USER MOD reduce.3.24.130724 H: found=0, std=0, add=258, rem=0, adj=7 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+ -134:sc= 0.383 (180deg=0.000632) USER MOD Single : A 1 SER OG : rot 180:sc= 0.164 USER MOD Single : A 2 GLN : amide:sc= -0.0532 X(o=-0.053,f=-0.22) USER MOD Single : A 4 GLN : amide:sc= -0.186 X(o=-0.19,f=-0.41) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=-0.0056) USER MOD Single : A 8 LYS NZ :NH3+ -107:sc= 0.696 (180deg=-0.23) 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=-0.036) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -14.329 13.014 -5.458 1.00 20.23 N ATOM 2 CA SER A 1 -14.081 14.014 -6.490 1.00 22.42 C ATOM 3 C SER A 1 -12.734 13.777 -7.166 1.00 24.24 C ATOM 4 O SER A 1 -11.737 14.410 -6.823 1.00 74.52 O ATOM 5 CB SER A 1 -14.122 15.420 -5.888 1.00 70.21 C ATOM 6 OG SER A 1 -13.830 15.390 -4.501 1.00 65.24 O ATOM 0 H1 SER A 1 -15.300 12.653 -5.551 1.00 20.23 H new ATOM 0 H2 SER A 1 -13.656 12.229 -5.566 1.00 20.23 H new ATOM 0 H3 SER A 1 -14.209 13.446 -4.520 1.00 20.23 H new ATOM 0 HA SER A 1 -14.865 13.925 -7.242 1.00 22.42 H new ATOM 0 HB2 SER A 1 -13.403 16.059 -6.400 1.00 70.21 H new ATOM 0 HB3 SER A 1 -15.108 15.858 -6.046 1.00 70.21 H new ATOM 0 HG SER A 1 -13.861 16.301 -4.140 1.00 65.24 H new ATOM 11 N GLN A 2 -12.716 12.860 -8.128 1.00 45.43 N ATOM 12 CA GLN A 2 -11.491 12.537 -8.852 1.00 14.41 C ATOM 13 C GLN A 2 -10.393 12.090 -7.892 1.00 33.32 C ATOM 14 O GLN A 2 -10.610 12.004 -6.684 1.00 3.31 O ATOM 15 CB GLN A 2 -11.017 13.748 -9.658 1.00 32.44 C ATOM 16 CG GLN A 2 -11.028 13.518 -11.161 1.00 25.24 C ATOM 17 CD GLN A 2 -12.044 14.387 -11.876 1.00 25.03 C ATOM 18 OE1 GLN A 2 -12.142 15.587 -11.620 1.00 53.12 O ATOM 19 NE2 GLN A 2 -12.809 13.783 -12.779 1.00 63.52 N ATOM 0 H GLN A 2 -13.534 12.328 -8.424 1.00 45.43 H new ATOM 0 HA GLN A 2 -11.708 11.716 -9.535 1.00 14.41 H new ATOM 0 HB2 GLN A 2 -11.653 14.602 -9.424 1.00 32.44 H new ATOM 0 HB3 GLN A 2 -10.006 14.009 -9.346 1.00 32.44 H new ATOM 0 HG2 GLN A 2 -10.035 13.720 -11.563 1.00 25.24 H new ATOM 0 HG3 GLN A 2 -11.246 12.469 -11.363 1.00 25.24 H new ATOM 0 HE21 GLN A 2 -12.694 12.786 -12.960 1.00 63.52 H new ATOM 0 HE22 GLN A 2 -13.511 14.317 -13.291 1.00 63.52 H new ATOM 26 N GLU A 3 -9.216 11.805 -8.439 1.00 52.11 N ATOM 27 CA GLU A 3 -8.085 11.365 -7.631 1.00 73.52 C ATOM 28 C GLU A 3 -6.778 11.494 -8.407 1.00 72.20 C ATOM 29 O GLU A 3 -6.660 11.003 -9.529 1.00 62.44 O ATOM 30 CB GLU A 3 -8.283 9.915 -7.182 1.00 14.41 C ATOM 31 CG GLU A 3 -8.411 8.934 -8.335 1.00 32.41 C ATOM 32 CD GLU A 3 -9.686 8.115 -8.266 1.00 30.12 C ATOM 33 OE1 GLU A 3 -10.743 8.628 -8.691 1.00 21.14 O ATOM 34 OE2 GLU A 3 -9.627 6.963 -7.788 1.00 51.31 O ATOM 0 H GLU A 3 -9.021 11.871 -9.438 1.00 52.11 H new ATOM 0 HA GLU A 3 -8.030 12.006 -6.751 1.00 73.52 H new ATOM 0 HB2 GLU A 3 -7.441 9.619 -6.556 1.00 14.41 H new ATOM 0 HB3 GLU A 3 -9.178 9.854 -6.563 1.00 14.41 H new ATOM 0 HG2 GLU A 3 -8.386 9.481 -9.277 1.00 32.41 H new ATOM 0 HG3 GLU A 3 -7.552 8.263 -8.333 1.00 32.41 H new ATOM 39 N GLN A 4 -5.800 12.160 -7.800 1.00 63.22 N ATOM 40 CA GLN A 4 -4.501 12.355 -8.435 1.00 12.35 C ATOM 41 C GLN A 4 -3.370 12.135 -7.438 1.00 24.53 C ATOM 42 O GLN A 4 -3.603 12.016 -6.235 1.00 34.34 O ATOM 43 CB GLN A 4 -4.408 13.761 -9.030 1.00 41.33 C ATOM 44 CG GLN A 4 -4.665 13.806 -10.528 1.00 54.21 C ATOM 45 CD GLN A 4 -6.131 14.002 -10.861 1.00 41.23 C ATOM 46 OE1 GLN A 4 -6.831 13.055 -11.215 1.00 73.35 O ATOM 47 NE2 GLN A 4 -6.603 15.238 -10.751 1.00 23.12 N ATOM 0 H GLN A 4 -5.882 12.573 -6.871 1.00 63.22 H new ATOM 0 HA GLN A 4 -4.401 11.622 -9.236 1.00 12.35 H new ATOM 0 HB2 GLN