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+ -121:sc= 0.0821 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.00574 USER MOD Single : A 2 GLN : amide:sc=-0.00132 X(o=-0.0013,f=-0.087) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 GLN : amide:sc= -0.131 K(o=-0.13,f=-2) USER MOD Single : A 8 LYS NZ :NH3+ -106:sc= 0.688 (180deg=-0.222) 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=-0.028) 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 -10.939 15.506 -15.556 1.00 20.23 N ATOM 2 CA SER A 1 -9.760 15.077 -14.814 1.00 22.42 C ATOM 3 C SER A 1 -8.971 14.035 -15.603 1.00 24.24 C ATOM 4 O SER A 1 -9.512 13.372 -16.487 1.00 74.52 O ATOM 5 CB SER A 1 -10.167 14.503 -13.456 1.00 70.21 C ATOM 6 OG SER A 1 -11.205 13.548 -13.596 1.00 65.24 O ATOM 0 H1 SER A 1 -10.894 16.533 -15.715 1.00 20.23 H new ATOM 0 H2 SER A 1 -10.971 15.015 -16.472 1.00 20.23 H new ATOM 0 H3 SER A 1 -11.795 15.277 -15.011 1.00 20.23 H new ATOM 0 HA SER A 1 -9.123 15.948 -14.657 1.00 22.42 H new ATOM 0 HB2 SER A 1 -9.303 14.039 -12.980 1.00 70.21 H new ATOM 0 HB3 SER A 1 -10.496 15.309 -12.801 1.00 70.21 H new ATOM 0 HG SER A 1 -11.446 13.195 -12.714 1.00 65.24 H new ATOM 11 N GLN A 2 -7.691 13.898 -15.275 1.00 45.43 N ATOM 12 CA GLN A 2 -6.827 12.938 -15.952 1.00 14.41 C ATOM 13 C GLN A 2 -6.239 11.940 -14.960 1.00 33.32 C ATOM 14 O GLN A 2 -6.615 10.769 -14.949 1.00 3.31 O ATOM 15 CB GLN A 2 -5.702 13.666 -16.691 1.00 32.44 C ATOM 16 CG GLN A 2 -6.134 14.263 -18.021 1.00 25.24 C ATOM 17 CD GLN A 2 -5.005 14.311 -19.033 1.00 25.03 C ATOM 18 OE1 GLN A 2 -4.419 13.283 -19.374 1.00 53.12 O ATOM 19 NE2 GLN A 2 -4.696 15.508 -19.517 1.00 63.52 N ATOM 0 H GLN A 2 -7.229 14.440 -14.545 1.00 45.43 H new ATOM 0 HA GLN A 2 -7.431 12.389 -16.675 1.00 14.41 H new ATOM 0 HB2 GLN A 2 -5.315 14.461 -16.054 1.00 32.44 H new ATOM 0 HB3 GLN A 2 -4.882 12.969 -16.864 1.00 32.44 H new ATOM 0 HG2 GLN A 2 -6.957 13.676 -18.428 1.00 25.24 H new ATOM 0 HG3 GLN A 2 -6.513 15.272 -17.856 1.00 25.24 H new ATOM 0 HE21 GLN A 2 -5.209 16.332 -19.205 1.00 63.52 H new ATOM 0 HE22 GLN A 2 -3.945 15.603 -20.201 1.00 63.52 H new ATOM 26 N GLU A 3 -5.313 12.413 -14.132 1.00 52.11 N ATOM 27 CA GLU A 3 -4.673 11.560 -13.137 1.00 73.52 C ATOM 28 C GLU A 3 -4.760 12.185 -11.748 1.00 72.20 C ATOM 29 O GLU A 3 -5.321 13.267 -11.577 1.00 62.44 O ATOM 30 CB GLU A 3 -3.207 11.318 -13.508 1.00 14.41 C ATOM 31 CG GLU A 3 -2.399 12.596 -13.658 1.00 32.41 C ATOM 32 CD GLU A 3 -1.305 12.475 -14.702 1.00 30.12 C ATOM 33 OE1 GLU A 3 -1.505 12.970 -15.831 1.00 21.14 O ATOM 34 OE2 GLU A 3 -0.249 11.885 -14.390 1.00 51.31 O ATOM 0 H GLU A 3 -4.990 13.380 -14.130 1.00 52.11 H new ATOM 0 HA GLU A 3 -5.199 10.606 -13.121 1.00 73.52 H new ATOM 0 HB2 GLU A 3 -2.745 10.694 -12.743 1.00 14.41 H new ATOM 0 HB3 GLU A 3 -3.165 10.759 -14.443 1.00 14.41 H new ATOM 0 HG2 GLU A 3 -3.067 13.414 -13.930 1.00 32.41 H new ATOM 0 HG3 GLU A 3 -1.953 12.854 -12.698 1.00 32.41 H new ATOM 39 N GLN A 4 -4.203 11.494 -10.759 1.00 63.22 N ATOM 40 CA GLN A 4 -4.218 11.979 -9.384 1.00 12.35 C ATOM 41 C GLN A 4 -2.855 11.799 -8.727 1.00 24.53 C ATOM 42 O GLN A 4 -1.883 11.421 -9.382 1.00 34.34 O ATOM 43 CB GLN A 4 -5.290 11.246 -8.575 1.00 41.33 C ATOM 44 CG GLN A 4 -5.012 9.762 -8.401 1.00 54.21 C ATOM 45 CD GLN A 4 -6.281 8.933 -8.346 1.00 41.23 C ATOM 46 OE1 GLN A 4 -6.703 8.357 -9.348 1.00 73.35 O ATOM 47 NE2 GLN A 4 -6.896 8.870 -7.172 1.00 23.12 N ATOM 0 H GLN A 4 -3.735 10.596 -10.884 1.00 63.22 H new ATOM 0 HA GLN A 4 -4.452 13.043 -9.403 1.00 12.35 H new ATOM 0 HB2 GLN A 4 -5.372 11.710 -7.592 1.00 41.33 H new ATOM 0 HB3 GLN A 4 -6.254 11.371 -9.068 1.00 41.33 H new ATOM 0 HG2 GLN A 4 -4.390 9.414 -9.226 1.00 54.21 H new ATOM 0 HG3 GLN A 4 -4.442 9.608 -7.485 1.00 54.21 H new ATOM 0 HE21 GLN A 4 -6.510 9.364 -6.367 1.00 23.12 H new ATOM 0 HE22 GLN A 4 -7.754 8.328 -7.074 1.00 23.12 H new ATOM 54 N ARG A 5 -2.789 12.070 -7.428 1.00 24.24 N ATOM 55 CA ARG A 5 -1.543 11.938 -6.682 1.00 44.30 C ATOM 56 C ARG A 5 -1.395 10.530 -6.115 1.00 24.55 C ATOM 57 O ARG A 5 -2.208 10.089 -5.302 1.00 51.44 O ATOM 58 CB ARG A 5 -1.491 12.964 -5.548 1.00 4.14 C ATOM 59 CG ARG A 5 -0.179 12.958 -4.781 1.00 0.41 C ATOM 60 CD ARG A 5 0.893 13.757 -5.507 1.00 24.14 C ATOM 61 NE ARG A 5 1.867 12.891 -6.165 1.00 54.10 N ATOM 62 CZ ARG A 5 2.862 12.286 -5.528 1.00 32.21 C ATOM 63 NH1 ARG A 5 3.014 12.449 -4.221 1.00 2.14 N ATOM 64 NH2 ARG A 5 3.708 11.514 -6.198 1.00 62.22 N ATOM 0 H ARG A 5 -3.584 12.382 -6.870 1.00 24.24 H new ATOM 0 HA ARG A 5 -0.717 12.123 -7.369 1.00 44.30 H new ATOM 0 HB2 ARG A 5 -1.656 13.959 -5.962 1.00 4.14 H new ATOM 0 HB3 ARG A 5 -2.309 12.768 -4.854 1.00 4.14 H new ATOM 0 HG2 ARG A 5 -0.335 13.376 -3.787 1.00 0.41 H new ATOM 0 HG3 ARG A 5 0.160 11.931 -4.645 1.00 0.41 H new ATOM 0 HD2 ARG A 5 0.424 14.404 -6.248 1.00 24.14 H new ATOM 0 HD3 ARG A 5 1.406 14.406 -4.797 1.00 24.14 H new ATOM 0 HE ARG A 5 1.778 12.743 -7.170 1.00 54.10 H new ATOM 0 HH11 ARG A 5 2.365 13.041 -3.702 1.00 2.14 H new ATOM 0 HH12 ARG A 5 3.780 11.983 -3.735 1.00 2.14 H new ATOM 0 HH21 ARG A 5 3.594 11.385 -7.203 1.00 62.22 H new ATOM 0 HH22 ARG A 5 4.472 11.049 -5.708 1.00 62.22 H new ATOM 75 N GLN A 6 -0.353 9.828 -6.549 1.00 43.01 N ATOM 76 CA GLN A 6 -0.101 8.468 -6.086 1.00 41.20 C ATOM 77 C GLN A 6 0.352 8.466 -4.629 1.00 73.21 C ATOM 78 O GLN A 6 0.915 9.447 -4.141 1.00 30.24 O ATOM 79 CB GLN A 6 0.957 7.797 -6.962 1.00 64.51 C ATOM 80 CG GLN A 6 0.512 7.586 -8.400 1.00 0.03 C ATOM 81 CD GLN A 6 1.268 8.461 -9.380 1.00 2.42 C ATOM 82 OE1 GLN A 6 1.765 9.529 -9.020 1.00 32.32 O ATOM 83 NE2 GLN A 6 1.359 8.012 -10.626 1.00 71.04 N ATOM 0 H GLN A 6 0.330 10.178 -7.220 1.00 43.01 H new ATOM 0 HA GLN A 6 -1.032 7.906 -6.160 1.00 41.20 H new ATOM 0 HB2 GLN A 6 1.861 8.406 -6.956 1.00 64.51 H new ATOM 0 HB3 GLN A 6 1.219 6.833 -6.526 1.00 64.51 H new ATOM 0 HG2 GLN A 6 0.653 6.539 -8.670 1.00 0.03 H new ATOM 0 HG3 GLN A 6 -0.555 7.795 -8.480 1.00 0.03 H new ATOM 0 HE21 GLN A 6 0.932 7.121 -10.880 1.00 71.04 H new ATOM 0 HE22 GLN A 6 1.856 8.558 -11.330 1.00 71.04 H new ATOM 90 N CYS A 7 0.102 7.357 -3.939 1.00 60.03 N ATOM 91 CA CYS A 7 0.483 7.226 -2.538 1.00 74.31 C ATOM 92 C CYS A 7 1.873 6.611 -2.408 1.00 41.34 C ATOM 93 O CYS A 7 2.751 7.167 -1.747 1.00 64.53 O ATOM 94 CB CYS A 7 -0.538 6.369 -1.789 1.00 2.41 C ATOM 95 SG CYS A 7 -2.268 6.690 -2.261 1.00 33.30 S ATOM 0 H CYS A 7 -0.363 6.537 -4.328 1.00 60.03 H new ATOM 0 HA CYS A 7 0.503 8.223 -2.098 1.00 74.31 H new ATOM 0 HB2 CYS A 7 -0.313 5.317 -1.967 1.00 2.41 H new ATOM 0 HB3 CYS A 7 -0.427 6.543 -0.719 1.00 2.41 H new ATOM 99 N LYS A 8 2.067 5.460 -3.043 1.00 50.45 N ATOM 100 CA LYS A 8 3.351 4.769 -3.000 1.00 14.15 C ATOM 101 C LYS A 8 3.471 3.773 -4.150 1.00 2.44 C ATOM 102 O LYS A 8 2.876 2.696 -4.116 1.00 25.42 O ATOM 103 CB LYS A 8 3.517 4.042 -1.664 1.00 45.25 C ATOM 104 CG LYS A 8 4.109 4.912 -0.568 1.00 75.25 C ATOM 105 CD LYS A 8 3.055 5.328 0.445 1.00 73.21 C ATOM 106 CE LYS A 8 3.316 4.706 1.808 1.00 61.44 C ATOM 107 NZ LYS A 8 4.323 5.480 2.586 1.00 64.31 N ATOM 0 H LYS A 8 1.351 4.986 -3.594 1.00 50.45 H new ATOM 0 HA LYS A 8 4.140 5.514 -3.103 1.00 14.15 H new ATOM 0 HB2 LYS A 8 2.545 3.672 -1.338 1.00 45.25 H new ATOM 0 HB3 LYS A 8 4.156 3.171 -1.811 1.00 45.25 H new ATOM 0 HG2 LYS A 8 4.907 4.368 -0.062 1.00 75.25 H new ATOM 0 HG3 LYS A 8 4.560 5.800 -1.011 1.00 75.25 H new ATOM 0 HD2 LYS A 8 3.045 6.414 0.536 1.00 73.21 H new ATOM 0 HD3 LYS A 8 2.069 5.028 0.090 1.00 73.21 H new ATOM 0 HE2 LYS A 8 2.383 4.656 2.369 1.00 61.44 H new ATOM 0 HE3 LYS A 8 3.665 3.682 1.679 1.00 61.44 H new ATOM 0 HZ1 LYS A 8 5.224 4.961 2.600 1.00 64.31 H new ATOM 0 HZ2 LYS A 8 4.466 6.409 2.141 1.00 64.31 H new ATOM 0 HZ3 LYS A 8 3.983 5.611 3.560 1.00 64.31 H new ATOM 117 N LYS A 9 4.242 4.141 -5.167 1.00 61.20 N ATOM 118 CA LYS A 9 4.443 3.280 -6.327 1.00 45.51 C ATOM 119 C LYS A 9 5.511 2.228 -6.044 1.00 53.34 C ATOM 120 O LYS A 9 5.987 2.100 -4.916 1.00 41.01 O ATOM 121 CB LYS A 9 4.844 4.116 -7.544 1.00 23.31 C ATOM 122 CG LYS A 9 3.868 5.234 -7.862 1.00 74.25 C ATOM 123 CD LYS A 9 3.462 5.220 -9.328 1.00 43.40 C ATOM 124 CE LYS A 9 4.634 5.566 -10.233 1.00 12.14 C ATOM 125 NZ LYS A 9 4.180 6.009 -11.581 1.00 0.04 N ATOM 0 H LYS A 9 4.739 5.031 -5.212 1.00 61.20 H new ATOM 0 HA LYS A 9 3.503 2.770 -6.538 1.00 45.51 H new ATOM 0 HB2 LYS A 9 5.831 4.545 -7.370 1.00 23.31 H new ATOM 0 HB3 LYS A 9 4.929 3.462 -8.412 1.00 23.31 H new ATOM 0 HG2 LYS A 9 2.981 5.133 -7.237 1.00 74.25 H new ATOM 0 HG3 LYS A 9 4.322 6.195 -7.618 1.00 74.25 H new ATOM 0 HD2 LYS A 9 3.076 4.235 -9.591 1.00 43.40 H new ATOM 0 HD3 LYS A 9 2.653 5.932 -9.490 1.00 43.40 H new ATOM 0 HE2 LYS A 9 5.228 6.355 -9.772 1.00 12.14 H new ATOM 0 HE3 LYS A 9 5.283 4.696 -10.336 1.00 12.14 H new ATOM 0 HZ1 LYS A 9 5.007 6.236 -12.169 1.00 0.04 H new ATOM 0 HZ2 LYS A 9 3.634 5.247 -12.031 1.00 0.04 H new ATOM 0 HZ3 LYS A 9 3.581 6.854 -11.485 1.00 0.04 H new ATOM 135 N ILE A 10 5.884 1.478 -7.076 1.00 40.30 N ATOM 136 CA ILE A 10 6.896 0.440 -6.938 1.00 72.53 C ATOM 137 C ILE A 10 8.235 1.031 -6.508 1.00 23.42 C ATOM 138 O ILE A 10 8.798 1.885 -7.193 1.00 32.55 O ATOM 139 CB ILE A 10 7.090 -0.336 -8.255 1.00 11.12 C ATOM 140 CG1 ILE A 10 5.752 -0.891 -8.747 1.00 12.50 C ATOM 141 CG2 ILE A 10 8.098 -1.459 -8.065 1.00 24.13 C ATOM 142 CD1 ILE A 10 5.054 -1.771 -7.734 1.00 50.10 C ATOM 0 H ILE A 10 5.500 1.571 -8.016 1.00 40.30 H new ATOM 0 HA ILE A 10 6.541 -0.247 -6.170 1.00 72.53 H new ATOM 0 HB ILE A 10 7.477 0.349 -9.009 1.00 11.12 H new ATOM 0 HG12 ILE A 10 5.097 -0.060 -9.007 1.00 12.50 H new ATOM 0 HG13 ILE A 10 5.919 -1.463 -9.660 1.00 12.50 H new ATOM 0 HG21 ILE A 10 8.224 -1.998 -9.004 1.00 24.13 H new ATOM 0 HG22 ILE A 10 9.056 -1.040 -7.756 1.00 24.13 H new ATOM 0 HG23 ILE A 10 7.738 -2.145 -7.299 1.00 24.13 H new ATOM 0 HD11 ILE A 10 4.112 -2.129 -8.150 1.00 50.10 H new ATOM 0 HD12 ILE A 10 5.690 -2.622 -7.492 1.00 50.10 H new ATOM 0 HD13 ILE A 10 4.856 -1.197 -6.829 1.00 50.10 H new ATOM 153 N GLY A 11 8.741 0.569 -5.369 1.00 3.24 N ATOM 154 CA GLY A 11 10.011 1.061 -4.867 1.00 50.44 C ATOM 155 C GLY A 11 9.843 2.010 -3.697 1.00 32.53 C ATOM 156 O GLY A 11 10.822 2.548 -3.181 1.00 22.21 O ATOM 0 H GLY A 11 8.294 -0.137 -4.785 1.00 3.24 H new ATOM 0 HA2 GLY A 11 10.629 0.217 -4.560 1.00 50.44 H new ATOM 0 HA3 GLY A 11 10.543 1.570 -5.670 1.00 50.44 H new ATOM 160 N GLU A 12 8.599 2.217 -3.278 1.00 11.04 N ATOM 161 CA GLU A 12 8.306 3.110 -2.163 1.00 72.23 C ATOM 162 C GLU A 12 8.319 2.349 -0.840 1.00 10.32 C ATOM 163 O GLU A 12 8.462 1.126 -0.816 1.00 45.23 O ATOM 164 CB GLU A 12 6.949 3.786 -2.363 1.00 14.51 C ATOM 165 CG GLU A 12 6.920 4.759 -3.531 1.00 22.04 C ATOM 166 CD GLU A 12 8.205 5.551 -3.662 1.00 61.32 C ATOM 167 OE1 GLU A 12 9.008 5.233 -4.565 1.00 30.33 O ATOM 168 OE2 GLU A 12 8.410 6.488 -2.863 1.00 54.22 O ATOM 0 H GLU A 12 7.777 1.778 -3.694 1.00 11.04 H new ATOM 0 HA GLU A 12 9.082 3.875 -2.130 1.00 72.23 H new ATOM 0 HB2 GLU A 12 6.190 3.019 -2.521 1.00 14.51 H new ATOM 0 HB3 GLU A 12 6.680 4.318 -1.451 1.00 14.51 H new ATOM 0 HG2 GLU A 12 6.742 4.207 -4.454 1.00 22.04 H new ATOM 0 HG3 GLU A 12 6.084 5.448 -3.405 1.00 22.04 H new ATOM 173 N HIS A 13 8.167 3.083 0.259 1.00 34.15 N ATOM 174 CA HIS A 13 8.160 2.478 1.586 1.00 13.40 C ATOM 175 C HIS A 13 6.738 2.385 2.132 1.00 24.02 C ATOM 176 O HIS A 13 5.921 3.282 1.924 1.00 41.11 O ATOM 177 CB HIS A 13 9.034 3.289 2.543 1.00 24.43 C ATOM 178 CG HIS A 13 9.299 2.595 3.843 1.00 65.33 C ATOM 179 ND1 HIS A 13 8.497 2.746 4.955 1.00 41.43 N ATOM 180 CD2 HIS A 13 10.286 1.742 4.207 1.00 32.34 C ATOM 181 CE1 HIS A 13 8.978 2.017 5.945 1.00 21.35 C ATOM 182 NE2 HIS A 13 10.063 1.397 5.517 1.00 4.21 N ATOM 0 H HIS A 13 8.047 4.096 0.256 1.00 34.15 H new ATOM 0 HA HIS A 13 8.565 1.470 1.502 1.00 13.40 H new ATOM 0 HB2 HIS A 13 9.985 3.508 2.057 1.00 24.43 H new ATOM 0 HB3 HIS A 13 8.550 4.245 2.743 1.00 24.43 H new ATOM 0 HD2 HIS A 13 11.097 1.397 3.583 1.00 32.34 H new ATOM 0 HE1 HIS A 13 8.556 1.941 6.936 1.00 21.35 H new ATOM 0 HE2 HIS A 13 10.641 0.765 6.070 1.00 4.21 H new ATOM 189 N CYS A 14 6.449 1.293 2.833 1.00 31.41 N ATOM 190 CA CYS A 14 5.127 1.081 3.409 1.00 10.24 C ATOM 191 C CYS A 14 5.146 -0.076 4.404 1.00 50.24 C ATOM 192 O CYS A 14 5.880 -1.048 4.227 1.00 1.54 O ATOM 193 CB CYS A 14 4.106 0.801 2.304 1.00 4.14 C ATOM 194 SG CYS A 14 4.650 -0.439 1.085 1.00 62.05 S ATOM 0 H CYS A 14 7.114 0.541 3.016 1.00 31.41 H new ATOM 0 HA CYS A 14 4.839 1.989 3.940 1.00 10.24 H new ATOM 0 HB2 CYS A 14 3.176 0.462 2.761 1.00 4.14 H new ATOM 0 HB3 CYS A 14 3.885 1.733 1.784 1.00 4.14 H new ATOM 198 N TYR A 15 4.334 0.038 5.450 1.00 63.22 N ATOM 199 CA TYR A 15 4.260 -0.997 6.475 1.00 52.43 C ATOM 200 C TYR A 15 3.222 -2.052 6.108 1.00 65.00 C ATOM 201 O TYR A 15 3.380 -3.231 6.423 1.00 64.51 O ATOM 202 CB TYR A 15 3.916 -0.377 7.831 1.00 54.43 C ATOM 203 CG TYR A 15 4.975 0.570 8.350 1.00 71.20 C ATOM 204 CD1 TYR A 15 4.818 1.947 8.243 1.00 24.45 C ATOM 205 CD2 TYR A 15 6.133 0.087 8.947 1.00 52.01 C ATOM 206 CE1 TYR A 15 5.783 2.814 8.716 1.00 55.55 C ATOM 207 CE2 TYR A 15 7.103 0.948 9.423 1.00 75.04 C ATOM 208 CZ TYR A 15 6.923 2.311 9.305 1.00 34.32 C ATOM 209 OH TYR A 15 7.888 3.171 9.777 1.00 52.33 O ATOM 0 H TYR A 15 3.719 0.836 5.610 1.00 63.22 H new ATOM 0 HA TYR A 15 5.235 -1.479 6.540 1.00 52.43 H new ATOM 0 HB2 TYR A 15 2.971 0.159 7.747 1.00 54.43 H new ATOM 0 HB3 TYR A 15 3.766 -1.175 8.558 1.00 54.43 H new ATOM 0 HD1 TYR A 15 3.926 2.345 7.782 1.00 24.45 H new ATOM 0 HD2 TYR A 15 6.277 -0.979 9.040 1.00 52.01 H new ATOM 0 HE1 TYR A 15 5.645 3.881 8.625 1.00 55.55 H new ATOM 0 HE2 TYR A 15 7.997 0.556 9.885 1.00 75.04 H new ATOM 0 HH TYR A 15 8.626 2.655 10.163 1.00 52.33 H new ATOM 218 N VAL A 16 2.158 -1.620 5.438 1.00 5.31 N ATOM 219 CA VAL A 16 1.093 -2.527 5.026 1.00 50.32 C ATOM 220 C VAL A 16 0.690 -2.278 3.578 1.00 14.41 C ATOM 221 O VAL A 16 1.185 -1.353 2.935 1.00 52.01 O ATOM 222 CB VAL A 16 -0.148 -2.382 5.926 1.00 40.21 C ATOM 223 CG1 VAL A 16 0.124 -2.956 7.308 1.00 22.04 C ATOM 224 CG2 VAL A 16 -0.569 -0.923 6.021 1.00 52.25 C ATOM 0 H VAL A 16 2.011 -0.647 5.169 1.00 5.31 H new ATOM 0 HA VAL A 16 1.485 -3.540 5.122 1.00 50.32 H new ATOM 0 HB VAL A 16 -0.967 -2.946 5.479 1.00 40.21 H new ATOM 0 HG11 VAL A 16 -0.764 -2.844 7.930 1.00 22.04 H new ATOM 0 HG12 VAL A 16 0.375 -4.013 7.220 1.00 22.04 H new ATOM 0 HG13 VAL A 16 0.957 -2.422 7.766 1.00 22.04 H new ATOM 0 HG21 VAL A 16 -1.447 -0.839 6.661 1.00 52.25 H new ATOM 0 