.423 1.00 12.33 N ATOM 269 CA CYS A 20 0.525 1.492 -0.974 1.00 35.21 C ATOM 270 C CYS A 20 -0.701 1.665 -1.866 1.00 41.05 C ATOM 271 O CYS A 20 -1.634 0.863 -1.821 1.00 32.13 O ATOM 272 CB CYS A 20 1.332 0.274 -1.428 1.00 53.00 C ATOM 273 SG CYS A 20 3.046 0.655 -1.913 1.00 4.22 S ATOM 0 H CYS A 20 -0.040 0.388 0.716 1.00 12.33 H new ATOM 0 HA CYS A 20 1.146 2.384 -1.062 1.00 35.21 H new ATOM 0 HB2 CYS A 20 1.349 -0.459 -0.621 1.00 53.00 H new ATOM 0 HB3 CYS A 20 0.822 -0.192 -2.271 1.00 53.00 H new ATOM 277 N CYS A 21 -0.692 2.718 -2.678 1.00 12.50 N ATOM 278 CA CYS A 21 -1.801 2.998 -3.581 1.00 4.44 C ATOM 279 C CYS A 21 -2.018 1.841 -4.552 1.00 32.03 C ATOM 280 O CYS A 21 -3.136 1.599 -5.006 1.00 13.43 O ATOM 281 CB CYS A 21 -1.540 4.288 -4.359 1.00 22.10 C ATOM 282 SG CYS A 21 -2.728 5.624 -4.005 1.00 13.22 S ATOM 0 H CYS A 21 0.072 3.391 -2.728 1.00 12.50 H new ATOM 0 HA CYS A 21 -2.703 3.120 -2.981 1.00 4.44 H new ATOM 0 HB2 CYS A 21 -0.534 4.641 -4.130 1.00 22.10 H new ATOM 0 HB3 CYS A 21 -1.565 4.067 -5.426 1.00 22.10 H new ATOM 286 N SER A 22 -0.940 1.128 -4.863 1.00 34.32 N ATOM 287 CA SER A 22 -1.011 -0.003 -5.783 1.00 4.02 C ATOM 288 C SER A 22 -1.444 -1.270 -5.053 1.00 60.11 C ATOM 289 O SER A 22 -1.853 -2.251 -5.675 1.00 73.30 O ATOM 290 CB SER A 22 0.345 -0.225 -6.456 1.00 64.11 C ATOM 291 OG SER A 22 0.424 -1.519 -7.027 1.00 30.25 O ATOM 0 H SER A 22 -0.008 1.313 -4.492 1.00 34.32 H new ATOM 0 HA SER A 22 -1.754 0.227 -6.547 1.00 4.02 H new ATOM 0 HB2 SER A 22 0.498 0.527 -7.230 1.00 64.11 H new ATOM 0 HB3 SER A 22 1.143 -0.097 -5.725 1.00 64.11 H new ATOM 0 HG SER A 22 1.299 -1.636 -7.452 1.00 30.25 H new ATOM 296 N LYS A 23 -1.350 -1.243 -3.728 1.00 41.13 N ATOM 297 CA LYS A 23 -1.732 -2.389 -2.910 1.00 41.04 C ATOM 298 C LYS A 23 -0.823 -3.582 -3.186 1.00 44.22 C ATOM 299 O LYS A 23 -1.295 -4.706 -3.364 1.00 31.24 O ATOM 300 CB LYS A 23 -3.189 -2.770 -3.180 1.00 71.41 C ATOM 301 CG LYS A 23 -4.153 -1.601 -3.082 1.00 25.51 C ATOM 302 CD LYS A 23 -5.088 -1.747 -1.893 1.00 62.54 C ATOM 303 CE LYS A 23 -6.190 -0.700 -1.919 1.00 63.21 C ATOM 304 NZ LYS A 23 -6.971 -0.684 -0.651 1.00 71.15 N ATOM 0 H LYS A 23 -1.013 -0.440 -3.197 1.00 41.13 H new ATOM 0 HA LYS A 23 -1.624 -2.109 -1.862 1.00 41.04 H new ATOM 0 HB2 LYS A 23 -3.262 -3.208 -4.176 1.00 71.41 H new ATOM 0 HB3 LYS A 23 -3.492 -3.540 -2.470 1.00 71.41 H new ATOM 0 HG2 LYS A 23 -3.591 -0.671 -2.992 1.00 25.51 H new ATOM 0 HG3 LYS A 23 -4.738 -1.532 -3.999 1.00 