A 4 -5.127 14.408 -8.527 1.00 41.33 H new ATOM 0 HB3 GLN A 4 -3.417 14.167 -8.827 1.00 41.33 H new ATOM 0 HG2 GLN A 4 -4.084 14.616 -10.969 1.00 54.21 H new ATOM 0 HG3 GLN A 4 -4.314 12.879 -10.981 1.00 54.21 H new ATOM 0 HE21 GLN A 4 -5.987 15.995 -10.454 1.00 23.12 H new ATOM 0 HE22 GLN A 4 -7.582 15.431 -10.964 1.00 23.12 H new ATOM 54 N ARG A 5 -2.143 12.081 -7.945 1.00 24.24 N ATOM 55 CA ARG A 5 -0.974 11.874 -7.099 1.00 44.30 C ATOM 56 C ARG A 5 -1.033 10.512 -6.413 1.00 24.55 C ATOM 57 O ARG A 5 -1.791 10.319 -5.463 1.00 51.44 O ATOM 58 CB ARG A 5 -0.875 12.982 -6.048 1.00 4.14 C ATOM 59 CG ARG A 5 0.523 13.157 -5.478 1.00 0.41 C ATOM 60 CD ARG A 5 0.593 14.346 -4.532 1.00 24.14 C ATOM 61 NE ARG A 5 0.852 15.596 -5.241 1.00 54.10 N ATOM 62 CZ ARG A 5 2.058 15.969 -5.655 1.00 32.21 C ATOM 63 NH1 ARG A 5 3.109 15.193 -5.431 1.00 2.14 N ATOM 64 NH2 ARG A 5 2.215 17.122 -6.294 1.00 62.22 N ATOM 0 H ARG A 5 -1.932 12.178 -8.938 1.00 24.24 H new ATOM 0 HA ARG A 5 -0.088 11.904 -7.734 1.00 44.30 H new ATOM 0 HB2 ARG A 5 -1.197 13.923 -6.493 1.00 4.14 H new ATOM 0 HB3 ARG A 5 -1.565 12.762 -5.234 1.00 4.14 H new ATOM 0 HG2 ARG A 5 0.817 12.251 -4.948 1.00 0.41 H new ATOM 0 HG3 ARG A 5 1.235 13.296 -6.292 1.00 0.41 H new ATOM 0 HD2 ARG A 5 -0.345 14.428 -3.983 1.00 24.14 H new ATOM 0 HD3 ARG A 5 1.379 14.177 -3.796 1.00 24.14 H new ATOM 0 HE ARG A 5 0.064 16.216 -5.429 1.00 54.10 H new ATOM 0 HH11 ARG A 5 2.993 14.307 -4.940 1.00 2.14 H new ATOM 0 HH12 ARG A 5 4.034 15.482 -5.750 1.00 2.14 H new ATOM 0 HH21 ARG A 5 1.409 17.723 -6.468 1.00 62.22 H new ATOM 0 HH22 ARG A 5 3.141 17.407 -6.611 1.00 62.22 H new ATOM 75 N GLN A 6 -0.231 9.573 -6.903 1.00 43.01 N ATOM 76 CA GLN A 6 -0.195 8.229 -6.337 1.00 41.20 C ATOM 77 C GLN A 6 0.272 8.262 -4.886 1.00 73.21 C ATOM 78 O GLN A 6 0.840 9.253 -4.428 1.00 30.24 O ATOM 79 CB GLN A 6 0.729 7.331 -7.163 1.00 64.51 C ATOM 80 CG GLN A 6 0.027 6.637 -8.320 1.00 0.03 C ATOM 81 CD GLN A 6 0.373 7.249 -9.662 1.00 2.42 C ATOM 82 OE1 GLN A 6 1.436 6.981 -10.225 1.00 32.32 O ATOM 83 NE2 GLN A 6 -0.523 8.077 -10.186 1.00 71.04 N ATOM 0 H GLN A 6 0.402 9.717 -7.690 1.00 43.01 H new ATOM 0 HA GLN A 6 -1.206 7.822 -6.364 1.00 41.20 H new ATOM 0 HB2 GLN A 6 1.551 7.931 -7.554 1.00 64.51 H new ATOM 0 HB3 GLN A 6 1.168 6.577 -6.510 1.00 64.51 H new ATOM 0 HG2 GLN A 6 0.299 5.582 -8.325 1.00 0.03 H new ATOM 0 HG3 GLN A 6 -1.051 6.687 -8.169 1.00 0.03 H new ATOM 0 HE21 GLN A 6 -1.391 8.272 -9.687 1.00 71.04 H new ATOM 0 HE22 GLN A 6 -0.344 8.518 -11.088 1.00 71.04 H new ATOM 90 N CYS A 7 0.031 7.171 -4.166 1.00 60.03 N ATOM 91 CA CYS A 7 0.425 7.074 -2.766 1.00 74.31 C ATOM 92 C CYS A 7 1.816 6.461 -2.635 1.00 41.34 C ATOM 93 O CYS A 7 2.700 7.030 -1.996 1.00 64.53 O ATOM 94 CB CYS A 7 -0.590 6.237 -1.986 1.00 2.41 C ATOM 95 SG CYS A 7 -2.324 6.544 -2.453 1.00 33.30 S ATOM 0 H CYS A 7 -0.436 6.341 -4.530 1.00 60.03 H new ATOM 0 HA CYS A 7 0.450 8.081 -2.350 1.00 74.31 H new ATOM 0 HB2 CYS A 7 -0.366 5.181 -2.137 1.00 2.41 H new ATOM 0 HB3 CYS A 7 -0.470 6.440 -0.922 1.00 2.41 H new ATOM 99 N LYS A 8 2.001 5.294 -3.244 1.00 50.45 N ATOM 100 CA LYS A 8 3.284 4.602 -3.197 1.00 14.15 C ATOM 101 C LYS A 8 3.392 3.579 -4.323 1.00 2.44 C ATOM 102 O LYS A 8 2.795 2.504 -4.258 1.00 25.42 O ATOM 103 CB LYS A 8 3.465 3.908 -1.845 1.00 45.25 C ATOM 104 CG LYS A 8 4.068 4.804 -0.777 1.00 75.25 C ATOM 105 CD LYS A 8 3.026 5.246 0.236 1.00 73.21 C ATOM 106 CE LYS A 8 3.289 4.642 1.607 1.00 61.44 C ATOM 107 NZ LYS A 8 4.290 5.429 2.377 1.00 64.31 N ATOM 0 H LYS A 8 1.279 4.808 -3.776 1.00 50.45 H new ATOM 0 HA LYS A 8 4.072 5.344 -3.326 1.00 14.15 H new ATOM 0 HB2 LYS