USER MOD reduce.3.24.130724 H: found=0, std=0, add=504, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 494 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 7 TYR OH : rot 15:sc= -0.356 USER MOD Set 1.2: A 35 LYS NZ :NH3+ 160:sc= 0.148 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ -126:sc= -1.05 (180deg=-4!) USER MOD Single : A 2 ASN : amide:sc= -0.0195 X(o=-0.019,f=0) USER MOD Single : A 8 LYS NZ :NH3+ -149:sc= -0.108 (180deg=-0.624) USER MOD Single : A 14 GLN : amide:sc= -0.346 K(o=-0.35,f=-0.94) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 155:sc= -2.99! (180deg=-4.51!) USER MOD Single : A 36 GLN : amide:sc= -3.36! C(o=-3.4!,f=-3.2!) USER MOD Single : B 1 ALA N :NH3+ -104:sc= 0.15 (180deg=0) USER MOD Single : B 2 ASN : amide:sc= -0.438 K(o=-0.44,f=-2.8!) USER MOD Single : B 7 TYR OH : rot 100:sc= -1.57! USER MOD Single : B 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 14 GLN : amide:sc= -0.402 K(o=-0.4,f=-1.9!) USER MOD Single : B 17 LYS NZ :NH3+ 152:sc= -0.385 (180deg=-1.42!) USER MOD Single : B 25 THR OG1 : rot 180:sc= 0 USER MOD Single : B 33 MET CE :methyl -143:sc= -4.05 (180deg=-10.3!) USER MOD Single : B 35 LYS NZ :NH3+ 161:sc= -4.99! (180deg=-6.22!) USER MOD Single : B 36 GLN : amide:sc= -3.73! C(o=-3.7!,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.857 -0.806 1.245 1.00 63.44 N ATOM 2 CA ALA A 1 2.004 -0.521 -0.172 1.00 1.01 C ATOM 3 C ALA A 1 1.143 -1.496 -0.977 1.00 74.11 C ATOM 4 O ALA A 1 0.636 -2.476 -0.433 1.00 13.42 O ATOM 5 CB ALA A 1 3.482 -0.595 -0.558 1.00 64.30 C ATOM 0 H1 ALA A 1 1.577 0.061 1.746 1.00 63.44 H new ATOM 0 H2 ALA A 1 1.127 -1.535 1.379 1.00 63.44 H new ATOM 0 H3 ALA A 1 2.762 -1.149 1.626 1.00 63.44 H new ATOM 0 HA ALA A 1 1.658 0.488 -0.397 1.00 1.01 H new ATOM 0 HB1 ALA A 1 3.592 -0.381 -1.621 1.00 64.30 H new ATOM 0 HB2 ALA A 1 4.046 0.137 0.019 1.00 64.30 H new ATOM 0 HB3 ALA A 1 3.863 -1.594 -0.348 1.00 64.30 H new ATOM 11 N ASN A 2 1.002 -1.193 -2.259 1.00 63.42 N ATOM 12 CA ASN A 2 0.210 -2.031 -3.143 1.00 45.24 C ATOM 13 C ASN A 2 1.126 -2.669 -4.190 1.00 42.31 C ATOM 14 O ASN A 2 2.033 -2.017 -4.708 1.00 34.33 O ATOM 15 CB ASN A 2 -0.848 -1.207 -3.881 1.00 22.34 C ATOM 16 CG ASN A 2 -2.240 -1.453 -3.295 1.00 50.14 C ATOM 17 OD1 ASN A 2 -2.488 -1.262 -2.117 1.00 20.43 O ATOM 18 ND2 ASN A 2 -3.131 -1.886 -4.182 1.00 64.55 N ATOM 0 H ASN A 2 1.423 -0.379 -2.707 1.00 63.42 H new ATOM 0 HA ASN A 2 -0.282 -2.791 -2.536 1.00 45.24 H new ATOM 0 HB2 ASN A 2 -0.602 -0.147 -3.812 1.00 22.34 H new ATOM 0 HB3 ASN A 2 -0.844 -1.467 -4.940 1.00 22.34 H new ATOM 0 HD21 ASN A 2 -4.089 -2.079 -3.890 1.00 64.55 H new ATOM 0 HD22 ASN A 2 -2.856 -2.025 -5.154 1.00 64.55 H new ATOM 25 N GLU A 3 0.858 -3.936 -4.471 1.00 54.31 N ATOM 26 CA GLU A 3 1.647 -4.669 -5.446 1.00 45.10 C ATOM 27 C GLU A 3 1.603 -3.963 -6.803 1.00 20.22 C ATOM 28 O GLU A 3 0.682 -3.195 -7.079 1.00 24.35 O ATOM 29 CB GLU A 3 1.164 -6.116 -5.566 1.00 2.34 C ATOM 30 CG GLU A 3 1.273 -6.843 -4.223 1.00 51.33 C ATOM 31 CD GLU A 3 0.861 -8.310 -4.359 1.00 63.13 C ATOM 32 OE1 GLU A 3 1.302 -8.994 -5.295 1.00 22.24 O ATOM 33 OE2 GLU A 3 0.053 -8.735 -3.449 1.00 32.42 O ATOM 0 H GLU A 3 0.105 -4.473 -4.040 1.00 54.31 H new ATOM 0 HA GLU A 3 2.681 -4.693 -5.103 1.00 45.10 H new ATOM 0 HB2 GLU A 3 0.129 -6.131 -5.909 1.00 2.34 H new ATOM 0 HB3 GLU A 3 1.756 -6.640 -6.316 1.00 2.34 H new ATOM 0 HG2 GLU A 3 2.297 -6.782 -3.854 1.00 51.33 H new ATOM 0 HG3 GLU A 3 0.639 -6.350 -3.486 1.00 51.33 H new ATOM 40 N GLY A 4 2.611 -4.248 -7.615 1.00 3.40 N ATOM 41 CA GLY A 4 2.700 -3.650 -8.936 1.00 55.22 C ATOM 42 C GLY A 4 2.968 -2.146 -8.840 1.00 72.53 C ATOM 43 O GLY A 4 2.445 -1.367 -9.636 1.00 53.35 O ATOM 0 H GLY A 4 3.373 -4.885 -7.383 1.00 3.40 H new ATOM 0 HA2 GLY A 4 3.498 -4.130 -9.503 1.00 55.22 H new ATOM 0 HA3 GLY A 4 1.772 -3.824 -9.481 1.00 55.22 H new ATOM 47 N ASP A 5 3.782 -1.784 -7.860 1.00 54.43 N ATOM 48 CA ASP A 5 4.126 -0.388 -7.650 1.00 62.24 C ATOM 49 C ASP A 5 5.639 -0.214 -7.788 1.00 43.12 C ATOM 50 O ASP A 5 6.375 -1.195 -7.883 1.00 60.04 O ATOM 51 CB ASP A 5 3.722 0.075 -6.249 1.00 64.13 C ATOM 52 CG ASP A 5 2.321 0.679 -6.147 1.00 35.34 C ATOM 53 OD1 ASP A 5 2.248 1.938 -6.415 1.00 30.00 O ATOM 54 OD2 ASP A 5 1.346 -0.019 -5.826 1.00 51.25 O ATOM 0 H ASP A 5 4.214 -2.433 -7.202 1.00 54.43 H new ATOM 0 HA ASP A 5 3.593 0.206 -8.393 1.00 62.24 H new ATOM 0 HB2 ASP A 5 3.785 -0.775 -5.570 1.00 64.13 H new ATOM 0 HB3 ASP A 5 4.446 0.813 -5.904 1.00 64.13 H new ATOM 59 N VAL A 6 6.061 1.043 -7.794 1.00 10.04 N ATOM 60 CA VAL A 6 7.474 1.357 -7.917 1.00 12.40 C ATOM 61 C VAL A 6 7.866 2.360 -6.831 1.00 15.50 C ATOM 62 O VAL A 6 7.073 3.229 -6.467 1.00 52.14 O ATOM 63 CB VAL A 6 7.776 1.860 -9.331 1.00 75.52 C ATOM 64 CG1 VAL A 6 9.033 2.731 -9.346 1.00 64.02 C ATOM 65 CG2 VAL A 6 7.907 0.691 -10.311 1.00 53.11 C ATOM 0 H VAL A 6 5.449 1.855 -7.716 1.00 10.04 H new ATOM 0 HA VAL A 6 8.078 0.462 -7.767 1.00 12.40 H new ATOM 0 HB VAL A 6 6.938 2.477 -9.654 1.00 75.52 H new ATOM 0 HG11 VAL A 6 9.225 3.075 -10.362 1.00 64.02 H new ATOM 0 HG12 VAL A 6 8.887 3.591 -8.693 1.00 64.02 H new ATOM 0 HG13 VAL A 6 9.884 2.148 -8.994 1.00 64.02 H new ATOM 0 HG21 VAL A 6 8.121 1.075 -11.308 1.00 53.11 H new ATOM 0 HG22 VAL A 6 8.719 0.037 -9.991 1.00 53.11 H new ATOM 0 HG23 VAL A 6 6.974 0.127 -10.332 1.00 53.11 H new ATOM 75 N TYR A 7 9.087 2.209 -6.341 1.00 61.44 N ATOM 76 CA TYR A 7 9.594 3.090 -5.304 1.00 4.22 C ATOM 77 C TYR A 7 10.980 3.627 -5.669 1.00 14.14 C ATOM 78 O TYR A 7 11.927 2.857 -5.821 1.00 70.34 O ATOM 