USER MOD reduce.3.24.130724 H: found=0, std=0, add=269, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 267 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 17 ASN : amide:sc= -0.758 K(o=-0.68,f=-3.1!) USER MOD Set 1.2: A 28 THR OG1 : rot 48:sc= 0.0759 USER MOD Set 2.1: A 9 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl -156:sc= -0.101 (180deg=-0.544) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 ASN :FLIP amide:sc= -0.0492 F(o=-3.2!,f=-0.049) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= -0.448 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 0.793 -0.702 -0.627 1.00 25.40 N ATOM 2 CA LYS A 1 1.611 -0.690 -1.834 1.00 4.01 C ATOM 3 C LYS A 1 2.609 0.464 -1.803 1.00 70.43 C ATOM 4 O LYS A 1 2.362 1.526 -2.373 1.00 51.52 O ATOM 5 CB LYS A 1 0.724 -0.578 -3.075 1.00 54.43 C ATOM 6 CG LYS A 1 0.741 -1.819 -3.950 1.00 32.32 C ATOM 7 CD LYS A 1 -0.452 -2.717 -3.667 1.00 52.02 C ATOM 8 CE LYS A 1 -0.726 -3.662 -4.827 1.00 41.02 C ATOM 9 NZ LYS A 1 0.390 -4.627 -5.031 1.00 74.14 N ATOM 0 H1 LYS A 1 0.122 -1.495 -0.670 1.00 25.40 H new ATOM 0 H2 LYS A 1 1.405 -0.812 0.206 1.00 25.40 H new ATOM 0 H3 LYS A 1 0.268 0.193 -0.555 1.00 25.40 H new ATOM 0 HA LYS A 1 2.167 -1.627 -1.876 1.00 4.01 H new ATOM 0 HB2 LYS A 1 -0.301 -0.379 -2.762 1.00 54.43 H new ATOM 0 HB3 LYS A 1 1.048 0.278 -3.667 1.00 54.43 H new ATOM 0 HG2 LYS A 1 0.736 -1.525 -5.000 1.00 32.32 H new ATOM 0 HG3 LYS A 1 1.664 -2.373 -3.779 1.00 32.32 H new ATOM 0 HD2 LYS A 1 -0.267 -3.295 -2.761 1.00 52.02 H new ATOM 0 HD3 LYS A 1 -1.334 -2.104 -3.480 1.00 52.02 H new ATOM 0 HE2 LYS A 1 -1.650 -4.209 -4.639 1.00 41.02 H new ATOM 0 HE3 LYS A 1 -0.878 -3.084 -5.739 1.00 41.02 H new ATOM 0 HZ1 LYS A 1 0.165 -5.254 -5.830 1.00 74.14 H new ATOM 0 HZ2 LYS A 1 1.267 -4.106 -5.235 1.00 74.14 H new ATOM 0 HZ3 LYS A 1 0.518 -5.196 -4.170 1.00 74.14 H new ATOM 23 N VAL A 2 3.738 0.246 -1.136 1.00 13.45 N ATOM 24 CA VAL A 2 4.774 1.267 -1.033 1.00 52.11 C ATOM 25 C VAL A 2 6.142 0.639 -0.790 1.00 15.24 C ATOM 26 O VAL A 2 7.147 1.082 -1.343 1.00 0.21 O ATOM 27 CB VAL A 2 4.469 2.264 0.101 1.00 65.01 C ATOM 28 CG1 VAL A 2 5.662 3.176 0.345 1.00 41.14 C ATOM 29 CG2 VAL A 2 3.225 3.076 -0.224 1.00 35.33 C ATOM 0 H VAL A 2 3.958 -0.628 -0.659 1.00 13.45 H new ATOM 0 HA VAL A 2 4.787 1.802 -1.983 1.00 52.11 H new ATOM 0 HB VAL A 2 4.279 1.701 1.015 1.00 65.01 H new ATOM 0 HG11 VAL A 2 5.428 3.874 1.149 1.00 41.14 H new ATOM 0 HG12 VAL A 2 6.528 2.576 0.625 1.00 41.14 H new ATOM 0 HG13 VAL A 2 5.886 3.733 -0.565 1.00 41.14 H new ATOM 0 HG21 VAL A 2 3.024 3.775 0.588 1.00 35.33 H new ATOM 0 HG22 VAL A 2 3.384 3.630 -1.149 1.00 35.33 H new ATOM 0 HG23 VAL A 2 2.374 2.406 -0.344 1.00 35.33 H new ATOM 39 N GLY A 3 6.171 -0.397 0.043 1.00 63.10 N ATOM 40 CA GLY A 3 7.421 -1.070 0.345 1.00 20.13 C ATOM 41 C GLY A 3 7.898 -1.947 -0.796 1.00 2.25 C ATOM 42 O GLY A 3 9.034 -2.421 -0.790 1.00 62.42 O ATOM 0 H GLY A 3 5.352 -0.782 0.514 1.00 63.10 H new ATOM 0 HA2 GLY A 3 8.185 -0.326 0.571 1.00 20.13 H new ATOM 0 HA3 GLY A 3 7.295 -1.680 1.240 1.00 20.13 H new ATOM 46 N PHE A 4 7.028 -2.164 -1.776 1.00 63.23 N ATOM 47 CA PHE A 4 7.366 -2.992 -2.928 1.00 61.41 C ATOM 48 C PHE A 4 8.073 -2.169 -4.001 1.00 61.51 C ATOM 49 O PHE A 4 9.054 -2.616 -4.597 1.00 33.54 O ATOM 50 CB PHE A 4 6.104 -3.633 -3.510 1.00 23.22 C ATOM 51 CG PHE A 4 5.113 -4.060 -2.466 1.00 32.25 C ATOM 52 CD1 PHE A 4 4.252 -3.139 -1.891 1.00 72.00 C ATOM 53 CD2 PHE A 4 5.041 -5.383 -2.059 1.00 3.32 C ATOM 54 CE1 PHE A 4 3.339 -3.529 -0.929 1.00 62.33 C ATOM 55 CE2 PHE A 4 4.130 -5.779 -1.098 1.00 23.03 C ATOM 56 CZ PHE A 4 3.277 -4.851 -0.533 1.00 64.11 C ATOM 0 H PHE A 4 6.084 -1.778 -1.796 1.00 63.23 H new ATOM 0 HA PHE A 4 8.043 -3.778 -2.593 1.00 61.41 H new ATOM 0 HB2 PHE A 4 5.625 -2.925 -4.186 1.00 23.22 H new ATOM 0 HB3 PHE A 4 6.388 -4.500 -4.106 1.00 