A 8 2.497 3.546 -1.499 1.00 45.25 H new ATOM 0 HB3 LYS A 8 4.103 3.034 -1.977 1.00 45.25 H new ATOM 0 HG2 LYS A 8 4.871 4.272 -0.266 1.00 75.25 H new ATOM 0 HG3 LYS A 8 4.515 5.681 -1.246 1.00 75.25 H new ATOM 0 HD2 LYS A 8 3.028 6.333 0.310 1.00 73.21 H new ATOM 0 HD3 LYS A 8 2.035 4.951 -0.108 1.00 73.21 H new ATOM 0 HE2 LYS A 8 2.356 4.594 2.168 1.00 61.44 H new ATOM 0 HE3 LYS A 8 3.644 3.618 1.491 1.00 61.44 H new ATOM 0 HZ1 LYS A 8 5.189 4.907 2.413 1.00 64.31 H new ATOM 0 HZ2 LYS A 8 4.441 6.347 1.913 1.00 64.31 H new ATOM 0 HZ3 LYS A 8 3.940 5.584 3.344 1.00 64.31 H new ATOM 117 N LYS A 9 4.157 3.919 -5.354 1.00 61.20 N ATOM 118 CA LYS A 9 4.346 3.030 -6.495 1.00 45.51 C ATOM 119 C LYS A 9 5.409 1.978 -6.194 1.00 53.34 C ATOM 120 O LYS A 9 5.865 1.851 -5.056 1.00 41.01 O ATOM 121 CB LYS A 9 4.745 3.833 -7.734 1.00 23.31 C ATOM 122 CG LYS A 9 3.780 4.958 -8.066 1.00 74.25 C ATOM 123 CD LYS A 9 4.512 6.268 -8.309 1.00 43.40 C ATOM 124 CE LYS A 9 4.334 7.230 -7.146 1.00 12.14 C ATOM 125 NZ LYS A 9 4.271 8.646 -7.603 1.00 0.04 N ATOM 0 H LYS A 9 4.657 4.805 -5.424 1.00 61.20 H new ATOM 0 HA LYS A 9 3.401 2.522 -6.688 1.00 45.51 H new ATOM 0 HB2 LYS A 9 5.739 4.252 -7.580 1.00 23.31 H new ATOM 0 HB3 LYS A 9 4.812 3.159 -8.588 1.00 23.31 H new ATOM 0 HG2 LYS A 9 3.202 4.693 -8.952 1.00 74.25 H new ATOM 0 HG3 LYS A 9 3.070 5.083 -7.248 1.00 74.25 H new ATOM 0 HD2 LYS A 9 5.573 6.070 -8.460 1.00 43.40 H new ATOM 0 HD3 LYS A 9 4.140 6.729 -9.224 1.00 43.40 H new ATOM 0 HE2 LYS A 9 3.421 6.982 -6.606 1.00 12.14 H new ATOM 0 HE3 LYS A 9 5.161 7.111 -6.446 1.00 12.14 H new ATOM 0 HZ1 LYS A 9 4.149 9.271 -6.781 1.00 0.04 H new ATOM 0 HZ2 LYS A 9 5.153 8.891 -8.097 1.00 0.04 H new ATOM 0 HZ3 LYS A 9 3.467 8.766 -8.251 1.00 0.04 H new ATOM 135 N ILE A 10 5.800 1.227 -7.218 1.00 40.30 N ATOM 136 CA ILE A 10 6.810 0.189 -7.063 1.00 72.53 C ATOM 137 C ILE A 10 8.153 0.786 -6.655 1.00 23.42 C ATOM 138 O ILE A 10 8.712 1.624 -7.362 1.00 32.55 O ATOM 139 CB ILE A 10 6.993 -0.617 -8.362 1.00 11.12 C ATOM 140 CG1 ILE A 10 5.650 -1.181 -8.831 1.00 12.50 C ATOM 141 CG2 ILE A 10 8.000 -1.738 -8.153 1.00 24.13 C ATOM 142 CD1 ILE A 10 4.958 -2.037 -7.793 1.00 50.10 C ATOM 0 H ILE A 10 5.432 1.319 -8.165 1.00 40.30 H new ATOM 0 HA ILE A 10 6.458 -0.479 -6.277 1.00 72.53 H new ATOM 0 HB ILE A 10 7.376 0.050 -9.135 1.00 11.12 H new ATOM 0 HG12 ILE A 10 4.994 -0.355 -9.105 1.00 12.50 H new ATOM 0 HG13 ILE A 10 5.809 -1.774 -9.732 1.00 12.50 H new ATOM 0 HG21 ILE A 10 8.118 -2.298 -9.080 1.00 24.13 H new ATOM 0 HG22 ILE A 10 8.961 -1.314 -7.860 1.00 24.13 H new ATOM 0 HG23 ILE A 10 7.644 -2.406 -7.369 1.00 24.13 H new ATOM 0 HD11 ILE A 10 4.013 -2.402 -8.194 1.00 50.10 H new ATOM 0 HD12 ILE A 10 5.595 -2.884 -7.536 1.00 50.10 H new ATOM 0 HD13 ILE A 10 4.767 -1.442 -6.900 1.00 50.10 H new ATOM 153 N GLY A 11 8.666 0.346 -5.510 1.00 3.24 N ATOM 154 CA GLY A 11 9.941 0.846 -5.028 1.00 50.44 C ATOM 155 C GLY A 11 9.784 1.822 -3.879 1.00 32.53 C ATOM 156 O GLY A 11 10.767 2.376 -3.389 1.00 22.21 O ATOM 0 H GLY A 11 8.222 -0.347 -4.908 1.00 3.24 H new ATOM 0 HA2 GLY A 11 10.559 0.007 -4.706 1.00 50.44 H new ATOM 0 HA3 GLY A 11 10.469 1.335 -5.847 1.00 50.44 H new ATOM 160 N GLU A 12 8.543 2.034 -3.449 1.00 11.04 N ATOM 161 CA GLU A 12 8.262 2.952 -2.352 1.00 72.23 C ATOM 162 C GLU A 12 8.290 2.222 -1.011 1.00 10.32 C ATOM 163 O GLU A 12 8.461 1.004 -0.958 1.00 45.23 O ATOM 164 CB GLU A 12 6.900 3.620 -2.553 1.00 14.51 C ATOM 165 CG GLU A 12 6.848 4.545 -3.757 1.00 22.04 C ATOM 166 CD GLU A 12 8.132 5.330 -3.946 1.00 61.32 C ATOM 167 OE1 GLU A 12 8.940 4.944 -4.816 1.00 30.33 O ATOM 168 OE2 GLU A 12 8.329 