79 CB TYR A 7 9.707 2.234 -4.042 1.00 30.23 C ATOM 80 CG TYR A 7 8.447 2.236 -3.172 1.00 62.33 C ATOM 81 CD1 TYR A 7 8.195 3.296 -2.327 1.00 2.33 C ATOM 82 CD2 TYR A 7 7.563 1.177 -3.237 1.00 4.24 C ATOM 83 CE1 TYR A 7 7.009 3.299 -1.509 1.00 61.32 C ATOM 84 CE2 TYR A 7 6.378 1.180 -2.419 1.00 42.15 C ATOM 85 CZ TYR A 7 6.159 2.240 -1.596 1.00 24.45 C ATOM 86 OH TYR A 7 5.040 2.242 -0.824 1.00 12.41 O ATOM 0 H TYR A 7 9.741 1.488 -6.644 1.00 61.44 H new ATOM 0 HA TYR A 7 8.933 3.946 -5.170 1.00 4.22 H new ATOM 0 HB2 TYR A 7 9.935 1.208 -4.331 1.00 30.23 H new ATOM 0 HB3 TYR A 7 10.547 2.592 -3.447 1.00 30.23 H new ATOM 0 HD1 TYR A 7 8.887 4.124 -2.278 1.00 2.33 H new ATOM 0 HD2 TYR A 7 7.760 0.348 -3.900 1.00 4.24 H new ATOM 0 HE1 TYR A 7 6.800 4.122 -0.842 1.00 61.32 H new ATOM 0 HE2 TYR A 7 5.678 0.358 -2.458 1.00 42.15 H new ATOM 0 HH TYR A 7 4.887 3.144 -0.472 1.00 12.41 H new ATOM 96 N LYS A 8 11.054 4.943 -5.796 1.00 44.32 N ATOM 97 CA LYS A 8 12.309 5.591 -6.139 1.00 71.14 C ATOM 98 C LYS A 8 12.798 6.412 -4.943 1.00 55.12 C ATOM 99 O LYS A 8 12.030 7.165 -4.348 1.00 0.21 O ATOM 100 CB LYS A 8 12.156 6.408 -7.424 1.00 42.22 C ATOM 101 CG LYS A 8 13.452 7.150 -7.760 1.00 34.20 C ATOM 102 CD LYS A 8 13.318 8.646 -7.471 1.00 0.32 C ATOM 103 CE LYS A 8 13.195 9.446 -8.769 1.00 74.44 C ATOM 104 NZ LYS A 8 14.423 9.306 -9.583 1.00 22.53 N ATOM 0 H LYS A 8 10.266 5.578 -5.668 1.00 44.32 H new ATOM 0 HA LYS A 8 13.077 4.847 -6.351 1.00 71.14 H new ATOM 0 HB2 LYS A 8 11.886 5.748 -8.249 1.00 42.22 H new ATOM 0 HB3 LYS A 8 11.342 7.124 -7.309 1.00 42.22 H new ATOM 0 HG2 LYS A 8 14.274 6.736 -7.177 1.00 34.20 H new ATOM 0 HG3 LYS A 8 13.699 7.000 -8.811 1.00 34.20 H new ATOM 0 HD2 LYS A 8 12.442 8.822 -6.847 1.00 0.32 H new ATOM 0 HD3 LYS A 8 14.186 8.990 -6.908 1.00 0.32 H new ATOM 0 HE2 LYS A 8 12.333 9.097 -9.338 1.00 74.44 H new ATOM 0 HE3 LYS A 8 13.021 10.497 -8.540 1.00 74.44 H new ATOM 0 HZ1 LYS A 8 14.576 10.176 -10.132 1.00 22.53 H new ATOM 0 HZ2 LYS A 8 15.238 9.144 -8.957 1.00 22.53 H new ATOM 0 HZ3 LYS A 8 14.319 8.500 -10.232 1.00 22.53 H new ATOM 117 N CYS A 9 14.073 6.238 -4.629 1.00 32.12 N ATOM 118 CA CYS A 9 14.673 6.952 -3.516 1.00 2.11 C ATOM 119 C CYS A 9 14.900 8.404 -3.943 1.00 4.33 C ATOM 120 O CYS A 9 15.312 8.666 -5.072 1.00 23.12 O ATOM 121 CB CYS A 9 15.969 6.286 -3.048 1.00 41.32 C ATOM 122 SG CYS A 9 16.743 7.059 -1.579 1.00 25.00 S ATOM 0 H CYS A 9 14.707 5.613 -5.126 1.00 32.12 H new ATOM 0 HA CYS A 9 13.999 6.927 -2.660 1.00 2.11 H new ATOM 0 HB2 CYS A 9 15.763 5.239 -2.824 1.00 41.32 H new ATOM 0 HB3 CYS A 9 16.686 6.301 -3.869 1.00 41.32 H new ATOM 127 N GLU A 10 14.621 9.310 -3.018 1.00 12.33 N ATOM 128 CA GLU A 10 14.789 10.728 -3.284 1.00 53.52 C ATOM 129 C GLU A 10 16.165 11.199 -2.808 1.00 