HG22 VAL A 16 0.246 -0.336 6.444 1.00 52.25 H new ATOM 0 HG23 VAL A 16 -0.808 -0.548 5.026 1.00 52.25 H new ATOM 234 N ALA A 17 -0.214 -3.109 3.070 1.00 54.22 N ATOM 235 CA ALA A 17 -0.688 -2.977 1.697 1.00 71.23 C ATOM 236 C ALA A 17 -1.530 -1.718 1.525 1.00 11.43 C ATOM 237 O ALA A 17 -1.391 -0.997 0.537 1.00 13.55 O ATOM 238 CB ALA A 17 -1.486 -4.208 1.294 1.00 54.11 C ATOM 0 H ALA A 17 -0.633 -3.881 3.588 1.00 54.22 H new ATOM 0 HA ALA A 17 0.181 -2.892 1.045 1.00 71.23 H new ATOM 0 HB1 ALA A 17 -1.834 -4.096 0.267 1.00 54.11 H new ATOM 0 HB2 ALA A 17 -0.853 -5.092 1.368 1.00 54.11 H new ATOM 0 HB3 ALA A 17 -2.344 -4.319 1.957 1.00 54.11 H new ATOM 244 N ASP A 18 -2.403 -1.459 2.493 1.00 11.15 N ATOM 245 CA ASP A 18 -3.268 -0.287 2.449 1.00 13.30 C ATOM 246 C ASP A 18 -2.447 0.988 2.282 1.00 11.20 C ATOM 247 O ASP A 18 -2.886 1.940 1.637 1.00 54.21 O ATOM 248 CB ASP A 18 -4.114 -0.201 3.721 1.00 72.23 C ATOM 249 CG ASP A 18 -5.394 0.583 3.514 1.00 15.13 C ATOM 250 OD1 ASP A 18 -6.470 0.073 3.893 1.00 43.33 O ATOM 251 OD2 ASP A 18 -5.322 1.705 2.972 1.00 72.10 O ATOM 0 H ASP A 18 -2.530 -2.046 3.318 1.00 11.15 H new ATOM 0 HA ASP A 18 -3.930 -0.387 1.589 1.00 13.30 H new ATOM 0 HB2 ASP A 18 -4.359 -1.208 4.059 1.00 72.23 H new ATOM 0 HB3 ASP A 18 -3.529 0.268 4.512 1.00 72.23 H new ATOM 255 N GLU A 19 -1.255 0.999 2.869 1.00 44.21 N ATOM 256 CA GLU A 19 -0.374 2.158 2.787 1.00 70.24 C ATOM 257 C GLU A 19 0.015 2.444 1.339 1.00 54.23 C ATOM 258 O GLU A 19 0.227 3.595 0.957 1.00 72.44 O ATOM 259 CB GLU A 19 0.884 1.933 3.629 1.00 3.45 C ATOM 260 CG GLU A 19 0.919 2.760 4.903 1.00 23.14 C ATOM 261 CD GLU A 19 -0.086 2.286 5.935 1.00 31.23 C ATOM 262 OE1 GLU A 19 -1.295 2.271 5.623 1.00 34.31 O ATOM 263 OE2 GLU A 19 0.336 1.931 7.055 1.00 21.53 O ATOM 0 H GLU A 19 -0.877 0.219 3.406 1.00 44.21 H new ATOM 0 HA GLU A 19 -0.914 3.020 3.178 1.00 70.24 H new ATOM 0 HB2 GLU A 19 0.953 0.877 3.889 1.00 3.45 H new ATOM 0 HB3 GLU A 19 1.761 2.171 3.027 1.00 3.45 H new ATOM 0 HG2 GLU A 19 1.921 2.718 5.331 1.00 23.14 H new ATOM 0 HG3 GLU A 19 0.719 3.804 4.660 1.00 23.14 H new ATOM 268 N CYS A 20 0.109 1.388 0.538 1.00 12.33 N ATOM 269 CA CYS A 20 0.473 1.523 -0.866 1.00 35.21 C ATOM 270 C CYS A 20 -0.769 1.694 -1.737 1.00 41.05 C ATOM 271 O CYS A 20 -1.703 0.895 -1.669 1.00 32.13 O ATOM 272 CB CYS A 20 1.268 0.299 -1.328 1.00 53.00 C ATOM 273 SG CYS A 20 2.974 0.674 -1.848 1.00 4.22 S ATOM 0 H CYS A 20 -0.062 0.428 0.838 1.00 12.33 H new ATOM 0 HA CYS A 20 1.094 2.413 -0.970 1.00 35.21 H new ATOM 0 HB2 CYS A 20 1.298 -0.429 -0.517 1.00 53.00 H new ATOM 0 HB3 CYS A 20 0.741 -0.171 -2.159 1.00 53.00 H new ATOM 277 N CYS A 21 -0.771 2.742 -2.554 1.00 12.50 N ATOM 278 CA CYS A 21 -1.896 3.020 -3.439 1.00 4.44 C ATOM 279 C CYS A 21 -2.135 1.858 -4.397 1.00 32.03 C ATOM 280 O CYS A 21 -3.262 1.615 -4.827 1.00 13.43 O ATOM 281 CB CYS A 21 -1.645 4.306 -4.229 1.00 22.10 C ATOM 282 SG CYS A 21 -2.819 5.648 -3.859 1.00 13.22 S ATOM 0 H CYS A 21 -0.006 3.413 -2.622 1.00 12.50 H new ATOM 0 HA CYS A 21 -2.787 3.148 -2.824 1.00 4.44 H new ATOM 0 HB2 CYS A 21 -0.634 4.655 -4.022 1.00 22.10 H new ATOM 0 HB3 CYS A 21 -1.692 4.080 -5.294 1.00 22.10 H new ATOM 286 N SER A 22 -1.065 1.143 -4.728 1.00 34.32 N ATOM 287 CA SER A 22 -1.157 0.008 -5.640 1.00 4.02 C ATOM 288 C SER A 22 -1.582 -1.254 -4.895 1.00 60.11 C ATOM 289 O SER A 22 -2.007 -2.236 -5.504 1.00 73.30 O ATOM 290 CB SER A 22 0.186 -0.225 -6.336 1.00 64.11 C ATOM 291 OG SER A 22 0.106 -1.302 -7.252 1.00 30.25 O ATOM 0 H SER A 22 -0.125 1.329 -4.379 1.00 34.32 H new ATOM 0 HA SER A 22 -1.912 0.238 -6.391 1.00 4.02 H new ATOM 0 HB2 SER