6.329 -3.224 1.00 54.22 O ATOM 0 H GLU A 12 7.718 1.583 -3.844 1.00 11.04 H new ATOM 0 HA GLU A 12 9.037 3.718 -2.345 1.00 72.23 H new ATOM 0 HB2 GLU A 12 6.139 2.848 -2.666 1.00 14.51 H new ATOM 0 HB3 GLU A 12 6.648 4.188 -1.658 1.00 14.51 H new ATOM 0 HG2 GLU A 12 6.651 3.957 -4.654 1.00 22.04 H new ATOM 0 HG3 GLU A 12 6.016 5.239 -3.641 1.00 22.04 H new ATOM 173 N HIS A 13 8.122 2.977 0.069 1.00 34.15 N ATOM 174 CA HIS A 13 8.127 2.403 1.411 1.00 13.40 C ATOM 175 C HIS A 13 6.712 2.327 1.975 1.00 24.02 C ATOM 176 O HIS A 13 5.897 3.224 1.761 1.00 41.11 O ATOM 177 CB HIS A 13 9.014 3.233 2.340 1.00 24.43 C ATOM 178 CG HIS A 13 9.290 2.571 3.654 1.00 65.33 C ATOM 179 ND1 HIS A 13 8.497 2.747 4.767 1.00 41.43 N ATOM 180 CD2 HIS A 13 10.280 1.725 4.029 1.00 32.34 C ATOM 181 CE1 HIS A 13 8.986 2.041 5.771 1.00 21.35 C ATOM 182 NE2 HIS A 13 10.068 1.412 5.349 1.00 4.21 N ATOM 0 H HIS A 13 7.981 3.987 0.042 1.00 34.15 H new ATOM 0 HA HIS A 13 8.528 1.392 1.345 1.00 13.40 H new ATOM 0 HB2 HIS A 13 9.961 3.436 1.839 1.00 24.43 H new ATOM 0 HB3 HIS A 13 8.536 4.196 2.521 1.00 24.43 H new ATOM 0 HD2 HIS A 13 11.085 1.364 3.406 1.00 32.34 H new ATOM 0 HE1 HIS A 13 8.572 1.987 6.767 1.00 21.35 H new ATOM 0 HE2 HIS A 13 10.652 0.794 5.912 1.00 4.21 H new ATOM 189 N CYS A 14 6.425 1.247 2.696 1.00 31.41 N ATOM 190 CA CYS A 14 5.108 1.052 3.290 1.00 10.24 C ATOM 191 C CYS A 14 5.135 -0.083 4.310 1.00 50.24 C ATOM 192 O CYS A 14 5.864 -1.062 4.147 1.00 1.54 O ATOM 193 CB CYS A 14 4.075 0.750 2.202 1.00 4.14 C ATOM 194 SG CYS A 14 4.607 -0.511 1.001 1.00 62.05 S ATOM 0 H CYS A 14 7.087 0.494 2.883 1.00 31.41 H new ATOM 0 HA CYS A 14 4.828 1.972 3.803 1.00 10.24 H new ATOM 0 HB2 CYS A 14 3.151 0.418 2.675 1.00 4.14 H new ATOM 0 HB3 CYS A 14 3.846 1.672 1.667 1.00 4.14 H new ATOM 198 N TYR A 15 4.335 0.055 5.361 1.00 63.22 N ATOM 199 CA TYR A 15 4.268 -0.956 6.409 1.00 52.43 C ATOM 200 C TYR A 15 3.228 -2.021 6.072 1.00 65.00 C ATOM 201 O TYR A 15 3.387 -3.192 6.416 1.00 64.51 O ATOM 202 CB TYR A 15 3.933 -0.306 7.753 1.00 54.43 C ATOM 203 CG TYR A 15 5.001 0.640 8.250 1.00 71.20 C ATOM 204 CD1 TYR A 15 4.818 2.017 8.194 1.00 24.45 C ATOM 205 CD2 TYR A 15 6.194 0.160 8.776 1.00 52.01 C ATOM 206 CE1 TYR A 15 5.791 2.887 8.647 1.00 55.55 C ATOM 207 CE2 TYR A 15 7.172 1.022 9.232 1.00 75.04 C ATOM 208 CZ TYR A 15 6.966 2.384 9.165 1.00 34.32 C ATOM 209 OH TYR A 15 7.938 3.246 9.618 1.00 52.33 O ATOM 0 H TYR A 15 3.723 0.858 5.510 1.00 63.22 H new ATOM 0 HA TYR A 15 5.244 -1.436 6.479 1.00 52.43 H new ATOM 0 HB2 TYR A 15 2.993 0.237 7.660 1.00 54.43 H new ATOM 0 HB3 TYR A 15 3.777 -1.088 8.496 1.00 54.43 H new ATOM 0 HD1 TYR A 15 3.899 2.414 7.789 1.00 24.45 H new ATOM 0 HD2 TYR A 15 6.359 -0.906 8.829 1.00 52.01 H new ATOM 0 HE1 TYR A 15 5.632 3.954 8.596 1.00 55.55 H new ATOM 0 HE2 TYR A 15 8.093 0.632 9.639 1.00 75.04 H new ATOM 0 HH TYR A 15 8.702 2.731 9.952 1.00 52.33 H new ATOM 218 N VAL A 16 2.162 -1.605 5.396 1.00 5.31 N ATOM 219 CA VAL A 16 1.096 -2.521 5.011 1.00 50.32 C ATOM 220 C VAL A 16 0.680 -2.302 3.560 1.00 14.41 C ATOM 221 O VAL A 16 1.172 -1.392 2.894 1.00 52.01 O ATOM 222 CB VAL A 16 -0.139 -2.359 5.918 1.00 40.21 C ATOM 223 CG1 VAL A 16 0.127 -2.949 7.294 1.00 22.04 C ATOM 224 CG2 VAL A 16 -0.533 -0.893 6.024 1.00 52.25 C ATOM 0 H VAL A 16 2.014 -0.639 5.104 1.00 5.31 H new ATOM 0 HA VAL A 16 1.491 -3.531 5.124 1.00 50.32 H new ATOM 0 HB VAL A 16 -0.970 -2.904 5.471 1.00 40.21 H new ATOM 0 HG11 VAL A 16 -0.757 -2.825 7.920 1.00 22.04 H new ATOM 0 HG12 VAL A 16 0.357 -4.010 7.197 1.00 22.04 H new ATOM 0 HG13 VAL A 16 0.972 -2.435 7.753 1.00 22.04 H new ATOM 0 HG21 VAL A 16 -1.407 -0.797 6.668 1.00 52.25 H new ATOM 0 HG22 VAL A 16 0.294 -0.324 6.447 1.00 52.25 H new ATOM 0 HG23 VAL A 16 -0.769 -0.507 5.032 1.00 52.25 H new ATOM 234 N ALA A 17 -0.230 -3.141 3.078 1.00 54.22 N ATOM 235 CA ALA A 17 -0.714 -3.038 1.707 1.00 71.23 C ATOM 236 C ALA A 17 -1.556 -1.781 1.516 1.00 11.43 C ATOM 237 O ALA A 17 -1.424 -1.081 0.511 1.00 13.55 O ATOM 238 CB ALA A 17 -1.518 -4.275 1.336 1.00 54.11 C ATOM 0 H ALA A 17 -0.647 -3.900 3.617 1.00 54.22 H new ATOM 0 HA ALA A 17 0.151 -2.969 1.047 1.00 71.23 H new ATOM 0 HB1 ALA A 17 -1.873 -4.184 0.309 1.00 54.11 H new ATOM 0 HB2 ALA A 17 -0.887 -5.159 1.425 1.00 54.11 H new ATOM 0 HB3 ALA A 17 -2.371 -4.369 2.008 1.00 54.11 H new ATOM 244 N ASP A 18 -2.420 -1.501 2.484 1.00 11.15 N ATOM 245 CA ASP A 18 -3.284 -0.326 2.423 1.00 13.30 C ATOM 246 C ASP A 18 -2.462 0.943 2.221 1.00 11.20 C ATOM 247 O ASP A 18 -2.904 1.881 1.559 1.00 54.21 O ATOM 248 CB ASP A 18 -4.117 -0.212 3.699 1.00 72.23 C ATOM 249 CG ASP A 18 -5.402 0.563 3.484 1.00 15.13 C ATOM 250 OD1 ASP A 18 -5.928 0.540 2.351 1.00 43.33 O ATOM 251 OD2 ASP A 18 -5.883 1.194 4.450 1.00 72.10 O ATOM 0 H ASP A 18 -2.542 -2.071 3.321 1.00 11.15 H new ATOM 0 HA ASP A 18 -3.954 -0.442 1.571 1.00 13.30 H new ATOM 0 HB2 ASP A 18 -4.355 -1.211 4.064 1.00 72.23 H new ATOM 0 HB3 ASP A 18 -3.526 0.278 4.473 1.00 72.23 H new ATOM 255 N GLU A 19 -1.263 0.964 2.797 1.00 44.21 N ATOM 256 CA GLU A 19 -0.381 2.119 2.682 1.00 70.24 C ATOM 257 C GLU A 19 -0.005 2.373 1.225 1.00 54.23 C ATOM 258 O GLU A 19 0.205 3.515 0.816 1.00 72.44 O ATOM 259 CB GLU A 19 0.883 1.908 3.517 1.00 3.45 C ATOM 260 CG GLU A 19 1.048 2.921 4.638 1.00 23.14 C ATOM 261 CD GLU A 19 -0.034 2.804 5.694 1.00 31.23 C ATOM 262 OE1 GLU A 19 -1.180 3.217 5.416 1.00 34.31 O ATOM 263 OE2 GLU A 19 0.265 2.301 6.796 1.00 21.53 O ATOM 0 H GLU A 19 -0.881 0.195 3.347 1.00 44.21 H new ATOM 0 HA GLU A 19 -0.915 2.991 3.059 1.00 70.24 H new ATOM 0 HB2 GLU A 19 0.863 0.906 3.945 1.00 3.45 H new ATOM 0 HB3 GLU A 19 1.753 1.958 2.863 1.00 3.45 H new ATOM 0 HG2 GLU A 19 2.023 2.784 5.106 1.00 23.14 H new ATOM 0 HG3 GLU A 19 1.034 3.927 4.219 1.00 23.14 H new ATOM 268 N CYS A 20 0.079 1.300 0.446 1.00 12.33 N ATOM 269 CA CYS A 20 0.432 1.403 -0.965 1.00 35.21 C ATOM 270 C CYS A 20 -0.819 1.555 -1.827 1.00 41.05 C ATOM 271 O CYS A 20 -1.752 0.758 -1.733 1.00 32.13 O ATOM 272 CB CYS A 20 1.222 0.170 -1.407 1.00 53.00 C ATOM 273 SG CYS A 20 2.923 0.534 -1.949 1.00 4.22 S ATOM 0 H CYS A 20 -0.093 0.348 0.769 1.00 12.33 H new ATOM 0 HA CYS A 20 1.053 2.289 -1.095 1.00 35.21 H new ATOM 0 HB2 CYS A 20 1.259 -0.540 -0.581 1.00 53.00 H new ATOM 0 HB3 CYS A 20 0.688 -0.317 -2.223 1.00 53.00 H new ATOM 277 N CYS A 21 -0.828 2.585 -2.668 1.00 12.50 N ATOM 278 CA CYS A 21 -1.962 2.842 -3.547 1.00 4.44 C ATOM 279 C CYS A 21 -2.209 1.659 -4.479 1.00 32.03 C ATOM 280 O CYS A 21 -3.339 1.408 -4.896 1.00 13.43 O ATOM 281 CB CYS A 21 -1.718 4.111 -4.369 1.00 22.10 C ATOM 282 SG CYS A 21 -2.889 5.460 -4.018 1.00 13.22 S ATOM 0 H CYS A 21 -0.063 3.254 -2.759 1.00 12.50 H new ATOM 0 HA CYS A 21 -2.847 2.982 -2.926 1.00 4.44 H new ATOM 0 HB2 CYS A 21 -0.705 4.465 -4.179 1.00 22.10 H new ATOM 0 HB3 CYS A 21 -1.775 3.861 -5.428 1.00 22.10 H new ATOM 286 N SER A 22 -1.141 0.935 -4.802 1.00 34.32 N ATOM 287 CA SER A 22 -1.240 -0.219 -5.687 1.00 4.02 C ATOM 288 C SER A 22 -1.659 -1.464 -4.911 1.00 60.11 C ATOM 289 O SER A 22 -2.090 -2.459 -5.495 1.00 73.30 O ATOM 290 CB SER A 22 0.096 -0.468 -6.388 1.00 64.11 C ATOM 291 OG SER A 22 0.018 -1.586 -7.255 1.00 30.25 O ATOM 0 H SER A 22 -0.198 1.128 -4.464 1.00 34.32 H new ATOM 0 HA SER A 22 -2.001 -0.005 -6.437 