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 Set 1.1: A 6 GLN : amide:sc= 0.347 K(o=0.77,f=-1.4!) USER MOD Set 1.2: A 9 LYS NZ :NH3+ 161:sc= 0.424 (180deg=0) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) 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= -0.0726 K(o=-0.073,f=-1.6!) USER MOD Single : A 8 LYS NZ :NH3+ -106:sc= 0.693 (180deg=-0.225) USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc=-0.000782 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+ -151:sc= -0.133 (180deg=-1.73) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 4.437 11.782 -14.712 1.00 20.23 N ATOM 2 CA SER A 1 3.977 13.136 -14.425 1.00 22.42 C ATOM 3 C SER A 1 2.503 13.297 -14.782 1.00 24.24 C ATOM 4 O SER A 1 2.131 14.198 -15.533 1.00 74.52 O ATOM 5 CB SER A 1 4.815 14.157 -15.198 1.00 70.21 C ATOM 6 OG SER A 1 6.048 14.404 -14.545 1.00 65.24 O ATOM 0 H1 SER A 1 5.443 11.696 -14.461 1.00 20.23 H new ATOM 0 H2 SER A 1 3.882 11.101 -14.155 1.00 20.23 H new ATOM 0 H3 SER A 1 4.315 11.581 -15.725 1.00 20.23 H new ATOM 0 HA SER A 1 4.095 13.314 -13.356 1.00 22.42 H new ATOM 0 HB2 SER A 1 5.002 13.790 -16.207 1.00 70.21 H new ATOM 0 HB3 SER A 1 4.259 15.089 -15.296 1.00 70.21 H new ATOM 0 HG SER A 1 6.565 15.058 -15.060 1.00 65.24 H new ATOM 11 N GLN A 2 1.670 12.416 -14.239 1.00 45.43 N ATOM 12 CA GLN A 2 0.235 12.460 -14.501 1.00 14.41 C ATOM 13 C GLN A 2 -0.508 13.133 -13.351 1.00 33.32 C ATOM 14 O GLN A 2 0.029 13.278 -12.253 1.00 3.31 O ATOM 15 CB GLN A 2 -0.308 11.046 -14.716 1.00 32.44 C ATOM 16 CG GLN A 2 -1.266 10.936 -15.891 1.00 25.24 C ATOM 17 CD GLN A 2 -1.971 9.595 -15.945 1.00 25.03 C ATOM 18 OE1 GLN A 2 -1.602 8.716 -16.725 1.00 53.12 O ATOM 19 NE2 GLN A 2 -2.993 9.429 -15.113 1.00 63.52 N ATOM 0 H GLN A 2 1.963 11.664 -13.616 1.00 45.43 H new ATOM 0 HA GLN A 2 0.074 13.046 -15.406 1.00 14.41 H new ATOM 0 HB2 GLN A 2 0.528 10.365 -14.874 1.00 32.44 H new ATOM 0 HB3 GLN A 2 -0.818 10.720 -13.810 1.00 32.44 H new ATOM 0 HG2 GLN A 2 -2.009 11.731 -15.825 1.00 25.24 H new ATOM 0 HG3 GLN A 2 -0.716 11.091 -16.819 1.00 25.24 H new ATOM 0 HE21 GLN A 2 -3.266 10.184 -14.483 1.00 63.52 H new ATOM 0 HE22 GLN A 2 -3.505 8.547 -15.104 1.00 63.52 H new ATOM 26 N GLU A 3 -1.745 13.544 -13.613 1.00 52.11 N ATOM 27 CA GLU A 3 -2.560 14.204 -12.600 1.00 73.52 C ATOM 28 C GLU A 3 -2.858 13.257 -11.440 1.00 72.20 C ATOM 29 O GLU A 3 -2.746 12.039 -11.576 1.00 62.44 O ATOM 30 CB GLU A 3 -3.869 14.704 -13.214 1.00 14.41 C ATOM 31 CG GLU A 3 -4.798 13.587 -13.661 1.00 32.41 C ATOM 32 CD GLU A 3 -5.967 14.095 -14.482 1.00 30.12 C ATOM 33 OE1 GLU A 3 -7.099 14.110 -13.954 1.00 21.14 O ATOM 34 OE2 GLU A 3 -5.751 14.477 -15.650 1.00 51.31 O ATOM 0 H GLU A 3 -2.204 13.432 -14.517 1.00 52.11 H new ATOM 0 HA GLU A 3 -1.999 15.056 -12.216 1.00 73.52 H new ATOM 0 HB2 GLU A 3 -4.388 15.327 -12.485 1.00 14.41 H new ATOM 0 HB3 GLU A 3 -3.640 15.339 -14.070 1.00 14.41 H new ATOM 0 HG2 GLU A 3 -4.233 12.863 -14.249 1.00 32.41 H new ATOM 0 HG3 GLU A 3 -5.176 13.061 -12.784 1.00 32.41 H new ATOM 39 N GLN A 4 -3.237 13.827 -10.301 1.00 63.22 N ATOM 40 CA GLN A 4 -3.551 13.035 -9.118 1.00 12.35 C ATOM 41 C GLN A 4 -2.349 12.198 -8.690 1.00 24.53 C ATOM 42 O GLN A 4 -2.123 11.107 -9.212 1.00 34.34 O ATOM 43 CB GLN A 4 -4.750 12.125 -9.390 1.00 41.33 C ATOM 44 CG GLN A 4 -6.071 12.697 -8.901 1.00 54.21 C ATOM 45 CD GLN A 4 -7.141 11.636 -8.738 1.00 41.23 C ATOM 46 OE1 GLN A 4 -6.842 10.473 -8.466 1.00 73.35 O ATOM 47 NE2 GLN A 4 -8.397 12.032 -8.904 1.00 23.12 N ATOM 0 H GLN A 4 -3.334 14.834 -10.172 1.00 63.22 H new ATOM 0 HA GLN A 4 -3.801 13.721 -8.308 1.00 12.35 H new ATOM 0 HB2 GLN A 4 -4.819 11.939 -10.462 1.00 41.33 H new ATOM 0 HB3 GLN A 4 -4.581 11.161 -8.909 1.00 41.33 H new ATOM 0 HG2 GLN A 4 -5.914 13.199 -7.946 1.00 54.21 H new ATOM 0 HG3 GLN A 4 -6.418 13.453 -9.605 1.00 54.21 H new ATOM 0 HE21 GLN A 4 -8.599 13.006 -9.129 1.00 23.12 H new ATOM 0 HE22 GLN A 4 -9.160 11.362 -8.807 1.00 23.12 H new ATOM 54 N ARG A 5 -1.582 12.717 -7.737 1.00 24.24 N ATOM 55 CA ARG A 5 -0.402 12.020 -7.240 1.00 44.30 C ATOM 56 C ARG A 5 -0.795 10.728 -6.528 1.00 24.55 C ATOM 57 O ARG A 5 -1.813 10.674 -5.838 1.00 51.44 O ATOM 58 CB ARG A 5 0.385 12.920 -6.287 1.00 4.14 C ATOM 59 CG ARG A 5 1.854 12.547 -6.173 1.00 0.41 C ATOM 60 CD ARG A 5 2.524 13.265 -5.010 1.00 24.14 C ATOM 61 NE ARG A 5 3.580 12.460 -4.405 1.00 54.10 N ATOM 62 CZ ARG A 5 4.172 12.770 -3.256 1.00 32.21 C ATOM 63 NH1 ARG A 5 3.812 13.860 -2.594 1.00 2.14 N ATOM 64 NH2 ARG A 5 5.127 11.987 -2.769 1.00 62.22 N ATOM 0 H ARG A 5 -1.757 13.619 -7.293 1.00 24.24 H new ATOM 0 HA ARG A 5 0.227 11.769 -8.094 1.00 44.30 H new ATOM 0 HB2 ARG A 5 0.306 13.953 -6.627 1.00 4.14 H new ATOM 0 HB3 ARG A 5 -0.071 12.875 -5.298 1.00 4.14 H new ATOM 0 HG2 ARG A 5 1.947 11.469 -6.039 1.00 0.41 H new ATOM 0 HG3 ARG A 5 2.367 12.798 -7.101 1.00 0.41 H new ATOM 0 HD2 ARG A 5 2.943 14.209 -5.360 1.00 24.14 H new ATOM 0 HD3 ARG A 5 1.776 13.508 -4.255 1.00 24.14 H new ATOM 0 HE ARG A 5 3.880 11.614 -4.890 1.00 54.10 H new ATOM 0 HH11 ARG A 5 3.079 14.464 -2.966 1.00 2.14 H new ATOM 0 HH12 ARG A 5 4.268 14.095 -1.713 1.00 2.14 H new ATOM 0 HH21 ARG A 5 5.406 11.148 -3.277 1.00 62.22 H new ATOM 0 HH22 ARG A 5 5.581 12.225 -1.887 1.00 62.22 H new ATOM 75 N GLN A 6 0.018 9.691 -6.702 1.00 43.01 N ATOM 76 CA GLN A 6 -0.245 8.401 -6.076 1.00 41.20 C ATOM 77 C GLN A 6 0.204 8.400 -4.620 1.00 73.21 C ATOM 78 O GLN A 6 0.756 9.384 -4.128 1.00 30.24 O ATOM 79 CB GLN A 6 0.467 7.284 -6.843 1.00 64.51 C ATOM 80 CG GLN A 6 -0.326 6.761 -8.030 1.00 0.03 C ATOM 81 CD GLN A 6 -0.091 7.571 -9.291 1.00 2.42 C ATOM 82 OE1 GLN A 6 1.042 7.703 -9.755 1.00 32.32 O ATOM 83 NE2 GLN A 6 -1.164 8.117 -9.852 1.00 71.04 N ATOM 0 H GLN A 6 0.864 9.719 -7.271 1.00 43.01 H new ATOM 0 HA GLN A 6 -1.320 8.224 -6.105 1.00 41.20 H new ATOM 0 HB2 GLN A 6 1.431 7.653 -7.194 1.00 64.51 H new ATOM 0 HB3 GLN A 6 0.671 6.459 -6.161 1.00 64.51 H new ATOM 0 HG2 GLN A 6 -0.054 5.722 -8.214 1.00 0.03 H new ATOM 0 HG3 GLN A 6 -1.388 6.774 -7.787 1.00 0.03 H new ATOM 0 HE21 GLN A 6 -2.084 7.981 -9.433 1.00 71.04 H new ATOM 0 HE22 GLN A 6 -1.068 8.672 -10.702 1.00 71.04 H new ATOM 90 N CYS A 7 -0.035 7.287 -3.933 1.00 60.03 N ATOM 91 CA CYS A 7 0.344 7.156 -2.531 1.00 74.31 C ATOM 92 C CYS A 7 1.740 6.555 -2.399 1.00 41.34 C ATOM 93 O CYS A 7 2.610 7.118 -1.734 1.00 64.53 O ATOM 94 CB CYS A 7 -0.670 6.288 -1.785 1.00 2.41 C ATOM 95 SG CYS A 7 -2.402 6.592 -2.261 1.00 33.30 S ATOM 0 H CYS A 7 -0.490 6.463 -4.325 1.00 60.03 H new ATOM 0 HA CYS A 7 0.353 8.152 -2.089 1.00 74.31 H new ATOM 0 HB2 CYS A 7 -0.434 5.239 -1.963 1.00 2.41 H new ATOM 0 HB3 CYS A 7 -0.563 6.462 -0.714 1.00 2.41 H new ATOM 99 N LYS A 8 1.946 5.408 -3.036 1.00 50.45 N ATOM 100 CA LYS A 8 3.236 4.729 -2.992 1.00 14.15 C ATOM 101 C LYS A 8 3.369 3.738 -4.144 1.00 2.44 C ATOM 102 O LYS A 8 2.786 2.653 -4.114 1.00 25.42 O ATOM 103 CB LYS A 8 3.407 4.001 -1.657 1.00 45.25 C ATOM 104 CG LYS A 8 3.988 4.875 -0.559 1.00 75.25 C ATOM 105 CD LYS A 8 2.928 5.278 0.452 1.00 73.21 C ATOM 106 CE LYS A 8 3.192 4.655 1.815 1.00 61.44 C ATOM 107 NZ LYS A 8 4.187 5.438 2.600 1.00 64.31 N ATOM 0 H LYS A 8 1.236 4.928 -3.589 1.00 50.45 H new ATOM 0 HA LYS A 8 4.018 5.482 -3.091 1.00 14.15 H new ATOM 0 HB2 LYS A 8 2.438 