23.22 H new ATOM 0 HD1 PHE A 4 4.295 -2.104 -2.198 1.00 72.00 H new ATOM 0 HD2 PHE A 4 5.705 -6.113 -2.498 1.00 3.32 H new ATOM 0 HE1 PHE A 4 2.675 -2.801 -0.487 1.00 62.33 H new ATOM 0 HE2 PHE A 4 4.085 -6.813 -0.789 1.00 23.03 H new ATOM 0 HZ PHE A 4 2.563 -5.158 0.217 1.00 64.11 H new ATOM 66 N PHE A 5 7.568 -0.964 -4.243 1.00 32.42 N ATOM 67 CA PHE A 5 8.149 -0.079 -5.245 1.00 0.42 C ATOM 68 C PHE A 5 9.519 0.423 -4.798 1.00 63.33 C ATOM 69 O PHE A 5 10.400 0.675 -5.621 1.00 54.13 O ATOM 70 CB PHE A 5 7.220 1.108 -5.507 1.00 51.44 C ATOM 71 CG PHE A 5 5.787 0.712 -5.721 1.00 50.23 C ATOM 72 CD1 PHE A 5 4.951 0.477 -4.642 1.00 31.13 C ATOM 73 CD2 PHE A 5 5.276 0.576 -7.002 1.00 31.52 C ATOM 74 CE1 PHE A 5 3.632 0.111 -4.836 1.00 3.41 C ATOM 75 CE2 PHE A 5 3.958 0.211 -7.202 1.00 72.32 C ATOM 76 CZ PHE A 5 3.135 -0.021 -6.118 1.00 12.44 C ATOM 0 H PHE A 5 6.757 -0.578 -3.759 1.00 32.42 H new ATOM 0 HA PHE A 5 8.272 -0.646 -6.167 1.00 0.42 H new ATOM 0 HB2 PHE A 5 7.276 1.796 -4.664 1.00 51.44 H new ATOM 0 HB3 PHE A 5 7.574 1.649 -6.384 1.00 51.44 H new ATOM 0 HD1 PHE A 5 5.334 0.581 -3.638 1.00 31.13 H new ATOM 0 HD2 PHE A 5 5.915 0.757 -7.854 1.00 31.52 H new ATOM 0 HE1 PHE A 5 2.991 -0.071 -3.986 1.00 3.41 H new ATOM 0 HE2 PHE A 5 3.572 0.107 -8.205 1.00 72.32 H new ATOM 0 HZ PHE A 5 2.105 -0.305 -6.272 1.00 12.44 H new ATOM 86 N LYS A 6 9.692 0.565 -3.489 1.00 5.53 N ATOM 87 CA LYS A 6 10.954 1.036 -2.930 1.00 65.21 C ATOM 88 C LYS A 6 12.116 0.166 -3.400 1.00 74.45 C ATOM 89 O LYS A 6 13.232 0.650 -3.583 1.00 44.34 O ATOM 90 CB LYS A 6 10.890 1.036 -1.401 1.00 44.21 C ATOM 91 CG LYS A 6 10.903 2.428 -0.792 1.00 63.32 C ATOM 92 CD LYS A 6 9.730 2.635 0.150 1.00 35.23 C ATOM 93 CE LYS A 6 9.803 3.986 0.844 1.00 44.41 C ATOM 94 NZ LYS A 6 10.737 3.964 2.004 1.00 42.22 N ATOM 0 H LYS A 6 8.974 0.361 -2.794 1.00 5.53 H new ATOM 0 HA LYS A 6 11.120 2.055 -3.281 1.00 65.21 H new ATOM 0 HB2 LYS A 6 9.985 0.518 -1.084 1.00 44.21 H new ATOM 0 HB3 LYS A 6 11.735 0.470 -1.010 1.00 44.21 H new ATOM 0 HG2 LYS A 6 11.837 2.581 -0.251 1.00 63.32 H new ATOM 0 HG3 LYS A 6 10.869 3.174 -1.586 1.00 63.32 H new ATOM 0 HD2 LYS A 6 8.797 2.562 -0.408 1.00 35.23 H new ATOM 0 HD3 LYS A 6 9.718 1.841 0.897 1.00 35.23 H new ATOM 0 HE2 LYS A 6 10.128 4.744 0.131 1.00 44.41 H new ATOM 0 HE3 LYS A 6 8.808 4.274 1.184 1.00 44.41 H new ATOM 0 HZ1 LYS A 6 10.759 4.903 2.450 1.00 42.22 H new ATOM 0 HZ2 LYS A 6 10.414 3.259 2.697 1.00 42.22 H new ATOM 0 HZ3 LYS A 6 11.692 3.714 1.676 1.00 42.22 H new ATOM 108 N ARG A 7 11.844 -1.121 -3.596 1.00 10.42 N ATOM 109 CA ARG A 7 12.866 -2.058 -4.045 1.00 44.33 C ATOM 110 C ARG A 7 12.583 -2.530 -5.468 1.00 71.23 C ATOM 111 O ARG A 7 13.465 -3.060 -6.143 1.00 61.11 O ATOM 112 CB ARG A 7 12.937 -3.260 -3.102 1.00 12.11 C ATOM 113 CG ARG A 7 14.055 -3.165 -2.076 1.00 53.44 C ATOM 114 CD ARG A 7 13.625 -2.366 -0.856 1.00 54.10 C ATOM 115 NE ARG A 7 14.252 -2.856 0.368 1.00 30.42 N ATOM 116 CZ ARG A 7 15.508 -2.590 0.708 1.00 41.40 C ATOM 117 NH1 ARG A 7 16.267 -1.840 -0.080 1.00 73.41 N ATOM 118 NH2 ARG A 7 16.008 -3.072 1.839 1.00 74.35 N ATOM 0 H ARG A 7 10.924 -1.538 -3.451 1.00 10.42 H new ATOM 0 HA ARG A 7 13.826 -1.541 -4.036 1.00 44.33 H new ATOM 0 HB2 ARG A 7 11.985 -3.359 -2.581 1.00 12.11 H new ATOM 0 HB3 ARG A 7 13.073 -4.166 -3.692 1.00 12.11 H new ATOM 0 HG2 ARG A 7 14.355 -4.167 -1.769 1.00 53.44 H new ATOM 0 HG3 ARG A 7 14.928 -2.696 -2.530 1.00 53.44 H new ATOM 0 HD2 ARG A 7 13.883 -1.317 -1.000 1.00 54.10 H new ATOM 0 HD3 ARG A 7 12.541 -2.416 -0.753 1.00 54.10 H new ATOM 0 HE ARG A 7 13.695 -3.434 0.997 1.00 30.42 H new ATOM 0 HH11 ARG A 7 15.886 -1.466 -0.949 1.00 73.41 H new ATOM 0 HH12 ARG A 7 17.231 -1.637 0.183 1.00 73.41 H new ATOM 0 HH21 ARG A 7 15.427 -3.648 2.449 1.00 74.35 H new ATOM 0 HH22 ARG A 7 16.973 -2.867 2.098 1.00 74.35 H new ATOM 132 N