25.51 H new ATOM 0 HD2 LYS A 23 -5.531 -2.743 -1.897 1.00 62.54 H new ATOM 0 HD3 LYS A 23 -4.519 -1.655 -0.968 1.00 62.54 H new ATOM 0 HE2 LYS A 23 -5.752 0.284 -2.088 1.00 63.21 H new ATOM 0 HE3 LYS A 23 -6.860 -0.899 -2.756 1.00 63.21 H new ATOM 0 HZ1 LYS A 23 -7.712 0.043 -0.709 1.00 71.15 H new ATOM 0 HZ2 LYS A 23 -7.410 -1.615 -0.502 1.00 71.15 H new ATOM 0 HZ3 LYS A 23 -6.337 -0.469 0.145 1.00 71.15 H new ATOM 314 N ARG A 24 0.482 -3.331 -3.219 1.00 21.34 N ATOM 315 CA ARG A 24 1.457 -4.386 -3.473 1.00 21.41 C ATOM 316 C ARG A 24 2.564 -4.366 -2.425 1.00 0.40 C ATOM 317 O ARG A 24 3.715 -4.693 -2.715 1.00 5.40 O ATOM 318 CB ARG A 24 2.059 -4.226 -4.870 1.00 31.31 C ATOM 319 CG ARG A 24 1.460 -5.167 -5.903 1.00 1.11 C ATOM 320 CD ARG A 24 1.701 -6.623 -5.537 1.00 22.03 C ATOM 321 NE ARG A 24 0.475 -7.290 -5.110 1.00 72.42 N ATOM 322 CZ ARG A 24 -0.516 -7.605 -5.937 1.00 51.15 C ATOM 323 NH1 ARG A 24 -0.424 -7.316 -7.227 1.00 0.15 N ATOM 324 NH2 ARG A 24 -1.601 -8.212 -5.472 1.00 2.41 N ATOM 0 H ARG A 24 0.889 -2.407 -3.073 1.00 21.34 H new ATOM 0 HA ARG A 24 0.942 -5.345 -3.414 1.00 21.41 H new ATOM 0 HB2 ARG A 24 1.917 -3.198 -5.202 1.00 31.31 H new ATOM 0 HB3 ARG A 24 3.134 -4.397 -4.815 1.00 31.31 H new ATOM 0 HG2 ARG A 24 0.389 -4.984 -5.985 1.00 1.11 H new ATOM 0 HG3 ARG A 24 1.895 -4.960 -6.881 1.00 1.11 H new ATOM 0 HD2 ARG A 24 2.119 -7.148 -6.396 1.00 22.03 H new ATOM 0 HD3 ARG A 24 2.441 -6.678 -4.738 1.00 22.03 H new ATOM 0 HE ARG A 24 0.374 -7.527 -4.123 1.00 72.42 H new ATOM 0 HH11 ARG A 24 0.409 -6.851 -7.587 1.00 0.15 H new ATOM 0 HH12 ARG A 24 -1.186 -7.559 -7.860 1.00 0.15 H new ATOM 0 HH21 ARG A 24 -1.674 -8.437 -4.480 1.00 2.41 H new ATOM 0 HH22 ARG A 24 -2.362 -8.454 -6.107 1.00 2.41 H new ATOM 335 N CYS A 25 2.209 -3.982 -1.203 1.00 43.43 N ATOM 336 CA CYS A 25 3.172 -3.919 -0.110 1.00 42.23 C ATOM 337 C CYS A 25 3.269 -5.262 0.606 1.00 34.23 C ATOM 338 O CYS A 25 2.306 -6.029 0.646 1.00 13.14 O ATOM 339 CB CYS A 25 2.775 -2.825 0.884 1.00 20.11 C ATOM 340 SG CYS A 25 4.165 -2.167 1.859 1.00 35.53 S ATOM 0 H CYS A 25 1.261 -3.710 -0.945 1.00 43.43 H new ATOM 0 HA CYS A 25 4.149 -3.681 -0.531 1.00 42.23 H new ATOM 0 HB2 CYS A 25 2.308 -2.005 0.338 1.00 20.11 H new ATOM 0 HB3 CYS A 25 2.023 -3.224 1.566 1.00 20.11 H new ATOM 344 N LEU A 26 4.438 -5.541 1.172 1.00 72.20 N ATOM 345 CA LEU A 26 4.663 -6.791 1.888 1.00 55.12 C ATOM 346 C LEU A 26 5.331 -6.535 3.236 1.00 43.12 C ATOM 347 O LEU A 26 6.068 -5.563 3.400 