3.621 -1.333 1.00 45.25 H new ATOM 0 HB3 LYS A 8 4.055 3.137 -1.804 1.00 45.25 H new ATOM 0 HG2 LYS A 8 4.790 4.339 -0.052 1.00 75.25 H new ATOM 0 HG3 LYS A 8 4.430 5.768 -1.000 1.00 75.25 H new ATOM 0 HD2 LYS A 8 2.907 6.364 0.545 1.00 73.21 H new ATOM 0 HD3 LYS A 8 1.946 4.969 0.094 1.00 73.21 H new ATOM 0 HE2 LYS A 8 2.258 4.592 2.373 1.00 61.44 H new ATOM 0 HE3 LYS A 8 3.554 3.635 1.684 1.00 61.44 H new ATOM 0 HZ1 LYS A 8 5.094 4.930 2.616 1.00 64.31 H new ATOM 0 HZ2 LYS A 8 4.321 6.371 2.159 1.00 64.31 H new ATOM 0 HZ3 LYS A 8 3.842 5.561 3.573 1.00 64.31 H new ATOM 117 N LYS A 9 4.140 4.116 -5.158 1.00 61.20 N ATOM 118 CA LYS A 9 4.351 3.260 -6.319 1.00 45.51 C ATOM 119 C LYS A 9 5.429 2.217 -6.037 1.00 53.34 C ATOM 120 O LYS A 9 5.903 2.091 -4.907 1.00 41.01 O ATOM 121 CB LYS A 9 4.747 4.102 -7.534 1.00 23.31 C ATOM 122 CG LYS A 9 3.759 5.210 -7.854 1.00 74.25 C ATOM 123 CD LYS A 9 3.354 5.191 -9.318 1.00 43.40 C ATOM 124 CE LYS A 9 4.306 6.015 -10.171 1.00 12.14 C ATOM 125 NZ LYS A 9 3.583 6.788 -11.219 1.00 0.04 N ATOM 0 H LYS A 9 4.629 5.010 -5.199 1.00 61.20 H new ATOM 0 HA LYS A 9 3.416 2.742 -6.532 1.00 45.51 H new ATOM 0 HB2 LYS A 9 5.728 4.542 -7.356 1.00 23.31 H new ATOM 0 HB3 LYS A 9 4.842 3.450 -8.402 1.00 23.31 H new ATOM 0 HG2 LYS A 9 2.873 5.100 -7.229 1.00 74.25 H new ATOM 0 HG3 LYS A 9 4.203 6.176 -7.611 1.00 74.25 H new ATOM 0 HD2 LYS A 9 3.338 4.163 -9.679 1.00 43.40 H new ATOM 0 HD3 LYS A 9 2.341 5.581 -9.421 1.00 43.40 H new ATOM 0 HE2 LYS A 9 4.864 6.701 -9.534 1.00 12.14 H new ATOM 0 HE3 LYS A 9 5.034 5.355 -10.643 1.00 12.14 H new ATOM 0 HZ1 LYS A 9 4.189 7.561 -11.560 1.00 0.04 H new ATOM 0 HZ2 LYS A 9 3.345 6.159 -12.012 1.00 0.04 H new ATOM 0 HZ3 LYS A 9 2.709 7.184 -10.817 1.00 0.04 H new ATOM 135 N ILE A 10 5.812 1.475 -7.070 1.00 40.30 N ATOM 136 CA ILE A 10 6.835 0.445 -6.933 1.00 72.53 C ATOM 137 C ILE A 10 8.166 1.048 -6.499 1.00 23.42 C ATOM 138 O ILE A 10 8.723 1.909 -7.181 1.00 32.55 O ATOM 139 CB ILE A 10 7.039 -0.325 -8.250 1.00 11.12 C ATOM 140 CG1 ILE A 10 5.707 -0.889 -8.748 1.00 12.50 C ATOM 141 CG2 ILE A 10 8.055 -1.442 -8.060 1.00 24.13 C ATOM 142 CD1 ILE A 10 5.014 -1.779 -7.740 1.00 50.10 C ATOM 0 H ILE A 10 5.430 1.567 -8.011 1.00 40.30 H new ATOM 0 HA ILE A 10 6.485 -0.248 -6.168 1.00 72.53 H new ATOM 0 HB ILE A 10 7.424 0.365 -9.001 1.00 11.12 H new ATOM 0 HG12 ILE A 10 5.045 -0.062 -9.006 1.00 12.50 H new ATOM 0 HG13 ILE A 10 5.881 -1.456 -9.663 1.00 12.50 H new ATOM 0 HG21 ILE A 10 8.188 -1.977 -9.000 1.00 24.13 H new ATOM 0 HG22 ILE A 10 9.009 -1.017 -7.746 1.00 24.13 H new ATOM 0 HG23 ILE A 10 7.697 -2.133 -7.297 1.00 24.13 H new ATOM 0 HD11 ILE A 10 4.076 -2.143 -8.160 1.00 50.10 H new ATOM 0 HD12 ILE A 10 5.657 -2.626 -7.499 1.00 50.10 H new ATOM 0 HD13 ILE A 10 4.809 -1.210 -6.833 1.00 50.10 H new ATOM 153 N GLY A 11 8.674 0.589 -5.359 1.00 3.24 N ATOM 154 CA GLY A 11 9.938 1.094 -4.853 1.00 50.44 C ATOM 155 C GLY A 11 9.759 2.039 -3.682 1.00 32.53 C ATOM 156 O GLY A 11 10.730 2.589 -3.166 1.00 22.21 O ATOM 0 H GLY A 11 8.233 -0.123 -4.777 1.00 3.24 H new ATOM 0 HA2 GLY A 11 10.564 0.256 -4.547 1.00 50.44 H new ATOM 0 HA3 GLY A 11 10.466 1.610 -5.655 1.00 50.44 H new ATOM 160 N GLU A 12 8.511 2.230 -3.263 1.00 11.04 N ATOM 161 CA GLU A 12 8.209 3.117 -2.147 1.00 72.23 C ATOM 162 C GLU A 12 8.225 2.355 -0.825 1.00 10.32 C ATOM 163 O GLU A 12 8.385 1.133 -0.802 1.00 45.23 O ATOM 164 CB GLU A 12 6.844 3.779 -2.348 1.00 14.51 C ATOM 165 CG GLU A 12 6.807 4.754 -3.513 1.00 22.04 C ATOM 166 CD GLU A 12 8.085 5.561 -3.641 1.00 61.32 C ATOM 167 OE1 GLU A 12 8.226 6.565 -2.913 1.00 30.33 O ATOM 168 OE2 GLU A 12 8.943 5.187 -4.467 1.00 54.22 O ATOM 0 H GLU A 12 7.695 1.782 -3.680 1.00 11.04 H new ATOM 0 HA GLU A 12 8.979 3.888 -2.112 1.00 72.23 H new ATOM 0 HB2 GLU A 12 6.094 3.005 -2.509 1.00 14.51 H new ATOM 0 HB3 GLU A 12 6.567 4.306 -1.435 1.00 14.51 H new ATOM 0 HG2 GLU A 12 6.636 4.203 -4.438 1.00 22.04 H new ATOM 0 HG3 GLU A 12 5.964 5.433 -3.386 1.00 22.04 H new ATOM 173 N HIS A 13 8.061 3.083 0.275 1.00 34.15 N ATOM 174 CA HIS A 13 8.058 2.476 1.601 1.00 13.40 C ATOM 175 C HIS A 13 6.637 2.369 2.145 1.00 24.02 C ATOM 176 O HIS A 13 5.813 3.261 1.939 1.00 41.11 O ATOM 177 CB HIS A 13 8.924 3.293 2.561 1.00 24.43 C ATOM 178 CG HIS A 13 9.194 2.600 3.861 1.00 65.33 C ATOM 179 ND1 HIS A 13 8.387 2.741 4.970 1.00 41.43 N ATOM 180 CD2 HIS A 13 10.187 1.756 4.224 1.00 32.34 C ATOM 181 CE1 HIS A 13 8.874 2.014 5.960 1.00 21.35 C ATOM 182 NE2 HIS A 13 9.965 1.406 5.534 1.00 4.21 N ATOM 0 H HIS A 13 7.928 4.094 0.274 1.00 34.15 H new ATOM 0 HA HIS A 13 8.473 1.472 1.515 1.00 13.40 H new ATOM 0 HB2 HIS A 13 9.873 3.521 2.076 1.00 24.43 H new ATOM 0 HB3 HIS A 13 8.432 4.245 2.761 1.00 24.43 H new ATOM 0 HD2 HIS A 13 11.002 1.420 3.600 1.00 32.34 H new ATOM 0 HE1 HIS A 13 8.451 1.931 6.950 1.00 21.35 H new ATOM 0 HE2 HIS A 13 10.549 0.778 6.087 1.00 4.21 H new ATOM 189 N CYS A 14 6.356 1.271 2.839 1.00 31.41 N ATOM 190 CA CYS A 14 5.035 1.046 3.412 1.00 10.24 C ATOM 191 C CYS A 14 5.063 -0.112 4.406 1.00 50.24 C ATOM 192 O CYS A 14 5.806 -1.078 4.229 1.00 1.54 O ATOM 193 CB CYS A 14 4.018 0.757 2.305 1.00 4.14 C ATOM 194 SG CYS A 14 4.578 -0.472 1.084 1.00 62.05 S ATOM 0 H CYS A 14 7.026 0.523 3.018 1.00 31.41 H new ATOM 0 HA CYS A 14 4.738 1.951 3.943 1.00 10.24 H new ATOM 0 HB2 CYS A 14 3.092 0.406 2.760 1.00 4.14 H new ATOM 0 HB3 CYS A 14 3.786 1.688 1.788 1.00 4.14 H new ATOM 198 N TYR A 15 4.249 -0.009 5.450 1.00 63.22 N ATOM 199 CA TYR A 15 4.182 -1.045 6.473 1.00 52.43 C ATOM 200 C TYR A 15 3.156 -2.112 6.101 1.00 65.00 C ATOM 201 O TYR A 15 3.326 -3.290 6.415 1.00 64.51 O ATOM 202 CB TYR A 15 3.827 -0.431 7.828 1.00 54.43 C ATOM 203 CG TYR A 15 4.891 0.496 8.370 1.00 71.20 C ATOM 204 CD1 TYR A 15 6.103 -0.001 8.835 1.00 24.45 C ATOM 205 CD2 TYR A 15 4.686 1.869 8.417 1.00 52.01 C ATOM 206 CE1 TYR A 15 7.078 0.842 9.332 1.00 55.55 C ATOM 207 CE2 TYR A 15 5.656 2.721 8.910 1.00 75.04 C ATOM 208 CZ TYR A 15 6.849 2.203 9.366 1.00 34.32 C ATOM 209 OH TYR A 15 7.818 3.048 9.860 1.00 52.33 O ATOM 0 H TYR A 15 3.626 0.782 5.610 1.00 63.22 H new ATOM 0 HA TYR A 15 5.162 -1.517 6.541 1.00 52.43 H new ATOM 0 HB2 TYR A 15 2.891 0.120 7.734 1.00 54.43 H new ATOM 0 HB3 TYR A 15 3.655 -1.232 8.547 1.00 54.43 H new ATOM 0 HD1 TYR A 15 6.286 -1.065 8.807 1.00 24.45 H new ATOM 0 HD2 TYR A 15 3.752 2.278 8.062 1.00 52.01 H new ATOM 0 HE1 TYR A 15 8.013 0.439 9.692 1.00 55.55 H new ATOM 0 HE2 TYR A 15 5.480 3.786 8.938 1.00 75.04 H new ATOM 0 HH TYR A 15 7.500 3.974 9.813 1.00 52.33 H new ATOM 218 N VAL A 16 2.089 -1.689 5.430 1.00 5.31 N ATOM 219 CA VAL A 16 1.035 -2.607 5.012 1.00 50.32 C ATOM 220 C VAL A 16 0.633 -2.358 3.564 1.00 14.41 C ATOM 221 O VAL A 16 1.120 -1.427 2.924 1.00 52.01 O ATOM 222 CB VAL A 16 -0.209 -2.477 5.911 1.00 40.21 C ATOM 223 CG1 VAL A 16 0.078 -3.015 7.303 1.00 22.04 C ATOM 224 CG2 VAL A 16 -0.670 -1.029 5.974 1.00 52.25 C ATOM 0 H VAL A 16 1.931 -0.717 5.164 1.00 5.31 H new ATOM 0 HA VAL A 16 1.437 -3.616 5.105 1.00 50.32 H new ATOM 0 HB VAL A 16 -1.013 -3.072 5.478 1.00 40.21 H new ATOM 0 HG11 VAL A 16 -0.813 -2.914 7.923 1.00 22.04 H new ATOM 0 HG12 VAL A 16 0.357 -4.067 7.236 1.00 22.04 H new ATOM 0 HG13 VAL A 16 0.896 -2.450 7.750 1.00 22.04 H new ATOM 0 HG21 VAL A 16 -1.550 -0.955 6.613 1.00 52.25 H new ATOM 0 HG22 VAL A 16 0.129 -0.410 6.383 1.00 52.25 H new ATOM 0 HG23 VAL A 16 -0.920 -0.683 4.971 1.00 52.25 H new ATOM 234 N ALA A 17 -0.262 -3.198 3.052 1.00 54.22 N ATOM 235 CA ALA A 17 -0.733 -3.067 1.679 1.00 71.23 C ATOM 236 C ALA A 17 -1.588 -1.816 1.508 1.00 11.43 C ATOM 237 O ALA A 17 -1.455 -1.092 0.522 1.00 13.55 O ATOM 238 CB ALA A 17 -1.518 -4.305 1.271 1.00 54.11 C ATOM 0 H ALA A 17 -0.675 -3.975 3.567 1.00 54.22 H new ATOM 0 HA ALA A 17 0.137 -2.971 1.030 1.00 71.23 H new ATOM 0 HB1 ALA A 17 -1.864 -4.194 0.243 1.00 54.11 H new ATOM 0 HB2 ALA A 17 -0.877 -5.183 1.345 1.00 54.11 H new ATOM 0 HB3 ALA A 17 -2.376 -4.426 1.932 1.00 54.11 H new ATOM 244 N ASP A 18 -2.467 -1.569 2.474 1.00 11.15 N ATOM 245 CA ASP A 18 -3.343 -0.405 2.430 1.00 13.30 C ATOM 246 C ASP A 18 -2.535 0.879 2.268 1.00 11.20 C ATOM 247 O ASP A 18 -2.982 1.827 1.624 1.00 54.21 O ATOM 248 CB ASP A 18 -4.192 -0.332 3.701 1.00 72.23 C ATOM 249 CG ASP A 18 -5.450 0.493 3.510 1.00 15.13 C ATOM 250 OD1 ASP A 18 -5.641 1.469 4.266 1.00 43.33 O ATOM 251 OD2 ASP A 18 -6.243 0.164 2.603 1.00 72.10 O ATOM 0 H ASP A 18 -2.591 -2.160 3.296 1.00 11.15 H new ATOM 0 HA ASP A 18 -4.001 -0.509 1.567 1.00 13.30 H new ATOM 0 HB2 ASP A 18 -4.466 -1.341 4.010 1.00 72.23 H new ATOM 0 HB3 ASP A 18 -3.598 0.098 4.507 1.00 72.23 H new ATOM 255 N GLU A 19 -1.344 0.900 2.858 1.00 44.21 N ATOM 256 CA GLU A 19 -0.475 2.068 2.780 1.00 70.24 C ATOM 257 C GLU A 19 -0.085 2.361 1.334 1.00 54.23 C ATOM 258 O GLU A 19 0.115 3.515 0.954 1.00 72.44 O ATOM 259 CB GLU A 19 0.783 1.853 3.624 1.00 3.45 C ATOM 260 CG GLU A 19 0.561 2.071 5.112 1.00 23.14 C ATOM 261 CD GLU A 19 1.155 3.376 5.605 1.00 31.23 C ATOM 262 OE1 GLU A 19 0.443 4.122 6.309 1.00 34.31 O ATOM 263 OE2 GLU A 19 2.331 3.652 5.288 1.00 21.53 O ATOM 0 H GLU A 19 -0.959 0.122 3.395 1.00 44.21 H new ATOM 0 HA GLU A 19 -1.025 2.924 3.171 1.00 70.24 H new ATOM 0 HB2 GLU A 19 1.149 0.839 3.464 1.00 3.45 H new ATOM 0 HB3 GLU A 19 1.563 2.531 3.278 1.00 3.45 H new ATOM 0 HG2 GLU A 19 -0.509 2.061 5.321 1.00 23.14 H new ATOM 0 HG3 GLU A 19 1.002 1.243 5.667 1.00 23.14 H new ATOM 268 N CYS A 20 0.020 1.307 0.531 1.00 12.33 N ATOM 269 CA CYS A 20 0.387 1.449 -0.873 1.00 35.21 C ATOM 270 C CYS A 20 -0.855 1.609 -1.745 1.00 41.05 C ATOM 271 O CYS A 20 -1.781 0.801 -1.681 1.00 32.13 O ATOM 272 CB CYS A 20 1.195 0.235 -1.336 1.00 53.00 C ATOM 273 SG CYS A 20 2.897 0.628 -1.851 1.00 4.22 S ATOM 0 H CYS A 20 -0.144 0.345 0.829 1.00 12.33 H new ATOM 0 HA CYS A 20 1.000 2.345 -0.974 1.00 35.21 H new ATOM 0 HB2 CYS A 20 1.231 -0.494 -0.527 1.00 53.00 H new ATOM 0 HB3 CYS A 20 0.675 -0.238 -2.169 1.00 53.00 H new ATOM 277 N CYS A 21 -0.866 2.659 -2.561 1.00 12.50 N ATOM 278 CA CYS A 21 -1.992 2.927 -3.447 1.00 4.44 C ATOM 279 C CYS A 21 -2.217 1.765 -4.410 1.00 32.03 C ATOM 280 O CYS A 21 -3.341 1.512 -4.843 1.00 13.43 O ATOM 281 CB CYS A 21 -1.753 4.217 -4.235 1.00 22.10 C ATOM 282 SG CYS A 21 -2.940 5.547 -3.863 1.00 13.22 S ATOM 0 H CYS A 21 -0.107 3.338 -2.626 1.00 12.50 H new ATOM 0 HA CYS A 21 -2.884 3.044 -2.832 1.00 4.44 H new ATOM 0 HB2 CYS A 21 -0.745 4.576 -4.027 1.00 22.10 H new ATOM 0 HB3 CYS A 21 -1.798 3.993 -5.301 1.00 22.10 H new ATOM 286 N SER A 22 -1.139 1.059 -4.738 1.00 34.32 N ATOM 287 CA SER A 22 -1.217 -0.074 -5.652 1.00 4.02 C ATOM 288 C SER A 22 -1.630 -1.342 -4.910 1.00 60.11 C ATOM 289 O SER A 22 -2.044 -2.327 -5.522 1.00 73.30 O ATOM 290 CB SER A 22 0.130 -0.292 -6.346 1.00 64.11 C ATOM 291 OG SER A 22 0.237 -1.612 -6.849 1.00 30.25 O ATOM 0 H SER A 22 -0.202 1.252 -4.384 1.00 34.32 H new ATOM 0 HA SER A 22 -1.973 0.150 -6.405 