GLN A 8 11.347 -2.334 -5.916 1.00 70.41 N ATOM 133 CA GLN A 8 10.948 -2.742 -7.258 1.00 52.21 C ATOM 134 C GLN A 8 11.157 -1.608 -8.256 1.00 40.31 C ATOM 135 O GLN A 8 11.679 -1.819 -9.351 1.00 73.41 O ATOM 136 CB GLN A 8 9.482 -3.180 -7.266 1.00 63.20 C ATOM 137 CG GLN A 8 9.038 -3.793 -8.584 1.00 54.44 C ATOM 138 CD GLN A 8 7.985 -4.868 -8.403 1.00 14.13 C ATOM 139 OE1 GLN A 8 6.806 -4.653 -8.688 1.00 20.44 O ATOM 140 NE2 GLN A 8 8.405 -6.034 -7.926 1.00 51.11 N ATOM 0 H GLN A 8 10.605 -1.896 -5.370 1.00 70.41 H new ATOM 0 HA GLN A 8 11.573 -3.584 -7.556 1.00 52.21 H new ATOM 0 HB2 GLN A 8 9.323 -3.904 -6.466 1.00 63.20 H new ATOM 0 HB3 GLN A 8 8.853 -2.318 -7.045 1.00 63.20 H new ATOM 0 HG2 GLN A 8 8.644 -3.009 -9.230 1.00 54.44 H new ATOM 0 HG3 GLN A 8 9.903 -4.219 -9.092 1.00 54.44 H new ATOM 0 HE21 GLN A 8 9.391 -6.168 -7.703 1.00 51.11 H new ATOM 0 HE22 GLN A 8 7.741 -6.795 -7.782 1.00 51.11 H new ATOM 149 N TYR A 9 10.747 -0.405 -7.871 1.00 54.51 N ATOM 150 CA TYR A 9 10.886 0.763 -8.733 1.00 65.15 C ATOM 151 C TYR A 9 12.356 1.127 -8.923 1.00 12.31 C ATOM 152 O TYR A 9 12.786 1.469 -10.025 1.00 25.33 O ATOM 153 CB TYR A 9 10.126 1.952 -8.144 1.00 44.32 C ATOM 154 CG TYR A 9 10.206 3.202 -8.992 1.00 73.31 C ATOM 155 CD1 TYR A 9 11.390 3.921 -9.095 1.00 1.13 C ATOM 156 CD2 TYR A 9 9.096 3.663 -9.690 1.00 4.33 C ATOM 157 CE1 TYR A 9 11.467 5.064 -9.868 1.00 22.44 C ATOM 158 CE2 TYR A 9 9.165 4.804 -10.466 1.00 72.22 C ATOM 159 CZ TYR A 9 10.352 5.501 -10.552 1.00 21.43 C ATOM 160 OH TYR A 9 10.424 6.638 -11.323 1.00 32.00 O ATOM 0 H TYR A 9 10.315 -0.213 -6.967 1.00 54.51 H new ATOM 0 HA TYR A 9 10.462 0.517 -9.707 1.00 65.15 H new ATOM 0 HB2 TYR A 9 9.079 1.676 -8.016 1.00 44.32 H new ATOM 0 HB3 TYR A 9 10.522 2.170 -7.152 1.00 44.32 H new ATOM 0 HD1 TYR A 9 12.265 3.581 -8.562 1.00 1.13 H new ATOM 0 HD2 TYR A 9 8.164 3.120 -9.625 1.00 4.33 H new ATOM 0 HE1 TYR A 9 12.395 5.612 -9.936 1.00 22.44 H new ATOM 0 HE2 TYR A 9 8.293 5.149 -11.003 1.00 72.22 H new ATOM 0 HH TYR A 9 9.553 6.807 -11.738 1.00 32.00 H new ATOM 170 N LYS A 10 13.122 1.051 -7.840 1.00 13.52 N ATOM 171 CA LYS A 10 14.544 1.371 -7.884 1.00 33.32 C ATOM 172 C LYS A 10 15.313 0.320 -8.678 1.00 30.43 C ATOM 173 O LYS A 10 16.231 0.646 -9.429 1.00 5.05 O ATOM 174 CB LYS A 10 15.109 1.469 -6.465 1.00 65.13 C ATOM 175 CG LYS A 10 14.282 2.343 -5.539 1.00 53.25 C ATOM 176 CD LYS A 10 14.392 3.812 -5.913 1.00 4.03 C ATOM 177 CE LYS A 10 13.157 4.590 -5.487 1.00 75.14 C ATOM 178 NZ LYS A 10 13.511 5.834 -4.750 1.00 51.55 N ATOM 0 H LYS A 10 12.782 0.770 -6.920 1.00 13.52 H new ATOM 0 HA LYS A 10 14.660 2.334 -8.382 1.00 33.32 H new ATOM 0 HB2 LYS A 10 15.177 0.467 -6.040 1.00 65.13 H new ATOM 0 HB3 LYS A 10 16.124 1.864 -6.514 1.00 65.13 H new ATOM 0 HG2 LYS A 10 13.238 2.033 -5.581 1.00 53.25 H new ATOM 0 HG3 LYS A 10 14.615 2.202 -4.511 1.00 53.25 H new ATOM 0 HD2 LYS A 10 15.275 4.243 -5.442 1.00 4.03 H new ATOM 0 HD3 LYS A 10 14.528 3.905 -6.990 1.00 4.03 H new ATOM 0 HE2 LYS A 10 12.567 4.845 -6.367 1.00 75.14 H new ATOM 0 HE3 LYS A 10 12.531 3.960 -4.856 1.00 75.14 H new ATOM 0 HZ1 LYS A 10 12.642 6.335 -4.477 1.00 51.55 H new ATOM 0 HZ2 LYS A 10 14.052 5.590 -3.896 1.00 51.55 H new ATOM 0 HZ3 LYS A 10 14.087 6.447 -5.361 1.00 51.55 H new ATOM 192 N GLU A 11 14.930 -0.942 -8.507 1.00 2.02 N ATOM 193 CA GLU A 11 15.585 -2.040 -9.209 1.00 13.23 C ATOM 194 C GLU A 11 15.129 -2.104 -10.664 1.00 2.22 C ATOM 195 O GLU A 11 15.846 -2.607 -11.528 1.00 24.11 O ATOM 196 CB GLU A 11 15.289 -3.369 -8.511 1.00 75.12 C ATOM 197 CG GLU A 11 13.930 -3.951 -8.863 1.00 32.44 C ATOM 198 CD GLU A 11 13.659 -5.267 -8.158 1.00 51.35 C ATOM 199 OE1 GLU A 11 14.576 -5.779 -7.484 1.00 1.03 O ATOM 200 OE2 GLU A 11 12.529 -5.783 -8.282 1.00 73.54 O ATOM 0 H GLU A 11 14.171 -1.229 -7.889 1.00 2.02 H new ATOM 0 HA GLU A 11 16.660 -1.860 -9.191 