1.00 4.02 H new ATOM 0 HB2 SER A 22 0.382 0.417 -6.956 1.00 64.11 H new ATOM 0 HB3 SER A 22 0.875 -0.635 -5.644 1.00 64.11 H new ATOM 0 HG SER A 22 0.885 -1.722 -7.692 1.00 30.25 H new ATOM 296 N LYS A 23 -1.530 -1.401 -3.590 1.00 41.13 N ATOM 297 CA LYS A 23 -1.896 -2.521 -2.731 1.00 41.04 C ATOM 298 C LYS A 23 -1.001 -3.727 -2.998 1.00 44.22 C ATOM 299 O LYS A 23 -1.481 -4.853 -3.126 1.00 31.24 O ATOM 300 CB LYS A 23 -3.362 -2.903 -2.951 1.00 71.41 C ATOM 301 CG LYS A 23 -4.317 -1.725 -2.859 1.00 25.51 C ATOM 302 CD LYS A 23 -5.221 -1.833 -1.643 1.00 62.54 C ATOM 303 CE LYS A 23 -6.319 -0.780 -1.669 1.00 63.21 C ATOM 304 NZ LYS A 23 -7.643 -1.369 -2.012 1.00 71.15 N ATOM 0 H LYS A 23 -1.175 -0.586 -3.091 1.00 41.13 H new ATOM 0 HA LYS A 23 -1.759 -2.211 -1.695 1.00 41.04 H new ATOM 0 HB2 LYS A 23 -3.465 -3.368 -3.932 1.00 71.41 H new ATOM 0 HB3 LYS A 23 -3.649 -3.651 -2.212 1.00 71.41 H new ATOM 0 HG2 LYS A 23 -3.747 -0.797 -2.809 1.00 25.51 H new ATOM 0 HG3 LYS A 23 -4.925 -1.677 -3.762 1.00 25.51 H new ATOM 0 HD2 LYS A 23 -5.669 -2.826 -1.608 1.00 62.54 H new ATOM 0 HD3 LYS A 23 -4.628 -1.719 -0.736 1.00 62.54 H new ATOM 0 HE2 LYS A 23 -6.379 -0.294 -0.695 1.00 63.21 H new ATOM 0 HE3 LYS A 23 -6.065 -0.008 -2.396 1.00 63.21 H new ATOM 0 HZ1 LYS A 23 -8.365 -0.620 -2.020 1.00 71.15 H new ATOM 0 HZ2 LYS A 23 -7.593 -1.811 -2.952 1.00 71.15 H new ATOM 0 HZ3 LYS A 23 -7.897 -2.087 -1.304 1.00 71.15 H new ATOM 314 N ARG A 24 0.304 -3.483 -3.078 1.00 21.34 N ATOM 315 CA ARG A 24 1.266 -4.549 -3.329 1.00 21.41 C ATOM 316 C ARG A 24 2.401 -4.507 -2.311 1.00 0.40 C ATOM 317 O ARG A 24 3.542 -4.848 -2.623 1.00 5.40 O ATOM 318 CB ARG A 24 1.832 -4.431 -4.745 1.00 31.31 C ATOM 319 CG ARG A 24 1.202 -5.397 -5.735 1.00 1.11 C ATOM 320 CD ARG A 24 1.447 -6.844 -5.335 1.00 22.03 C ATOM 321 NE ARG A 24 1.508 -7.729 -6.495 1.00 72.42 N ATOM 322 CZ ARG A 24 0.457 -8.025 -7.250 1.00 51.15 C ATOM 323 NH1 ARG A 24 -0.731 -7.509 -6.969 1.00 0.15 N ATOM 324 NH2 ARG A 24 0.593 -8.840 -8.289 1.00 2.41 N ATOM 0 H ARG A 24 0.718 -2.557 -2.973 1.00 21.34 H new ATOM 0 HA ARG A 24 0.748 -5.503 -3.231 1.00 21.41 H new ATOM 0 HB2 ARG A 24 1.686 -3.412 -5.102 1.00 31.31 H new ATOM 0 HB3 ARG A 24 2.907 -4.606 -4.713 1.00 31.31 H new ATOM 0 HG2 ARG A 24 0.130 -5.211 -5.794 1.00 1.11 H new ATOM 0 HG3 ARG A 24 1.611 -5.219 -6.729 1.00 1.11 H new ATOM 0 HD2 ARG A 24 2.381 -6.913 -4.777 1.00 22.03 H new ATOM 0 HD3 ARG A 24 0.652 -7.175 -4.668 1.00 22.03 H new ATOM 0 HE ARG A 24 2.408 -8.143 -6.739 1.00 72.42 H new ATOM 0 HH11 ARG A 24 -0.839 -6.883 -6.171 1.00 0.15 H new ATOM 0 HH12 ARG A 24 -1.537 -7.738 -7.551 1.00 0.15 H new ATOM 0 HH21 ARG A 24 1.506 -9.239 -8.508 1.00 2.41 H new ATOM 0 HH22 ARG A 24 -0.215 -9.067 -8.868 1.00 2.41 H new ATOM 335 N CYS A 25 2.080 -4.088 -1.091 1.00 43.43 N ATOM 336 CA CYS A 25 3.073 -3.999 -0.027 1.00 42.23 C ATOM 337 C CYS A 25 3.183 -5.323 0.724 1.00 34.23 C ATOM 338 O CYS A 25 2.218 -6.083 0.811 1.00 13.14 O ATOM 339 CB CYS A 25 2.708 -2.877 0.947 1.00 20.11 C ATOM 340 SG CYS A 25 4.129 -2.200 1.866 1.00 35.53 S ATOM 0 H CYS A 25 1.140 -3.805 -0.815 1.00 43.43 H new ATOM 0 HA CYS A 25 4.038 -3.777 -0.482 1.00 42.23 H new ATOM 0 HB2 CYS A 25 2.230 -2.070 0.392 1.00 20.11 H new ATOM 0 HB3 CYS A 25 1.974 -3.253 1.659 1.00 20.11 H new ATOM 344 N LEU A 26 4.366 -5.592 1.266 1.00 72.20 N ATOM 345 CA LEU A 26 4.604 -6.824 2.010 1.00 55.12 C ATOM 346 C LEU A 26 5.309 -6.535 3.332 1.00 43.12 C ATOM 347 O LEU A 26 6.056 -5.563 3.449 1.00 44.04 O ATOM 348 CB LEU A 26 5.441 -7.795 1.175 1.00 32.20 C ATOM 349 CG LEU A 26 5.514 -9.233 1.690 1.00 51.14 C ATOM 350 CD1 LEU A 26 4.259 -10.002 1.309 1.00 41.23 C ATOM 351 CD2 LEU A 26 6.755 -9.930 1.150 1.00 33.40 C ATOM 0 H LEU A 26 5.175 -4.974 1.204 1.00 72.20 H new ATOM 0 HA LEU A 26 3.638 -7.280 2.226 1.00 55.12 H new ATOM 0 HB2 LEU A 26 5.038 -7.813 0.163 1.00 32.20 H new ATOM 0 HB3 LEU A 26 6.456 -7.403 1.107 1.00 32.20 H new ATOM 0 HG LEU A 26 5.581 -9.206 2.778 1.00 51.14 H new ATOM 0 HD11 LEU A 26 4.330 -11.023 1.684 1.00 41.23 H new ATOM 0 HD12 LEU A 26 3.387 -9.515 1.745 1.00 41.23 H new ATOM 0 HD13 LEU A 26 4.159 -10.020 0.224 1.00 41.23 H new ATOM 0 HD21 LEU A 26 6.791 -10.952 1.527 1.00 33.40 H new ATOM 0 HD22 LEU A 26 6.719 -9.946 0.061 1.00 33.40 H new ATOM 0 HD23 LEU A 26 7.645 -9.392 1.476 1.00 33.40 H new ATOM 362 N PHE A 27 5.068 -7.386 4.324 1.00 74.42 N ATOM 363 CA PHE A 27 5.680 -7.221 5.637 1.00 12.34 C ATOM 364 C PHE A 27 7.189 -7.440 5.565 1.00 21.32 C ATOM 365 O PHE A 27 7.950 -6.856 6.335 1.00 65.24 O ATOM 366 CB PHE A 27 5.060 -8.198 6.638 1.00 52.45 C ATOM 367 CG PHE A 27 3.745 -7.731 7.196 1.00 34.22 C ATOM 368 CD1 PHE A 27 3.578 -7.562 8.560 1.00 21.20 C ATOM 369 CD2 PHE A 27 2.678 -7.460 6.354 1.00 13.42 C ATOM 370 CE1 PHE A 27 2.369 -7.132 9.076 1.00 44.41 C ATOM 371 CE2 PHE A 27 1.468 -7.029 6.864 1.00 22.04 C ATOM 372 CZ PHE A 27 1.313 -6.866 8.226 1.00 55.32 C ATOM 0 H PHE A 27 4.454 -8.196 4.244 1.00 74.42 H new ATOM 0 HA PHE A 27 5.494 -6.201 5.972 1.00 12.34 H new ATOM 0 HB2 PHE A 27 4.917 -9.163 6.151 1.00 52.45 H new ATOM 0 HB3 PHE A 27 5.759 -8.356 7.460 1.00 52.45 H new ATOM 0 HD1 PHE A 27 4.401 -7.768 9.228 1.00 21.20 H new ATOM 0 HD2 PHE A 27 2.793 -7.587 5.288 1.00 13.42 H new ATOM 0 HE1 PHE A 27 2.251 -7.004 10.142 1.00 44.41 H new ATOM 0 HE2 PHE A 27 0.644 -6.820 6.197 1.00 22.04 H new ATOM 0 HZ PHE A 27 0.368 -6.531 8.626 1.00 55.32 H new ATOM 381 N TYR A 28 7.614 -8.287 4.633 1.00 24.15 N ATOM 382 CA TYR A 28 9.030 -8.587 4.462 1.00 42.22 C ATOM 383 C TYR A 28 9.694 -7.572 3.537 1.00 64.32 C ATOM 384 O TYR A 28 10.732 -7.000 3.867 1.00 52.42 O ATOM 385 CB TYR A 28 9.210 -9.999 3.900 1.00 43.05 C ATOM 386 CG TYR A 28 8.735 -11.088 4.835 1.00 43.42 C ATOM 387 CD1 TYR A 28 7.449 -11.604 4.735 1.00 4.24 C ATOM 388 CD2 TYR A 28 9.572 -11.599 5.819 1.00 65.43 C ATOM 389 CE1 TYR A 28 7.010 -12.598 5.587 1.00 31.12 C ATOM 390 CE2 TYR A 28 9.141 -12.595 6.675 1.00 14.24 C ATOM 391 CZ TYR A 28 7.860 -13.091 6.555 1.00 71.23 C ATOM 392 OH TYR A 28 7.428 -14.082 7.406 1.00 4.41 O ATOM 0 H TYR A 28 6.998 -8.777 3.985 1.00 24.15 H new ATOM 0 HA TYR A 28 9.508 -8.528 5.440 1.00 42.22 H new ATOM 0 HB2 TYR A 28 8.667 -10.078 2.958 1.00 43.05 H new ATOM 0 HB3 TYR A 28 10.264 -10.160 3.675 1.00 43.05 H new ATOM 0 HD1 TYR A 28 6.781 -11.221 3.978 1.00 4.24 H new ATOM 0 HD2 TYR A 28 10.575 -11.212 5.917 1.00 65.43 H new ATOM 0 HE1 TYR A 28 6.007 -12.987 5.496 1.00 31.12 H new ATOM 0 HE2 TYR A 28 9.804 -12.983 7.434 1.00 14.24 H new ATOM 0 HH TYR A 28 8.149 -14.317 8.027 1.00 4.41 H new ATOM 401 N ALA A 29 9.084 -7.351 2.376 1.00 61.12 N ATOM 402 CA ALA A 29 9.612 -6.403 1.404 1.00 21.34 C ATOM 403 C ALA A 29 9.505 -4.971 1.918 1.00 24.31 C ATOM 404 O ALA A 29 10.418 -4.168 1.739 1.00 43.14 O ATOM 405 CB ALA A 29 8.882 -6.545 0.076 1.00 2.14 C ATOM 0 H ALA A 29 8.224 -7.816 2.087 1.00 61.12 H new ATOM 0 HA ALA A 29 10.667 -6.628 1.252 1.00 21.34 H new ATOM 0 HB1 ALA A 29 9.287 -5.830 -0.640 1.00 2.14 H new ATOM 0 HB2 ALA A 29 9.015 -7.557 -0.306 1.00 2.14 H new ATOM 0 HB3 ALA A 29 7.820 -6.349 0.222 1.00 2.14 H new ATOM 411 N ALA A 30 8.382 -4.661 2.557 1.00 71.15 N ATOM 412 CA ALA A 30 8.156 -3.327 3.099 1.00 3.03 C ATOM 413 C ALA A 30 8.139 -2.279 1.991 1.00 12.05 C ATOM 414 O