1.00 4.02 H new ATOM 0 HB2 SER A 22 0.242 0.422 -7.162 1.00 64.11 H new ATOM 0 HB3 SER A 22 0.940 -0.101 -5.642 1.00 64.11 H new ATOM 0 HG SER A 22 1.105 -1.725 -7.289 1.00 30.25 H new ATOM 296 N LYS A 23 -1.515 -1.310 -3.587 1.00 41.13 N ATOM 297 CA LYS A 23 -1.876 -2.454 -2.759 1.00 41.04 C ATOM 298 C LYS A 23 -0.966 -3.643 -3.046 1.00 44.22 C ATOM 299 O LYS A 23 -1.433 -4.770 -3.212 1.00 31.24 O ATOM 300 CB LYS A 23 -3.335 -2.845 -3.003 1.00 71.41 C ATOM 301 CG LYS A 23 -4.304 -1.681 -2.892 1.00 25.51 C ATOM 302 CD LYS A 23 -5.220 -1.829 -1.688 1.00 62.54 C ATOM 303 CE LYS A 23 -6.326 -0.785 -1.696 1.00 63.21 C ATOM 304 NZ LYS A 23 -7.511 -1.227 -0.913 1.00 71.15 N ATOM 0 H LYS A 23 -1.174 -0.503 -3.065 1.00 41.13 H new ATOM 0 HA LYS A 23 -1.752 -2.168 -1.715 1.00 41.04 H new ATOM 0 HB2 LYS A 23 -3.423 -3.286 -3.996 1.00 71.41 H new ATOM 0 HB3 LYS A 23 -3.621 -3.614 -2.286 1.00 71.41 H new ATOM 0 HG2 LYS A 23 -3.746 -0.748 -2.813 1.00 25.51 H new ATOM 0 HG3 LYS A 23 -4.903 -1.618 -3.800 1.00 25.51 H new ATOM 0 HD2 LYS A 23 -5.660 -2.826 -1.685 1.00 62.54 H new ATOM 0 HD3 LYS A 23 -4.637 -1.735 -0.772 1.00 62.54 H new ATOM 0 HE2 LYS A 23 -5.946 0.150 -1.283 1.00 63.21 H new ATOM 0 HE3 LYS A 23 -6.625 -0.581 -2.724 1.00 63.21 H new ATOM 0 HZ1 LYS A 23 -8.242 -0.488 -0.943 1.00 71.15 H new ATOM 0 HZ2 LYS A 23 -7.889 -2.105 -1.322 1.00 71.15 H new ATOM 0 HZ3 LYS A 23 -7.231 -1.397 0.074 1.00 71.15 H new ATOM 314 N ARG A 24 0.337 -3.385 -3.102 1.00 21.34 N ATOM 315 CA ARG A 24 1.313 -4.435 -3.368 1.00 21.41 C ATOM 316 C ARG A 24 2.438 -4.407 -2.337 1.00 0.40 C ATOM 317 O ARG A 24 3.586 -4.727 -2.646 1.00 5.40 O ATOM 318 CB ARG A 24 1.893 -4.276 -4.775 1.00 31.31 C ATOM 319 CG ARG A 24 1.284 -5.224 -5.795 1.00 1.11 C ATOM 320 CD ARG A 24 1.540 -6.678 -5.427 1.00 22.03 C ATOM 321 NE ARG A 24 1.506 -7.552 -6.597 1.00 72.42 N ATOM 322 CZ ARG A 24 0.394 -7.850 -7.260 1.00 51.15 C ATOM 323 NH1 ARG A 24 -0.769 -7.347 -6.870 1.00 0.15 N ATOM 324 NH2 ARG A 24 0.444 -8.653 -8.315 1.00 2.41 N ATOM 0 H ARG A 24 0.741 -2.458 -2.967 1.00 21.34 H new ATOM 0 HA ARG A 24 0.803 -5.396 -3.298 1.00 21.41 H new ATOM 0 HB2 ARG A 24 1.739 -3.250 -5.108 1.00 31.31 H new ATOM 0 HB3 ARG A 24 2.970 -4.441 -4.736 1.00 31.31 H new ATOM 0 HG2 ARG A 24 0.210 -5.048 -5.861 1.00 1.11 H new ATOM 0 HG3 ARG A 24 1.702 -5.018 -6.780 1.00 1.11 H new ATOM 0 HD2 ARG A 24 2.511 -6.763 -4.939 1.00 22.03 H new ATOM 0 HD3 ARG A 24 0.791 -7.007 -4.707 1.00 22.03 H new ATOM 0 HE ARG A 24 2.384 -7.956 -6.923 1.00 72.42 H new ATOM 0 HH11 ARG A 24 -0.811 -6.730 -6.059 1.00 0.15 H new ATOM 0 HH12 ARG A 24 -1.621 -7.577 -7.381 1.00 0.15 H new ATOM 0 HH21 ARG A 24 1.337 -9.042 -8.618 1.00 2.41 H new ATOM 0 HH22 ARG A 24 -0.410 -8.881 -8.823 1.00 2.41 H new ATOM 335 N CYS A 25 2.101 -4.019 -1.112 1.00 43.43 N ATOM 336 CA CYS A 25 3.080 -3.947 -0.035 1.00 42.23 C ATOM 337 C CYS A 25 3.198 -5.288 0.684 1.00 34.23 C ATOM 338 O CYS A 25 2.239 -6.059 0.745 1.00 13.14 O ATOM 339 CB CYS A 25 2.694 -2.853 0.962 1.00 20.11 C ATOM 340 SG CYS A 25 4.097 -2.183 1.912 1.00 35.53 S ATOM 0 H CYS A 25 1.156 -3.749 -0.840 1.00 43.43 H new ATOM 0 HA CYS A 25 4.048 -3.704 -0.474 1.00 42.23 H new ATOM 0 HB2 CYS A 25 2.213 -2.038 0.422 1.00 20.11 H new ATOM 0 HB3 CYS A 25 1.957 -3.254 1.657 1.00 20.11 H new ATOM 344 N LEU A 26 4.379 -5.558 1.230 1.00 72.20 N ATOM 345 CA LEU A 26 4.622 -6.805 1.946 1.00 55.12 C ATOM 346 C LEU A 26 5.313 -6.542 3.281 1.00 43.12 C ATOM 347 O LEU A 26 6.048 -5.565 3.428 1.00 44.04 O ATOM 348 CB LEU A 26 5.477 -7.747 1.095 1.00 32.20 C ATOM 349 CG LEU A 26 5.561 -9.196 1.576 1.00 51.14 C ATOM 350 CD1 LEU A 26 4.317 -9.969 1.163 1.00 41.23 C ATOM 351 CD2 LEU A 26 6.813 -9.867 1.031 1.00 33.40 C ATOM 0 H LEU A 26 5.182 -4.931 1.190 1.00 72.20 H new ATOM 0 HA LEU A 26 3.658 -7.275 2.142 1.00 55.12 H new ATOM 0 HB2 LEU A 26 5.083 -7.745 0.079 1.00 32.20 H new ATOM 0 HB3 LEU A 26 6.488 -7.343 1.045 1.00 32.20 H new ATOM 0 HG LEU A 26 5.618 -9.194 2.665 1.00 51.14 H new ATOM 0 HD11 LEU A 26 4.395 -10.998 1.514 1.00 41.23 H new ATOM 0 HD12 LEU A 26 3.436 -9.501 1.602 1.00 41.23 H new ATOM 0 HD13 LEU A 26 4.228 -9.962 0.077 1.00 41.23 H new ATOM 0 HD21 LEU A 26 6.856 -10.898 1.384 1.00 33.40 H new ATOM 0 HD22 LEU A 26 6.786 -9.857 -0.059 1.00 33.40 H new ATOM 0 HD23 LEU A 26 7.695 -9.328 1.377 1.00 33.40 H new ATOM 362 N PHE A 27 5.072 -7.419 4.249 1.00 74.42 N ATOM 363 CA PHE A 27 5.672 -7.281 5.571 1.00 12.34 C ATOM 364 C PHE A 27 7.183 -7.484 5.507 1.00 21.32 C ATOM 365 O PHE A 27 7.931 -6.912 6.301 1.00 65.24 O ATOM 366 CB PHE A 27 5.052 -8.287 6.543 1.00 52.45 C ATOM 367 CG PHE A 27 3.725 -7.849 7.094 1.00 34.22 C ATOM 368 CD1 PHE A 27 2.665 -7.572 6.246 1.00 21.20 C ATOM 369 CD2 PHE A 27 3.538 -7.714 8.460 1.00 13.42 C ATOM 370 CE1 PHE A 27 1.442 -7.169 6.748 1.00 44.41 C ATOM 371 CE2 PHE A 27 2.317 -7.312 8.970 1.00 22.04 C ATOM 372 CZ PHE A 27 1.269 -7.037 8.112 1.00 55.32 C ATOM 0 H PHE A 27 4.466 -8.233 4.143 1.00 74.42 H new ATOM 0 HA PHE A 27 5.474 -6.271 5.929 1.00 12.34 H new ATOM 0 HB2 PHE A 27 4.927 -9.243 6.034 1.00 52.45 H new ATOM 0 HB3 PHE A 27 5.742 -8.454 7.370 1.00 52.45 H new ATOM 0 HD1 PHE A 27 2.796 -7.672 5.179 1.00 21.20 H new ATOM 0 HD2 PHE A 27 4.355 -7.925 9.134 1.00 13.42 H new ATOM 0 HE1 PHE A 27 0.624 -6.958 6.076 1.00 44.41 H new ATOM 0 HE2 PHE A 27 2.183 -7.213 10.037 1.00 22.04 H new ATOM 0 HZ PHE A 27 0.316 -6.719 8.508 1.00 55.32 H new ATOM 381 N TYR A 28 7.624 -8.302 4.558 1.00 24.15 N ATOM 382 CA TYR A 28 9.045 -8.582 4.391 1.00 42.22 C ATOM 383 C TYR A 28 9.707 -7.536 3.500 1.00 64.32 C ATOM 384 O TYR A 28 10.735 -6.963 3.856 1.00 52.42 O ATOM 385 CB TYR A 28 9.244 -9.977 3.794 1.00 43.05 C ATOM 386 CG TYR A 28 8.774 -11.096 4.696 1.00 43.42 C ATOM 387 CD1 TYR A 28 9.613 -11.628 5.668 1.00 4.24 C ATOM 388 CD2 TYR A 28 7.494 -11.620 4.578 1.00 65.43 C ATOM 389 CE1 TYR A 28 9.190 -12.651 6.495 1.00 31.12 C ATOM 390 CE2 TYR A 28 7.061 -12.640 5.401 1.00 14.24 C ATOM 391 CZ TYR A 28 7.913 -13.153 6.358 1.00 71.23 C ATOM 392 OH TYR A 28 7.485 -14.171 7.179 1.00 4.41 O ATOM 0 H TYR A 28 7.018 -8.783 3.893 1.00 24.15 H new ATOM 0 HA TYR A 28 9.514 -8.543 5.374 1.00 42.22 H new ATOM 0 HB2 TYR A 28 8.709 -10.037 2.846 1.00 43.05 H new ATOM 0 HB3 TYR A 28 10.302 -10.120 3.572 1.00 43.05 H new ATOM 0 HD1 TYR A 28 10.613 -11.235 5.779 1.00 4.24 H new ATOM 0 HD2 TYR A 28 6.825 -11.223 3.829 1.00 65.43 H new ATOM 0 HE1 TYR A 28 9.855 -13.055 7.244 1.00 31.12 H new ATOM 0 HE2 TYR A 28 6.061 -13.034 5.297 1.00 14.24 H new ATOM 0 HH TYR A 28 6.561 -14.408 6.952 1.00 4.41 H new ATOM 401 N ALA A 29 9.107 -7.292 2.340 1.00 61.12 N ATOM 402 CA ALA A 29 9.635 -6.312 1.398 1.00 21.34 C ATOM 403 C ALA A 29 9.505 -4.896 1.948 1.00 24.31 C ATOM 404 O ALA A 29 10.412 -4.077 1.799 1.00 43.14 O ATOM 405 CB ALA A 29 8.919 -6.428 0.060 1.00 2.14 C ATOM 0 H ALA A 29 8.255 -7.759 2.030 1.00 61.12 H new ATOM 0 HA ALA A 29 10.695 -6.520 1.251 1.00 21.34 H new ATOM 0 HB1 ALA A 29 9.323 -5.691 -0.634 1.00 2.14 H new ATOM 0 HB2 ALA A 29 9.067 -7.428 -0.347 1.00 2.14 H new ATOM 0 HB3 ALA A 29 7.853 -6.248 0.201 1.00 2.14 H new ATOM 411 N ALA A 30 8.372 -4.615 2.583 1.00 71.15 N ATOM 412 CA ALA A 30 8.126 -3.297 3.157 1.00 3.03 C ATOM 413 C ALA A 30 8.106 -2.223 2.076 1.00 12.05 C ATOM 414 O