1.00 13.23 H new ATOM 0 HB2 GLU A 11 16.063 -4.089 -8.776 1.00 75.12 H new ATOM 0 HB3 GLU A 11 15.344 -3.224 -7.432 1.00 75.12 H new ATOM 0 HG2 GLU A 11 13.152 -3.234 -8.599 1.00 32.44 H new ATOM 0 HG3 GLU A 11 13.871 -4.102 -9.941 1.00 32.44 H new ATOM 207 N MET A 12 13.932 -1.590 -10.926 1.00 33.52 N ATOM 208 CA MET A 12 13.380 -1.589 -12.276 1.00 3.51 C ATOM 209 C MET A 12 13.911 -0.405 -13.078 1.00 40.32 C ATOM 210 O MET A 12 13.927 -0.434 -14.308 1.00 71.13 O ATOM 211 CB MET A 12 11.852 -1.541 -12.226 1.00 30.45 C ATOM 212 CG MET A 12 11.210 -2.899 -11.988 1.00 53.54 C ATOM 213 SD MET A 12 10.629 -3.668 -13.512 1.00 52.22 S ATOM 214 CE MET A 12 9.280 -2.574 -13.951 1.00 44.32 C ATOM 0 H MET A 12 13.326 -1.169 -10.222 1.00 33.52 H new ATOM 0 HA MET A 12 13.691 -2.510 -12.770 1.00 3.51 H new ATOM 0 HB2 MET A 12 11.544 -0.858 -11.434 1.00 30.45 H new ATOM 0 HB3 MET A 12 11.478 -1.131 -13.164 1.00 30.45 H new ATOM 0 HG2 MET A 12 11.931 -3.558 -11.505 1.00 53.54 H new ATOM 0 HG3 MET A 12 10.372 -2.785 -11.300 1.00 53.54 H new ATOM 0 HE1 MET A 12 8.570 -3.107 -14.583 1.00 44.32 H new ATOM 0 HE2 MET A 12 8.776 -2.236 -13.045 1.00 44.32 H new ATOM 0 HE3 MET A 12 9.672 -1.712 -14.492 1.00 44.32 H new ATOM 224 N MET A 13 14.344 0.636 -12.373 1.00 61.54 N ATOM 225 CA MET A 13 14.876 1.829 -13.021 1.00 62.23 C ATOM 226 C MET A 13 16.350 1.647 -13.369 1.00 4.34 C ATOM 227 O MET A 13 16.815 2.118 -14.406 1.00 53.03 O ATOM 228 CB MET A 13 14.700 3.049 -12.115 1.00 21.30 C ATOM 229 CG MET A 13 13.664 4.038 -12.622 1.00 55.12 C ATOM 230 SD MET A 13 14.378 5.311 -13.680 1.00 51.25 S ATOM 231 CE MET A 13 12.998 6.444 -13.825 1.00 45.43 C ATOM 0 H MET A 13 14.337 0.677 -11.354 1.00 61.54 H new ATOM 0 HA MET A 13 14.320 1.989 -13.945 1.00 62.23 H new ATOM 0 HB2 MET A 13 14.412 2.713 -11.119 1.00 21.30 H new ATOM 0 HB3 MET A 13 15.658 3.559 -12.015 1.00 21.30 H new ATOM 0 HG2 MET A 13 12.895 3.500 -13.176 1.00 55.12 H new ATOM 0 HG3 MET A 13 13.173 4.511 -11.772 1.00 55.12 H new ATOM 0 HE1 MET A 13 13.285 7.288 -14.453 1.00 45.43 H new ATOM 0 HE2 MET A 13 12.150 5.928 -14.275 1.00 45.43 H new ATOM 0 HE3 MET A 13 12.719 6.806 -12.835 1.00 45.43 H new ATOM 241 N GLU A 14 17.080 0.962 -12.493 1.00 41.45 N ATOM 242 CA GLU A 14 18.502 0.721 -12.709 1.00 31.22 C ATOM 243 C GLU A 14 18.718 -0.306 -13.816 1.00 74.45 C ATOM 244 O GLU A 14 19.707 -0.249 -14.546 1.00 1.24 O ATOM 245 CB GLU A 14 19.161 0.238 -11.415 1.00 45.22 C ATOM 246 CG GLU A 14 18.772 -1.177 -11.025 1.00 33.54 C ATOM 247 CD GLU A 14 19.279 -1.564 -9.649 1.00 1.31 C ATOM 248 OE1 GLU A 14 19.034 -0.802 -8.690 1.00 70.41 O ATOM 249 OE2 GLU A 14 19.922 -2.628 -9.532 1.00 35.44 O ATOM 0 H GLU A 14 16.711 0.565 -11.629 1.00 41.45 H new ATOM 0 HA GLU A 14 18.962 1.661 -13.015 1.00 31.22 H new ATOM 0 HB2 GLU A 14 20.244 0.290 -11.527 1.00 45.22 H new ATOM 0 HB3 GLU A 14 18.892 0.916 -10.605 1.00 45.22 H new ATOM 0 HG2 GLU A 14 17.686 -1.270 -11.047 1.00 33.54 H new ATOM 0 HG3 GLU A 14 19.167 -1.875 -11.763 1.00 33.54 H new ATOM 256 N GLU A 15 17.784 -1.245 -13.935 1.00 31.32 N ATOM 257 CA GLU A 15 17.873 -2.286 -14.952 1.00 72.13 C ATOM 258 C GLU A 15 17.579 -1.719 -16.338 1.00 40.31 C ATOM 259 O GLU A 15 18.171 -2.140 -17.331 1.00 74.43 O ATOM 260 CB GLU A 15 16.898 -3.423 -14.637 1.00 41.24 C ATOM 261 CG GLU A 15 15.438 -3.006 -14.693 1.00 42.41 C ATOM 262 CD GLU A 15 14.491 -4.164 -14.447 1.00 13.43 C ATOM 263 OE1 GLU A 15 14.856 -5.077 -13.677 1.00 42.52 O ATOM 264 OE2 GLU A 15 13.383 -4.156 -15.024 1.00 21.22 O ATOM 0 H GLU A 15 16.958 -1.306 -13.340 1.00 31.32 H new ATOM 0 HA GLU A 15 18.890 -2.677 -14.946 1.00 72.13 H new ATOM 0 HB2 GLU A 15 17.062 -4.237 -15.343 1.00 41.24 H new ATOM 0 HB3 GLU A 15 17.118 -3.814 -13.643 1.00 41.24 H new ATOM 0 HG2 GLU A 15 15.257 -2.229 -13.950 1.00 42.41 H new ATOM 0 HG3 GLU A 15 15.226 -2.569 -15.669 