1.24 C ATOM 130 O GLU A 10 16.318 12.336 -2.364 1.00 53.31 O ATOM 131 CB GLU A 10 13.674 11.546 -2.629 1.00 74.50 C ATOM 132 CG GLU A 10 12.503 11.747 -3.594 1.00 40.54 C ATOM 133 CD GLU A 10 12.625 13.082 -4.333 1.00 71.23 C ATOM 134 OE1 GLU A 10 13.737 13.488 -4.700 1.00 2.25 O ATOM 135 OE2 GLU A 10 11.511 13.702 -4.524 1.00 12.34 O ATOM 0 H GLU A 10 14.279 9.089 -2.083 1.00 12.33 H new ATOM 0 HA GLU A 10 14.725 10.884 -4.361 1.00 53.52 H new ATOM 0 HB2 GLU A 10 13.326 11.038 -1.730 1.00 74.50 H new ATOM 0 HB3 GLU A 10 14.064 12.515 -2.317 1.00 74.50 H new ATOM 0 HG2 GLU A 10 12.476 10.929 -4.314 1.00 40.54 H new ATOM 0 HG3 GLU A 10 11.563 11.717 -3.043 1.00 40.54 H new ATOM 142 N LEU A 11 17.132 10.299 -2.915 1.00 41.33 N ATOM 143 CA LEU A 11 18.490 10.608 -2.502 1.00 4.52 C ATOM 144 C LEU A 11 19.472 10.061 -3.539 1.00 41.50 C ATOM 145 O LEU A 11 20.156 10.828 -4.216 1.00 25.34 O ATOM 146 CB LEU A 11 18.747 10.096 -1.082 1.00 70.12 C ATOM 147 CG LEU A 11 18.841 11.164 0.009 1.00 22.12 C ATOM 148 CD1 LEU A 11 17.821 10.905 1.120 1.00 32.51 C ATOM 149 CD2 LEU A 11 20.267 11.267 0.553 1.00 2.35 C ATOM 0 H LEU A 11 17.002 9.356 -3.282 1.00 41.33 H new ATOM 0 HA LEU A 11 18.639 11.687 -2.460 1.00 4.52 H new ATOM 0 HB2 LEU A 11 17.948 9.403 -0.817 1.00 70.12 H new ATOM 0 HB3 LEU A 11 19.676 9.526 -1.085 1.00 70.12 H new ATOM 0 HG LEU A 11 18.595 12.129 -0.435 1.00 22.12 H new ATOM 0 HD11 LEU A 11 17.909 11.679 1.883 1.00 32.51 H new ATOM 0 HD12 LEU A 11 16.815 10.921 0.701 1.00 32.51 H new ATOM 0 HD13 LEU A 11 18.011 9.930 1.569 1.00 32.51 H new ATOM 0 HD21 LEU A 11 20.307 12.033 1.327 1.00 2.35 H new ATOM 0 HD22 LEU A 11 20.565 10.308 0.976 1.00 2.35 H new ATOM 0 HD23 LEU A 11 20.947 11.533 -0.256 1.00 2.35 H new ATOM 161 N CYS A 12 19.510 8.740 -3.633 1.00 72.15 N ATOM 162 CA CYS A 12 20.396 8.082 -4.578 1.00 22.11 C ATOM 163 C CYS A 12 19.675 7.979 -5.923 1.00 73.03 C ATOM 164 O CYS A 12 20.254 8.277 -6.966 1.00 43.50 O ATOM 165 CB CYS A 12 20.851 6.713 -4.068 1.00 32.12 C ATOM 166 SG CYS A 12 19.493 5.588 -3.578 1.00 64.22 S ATOM 0 H CYS A 12 18.941 8.107 -3.070 1.00 72.15 H new ATOM 0 HA CYS A 12 21.304 8.672 -4.699 1.00 22.11 H new ATOM 0 HB2 CYS A 12 21.442 6.229 -4.845 1.00 32.12 H new ATOM 0 HB3 CYS A 12 21.509 6.860 -3.212 1.00 32.12 H new ATOM 171 N GLY A 13 18.421 7.557 -5.855 1.00 22.45 N ATOM 172 CA GLY A 13 17.614 7.411 -7.055 1.00 25.43 C ATOM 173 C GLY A 13 17.385 5.935 -7.385 1.00 73.32 C ATOM 174 O GLY A 13 17.235 5.572 -8.551 1.00 32.20 O ATOM 0 H GLY A 13 17.944 7.311 -4.988 1.00 22.45 H new ATOM 0 HA2 GLY A 13 16.655 7.909 -6.915 1.00 25.43 H new ATOM 0 HA3 GLY A 13 18.109 7.902 -7.893 1.00 25.43 H new ATOM 178 N GLN A 14 17.366 5.123 -6.339 1.00 21.43 N ATOM 179 CA GLN A 14 17.158 3.694 -6.503 1.00 23.11 C