ALA A 30 8.100 -1.028 2.372 1.00 32.52 O ATOM 415 CB ALA A 30 9.178 -2.973 4.206 1.00 72.24 C ATOM 0 H ALA A 30 7.611 -5.281 2.713 1.00 71.15 H new ATOM 0 HA ALA A 30 7.146 -3.313 3.635 1.00 3.03 H new ATOM 0 HB1 ALA A 30 8.982 -1.986 4.626 1.00 72.24 H new ATOM 0 HB2 ALA A 30 9.142 -3.719 5.000 1.00 72.24 H new ATOM 0 HB3 ALA A 30 10.166 -2.981 3.745 1.00 72.24 H new ATOM 421 N LYS A 31 8.095 -2.654 0.819 1.00 34.24 N ATOM 422 CA LYS A 31 8.076 -1.729 -0.309 1.00 22.22 C ATOM 423 C LYS A 31 7.181 -2.255 -1.427 1.00 22.40 C ATOM 424 O LYS A 31 7.174 -3.450 -1.721 1.00 1.32 O ATOM 425 CB LYS A 31 9.495 -1.508 -0.837 1.00 4.22 C ATOM 426 CG LYS A 31 9.538 -0.982 -2.262 1.00 12.42 C ATOM 427 CD LYS A 31 9.667 -2.113 -3.269 1.00 61.02 C ATOM 428 CE LYS A 31 11.103 -2.604 -3.374 1.00 62.44 C ATOM 429 NZ LYS A 31 11.197 -4.081 -3.214 1.00 3.33 N ATOM 0 H LYS A 31 8.099 -3.639 0.555 1.00 34.24 H new ATOM 0 HA LYS A 31 7.673 -0.778 0.038 1.00 22.22 H new ATOM 0 HB2 LYS A 31 10.012 -0.805 -0.183 1.00 4.22 H new ATOM 0 HB3 LYS A 31 10.042 -2.449 -0.789 1.00 4.22 H new ATOM 0 HG2 LYS A 31 8.632 -0.411 -2.468 1.00 12.42 H new ATOM 0 HG3 LYS A 31 10.378 -0.297 -2.373 1.00 12.42 H new ATOM 0 HD2 LYS A 31 9.019 -2.939 -2.975 1.00 61.02 H new ATOM 0 HD3 LYS A 31 9.325 -1.772 -4.246 1.00 61.02 H new ATOM 0 HE2 LYS A 31 11.515 -2.317 -4.341 1.00 62.44 H new ATOM 0 HE3 LYS A 31 11.710 -2.117 -2.611 1.00 62.44 H new ATOM 0 HZ1 LYS A 31 12.122 -4.328 -2.808 1.00 3.33 H new ATOM 0 HZ2 LYS A 31 10.442 -4.410 -2.580 1.00 3.33 H new ATOM 0 HZ3 LYS A 31 11.093 -4.538 -4.142 1.00 3.33 H new ATOM 439 N CYS A 32 6.428 -1.353 -2.048 1.00 14.43 N ATOM 440 CA CYS A 32 5.531 -1.724 -3.136 1.00 55.04 C ATOM 441 C CYS A 32 6.272 -2.523 -4.204 1.00 42.15 C ATOM 442 O CYS A 32 7.155 -2.001 -4.884 1.00 65.14 O ATOM 443 CB CYS A 32 4.907 -0.474 -3.759 1.00 44.43 C ATOM 444 SG CYS A 32 3.098 -0.370 -3.563 1.00 21.24 S ATOM 0 H CYS A 32 6.421 -0.360 -1.816 1.00 14.43 H new ATOM 0 HA CYS A 32 4.740 -2.350 -2.724 1.00 55.04 H new ATOM 0 HB2 CYS A 32 5.362 0.409 -3.310 1.00 44.43 H new ATOM 0 HB3 CYS A 32 5.149 -0.451 -4.822 1.00 44.43 H new ATOM 448 N VAL A 33 5.905 -3.793 -4.346 1.00 0.54 N ATOM 449 CA VAL A 33 6.534 -4.664 -5.332 1.00 35.11 C ATOM 450 C VAL A 33 5.523 -5.134 -6.373 1.00 1.55 C ATOM 451 O VAL A 33 4.422 -5.566 -6.034 1.00 55.23 O ATOM 452 CB VAL A 33 7.177 -5.894 -4.666 1.00 31.33 C ATOM 453 CG1 VAL A 33 8.538 -5.537 -4.089 1.00 71.52 C ATOM 454 CG2 VAL A 33 6.262 -6.454 -3.587 1.00 3.21 C ATOM 0 H VAL A 33 5.176 -4.241 -3.791 1.00 0.54 H new ATOM 0 HA VAL A 33 7.312 -4.078 -5.822 1.00 35.11 H new ATOM 0 HB VAL A 33 7.320 -6.664 -5.424 1.00 31.33 H new ATOM 0 HG11 VAL A 33 8.978 -6.418 -3.622 1.00 71.52 H new ATOM 0 HG12 VAL A 33 9.191 -5.185 -4.888 1.00 71.52 H new ATOM 0 HG13 VAL A 33 8.422 -4.751 -3.343 1.00 71.52 H new ATOM 0 HG21 VAL A 33 6.732 -7.323 -3.126 1.00 3.21 H new ATOM 0 HG22 VAL A 33 6.086 -5.692 -2.828 1.00 3.21 H new ATOM 0 HG23 VAL A 33 5.312 -6.749 -4.033 1.00 3.21 H new ATOM 464 N SER A 34 5.906 -5.047 -7.643 1.00 34.41 N ATOM 465 CA SER A 34 5.032 -5.460 -8.735 1.00 1.31 C ATOM 466 C SER A 34 4.548 -6.892 -8.530 1.00 14.03 C ATOM 467 O SER A 34 5.327 -7.778 -8.181 1.00 14.13 O ATOM 468 CB SER A 34 5.764 -5.343 -10.073 1.00 75.31 C ATOM 469 OG SER A 34 5.099 -6.080 -11.084 1.00 52.24 O ATOM 0 H SER A 34 6.816 -4.694 -7.941 1.00 34.41 H new ATOM 0 HA SER A 34 4.165 -4.800 -8.745 1.00 1.31 H new ATOM 0 HB2 SER A 34 5.829 -4.295 -10.365 1.00 75.31 H new ATOM 0 HB3 SER A 34 6.786 -5.707 -9.965 1.00 75.31 H new ATOM 0 HG SER A 34 5.586 -5.988 -11.930 1.00 52.24 H new TER 474 SER A 34