A 22 0.489 0.681 -6.861 1.00 64.11 H new ATOM 0 HB3 SER A 22 0.954 -0.434 -5.591 1.00 64.11 H new ATOM 0 HG SER A 22 0.976 -1.429 -7.684 1.00 30.25 H new ATOM 296 N LYS A 23 -1.463 -1.221 -3.572 1.00 41.13 N ATOM 297 CA LYS A 23 -1.835 -2.360 -2.741 1.00 41.04 C ATOM 298 C LYS A 23 -0.937 -3.559 -3.028 1.00 44.22 C ATOM 299 O LYS A 23 -1.418 -4.680 -3.193 1.00 31.24 O ATOM 300 CB LYS A 23 -3.299 -2.736 -2.981 1.00 71.41 C ATOM 301 CG LYS A 23 -4.255 -1.560 -2.871 1.00 25.51 C ATOM 302 CD LYS A 23 -5.170 -1.697 -1.665 1.00 62.54 C ATOM 303 CE LYS A 23 -6.265 -0.641 -1.674 1.00 63.21 C ATOM 304 NZ LYS A 23 -7.499 -1.117 -0.990 1.00 71.15 N ATOM 0 H LYS A 23 -1.112 -0.417 -3.052 1.00 41.13 H new ATOM 0 HA LYS A 23 -1.706 -2.074 -1.697 1.00 41.04 H new ATOM 0 HB2 LYS A 23 -3.394 -3.179 -3.972 1.00 71.41 H new ATOM 0 HB3 LYS A 23 -3.592 -3.500 -2.261 1.00 71.41 H new ATOM 0 HG2 LYS A 23 -3.686 -0.633 -2.794 1.00 25.51 H new ATOM 0 HG3 LYS A 23 -4.855 -1.491 -3.778 1.00 25.51 H new ATOM 0 HD2 LYS A 23 -5.620 -2.690 -1.659 1.00 62.54 H new ATOM 0 HD3 LYS A 23 -4.584 -1.608 -0.750 1.00 62.54 H new ATOM 0 HE2 LYS A 23 -5.903 0.262 -1.183 1.00 63.21 H new ATOM 0 HE3 LYS A 23 -6.501 -0.371 -2.703 1.00 63.21 H new ATOM 0 HZ1 LYS A 23 -8.221 -0.369 -1.017 1.00 71.15 H new ATOM 0 HZ2 LYS A 23 -7.859 -1.964 -1.474 1.00 71.15 H new ATOM 0 HZ3 LYS A 23 -7.279 -1.350 -0.001 1.00 71.15 H new ATOM 314 N ARG A 24 0.368 -3.315 -3.084 1.00 21.34 N ATOM 315 CA ARG A 24 1.332 -4.376 -3.351 1.00 21.41 C ATOM 316 C ARG A 24 2.460 -4.357 -2.323 1.00 0.40 C ATOM 317 O ARG A 24 3.604 -4.690 -2.634 1.00 5.40 O ATOM 318 CB ARG A 24 1.909 -4.227 -4.759 1.00 31.31 C ATOM 319 CG ARG A 24 1.288 -5.172 -5.775 1.00 1.11 C ATOM 320 CD ARG A 24 1.529 -6.626 -5.404 1.00 22.03 C ATOM 321 NE ARG A 24 1.279 -7.527 -6.526 1.00 72.42 N ATOM 322 CZ ARG A 24 0.064 -7.857 -6.948 1.00 51.15 C ATOM 323 NH1 ARG A 24 -1.007 -7.363 -6.343 1.00 0.15 N ATOM 324 NH2 ARG A 24 -0.081 -8.683 -7.977 1.00 2.41 N ATOM 0 H ARG A 24 0.782 -2.393 -2.948 1.00 21.34 H new ATOM 0 HA ARG A 24 0.813 -5.331 -3.278 1.00 21.41 H new ATOM 0 HB2 ARG A 24 1.765 -3.200 -5.095 1.00 31.31 H new ATOM 0 HB3 ARG A 24 2.984 -4.402 -4.722 1.00 31.31 H new ATOM 0 HG2 ARG A 24 0.216 -4.985 -5.840 1.00 1.11 H new ATOM 0 HG3 ARG A 24 1.706 -4.973 -6.762 1.00 1.11 H new ATOM 0 HD2 ARG A 24 2.557 -6.747 -5.064 1.00 22.03 H new ATOM 0 HD3 ARG A 24 0.883 -6.899 -4.569 1.00 22.03 H new ATOM 0 HE ARG A 24 2.082 -7.925 -7.012 1.00 72.42 H new ATOM 0 HH11 ARG A 24 -0.899 -6.728 -5.552 1.00 0.15 H new ATOM 0 HH12 ARG A 24 -1.940 -7.618 -6.669 1.00 0.15 H new ATOM 0 HH21 ARG A 24 0.741 -9.065 -8.444 1.00 2.41 H new ATOM 0 HH22 ARG A 24 -1.015 -8.936 -8.300 1.00 2.41 H new ATOM 335 N CYS A 25 2.129 -3.963 -1.098 1.00 43.43 N ATOM 336 CA CYS A 25 3.113 -3.899 -0.023 1.00 42.23 C ATOM 337 C CYS A 25 3.219 -5.238 0.699 1.00 34.23 C ATOM 338 O CYS A 25 2.253 -6.000 0.763 1.00 13.14 O ATOM 339 CB CYS A 25 2.740 -2.798 0.973 1.00 20.11 C ATOM 340 SG CYS A 25 4.152 -2.141 1.918 1.00 35.53 S ATOM 0 H CYS A 25 1.187 -3.683 -0.825 1.00 43.43 H new ATOM 0 HA CYS A 25 4.082 -3.668 -0.465 1.00 42.23 H new ATOM 0 HB2 CYS A 25 2.266 -1.979 0.432 1.00 20.11 H new ATOM 0 HB3 CYS A 25 2.000 -3.190 1.671 1.00 20.11 H new ATOM 344 N LEU A 26 4.398 -5.520 1.242 1.00 72.20 N ATOM 345 CA LEU A 26 4.631 -6.769 1.961 1.00 55.12 C ATOM 346 C LEU A 26 5.327 -6.508 3.292 1.00 43.12 C ATOM 347 O LEU A 26 6.072 -5.539 3.436 1.00 44.04 O ATOM 348 CB LEU A 26 5.473 -7.720 1.109 1.00 32.20 C ATOM 349 CG LEU A 26 5.544 -9.169 1.593 1.00 51.14 C ATOM 350 CD1 LEU A 26 4.292 -9.930 1.185 1.00 41.23 