ALA A 30 8.152 -1.077 2.257 1.00 32.52 O ATOM 415 CB ALA A 30 9.222 -2.988 4.132 1.00 72.24 C ATOM 0 H ALA A 30 7.615 -5.315 2.712 1.00 71.15 H new ATOM 0 HA ALA A 30 7.180 -3.321 3.584 1.00 3.03 H new ATOM 0 HB1 ALA A 30 9.040 -1.989 4.528 1.00 72.24 H new ATOM 0 HB2 ALA A 30 9.184 -3.713 4.945 1.00 72.24 H new ATOM 0 HB3 ALA A 30 10.206 -3.019 3.663 1.00 72.24 H new ATOM 421 N LYS A 31 8.112 -2.743 0.746 1.00 34.24 N ATOM 422 CA LYS A 31 8.093 -1.847 -0.405 1.00 22.22 C ATOM 423 C LYS A 31 7.180 -2.388 -1.500 1.00 22.40 C ATOM 424 O LYS A 31 7.157 -3.591 -1.766 1.00 1.32 O ATOM 425 CB LYS A 31 9.510 -1.658 -0.953 1.00 4.22 C ATOM 426 CG LYS A 31 9.546 -1.170 -2.390 1.00 12.42 C ATOM 427 CD LYS A 31 9.650 -2.327 -3.369 1.00 61.02 C ATOM 428 CE LYS A 31 11.080 -2.834 -3.481 1.00 62.44 C ATOM 429 NZ LYS A 31 11.524 -2.933 -4.900 1.00 3.33 N ATOM 0 H LYS A 31 8.103 -3.735 0.508 1.00 34.24 H new ATOM 0 HA LYS A 31 7.705 -0.882 -0.078 1.00 22.22 H new ATOM 0 HB2 LYS A 31 10.042 -0.946 -0.323 1.00 4.22 H new ATOM 0 HB3 LYS A 31 10.046 -2.605 -0.886 1.00 4.22 H new ATOM 0 HG2 LYS A 31 8.646 -0.593 -2.602 1.00 12.42 H new ATOM 0 HG3 LYS A 31 10.394 -0.499 -2.526 1.00 12.42 H new ATOM 0 HD2 LYS A 31 8.999 -3.139 -3.045 1.00 61.02 H new ATOM 0 HD3 LYS A 31 9.298 -2.008 -4.350 1.00 61.02 H new ATOM 0 HE2 LYS A 31 11.746 -2.164 -2.938 1.00 62.44 H new ATOM 0 HE3 LYS A 31 11.157 -3.813 -3.007 1.00 62.44 H new ATOM 0 HZ1 LYS A 31 12.503 -3.282 -4.934 1.00 3.33 H new ATOM 0 HZ2 LYS A 31 10.904 -3.592 -5.413 1.00 3.33 H new ATOM 0 HZ3 LYS A 31 11.475 -1.994 -5.345 1.00 3.33 H new ATOM 439 N CYS A 32 6.432 -1.493 -2.135 1.00 14.43 N ATOM 440 CA CYS A 32 5.518 -1.879 -3.203 1.00 55.04 C ATOM 441 C CYS A 32 6.237 -2.712 -4.261 1.00 42.15 C ATOM 442 O CYS A 32 7.117 -2.216 -4.964 1.00 65.14 O ATOM 443 CB CYS A 32 4.900 -0.638 -3.849 1.00 44.43 C ATOM 444 SG CYS A 32 3.096 -0.509 -3.638 1.00 21.24 S ATOM 0 H CYS A 32 6.441 -0.494 -1.928 1.00 14.43 H new ATOM 0 HA CYS A 32 4.725 -2.485 -2.765 1.00 55.04 H new ATOM 0 HB2 CYS A 32 5.369 0.250 -3.426 1.00 44.43 H new ATOM 0 HB3 CYS A 32 5.131 -0.643 -4.914 1.00 44.43 H new ATOM 448 N VAL A 33 5.856 -3.980 -4.367 1.00 0.54 N ATOM 449 CA VAL A 33 6.464 -4.882 -5.339 1.00 35.11 C ATOM 450 C VAL A 33 5.437 -5.366 -6.357 1.00 1.55 C ATOM 451 O VAL A 33 4.335 -5.778 -5.994 1.00 55.23 O ATOM 452 CB VAL A 33 7.102 -6.103 -4.650 1.00 31.33 C ATOM 453 CG1 VAL A 33 8.472 -5.746 -4.093 1.00 71.52 C ATOM 454 CG2 VAL A 33 6.192 -6.630 -3.551 1.00 3.21 C ATOM 0 H VAL A 33 5.129 -4.407 -3.792 1.00 0.54 H new ATOM 0 HA VAL A 33 7.242 -4.316 -5.852 1.00 35.11 H new ATOM 0 HB VAL A 33 7.232 -6.891 -5.392 1.00 31.33 H new ATOM 0 HG11 VAL A 33 8.908 -6.621 -3.610 1.00 71.52 H new ATOM 0 HG12 VAL A 33 9.121 -5.419 -4.905 1.00 71.52 H new ATOM 0 HG13 VAL A 33 8.370 -4.942 -3.364 1.00 71.52 H new ATOM 0 HG21 VAL A 33 6.658 -7.493 -3.075 1.00 3.21 H new ATOM 0 HG22 VAL A 33 6.029 -5.849 -2.808 1.00 3.21 H new ATOM 0 HG23 VAL A 33 5.235 -6.926 -3.982 1.00 3.21 H new ATOM 464 N SER A 34 5.806 -5.314 -7.632 1.00 34.41 N ATOM 465 CA SER A 34 4.916 -5.744 -8.704 1.00 1.31 C ATOM 466 C SER A 34 4.415 -7.163 -8.457 1.00 14.03 C ATOM 467 O SER A 34 5.182 -8.044 -8.071 1.00 14.13 O ATOM 468 CB SER A 34 5.634 -5.671 -10.053 1.00 75.31 C ATOM 469 OG SER A 34 4.754 -5.990 -11.117 1.00 52.24 O ATOM 0 H SER A 34 6.716 -4.978 -7.949 1.00 34.41 H new ATOM 0 HA SER A 34 4.058 -5.072 -8.722 1.00 1.31 H new ATOM 0 HB2 SER A 34 6.039 -4.670 -10.199 1.00 75.31 H new ATOM 0 HB3 SER A 34 6.479 -6.360 -10.057 1.00 75.31 H new ATOM 0 HG SER A 34 5.236 -5.934 -11.968 1.00 52.24 H new TER 474 SER A 34