1.00 42.41 H new ATOM 271 N ALA A 16 16.660 -0.760 -16.396 1.00 4.01 N ATOM 272 CA ALA A 16 16.289 -0.133 -17.658 1.00 74.43 C ATOM 273 C ALA A 16 17.142 1.100 -17.931 1.00 43.24 C ATOM 274 O ALA A 16 17.090 1.675 -19.018 1.00 71.50 O ATOM 275 CB ALA A 16 14.812 0.235 -17.650 1.00 4.32 C ATOM 0 H ALA A 16 16.159 -0.401 -15.583 1.00 4.01 H new ATOM 0 HA ALA A 16 16.469 -0.851 -18.458 1.00 74.43 H new ATOM 0 HB1 ALA A 16 14.548 0.703 -18.599 1.00 4.32 H new ATOM 0 HB2 ALA A 16 14.213 -0.665 -17.510 1.00 4.32 H new ATOM 0 HB3 ALA A 16 14.615 0.932 -16.835 1.00 4.32 H new ATOM 281 N ASN A 17 17.928 1.503 -16.937 1.00 74.55 N ATOM 282 CA ASN A 17 18.792 2.670 -17.071 1.00 21.42 C ATOM 283 C ASN A 17 20.123 2.290 -17.713 1.00 51.32 C ATOM 284 O ASN A 17 20.905 3.156 -18.103 1.00 3.04 O ATOM 285 CB ASN A 17 19.037 3.308 -15.702 1.00 22.30 C ATOM 286 CG ASN A 17 18.140 4.504 -15.453 1.00 14.32 C ATOM 287 OD1 ASN A 17 18.496 5.417 -14.707 1.00 51.04 O ATOM 288 ND2 ASN A 17 16.968 4.505 -16.077 1.00 74.23 N ATOM 0 H ASN A 17 17.984 1.039 -16.031 1.00 74.55 H new ATOM 0 HA ASN A 17 18.290 3.391 -17.716 1.00 21.42 H new ATOM 0 HB2 ASN A 17 18.871 2.564 -14.923 1.00 22.30 H new ATOM 0 HB3 ASN A 17 20.080 3.618 -15.630 1.00 22.30 H new ATOM 0 HD21 ASN A 17 16.322 5.283 -15.947 1.00 74.23 H new ATOM 0 HD22 ASN A 17 16.714 3.727 -16.686 1.00 74.23 H new ATOM 295 N GLY A 18 20.372 0.989 -17.821 1.00 23.40 N ATOM 296 CA GLY A 18 21.609 0.517 -18.417 1.00 55.01 C ATOM 297 C GLY A 18 22.413 -0.353 -17.472 1.00 2.34 C ATOM 298 O GLY A 18 23.633 -0.216 -17.379 1.00 53.34 O ATOM 0 H GLY A 18 19.740 0.253 -17.507 1.00 23.40 H new ATOM 0 HA2 GLY A 18 21.381 -0.048 -19.321 1.00 55.01 H new ATOM 0 HA3 GLY A 18 22.212 1.373 -18.720 1.00 55.01 H new ATOM 302 N GLN A 19 21.729 -1.248 -16.767 1.00 22.11 N ATOM 303 CA GLN A 19 22.389 -2.141 -15.822 1.00 31.50 C ATOM 304 C GLN A 19 23.640 -2.759 -16.439 1.00 15.01 C ATOM 305 O GLN A 19 24.571 -3.138 -15.729 1.00 3.24 O ATOM 306 CB GLN A 19 21.428 -3.245 -15.375 1.00 3.20 C ATOM 307 CG GLN A 19 22.130 -4.474 -14.819 1.00 54.32 C ATOM 308 CD GLN A 19 21.288 -5.215 -13.799 1.00 53.23 C ATOM 309 OE1 GLN A 19 20.630 -6.205 -14.122 1.00 3.14 O ATOM 310 NE2 GLN A 19 21.303 -4.739 -12.560 1.00 5.41 N ATOM 0 H GLN A 19 20.719 -1.374 -16.832 1.00 22.11 H new ATOM 0 HA GLN A 19 22.687 -1.554 -14.953 1.00 31.50 H new ATOM 0 HB2 GLN A 19 20.757 -2.845 -14.615 1.00 3.20 H new ATOM 0 HB3 GLN A 19 20.810 -3.542 -16.222 1.00 3.20 H new ATOM 0 HG2 GLN A 19 22.378 -5.148 -15.639 1.00 54.32 H new ATOM 0 HG3 GLN A 19 23.071 -4.173 -14.358 1.00 54.32 H new ATOM 0 HE21 GLN A 19 21.863 -3.916 -12.337 1.00 5.41 H new ATOM 0 HE22 GLN A 19 20.755 -5.196 -11.831 1.00 5.41 H new ATOM 319 N ILE A 20 23.653 -2.858 -17.764 1.00 13.51 N ATOM 320 CA ILE A 20 24.789 -3.428 -18.476 1.00 23.53 C ATOM 321 C ILE A 20 25.321 -2.462 -19.529 1.00 14.35 C ATOM 322 O ILE A 20 26.385 -2.680 -20.106 1.00 22.33 O ATOM 323 CB ILE A 20 24.416 -4.758 -19.158 1.00 23.15 C ATOM 324 CG1 ILE A 20 23.262 -5.432 -18.413 1.00 23.33 C ATOM 325 CG2 ILE A 20 25.625 -5.680 -19.218 1.00 3.21 C ATOM 326 CD1 ILE A 20 21.897 -4.961 -18.861 1.00 74.41 C ATOM 0 H ILE A 20 22.889 -2.551 -18.366 1.00 13.51 H new ATOM 0 HA ILE A 20 25.565 -3.614 -17.733 1.00 23.53 H new ATOM 0 HB ILE A 20 24.093 -4.548 -20.178 1.00 23.15 H new ATOM 0 HG12 ILE A 20 23.330 -6.511 -18.554 1.00 23.33 H new ATOM 0 HG13 ILE A 20 23.370 -5.243 -17.345 1.00 23.33 H new ATOM 0 HG21 ILE A 20 25.345 -6.616 -19.703 1.00 3.21 H new ATOM 0 HG22 ILE A 20 26.421 -5.200 -19.788 1.00 3.21 H new ATOM 0 HG23 ILE A 20 25.976 -5.886 -18.207 1.00 3.21 H new ATOM 0 HD11 ILE A 20 21.127 -5.481 -18.290 1.00 74.41 H new ATOM 0 HD12 ILE A 20 21.810 -3.887 -18.694 1.00 74.41 H new ATOM 0 HD13 ILE A 20 21.769 -5.175 -19.922 1.00 74.41 H new ATOM 338 N ALA A 21 24.572 -1.391 -19.772 