1.00 44.04 O ATOM 348 CB LEU A 26 5.528 -7.735 1.049 1.00 32.20 C ATOM 349 CG LEU A 26 5.596 -9.185 1.527 1.00 51.14 C ATOM 350 CD1 LEU A 26 4.356 -9.951 1.091 1.00 41.23 C ATOM 351 CD2 LEU A 26 6.854 -9.861 1.002 1.00 33.40 C ATOM 0 H LEU A 26 5.245 -4.918 1.149 1.00 72.20 H new ATOM 0 HA LEU A 26 3.694 -7.257 2.066 1.00 55.12 H new ATOM 0 HB2 LEU A 26 5.151 -7.728 0.026 1.00 32.20 H new ATOM 0 HB3 LEU A 26 6.542 -7.336 1.018 1.00 32.20 H new ATOM 0 HG LEU A 26 5.634 -9.186 2.616 1.00 51.14 H new ATOM 0 HD11 LEU A 26 4.423 -10.981 1.441 1.00 41.23 H new ATOM 0 HD12 LEU A 26 3.469 -9.480 1.516 1.00 41.23 H new ATOM 0 HD13 LEU A 26 4.286 -9.941 0.003 1.00 41.23 H new ATOM 0 HD21 LEU A 26 6.886 -10.893 1.352 1.00 33.40 H new ATOM 0 HD22 LEU A 26 6.846 -9.848 -0.088 1.00 33.40 H new ATOM 0 HD23 LEU A 26 7.732 -9.327 1.365 1.00 33.40 H new ATOM 362 N PHE A 27 5.068 -7.415 4.197 1.00 74.42 N ATOM 363 CA PHE A 27 5.644 -7.284 5.531 1.00 12.34 C ATOM 364 C PHE A 27 7.156 -7.492 5.492 1.00 21.32 C ATOM 365 O PHE A 27 7.892 -6.925 6.300 1.00 65.24 O ATOM 366 CB PHE A 27 5.003 -8.292 6.487 1.00 52.45 C ATOM 367 CG PHE A 27 3.669 -7.850 7.016 1.00 34.22 C ATOM 368 CD1 PHE A 27 2.624 -7.569 6.150 1.00 21.20 C ATOM 369 CD2 PHE A 27 3.459 -7.716 8.379 1.00 13.42 C ATOM 370 CE1 PHE A 27 1.395 -7.164 6.633 1.00 44.41 C ATOM 371 CE2 PHE A 27 2.232 -7.311 8.868 1.00 22.04 C ATOM 372 CZ PHE A 27 1.199 -7.033 7.994 1.00 55.32 C ATOM 0 H PHE A 27 4.461 -8.226 4.077 1.00 74.42 H new ATOM 0 HA PHE A 27 5.443 -6.275 5.890 1.00 12.34 H new ATOM 0 HB2 PHE A 27 4.883 -9.245 5.971 1.00 52.45 H new ATOM 0 HB3 PHE A 27 5.678 -8.466 7.325 1.00 52.45 H new ATOM 0 HD1 PHE A 27 2.772 -7.668 5.085 1.00 21.20 H new ATOM 0 HD2 PHE A 27 4.264 -7.931 9.067 1.00 13.42 H new ATOM 0 HE1 PHE A 27 0.588 -6.950 5.947 1.00 44.41 H new ATOM 0 HE2 PHE A 27 2.081 -7.212 9.933 1.00 22.04 H new ATOM 0 HZ PHE A 27 0.240 -6.714 8.374 1.00 55.32 H new ATOM 381 N TYR A 28 7.611 -8.309 4.549 1.00 24.15 N ATOM 382 CA TYR A 28 9.033 -8.596 4.406 1.00 42.22 C ATOM 383 C TYR A 28 9.714 -7.551 3.530 1.00 64.32 C ATOM 384 O TYR A 28 10.739 -6.983 3.904 1.00 52.42 O ATOM 385 CB TYR A 28 9.237 -9.990 3.809 1.00 43.05 C ATOM 386 CG TYR A 28 8.746 -11.108 4.701 1.00 43.42 C ATOM 387 CD1 TYR A 28 7.466 -11.627 4.556 1.00 4.24 C ATOM 388 CD2 TYR A 28 9.562 -11.645 5.689 1.00 65.43 C ATOM 389 CE1 TYR A 28 7.012 -12.649 5.368 1.00 31.12 C ATOM 390 CE2 TYR A 28 9.119 -12.668 6.504 1.00 14.24 C ATOM 391 