ATOM 180 C GLN A 14 15.671 3.394 -6.704 1.00 51.32 C ATOM 181 O GLN A 14 14.850 3.702 -5.842 1.00 21.33 O ATOM 182 CB GLN A 14 17.717 2.917 -5.310 1.00 3.35 C ATOM 183 CG GLN A 14 17.396 1.426 -5.426 1.00 61.11 C ATOM 184 CD GLN A 14 18.328 0.594 -4.543 1.00 61.34 C ATOM 185 OE1 GLN A 14 19.020 -0.303 -4.999 1.00 14.31 O ATOM 186 NE2 GLN A 14 18.308 0.938 -3.259 1.00 54.14 N ATOM 0 H GLN A 14 17.491 5.427 -5.374 1.00 21.43 H new ATOM 0 HA GLN A 14 17.699 3.368 -7.392 1.00 23.11 H new ATOM 0 HB2 GLN A 14 18.797 3.057 -5.254 1.00 3.35 H new ATOM 0 HB3 GLN A 14 17.296 3.312 -4.385 1.00 3.35 H new ATOM 0 HG2 GLN A 14 16.360 1.250 -5.135 1.00 61.11 H new ATOM 0 HG3 GLN A 14 17.494 1.109 -6.464 1.00 61.11 H new ATOM 0 HE21 GLN A 14 17.706 1.698 -2.944 1.00 54.14 H new ATOM 0 HE22 GLN A 14 18.895 0.442 -2.589 1.00 54.14 H new ATOM 195 N VAL A 15 15.370 2.797 -7.848 1.00 34.12 N ATOM 196 CA VAL A 15 13.997 2.451 -8.173 1.00 12.34 C ATOM 197 C VAL A 15 13.820 0.935 -8.077 1.00 12.33 C ATOM 198 O VAL A 15 14.593 0.178 -8.662 1.00 72.11 O ATOM 199 CB VAL A 15 13.629 3.010 -9.549 1.00 4.02 C ATOM 200 CG1 VAL A 15 12.113 2.987 -9.763 1.00 4.34 C ATOM 201 CG2 VAL A 15 14.187 4.423 -9.735 1.00 24.41 C ATOM 0 H VAL A 15 16.054 2.544 -8.561 1.00 34.12 H new ATOM 0 HA VAL A 15 13.310 2.903 -7.458 1.00 12.34 H new ATOM 0 HB VAL A 15 14.084 2.368 -10.303 1.00 4.02 H new ATOM 0 HG11 VAL A 15 11.879 3.390 -10.748 1.00 4.34 H new ATOM 0 HG12 VAL A 15 11.751 1.961 -9.695 1.00 4.34 H new ATOM 0 HG13 VAL A 15 11.628 3.594 -8.998 1.00 4.34 H new ATOM 0 HG21 VAL A 15 13.911 4.796 -10.721 1.00 24.41 H new ATOM 0 HG22 VAL A 15 13.775 5.081 -8.970 1.00 24.41 H new ATOM 0 HG23 VAL A 15 15.273 4.400 -9.647 1.00 24.41 H new ATOM 211 N VAL A 16 12.798 0.536 -7.333 1.00 40.21 N ATOM 212 CA VAL A 16 12.510 -0.876 -7.153 1.00 2.11 C ATOM 213 C VAL A 16 11.007 -1.111 -7.314 1.00 44.12 C ATOM 214 O VAL A 16 10.196 -0.361 -6.773 1.00 24.15 O ATOM 215 CB VAL A 16 13.047 -1.351 -5.801 1.00 53.04 C ATOM 216 CG1 VAL A 16 14.445 -0.787 -5.538 1.00 71.43 C ATOM 217 CG2 VAL A 16 12.086 -0.983 -4.669 1.00 71.42 C ATOM 0 H VAL A 16 12.160 1.167 -6.848 1.00 40.21 H new ATOM 0 HA VAL A 16 13.015 -1.469 -7.916 1.00 2.11 H new ATOM 0 HB VAL A 16 13.124 -2.438 -5.835 1.00 53.04 H new ATOM 0 HG11 VAL A 16 14.804 -1.140 -4.571 1.00 71.43 H new ATOM 0 HG12 VAL A 16 15.125 -1.121 -6.321 1.00 71.43 H new ATOM 0 HG13 VAL A 16 14.403 0.302 -5.534 1.00 71.43 H new ATOM 0 HG21 VAL A 16 12.492 -1.332 -3.719 1.00 71.42 H new ATOM 0 HG22 VAL A 16 11.962 0.099 -4.635 1.00 71.42 H new ATOM 0 HG23 VAL A 16 11.119 -1.454 -4.845 1.00 71.42 H new ATOM 227 N LYS A 17 10.681 -2.154 -8.063 1.00 13.23 N ATOM 228 CA LYS A 17 9.288 -2.496 -8.302 1.00 62.13 C ATOM 229 C LYS A 17 8.821 -3.487 -7.235 1.00 