1.00 50.02 N ATOM 339 CA ALA A 21 24.969 -0.388 -20.753 1.00 23.15 C ATOM 340 C ALA A 21 25.436 0.893 -20.069 1.00 71.23 C ATOM 341 O ALA A 21 25.212 1.107 -18.878 1.00 34.42 O ATOM 342 CB ALA A 21 23.818 -0.093 -21.702 1.00 15.11 C ATOM 0 H ALA A 21 23.687 -1.196 -19.303 1.00 50.02 H new ATOM 0 HA ALA A 21 25.805 -0.788 -21.328 1.00 23.15 H new ATOM 0 HB1 ALA A 21 24.129 0.657 -22.429 1.00 15.11 H new ATOM 0 HB2 ALA A 21 23.533 -1.007 -22.223 1.00 15.11 H new ATOM 0 HB3 ALA A 21 22.966 0.282 -21.135 1.00 15.11 H new ATOM 348 N PRO A 22 26.102 1.766 -20.839 1.00 55.43 N ATOM 349 CA PRO A 22 26.614 3.041 -20.329 1.00 12.52 C ATOM 350 C PRO A 22 25.496 4.028 -20.006 1.00 25.41 C ATOM 351 O PRO A 22 25.694 4.976 -19.248 1.00 4.50 O ATOM 352 CB PRO A 22 27.473 3.566 -21.482 1.00 60.20 C ATOM 353 CG PRO A 22 26.900 2.929 -22.701 1.00 65.20 C ATOM 354 CD PRO A 22 26.405 1.577 -22.268 1.00 33.12 C ATOM 0 HA PRO A 22 27.161 2.915 -19.395 1.00 12.52 H new ATOM 0 HB2 PRO A 22 27.429 4.653 -21.545 1.00 60.20 H new ATOM 0 HB3 PRO A 22 28.521 3.297 -21.350 1.00 60.20 H new ATOM 0 HG2 PRO A 22 26.087 3.530 -23.110 1.00 65.20 H new ATOM 0 HG3 PRO A 22 27.653 2.837 -23.484 1.00 65.20 H new ATOM 0 HD2 PRO A 22 25.521 1.274 -22.829 1.00 33.12 H new ATOM 0 HD3 PRO A 22 27.159 0.805 -22.420 1.00 33.12 H new ATOM 362 N GLU A 23 24.323 3.796 -20.586 1.00 31.12 N ATOM 363 CA GLU A 23 23.175 4.665 -20.359 1.00 15.42 C ATOM 364 C GLU A 23 22.938 4.876 -18.866 1.00 31.40 C ATOM 365 O GLU A 23 22.345 5.872 -18.455 1.00 43.32 O ATOM 366 CB GLU A 23 21.922 4.072 -21.006 1.00 55.03 C ATOM 367 CG GLU A 23 21.814 2.564 -20.854 1.00 51.04 C ATOM 368 CD GLU A 23 21.547 1.862 -22.172 1.00 45.50 C ATOM 369 OE1 GLU A 23 22.250 2.166 -23.159 1.00 33.31 O ATOM 370 OE2 GLU A 23 20.636 1.010 -22.216 1.00 21.44 O ATOM 0 H GLU A 23 24.143 3.014 -21.216 1.00 31.12 H new ATOM 0 HA GLU A 23 23.388 5.631 -20.816 1.00 15.42 H new ATOM 0 HB2 GLU A 23 21.041 4.537 -20.565 1.00 55.03 H new ATOM 0 HB3 GLU A 23 21.918 4.323 -22.067 1.00 55.03 H new ATOM 0 HG2 GLU A 23 22.738 2.179 -20.422 1.00 51.04 H new ATOM 0 HG3 GLU A 23 21.013 2.330 -20.153 1.00 51.04 H new ATOM 377 N ASN A 24 23.406 3.928 -18.060 1.00 14.25 N ATOM 378 CA ASN A 24 23.244 4.008 -16.612 1.00 43.33 C ATOM 379 C ASN A 24 24.101 5.129 -16.031 1.00 31.24 C ATOM 380 O ASN A 24 25.319 4.997 -15.914 1.00 75.02 O ATOM 381 CB ASN A 24 23.619 2.675 -15.962 1.00 33.10 C ATOM 382 CG ASN A 24 22.718 2.329 -14.792 1.00 73.02 C ATOM 383 OD1 ASN A 24 21.635 1.612 -15.071 1.00 62.35 O flip ATOM 384 ND2 ASN A 24 22.992 2.702 -13.651 1.00 42.22 N flip ATOM 0 H ASN A 24 23.900 3.096 -18.384 1.00 14.25 H new ATOM 0 HA ASN A 24 22.198 4.226 -16.399 1.00 43.33 H new ATOM 0 HB2 ASN A 24 23.563 1.882 -16.707 1.00 33.10 H new ATOM 0 HB3 ASN A 24 24.653 2.719 -15.620 1.00 33.10 H new ATOM 0 HD21 ASN A 24 23.835 3.251 -13.483 1.00 42.22 H new ATOM 0 HD22 ASN A 24 22.376 2.462 -12.874 1.00 42.22 H new ATOM 391 N GLY A 25 23.455 6.232 -15.666 1.00 53.31 N ATOM 392 CA GLY A 25 24.172 7.360 -15.101 1.00 25.45 C ATOM 393 C GLY A 25 24.056 8.608 -15.953 1.00 63.40 C ATOM 394 O GLY A 25 24.403 9.704 -15.513 1.00 52.50 O ATOM 0 H GLY A 25 22.447 6.365 -15.752 1.00 53.31 H new ATOM 0 HA2 GLY A 25 23.786 7.568 -14.103 1.00 25.45 H new ATOM 0 HA3 GLY A 25 25.224 7.098 -14.988 1.00 25.45 H new ATOM 398 N THR A 26 23.569 8.442 -17.179 1.00 14.03 N ATOM 399 CA THR A 26 23.410 9.563 -18.096 1.00 44.22 C ATOM 400 C THR A 26 22.032 10.198 -17.956 1.00 53.20 C ATOM 401 O THR A 26 21.902 11.422 -17.938 1.00 75.23 O ATOM 402 CB THR A 26 23.615 9.125 -19.559 1.00 1.42 C ATOM 403 OG1 THR A 26 24.846 8.406 -19.687 1.00 65.20 O ATOM 404 CG2 THR A 26 23.627 10.330 -20.488 1.00 13.13 C ATOM 0 H THR A 26 23.278 7.541 -17.559 1.00 14.03 H new ATOM 0 HA THR A 26 24.172 10.296 -17.833 1.00 44.22 H new ATOM 0 HB THR A 26 22.785 