C ATOM 351 CD2 LEU A 26 6.788 -9.853 1.046 1.00 33.40 C ATOM 0 H LEU A 26 5.208 -4.901 1.198 1.00 72.20 H new ATOM 0 HA LEU A 26 3.664 -7.231 2.162 1.00 55.12 H new ATOM 0 HB2 LEU A 26 5.075 -7.716 0.094 1.00 32.20 H new ATOM 0 HB3 LEU A 26 6.488 -7.326 1.055 1.00 32.20 H new ATOM 0 HG LEU A 26 5.604 -9.166 2.681 1.00 51.14 H new ATOM 0 HD11 LEU A 26 4.360 -10.959 1.538 1.00 41.23 H new ATOM 0 HD12 LEU A 26 3.416 -9.453 1.625 1.00 41.23 H new ATOM 0 HD13 LEU A 26 4.201 -9.924 0.099 1.00 41.23 H new ATOM 0 HD21 LEU A 26 6.822 -10.883 1.400 1.00 33.40 H new ATOM 0 HD22 LEU A 26 6.758 -9.845 -0.044 1.00 33.40 H new ATOM 0 HD23 LEU A 26 7.676 -9.322 1.389 1.00 33.40 H new ATOM 362 N PHE A 27 5.080 -7.381 4.264 1.00 74.42 N ATOM 363 CA PHE A 27 5.685 -7.247 5.584 1.00 12.34 C ATOM 364 C PHE A 27 7.194 -7.464 5.516 1.00 21.32 C ATOM 365 O PHE A 27 7.949 -6.899 6.306 1.00 65.24 O ATOM 366 CB PHE A 27 5.057 -8.245 6.559 1.00 52.45 C ATOM 367 CG PHE A 27 3.737 -7.791 7.115 1.00 34.22 C ATOM 368 CD1 PHE A 27 2.678 -7.502 6.269 1.00 21.20 C ATOM 369 CD2 PHE A 27 3.557 -7.653 8.481 1.00 13.42 C ATOM 370 CE1 PHE A 27 1.462 -7.085 6.776 1.00 44.41 C ATOM 371 CE2 PHE A 27 2.343 -7.236 8.994 1.00 22.04 C ATOM 372 CZ PHE A 27 1.294 -6.951 8.141 1.00 55.32 C ATOM 0 H PHE A 27 4.465 -8.188 4.162 1.00 74.42 H new ATOM 0 HA PHE A 27 5.498 -6.234 5.941 1.00 12.34 H new ATOM 0 HB2 PHE A 27 4.919 -9.199 6.051 1.00 52.45 H new ATOM 0 HB3 PHE A 27 5.749 -8.420 7.383 1.00 52.45 H new ATOM 0 HD1 PHE A 27 2.805 -7.604 5.201 1.00 21.20 H new ATOM 0 HD2 PHE A 27 4.374 -7.873 9.153 1.00 13.42 H new ATOM 0 HE1 PHE A 27 0.644 -6.864 6.106 1.00 44.41 H new ATOM 0 HE2 PHE A 27 2.214 -7.133 10.061 1.00 22.04 H new ATOM 0 HZ PHE A 27 0.345 -6.624 8.540 1.00 55.32 H new ATOM 381 N TYR A 28 7.624 -8.289 4.568 1.00 24.15 N ATOM 382 CA TYR A 28 9.042 -8.585 4.398 1.00 42.22 C ATOM 383 C TYR A 28 9.711 -7.546 3.503 1.00 64.32 C ATOM 384 O TYR A 28 10.748 -6.984 3.856 1.00 52.42 O ATOM 385 CB TYR A 28 9.224 -9.982 3.802 1.00 43.05 C ATOM 386 CG TYR A 28 8.747 -11.094 4.709 1.00 43.42 C ATOM 387 CD1 TYR A 28 7.459 -11.601 4.598 1.00 4.24 C ATOM 388 CD2 TYR A 28 9.583 -11.636 5.676 1.00 65.43 C ATOM 389 CE1 TYR A 28 7.017 -12.617 5.425 1.00 31.12 C ATOM 390 CE2 TYR A 28 9.152 -12.653 6.506 1.00 14.24 C ATOM 391 CZ TYR A 28 7.867 -13.140 6.376 1.00 71.23 C ATOM 392 OH TYR A 28 7.433 -14.151 7.201 1.00 4.41 O ATOM 0 H TYR A 28 7.011 -8.765 3.906 1.00 24.15 H new ATOM 0 HA TYR A 28 9.515 -8.551 5.379 1.00 42.22 H new ATOM 0 HB2 TYR A 28 8.683 -10.038 2.857 1.00 43.05 H new ATOM 0 HB3 TYR A 28 10.279 -10.137 3.575 1.00 43.05 H new ATOM 0 HD1 TYR A 28 6.791 -11.195 3.853 1.00 4.24 H new ATOM 0 HD2 TYR A 28 10.588 -11.256 5.781 1.00 65.43 H new ATOM 0 HE1 TYR A 28 6.012 -12.999 5.327 1.00 31.12 H new ATOM 0 HE2 TYR A 28 9.816 -13.064 7.252 1.00 14.24 H new ATOM 0 HH TYR A 28 8.155 -14.406 7.813 1.00 4.41 H new ATOM 401 N ALA A 29 9.111 -7.298 2.344 1.00 61.12 N ATOM 402 CA ALA A 29 9.647 -6.326 1.399 1.00 21.34 C ATOM 403 C ALA A 29 9.533 -4.907 1.947 1.00 24.31 C ATOM 404 O ALA A 29 10.447 -4.098 1.795 1.00 43.14 O ATOM 405 CB ALA A 29 8.928 -6.437 0.063 1.00 2.14 C ATOM 0 H ALA A 29 8.253 -7.757 2.037 1.00 61.12 H new ATOM 0 HA ALA A 29 10.704 -6.546 1.250 1.00 21.34 H new ATOM 0 HB1 ALA A 29 9.338 -5.705 -0.633 1.00 2.14 H new ATOM 0 HB2 ALA A 29 9.065 -7.440 -0.342 1.00 2.14 H new ATOM 0 HB3 ALA A 29 7.864 -6.246 0.205 1.00 2.14 H new ATOM 411 N ALA A 30 8.404 -4.614 2.585 1.00 71.15 N ATOM 412 CA ALA A 30 8.172 -3.292 3.156 1.00 3.03 C ATOM 413 C ALA A 30 8.160 -2.220 2.072 1.00 12.05 C ATOM 414 O ALA A 30 