54.12 C ATOM 230 O LYS A 17 9.293 -4.622 -7.187 1.00 12.34 O ATOM 231 CB LYS A 17 9.101 -3.001 -9.736 1.00 14.33 C ATOM 232 CG LYS A 17 7.621 -3.251 -10.038 1.00 1.41 C ATOM 233 CD LYS A 17 7.220 -4.680 -9.668 1.00 70.24 C ATOM 234 CE LYS A 17 6.131 -5.204 -10.606 1.00 34.10 C ATOM 235 NZ LYS A 17 5.961 -6.664 -10.438 1.00 30.34 N ATOM 0 H LYS A 17 11.356 -2.773 -8.512 1.00 13.23 H new ATOM 0 HA LYS A 17 8.656 -1.612 -8.214 1.00 62.13 H new ATOM 0 HB2 LYS A 17 9.501 -2.270 -10.438 1.00 14.33 H new ATOM 0 HB3 LYS A 17 9.666 -3.922 -9.878 1.00 14.33 H new ATOM 0 HG2 LYS A 17 7.008 -2.542 -9.482 1.00 1.41 H new ATOM 0 HG3 LYS A 17 7.428 -3.078 -11.097 1.00 1.41 H new ATOM 0 HD2 LYS A 17 8.093 -5.331 -9.719 1.00 70.24 H new ATOM 0 HD3 LYS A 17 6.862 -4.706 -8.639 1.00 70.24 H new ATOM 0 HE2 LYS A 17 5.189 -4.696 -10.399 1.00 34.10 H new ATOM 0 HE3 LYS A 17 6.394 -4.979 -11.640 1.00 34.10 H new ATOM 0 HZ1 LYS A 17 5.218 -7.003 -11.082 1.00 30.34 H new ATOM 0 HZ2 LYS A 17 6.856 -7.145 -10.658 1.00 30.34 H new ATOM 0 HZ3 LYS A 17 5.689 -6.871 -9.456 1.00 30.34 H new ATOM 248 N VAL A 18 7.897 -3.023 -6.407 1.00 24.00 N ATOM 249 CA VAL A 18 7.360 -3.854 -5.343 1.00 72.21 C ATOM 250 C VAL A 18 6.611 -5.039 -5.957 1.00 13.05 C ATOM 251 O VAL A 18 5.639 -4.852 -6.687 1.00 61.24 O ATOM 252 CB VAL A 18 6.486 -3.013 -4.411 1.00 52.22 C ATOM 253 CG1 VAL A 18 5.683 -3.902 -3.459 1.00 51.24 C ATOM 254 CG2 VAL A 18 7.331 -2.000 -3.634 1.00 32.12 C ATOM 0 H VAL A 18 7.506 -2.082 -6.451 1.00 24.00 H new ATOM 0 HA VAL A 18 8.166 -4.259 -4.732 1.00 72.21 H new ATOM 0 HB VAL A 18 5.778 -2.458 -5.027 1.00 52.22 H new ATOM 0 HG11 VAL A 18 5.071 -3.278 -2.808 1.00 51.24 H new ATOM 0 HG12 VAL A 18 5.039 -4.565 -4.037 1.00 51.24 H new ATOM 0 HG13 VAL A 18 6.367 -4.497 -2.853 1.00 51.24 H new ATOM 0 HG21 VAL A 18 6.686 -1.415 -2.979 1.00 32.12 H new ATOM 0 HG22 VAL A 18 8.073 -2.528 -3.035 1.00 32.12 H new ATOM 0 HG23 VAL A 18 7.836 -1.335 -4.334 1.00 32.12 H new ATOM 264 N LEU A 19 7.091 -6.231 -5.637 1.00 60.13 N ATOM 265 CA LEU A 19 6.479 -7.446 -6.148 1.00 61.03 C ATOM 266 C LEU A 19 5.316 -7.848 -5.237 1.00 40.15 C ATOM 267 O LEU A 19 4.185 -7.992 -5.698 1.00 73.20 O ATOM 268 CB LEU A 19 7.530 -8.544 -6.323 1.00 1.50 C ATOM 269 CG LEU A 19 7.036 -9.981 -6.146 1.00 11.34 C ATOM 270 CD1 LEU A 19 5.877 -10.283 -7.097 1.00 32.14 C ATOM 271 CD2 LEU A 19 8.185 -10.979 -6.306 1.00 30.32 C ATOM 0 H LEU A 19 7.897 -6.382 -5.030 1.00 60.13 H new ATOM 0 HA LEU A 19 6.063 -7.274 -7.141 1.00 61.03 H new ATOM 0 HB2 LEU A 19 7.962 -8.450 -7.319 1.00 1.50 H new ATOM 0 HB3 LEU A 19 8.334 -8.367 -5.609 1.00 1.50 H new ATOM 0 HG LEU A 19 6.655 -10.089 -5.130 1.00 11.34 H new ATOM 0 HD11 LEU A 19 5.545 -11.311 -6.951 1.00 32.14 H new ATOM 0 HD12 LEU A 19 5.051 -9.602 -6.892 