8.477 -19.841 1.00 1.42 H new ATOM 0 HG1 THR A 26 24.968 8.130 -20.619 1.00 65.20 H new ATOM 0 HG21 THR A 26 23.773 9.996 -21.515 1.00 13.13 H new ATOM 0 HG22 THR A 26 22.677 10.859 -20.410 1.00 13.13 H new ATOM 0 HG23 THR A 26 24.439 10.999 -20.205 1.00 13.13 H new ATOM 412 N GLN A 27 21.006 9.359 -17.856 1.00 61.21 N ATOM 413 CA GLN A 27 19.637 9.840 -17.717 1.00 74.23 C ATOM 414 C GLN A 27 19.089 9.530 -16.328 1.00 1.11 C ATOM 415 O GLN A 27 18.010 9.993 -15.956 1.00 71.33 O ATOM 416 CB GLN A 27 18.741 9.207 -18.784 1.00 0.50 C ATOM 417 CG GLN A 27 19.008 9.726 -20.188 1.00 13.22 C ATOM 418 CD GLN A 27 17.741 10.158 -20.901 1.00 25.22 C ATOM 419 OE1 GLN A 27 16.997 9.329 -21.425 1.00 30.21 O ATOM 420 NE2 GLN A 27 17.490 11.461 -20.924 1.00 50.52 N ATOM 0 H GLN A 27 21.097 8.343 -17.869 1.00 61.21 H new ATOM 0 HA GLN A 27 19.643 10.922 -17.852 1.00 74.23 H new ATOM 0 HB2 GLN A 27 18.883 8.126 -18.772 1.00 0.50 H new ATOM 0 HB3 GLN A 27 17.698 9.394 -18.529 1.00 0.50 H new ATOM 0 HG2 GLN A 27 19.696 10.570 -20.135 1.00 13.22 H new ATOM 0 HG3 GLN A 27 19.501 8.948 -20.771 1.00 13.22 H new ATOM 0 HE21 GLN A 27 18.135 12.113 -20.476 1.00 50.52 H new ATOM 0 HE22 GLN A 27 16.652 11.811 -21.389 1.00 50.52 H new ATOM 429 N THR A 28 19.840 8.744 -15.563 1.00 31.41 N ATOM 430 CA THR A 28 19.429 8.371 -14.215 1.00 64.42 C ATOM 431 C THR A 28 18.963 9.588 -13.426 1.00 1.34 C ATOM 432 O THR A 28 19.346 10.724 -13.706 1.00 44.22 O ATOM 433 CB THR A 28 20.576 7.684 -13.449 1.00 34.04 C ATOM 434 OG1 THR A 28 20.145 6.407 -12.965 1.00 23.23 O ATOM 435 CG2 THR A 28 21.038 8.544 -12.282 1.00 42.34 C ATOM 0 H THR A 28 20.736 8.353 -15.854 1.00 31.41 H new ATOM 0 HA THR A 28 18.600 7.671 -14.319 1.00 64.42 H new ATOM 0 HB THR A 28 21.413 7.549 -14.135 1.00 34.04 H new ATOM 0 HG1 THR A 28 19.704 5.915 -13.689 1.00 23.23 H new ATOM 0 HG21 THR A 28 21.848 8.039 -11.756 1.00 42.34 H new ATOM 0 HG22 THR A 28 21.392 9.505 -12.656 1.00 42.34 H new ATOM 0 HG23 THR A 28 20.206 8.705 -11.597 1.00 42.34 H new ATOM 443 N PRO A 29 18.116 9.349 -12.413 1.00 43.43 N ATOM 444 CA PRO A 29 17.580 10.415 -11.561 1.00 43.02 C ATOM 445 C PRO A 29 18.645 11.024 -10.656 1.00 4.12 C ATOM 446 O PRO A 29 18.610 10.852 -9.437 1.00 41.44 O ATOM 447 CB PRO A 29 16.515 9.700 -10.727 1.00 74.00 C ATOM 448 CG PRO A 29 16.948 8.275 -10.700 1.00 32.11 C ATOM 449 CD PRO A 29 17.617 8.020 -12.022 1.00 42.31 C ATOM 0 HA PRO A 29 17.194 11.249 -12.146 1.00 43.02 H new ATOM 0 HB2 PRO A 29 16.456 10.115 -9.721 1.00 74.00 H new ATOM 0 HB3 PRO A 29 15.526 9.805 -11.174 1.00 74.00 H new ATOM 0 HG2 PRO A 29 17.635 8.091 -9.873 1.00 32.11 H new ATOM 0 HG3 PRO A 29 16.095 7.611 -10.560 1.00 32.11 H new ATOM 0 HD2 PRO A 29 18.428 7.297 -11.929 1.00 42.31 H new ATOM 0 HD3 PRO A 29 16.917 7.621 -12.756 1.00 42.31 H new ATOM 457 N SER A 30 19.592 11.737 -11.259 1.00 74.41 N ATOM 458 CA SER A 30 20.669 12.369 -10.507 1.00 21.30 C ATOM 459 C SER A 30 20.119 13.425 -9.553 1.00 70.12 C ATOM 460 O SER A 30 19.042 13.985 -9.761 1.00 23.14 O ATOM 461 CB SER A 30 21.681 13.005 -11.462 1.00 20.02 C ATOM 462 OG SER A 30 22.149 14.244 -10.957 1.00 64.42 O ATOM 0 H SER A 30 19.635 11.891 -12.266 1.00 74.41 H new ATOM 0 HA SER A 30 21.169 11.599 -9.919 1.00 21.30 H new ATOM 0 HB2 SER A 30 22.522 12.328 -11.610 1.00 20.02 H new ATOM 0 HB3 SER A 30 21.219 13.157 -12.438 1.00 20.02 H new ATOM 0 HG SER A 30 22.795 14.630 -11.584 1.00 64.42 H new ATOM 468 N PRO A 31 20.875 13.704 -8.481 1.00 43.33 N ATOM 469 CA PRO A 31 20.485 14.695 -7.474 1.00 30.24 C ATOM 470 C PRO A 31 20.544 16.121 -8.009 1.00 42.24 C ATOM 471 O PRO A 31 21.093 16.386 -9.079 1.00 61.23 O ATOM 472 CB PRO A 31 21.520 14.497 -6.363 1.00 14.41 C ATOM 473 CG PRO A 31 22.709 13.922 -7.051 1.00 31.30 C ATOM 474 CD PRO A 31 22.170 13.075 -8.171 1.00 10.22 C ATOM 0 HA PRO A 31 19.455 14.558 -7.146 1.00 