8.167 -1.024 2.367 1.00 32.52 O ATOM 415 CB ALA A 30 9.230 -2.977 4.203 1.00 72.24 C ATOM 0 H ALA A 30 7.637 -5.273 2.719 1.00 71.15 H new ATOM 0 HA ALA A 30 7.193 -3.296 3.635 1.00 3.03 H new ATOM 0 HB1 ALA A 30 9.045 -1.987 4.621 1.00 72.24 H new ATOM 0 HB2 ALA A 30 9.187 -3.721 4.999 1.00 72.24 H new ATOM 0 HB3 ALA A 30 10.217 -2.997 3.740 1.00 72.24 H new ATOM 421 N LYS A 31 8.143 -2.654 0.817 1.00 34.24 N ATOM 422 CA LYS A 31 8.129 -1.731 -0.313 1.00 22.22 C ATOM 423 C LYS A 31 7.227 -2.250 -1.428 1.00 22.40 C ATOM 424 O LYS A 31 7.209 -3.447 -1.720 1.00 1.32 O ATOM 425 CB LYS A 31 9.549 -1.524 -0.846 1.00 4.22 C ATOM 426 CG LYS A 31 9.594 -1.004 -2.271 1.00 12.42 C ATOM 427 CD LYS A 31 9.710 -2.138 -3.276 1.00 61.02 C ATOM 428 CE LYS A 31 11.140 -2.644 -3.381 1.00 62.44 C ATOM 429 NZ LYS A 31 11.510 -2.977 -4.785 1.00 3.33 N ATOM 0 H LYS A 31 8.139 -3.640 0.556 1.00 34.24 H new ATOM 0 HA LYS A 31 7.735 -0.776 0.034 1.00 22.22 H new ATOM 0 HB2 LYS A 31 10.073 -0.824 -0.196 1.00 4.22 H new ATOM 0 HB3 LYS A 31 10.088 -2.470 -0.796 1.00 4.22 H new ATOM 0 HG2 LYS A 31 8.693 -0.425 -2.477 1.00 12.42 H new ATOM 0 HG3 LYS A 31 10.441 -0.327 -2.386 1.00 12.42 H new ATOM 0 HD2 LYS A 31 9.054 -2.957 -2.980 1.00 61.02 H new ATOM 0 HD3 LYS A 31 9.371 -1.795 -4.254 1.00 61.02 H new ATOM 0 HE2 LYS A 31 11.822 -1.886 -2.996 1.00 62.44 H new ATOM 0 HE3 LYS A 31 11.259 -3.528 -2.755 1.00 62.44 H new ATOM 0 HZ1 LYS A 31 12.492 -3.318 -4.814 1.00 3.33 H new ATOM 0 HZ2 LYS A 31 10.875 -3.718 -5.145 1.00 3.33 H new ATOM 0 HZ3 LYS A 31 11.421 -2.127 -5.378 1.00 3.33 H new ATOM 439 N CYS A 32 6.482 -1.343 -2.050 1.00 14.43 N ATOM 440 CA CYS A 32 5.578 -1.708 -3.134 1.00 55.04 C ATOM 441 C CYS A 32 6.308 -2.517 -4.202 1.00 42.15 C ATOM 442 O CYS A 32 7.196 -2.005 -4.885 1.00 65.14 O ATOM 443 CB CYS A 32 4.965 -0.454 -3.760 1.00 44.43 C ATOM 444 SG CYS A 32 3.159 -0.329 -3.560 1.00 21.24 S ATOM 0 H CYS A 32 6.486 -0.349 -1.822 1.00 14.43 H new ATOM 0 HA CYS A 32 4.782 -2.324 -2.717 1.00 55.04 H new ATOM 0 HB2 CYS A 32 5.431 0.426 -3.315 1.00 44.43 H new ATOM 0 HB3 CYS A 32 5.204 -0.438 -4.823 1.00 44.43 H new ATOM 448 N VAL A 33 5.929 -3.783 -4.341 1.00 0.54 N ATOM 449 CA VAL A 33 6.546 -4.663 -5.326 1.00 35.11 C ATOM 450 C VAL A 33 5.529 -5.126 -6.364 1.00 1.55 C ATOM 451 O VAL A 33 4.424 -5.546 -6.020 1.00 55.23 O ATOM 452 CB VAL A 33 7.179 -5.897 -4.658 1.00 31.33 C ATOM 453 CG1 VAL A 33 8.545 -5.553 -4.086 1.00 71.52 C ATOM 454 CG2 VAL A 33 6.262 -6.445 -3.575 1.00 3.21 C ATOM 0 H VAL A 33 5.197 -4.223 -3.783 1.00 0.54 H new ATOM 0 HA VAL A 33 7.328 -4.086 -5.820 1.00 35.11 H new ATOM 0 HB VAL A 33 7.313 -6.670 -5.415 1.00 31.33 H new ATOM 0 HG11 VAL A 33 8.977 -6.438 -3.618 1.00 71.52 H new ATOM 0 HG12 VAL A 33 9.199 -5.211 -4.888 1.00 71.52 H new ATOM 0 HG13 VAL A 33 8.440 -4.764 -3.342 1.00 71.52 H new ATOM 0 HG21 VAL A 33 6.725 -7.317 -3.113 1.00 3.21 H new ATOM 0 HG22 VAL A 33 6.095 -5.679 -2.818 1.00 3.21 H new ATOM 0 HG23 VAL A 33 5.308 -6.732 -4.017 1.00 3.21 H new ATOM 464 N SER A 34 5.909 -5.045 -7.634 1.00 34.41 N ATOM 465 CA SER A 34 5.029 -5.453 -8.723 1.00 1.31 C ATOM 466 C SER A 34 4.534 -6.881 -8.515 1.00 14.03 C ATOM 467 O SER A 34 5.309 -7.775 -8.180 1.00 14.13 O ATOM 468 CB SER A 34 5.757 -5.344 -10.064 1.00 75.31 C ATOM 469 OG SER A 34 5.083 -6.078 -11.072 1.00 52.24 O ATOM 0 H SER A 34 6.821 -4.701 -7.935 1.00 34.41 H new ATOM 0 HA SER A 34 4.167 -4.785 -8.730 1.00 1.31 H new ATOM 0 HB2 SER A 34 5.828 -4.297 -10.358 1.00 75.31 H new ATOM 0 HB3 SER A 34 6.776 -5.716 -9.959 1.00 75.31 H new ATOM 0 HG SER A 34 5.567 -5.991 -11.919 1.00 52.24 H new TER 474 SER A 34