CZ TYR A 28 7.843 -13.165 6.341 1.00 71.23 C ATOM 392 OH TYR A 28 7.396 -14.183 7.153 1.00 4.41 O ATOM 0 H TYR A 28 7.015 -8.785 3.872 1.00 24.15 H new ATOM 0 HA TYR A 28 9.485 -8.563 5.397 1.00 42.22 H new ATOM 0 HB2 TYR A 28 8.718 -10.046 2.852 1.00 43.05 H new ATOM 0 HB3 TYR A 28 10.298 -10.138 3.606 1.00 43.05 H new ATOM 0 HD1 TYR A 28 6.814 -11.225 3.795 1.00 4.24 H new ATOM 0 HD2 TYR A 28 10.560 -11.255 5.822 1.00 65.43 H new ATOM 0 HE1 TYR A 28 6.014 -13.041 5.242 1.00 31.12 H new ATOM 0 HE2 TYR A 28 9.768 -13.076 7.265 1.00 14.24 H new ATOM 0 HH TYR A 28 8.103 -14.433 7.784 1.00 4.41 H new ATOM 401 N ALA A 29 9.135 -7.301 2.360 1.00 61.12 N ATOM 402 CA ALA A 29 9.683 -6.321 1.429 1.00 21.34 C ATOM 403 C ALA A 29 9.552 -4.907 1.982 1.00 24.31 C ATOM 404 O ALA A 29 10.465 -4.092 1.851 1.00 43.14 O ATOM 405 CB ALA A 29 8.989 -6.430 0.080 1.00 2.14 C ATOM 0 H ALA A 29 8.286 -7.764 2.034 1.00 61.12 H new ATOM 0 HA ALA A 29 10.744 -6.534 1.297 1.00 21.34 H new ATOM 0 HB1 ALA A 29 9.408 -5.693 -0.605 1.00 2.14 H new ATOM 0 HB2 ALA A 29 9.139 -7.430 -0.327 1.00 2.14 H new ATOM 0 HB3 ALA A 29 7.922 -6.245 0.204 1.00 2.14 H new ATOM 411 N ALA A 30 8.411 -4.619 2.599 1.00 71.15 N ATOM 412 CA ALA A 30 8.161 -3.303 3.173 1.00 3.03 C ATOM 413 C ALA A 30 8.166 -2.225 2.095 1.00 12.05 C ATOM 414 O ALA A 30 8.162 -1.031 2.395 1.00 32.52 O ATOM 415 CB ALA A 30 9.198 -2.988 4.242 1.00 72.24 C ATOM 0 H ALA A 30 7.644 -5.281 2.714 1.00 71.15 H new ATOM 0 HA ALA A 30 7.173 -3.316 3.633 1.00 3.03 H new ATOM 0 HB1 ALA A 30 8.999 -2.002 4.662 1.00 72.24 H new ATOM 0 HB2 ALA A 30 9.145 -3.737 5.032 1.00 72.24 H new ATOM 0 HB3 ALA A 30 10.193 -2.999 3.798 1.00 72.24 H new ATOM 421 N LYS A 31 8.175 -2.653 0.837 1.00 34.24 N ATOM 422 CA LYS A 31 8.179 -1.725 -0.288 1.00 22.22 C ATOM 423 C LYS A 31 7.302 -2.242 -1.424 1.00 22.40 C ATOM 424 O LYS A 31 7.294 -3.437 -1.722 1.00 1.32 O ATOM 425 CB LYS A 31 9.608 -1.509 -0.791 1.00 4.22 C ATOM 426 CG LYS A 31 9.678 -0.979 -2.213 1.00 12.42 C ATOM 427 CD LYS A 31 9.820 -2.107 -3.222 1.00 61.02 C ATOM 428 CE LYS A 31 11.254 -2.608 -3.299 1.00 62.44 C ATOM 429 NZ LYS A 31 11.392 -3.752 -4.242 1.00 3.33 N ATOM 0 H LYS A 31 8.180 -3.638 0.571 1.00 34.24 H new ATOM 0 HA LYS A 31 7.773 -0.774 0.056 1.00 22.22 H new ATOM 0 HB2 LYS A 31 10.117 -0.811 -0.126 1.00 4.22 H new ATOM 0 HB3 LYS A 31 10.150 -2.453 -0.737 1.00 4.22 H new ATOM 0 HG2 LYS A 31 8.778 -0.404 -2.433 1.00 12.42 H new ATOM 0 HG3 LYS A 31 10.523 -0.297 -2.307 1.00 12.42 H new ATOM 0 HD2 LYS A 31 9.160 -2.929 -2.945 1.00 61.02 H new ATOM 0 HD3 LYS A 31 9.501 -1.760 -4.205 1.00 61.02 H new ATOM 0 HE2 LYS A 31 11.906 -1.795 -3.617 1.00 62.44 H new ATOM 0 HE3 LYS A 31 11.586 -2.913 -2.307 1.00 62.44 H new ATOM 0 HZ1 LYS A 31 12.361 -3.775 -4.620 1.00 3.33 H new ATOM 0 HZ2 LYS A 31 11.195 -4.641 -3.740 1.00 3.33 H new ATOM 0 HZ3 LYS A 31 10.717 -3.640 -5.025 1.00 3.33 H new ATOM 439 N CYS A 32 6.565 -1.335 -2.056 1.00 14.43 N ATOM 440 CA CYS A 32 5.685 -1.699 -3.160 1.00 55.04 C ATOM 441 C CYS A 32 6.440 -2.497 -4.217 1.00 42.15 C ATOM 442 O CYS A 32 7.340 -1.978 -4.878 1.00 65.14 O ATOM 443 CB CYS A 32 5.077 -0.443 -3.790 1.00 44.43 C ATOM 444 SG CYS A 32 3.267 -0.331 -3.627 1.00 21.24 S ATOM 0 H CYS A 32 6.560 -0.342 -1.822 1.00 14.43 H new ATOM 0 HA CYS A 32 4.884 -2.323 -2.763 1.00 55.04 H new ATOM 0 HB2 CYS A 32 5.528 0.436 -3.329 1.00 44.43 H new ATOM 0 HB3 CYS A 32 5.338 -0.417 -4.848 1.00 44.43 H new ATOM 448 N VAL A 33 6.068 -3.764 -4.373 1.00 0.54 N ATOM 449 CA VAL A 33 6.709 -4.635 -5.351 1.00 35.11 C ATOM 450 C VAL A 33 5.715 -5.097 -6.410 1.00 1.55 C ATOM 451 O VAL A 33 4.605 -5.524 -6.091 1.00 55.23 O ATOM 452 CB VAL A 33 7.334 -5.870 -4.677 1.00 31.33 C ATOM 453 CG1 VAL A 33 8.687 -5.522 -4.074 1.00 71.52 C ATOM 454 CG2 VAL A 33 6.398 -6.432 -3.617 1.00 3.21 C ATOM 0 H VAL A 33 5.326 -4.210 -3.834 1.00 0.54 H new ATOM 0 HA VAL A 33 7.497 -4.051 -5.826 1.00 35.11 H new ATOM 0 HB VAL A 33 7.487 -6.637 -5.436 1.00 31.33 H new ATOM 0 HG11 VAL A 33 9.114 -6.407 -3.602 1.00 71.52 H new ATOM 0 HG12 VAL A 33 9.356 -5.172 -4.860 1.00 71.52 H new ATOM 0 HG13 VAL A 33 8.562 -4.738 -3.328 1.00 71.52 H new ATOM 0 HG21 VAL A 33 6.857 -7.304 -3.152 1.00 3.21 H new ATOM 0 HG22 VAL A 33 6.210 -5.673 -2.858 1.00 3.21 H new ATOM 0 HG23 VAL A 33 5.455 -6.722 -4.081 1.00 3.21 H new ATOM 464 N SER A 34 6.120 -5.008 -7.673 1.00 34.41 N ATOM 465 CA SER A 34 5.264 -5.413 -8.782 1.00 1.31 C ATOM 466 C SER A 34 4.765 -6.843 -8.588 1.00 14.03 C ATOM 467 O SER A 34 5.540 -7.743 -8.271 1.00 14.13 O ATOM 468 CB SER A 34 6.020 -5.300 -10.106 1.00 75.31 C ATOM 469 OG SER A 34 5.466 -6.162 -11.084 1.00 52.24 O ATOM 0 H SER A 34 7.036 -4.659 -7.954 1.00 34.41 H new ATOM 0 HA SER A 34 4.403 -4.745 -8.807 1.00 1.31 H new ATOM 0 HB2 SER A 34 5.984 -4.270 -10.462 1.00 75.31 H new ATOM 0 HB3 SER A 34 7.070 -5.548 -9.951 1.00 75.31 H new ATOM 0 HG SER A 34 5.966 -6.070 -11.922 1.00 52.24 H new TER 474 SER A 34