30.24 H new ATOM 0 HB2 PRO A 31 21.763 15.441 -5.875 1.00 14.41 H new ATOM 0 HB3 PRO A 31 21.147 13.826 -5.590 1.00 14.41 H new ATOM 0 HG2 PRO A 31 23.357 14.710 -7.435 1.00 31.30 H new ATOM 0 HG3 PRO A 31 23.307 13.325 -6.363 1.00 31.30 H new ATOM 0 HD2 PRO A 31 22.836 13.079 -9.034 1.00 10.22 H new ATOM 0 HD3 PRO A 31 22.049 12.035 -7.866 1.00 10.22 H new ATOM 482 N PRO A 32 19.967 17.064 -7.250 1.00 33.00 N ATOM 483 CA PRO A 32 19.942 18.480 -7.629 1.00 31.14 C ATOM 484 C PRO A 32 21.322 19.125 -7.552 1.00 74.32 C ATOM 485 O PRO A 32 22.024 18.993 -6.550 1.00 41.10 O ATOM 486 CB PRO A 32 19.001 19.107 -6.597 1.00 31.45 C ATOM 487 CG PRO A 32 19.080 18.204 -5.414 1.00 64.11 C ATOM 488 CD PRO A 32 19.294 16.820 -5.963 1.00 0.30 C ATOM 0 HA PRO A 32 19.620 18.620 -8.661 1.00 31.14 H new ATOM 0 HB2 PRO A 32 19.311 20.121 -6.343 1.00 31.45 H new ATOM 0 HB3 PRO A 32 17.982 19.172 -6.978 1.00 31.45 H new ATOM 0 HG2 PRO A 32 19.899 18.494 -4.756 1.00 64.11 H new ATOM 0 HG3 PRO A 32 18.165 18.253 -4.824 1.00 64.11 H new ATOM 0 HD2 PRO A 32 19.908 16.214 -5.297 1.00 0.30 H new ATOM 0 HD3 PRO A 32 18.351 16.290 -6.097 1.00 0.30 H new ATOM 496 N SER A 33 21.704 19.822 -8.617 1.00 55.42 N ATOM 497 CA SER A 33 23.001 20.485 -8.672 1.00 2.24 C ATOM 498 C SER A 33 22.900 21.920 -8.162 1.00 63.24 C ATOM 499 O SER A 33 23.850 22.454 -7.591 1.00 12.34 O ATOM 500 CB SER A 33 23.542 20.477 -10.103 1.00 22.23 C ATOM 501 OG SER A 33 23.654 19.154 -10.598 1.00 30.21 O ATOM 0 H SER A 33 21.133 19.942 -9.454 1.00 55.42 H new ATOM 0 HA SER A 33 23.689 19.937 -8.028 1.00 2.24 H new ATOM 0 HB2 SER A 33 22.881 21.055 -10.748 1.00 22.23 H new ATOM 0 HB3 SER A 33 24.518 20.962 -10.129 1.00 22.23 H new ATOM 0 HG SER A 33 24.000 19.176 -11.515 1.00 30.21 H new ATOM 507 N GLU A 34 21.742 22.537 -8.375 1.00 60.51 N ATOM 508 CA GLU A 34 21.517 23.910 -7.938 1.00 70.55 C ATOM 509 C GLU A 34 20.855 23.942 -6.564 1.00 23.22 C ATOM 510 O GLU A 34 21.010 24.902 -5.809 1.00 45.44 O ATOM 511 CB GLU A 34 20.647 24.655 -8.953 1.00 20.40 C ATOM 512 CG GLU A 34 21.247 24.706 -10.348 1.00 2.11 C ATOM 513 CD GLU A 34 21.233 26.103 -10.938 1.00 20.11 C ATOM 514 OE1 GLU A 34 20.137 26.693 -11.038 1.00 73.32 O ATOM 515 OE2 GLU A 34 22.317 26.606 -11.299 1.00 41.04 O ATOM 0 H GLU A 34 20.946 22.108 -8.847 1.00 60.51 H new ATOM 0 HA GLU A 34 22.485 24.405 -7.867 1.00 70.55 H new ATOM 0 HB2 GLU A 34 19.670 24.174 -9.004 1.00 20.40 H new ATOM 0 HB3 GLU A 34 20.483 25.673 -8.600 1.00 20.40 H new ATOM 0 HG2 GLU A 34 22.274 24.341 -10.312 1.00 2.11 H new ATOM 0 HG3 GLU A 34 20.693 24.033 -11.003 1.00 2.11 H new ATOM 522 N LYS A 35 20.116 22.885 -6.245 1.00 31.13 N ATOM 523 CA LYS A 35 19.430 22.790 -4.962 1.00 21.55 C ATOM 524 C LYS A 35 18.463 23.954 -4.774 1.00 3.25 C ATOM 525 O LYS A 35 17.449 24.050 -5.466 1.00 24.14 O ATOM 526 CB LYS A 35 20.446 22.767 -3.817 1.00 62.44 C ATOM 527 CG LYS A 35 20.645 21.389 -3.208 1.00 44.44 C ATOM 528 CD LYS A 35 21.185 21.479 -1.791 1.00 14.33 C ATOM 529 CE LYS A 35 20.110 21.154 -0.764 1.00 65.12 C ATOM 530 NZ LYS A 35 20.308 19.806 -0.163 1.00 73.44 N ATOM 0 H LYS A 35 19.977 22.082 -6.858 1.00 31.13 H new ATOM 0 HA LYS A 35 18.859 21.861 -4.952 1.00 21.55 H new ATOM 0 HB2 LYS A 35 21.404 23.134 -4.185 1.00 62.44 H new ATOM 0 HB3 LYS A 35 20.119 23.456 -3.038 1.00 62.44 H new ATOM 0 HG2 LYS A 35 19.697 20.852 -3.204 1.00 44.44 H new ATOM 0 HG3 LYS A 35 21.335 20.813 -3.825 1.00 44.44 H new ATOM 0 HD2 LYS A 35 22.021 20.790 -1.675 1.00 14.33 H new ATOM 0 HD3 LYS A 35 21.571 22.482 -1.610 1.00 14.33 H new ATOM 0 HE2 LYS A 35 20.120 21.908 0.023 1.00 65.12 H new ATOM 0 HE3 LYS A 35 19.129 21.200 -1.237 1.00 65.12 H new ATOM 0 HZ1 LYS A 35 19.556 19.622 0.531 1.00 73.44 H new ATOM 0 HZ2 LYS A 35 20.273 19.084 -0.911 1.00 73.44 H new ATOM 0 HZ3 LYS A 35 21.233 19.770 0.311 1.00 73.44 H new TER 544 LYS A 35