1.00 32.14 H new ATOM 0 HD13 LEU A 19 6.208 -10.152 -8.127 1.00 32.14 H new ATOM 0 HD21 LEU A 19 7.807 -11.993 -6.175 1.00 30.32 H new ATOM 0 HD22 LEU A 19 8.618 -10.879 -7.301 1.00 30.32 H new ATOM 0 HD23 LEU A 19 8.949 -10.777 -5.555 1.00 30.32 H new ATOM 283 N GLU A 20 5.636 -8.017 -3.963 1.00 73.43 N ATOM 284 CA GLU A 20 4.633 -8.399 -2.985 1.00 35.54 C ATOM 285 C GLU A 20 4.807 -7.587 -1.701 1.00 14.42 C ATOM 286 O GLU A 20 5.750 -7.809 -0.944 1.00 31.04 O ATOM 287 CB GLU A 20 4.692 -9.900 -2.696 1.00 31.54 C ATOM 288 CG GLU A 20 5.866 -10.235 -1.773 1.00 71.34 C ATOM 289 CD GLU A 20 6.307 -11.689 -1.952 1.00 73.41 C ATOM 290 OE1 GLU A 20 6.708 -12.085 -3.056 1.00 21.13 O ATOM 291 OE2 GLU A 20 6.221 -12.419 -0.892 1.00 2.05 O ATOM 0 H GLU A 20 6.576 -7.896 -3.586 1.00 73.43 H new ATOM 0 HA GLU A 20 3.649 -8.181 -3.399 1.00 35.54 H new ATOM 0 HB2 GLU A 20 3.759 -10.222 -2.234 1.00 31.54 H new ATOM 0 HB3 GLU A 20 4.792 -10.450 -3.631 1.00 31.54 H new ATOM 0 HG2 GLU A 20 6.702 -9.569 -1.986 1.00 71.34 H new ATOM 0 HG3 GLU A 20 5.578 -10.064 -0.736 1.00 71.34 H new ATOM 298 N GLU A 21 3.881 -6.661 -1.494 1.00 11.34 N ATOM 299 CA GLU A 21 3.921 -5.814 -0.315 1.00 14.53 C ATOM 300 C GLU A 21 3.911 -6.669 0.954 1.00 55.21 C ATOM 301 O GLU A 21 3.460 -7.813 0.932 1.00 35.00 O ATOM 302 CB GLU A 21 2.757 -4.819 -0.314 1.00 60.45 C ATOM 303 CG GLU A 21 2.947 -3.753 0.766 1.00 65.12 C ATOM 304 CD GLU A 21 2.124 -4.082 2.013 1.00 62.34 C ATOM 305 OE1 GLU A 21 1.066 -4.719 1.906 1.00 23.34 O ATOM 306 OE2 GLU A 21 2.620 -3.653 3.123 1.00 4.33 O ATOM 0 H GLU A 21 3.099 -6.480 -2.123 1.00 11.34 H new ATOM 0 HA GLU A 21 4.847 -5.240 -0.336 1.00 14.53 H new ATOM 0 HB2 GLU A 21 2.681 -4.342 -1.291 1.00 60.45 H new ATOM 0 HB3 GLU A 21 1.820 -5.350 -0.145 1.00 60.45 H new ATOM 0 HG2 GLU A 21 4.002 -3.683 1.031 1.00 65.12 H new ATOM 0 HG3 GLU A 21 2.650 -2.779 0.377 1.00 65.12 H new ATOM 313 N GLY A 22 4.412 -6.080 2.031 1.00 72.34 N ATOM 314 CA GLY A 22 4.467 -6.774 3.306 1.00 42.02 C ATOM 315 C GLY A 22 3.766 -5.967 4.400 1.00 53.23 C ATOM 316 O GLY A 22 2.622 -6.252 4.750 1.00 74.21 O ATOM 0 H GLY A 22 4.783 -5.130 2.046 1.00 72.34 H new ATOM 0 HA2 GLY A 22 3.996 -7.752 3.212 1.00 42.02 H new ATOM 0 HA3 GLY A 22 5.506 -6.946 3.586 1.00 42.02 H new ATOM 320 N GLY A 23 4.481 -4.974 4.909 1.00 73.23 N ATOM 321 CA GLY A 23 3.941 -4.124 5.955 1.00 1.42 C ATOM 322 C GLY A 23 5.028 -3.222 6.544 1.00 71.10 C ATOM 323 O GLY A 23 5.258 -3.227 7.752 1.00 30.34 O ATOM 0 H GLY A 23 5.429 -4.740 4.616 1.00 73.23 H new ATOM 0 HA2 GLY A 23 3.135 -3.512 5.551 1.00 1.42 H new ATOM 0 HA3 GLY A 23 3.509 -4.741 6.743 1.00 1.42 H new ATOM 327 N GLY A 24 5.669 -2.469 5.662 1.00 15.15 N ATOM 328 CA GLY A 24 6.725 -1.563 6.079 1.00 64.34 C ATOM 329 C GLY A 24 7.057 -0.561 4.971 1.00 45.21 C ATOM 330 O GLY A 24 6.387 -0.524 3.941 1.00 55.31 O ATOM 0 H GLY A 24 5.477 -2.468 4.660 1.00 15.15 H new ATOM 0 HA2 GLY A 24 6.417 -1.028 6.977 1.00 64.34 H new ATOM 0 HA3 GLY A 24 7.617 -2.133 6.338 1.00 64.34 H new ATOM 334 N THR A 25 8.093 0.226 5.221 1.00 4.53 N ATOM 335 CA THR A 25 8.522 1.226 4.257 1.00 4.34 C ATOM 336 C THR A 25 9.985 1.000 3.870 1.00 23.31 C ATOM 337 O THR A 25 10.760 0.448 4.650 1.00 62.40 O ATOM 338 CB THR A 25 8.261 2.607 4.862 1.00 52.43 C ATOM 339 OG1 THR A 25 6.851 2.776 4.742 1.00 34.23 O ATOM 340 CG2 THR A 25 8.844 3.738 4.012 1.00 64.22 C ATOM 0 H THR A 25 8.648 0.192 6.076 1.00 4.53 H new ATOM 0 HA THR A 25 7.957 1.149 3.328 1.00 4.34 H new ATOM 0 HB THR A 25 8.685 2.650 5.865 1.00 52.43 H new ATOM 0 HG1 THR A 25 6.593 3.646 5.112 1.00 34.23 H new ATOM 0 HG21 THR A 25 8.631 4.696 4.486 1.00 64.22 H new ATOM 0 HG22 THR A 25 9.923 3.608 3.924 1.00 64.22 H new ATOM 0 HG23 THR A 25 8.394 3.716 3.019 1.00 64.22 H new ATOM 348 N LEU A 26 10.320 1.438 2.665 1.00 33.24 N ATOM 349 CA LEU A 26 11.676 1.291 2.165 1.00 61.22 C ATOM 350 C LEU A 26 12.469 2.563 2.471 1.00 1.13 C ATOM 351 O LEU A 26 12.594 3.441 1.619 1.00 15.32 O ATOM 352 CB LEU A 26 11.662 0.917 0.682 1.00 73.40 C ATOM 353 CG LEU A 26 10.662 -0.167 0.273 1.00 63.02 C ATOM 354 CD1 LEU A 26 10.344 -0.084 -1.222 1.00 13.22 C ATOM 355 CD2 LEU A 26 11.163 -1.555 0.675 1.00 22.12 C ATOM 0 H LEU A 26 9.675 1.895 2.020 1.00 33.24 H new ATOM 0 HA LEU A 26 12.182 0.470 2.673 1.00 61.22 H new ATOM 0 HB2 LEU A 26 11.450 1.816 0.103 1.00 73.40 H new ATOM 0 HB3 LEU A 26 12.662 0.585 0.402 1.00 73.40 H new ATOM 0 HG LEU A 26 9.730 0.008 0.811 1.00 63.02 H new ATOM 0 HD11 LEU A 26 9.631 -0.865 -1.486 1.00 13.22 H new ATOM 0 HD12 LEU A 26 9.914 0.892 -1.449 1.00 13.22 H new ATOM 0 HD13 LEU A 26 11.260 -0.219 -1.797 1.00 13.22 H new ATOM 0 HD21 LEU A 26 10.434 -2.307 0.373 1.00 22.12 H new ATOM 0 HD22 LEU A 26 12.115 -1.755 0.183 1.00 22.12 H new ATOM 0 HD23 LEU A 26 11.298 -1.594 1.756 1.00 22.12 H new ATOM 367 N VAL A 27 12.985 2.621 3.690 1.00 43.24 N ATOM 368 CA VAL A 27 13.763 3.772 4.119 1.00 31.32 C ATOM 369 C VAL A 27 15.191 3.644 3.584 1.00 54.22 C ATOM 370 O VAL A 27 15.978 2.846 4.089 1.00 62.03 O ATOM 371 CB VAL A 27 13.705 3.903 5.642 1.00 50.42 C ATOM 372 CG1 VAL A 27 14.511 5.113 6.118 1.00 43.21 C ATOM 373 CG2 VAL A 27 12.257 3.982 6.131 1.00 44.02 C ATOM 0 H VAL A 27 12.880 1.890 4.394 1.00 43.24 H new ATOM 0 HA VAL A 27 13.344 4.691 3.710 1.00 31.32 H new ATOM 0 HB VAL A 27 14.155 3.009 6.073 1.00 50.42 H new ATOM 0 HG11 VAL A 27 14.454 5.184 7.204 1.00 43.21 H new ATOM 0 HG12 VAL A 27 15.552 4.998 5.816 1.00 43.21 H new ATOM 0 HG13 VAL A 27 14.102 6.020 5.673 1.00 43.21 H new ATOM 0 HG21 VAL A 27 12.244 4.075 7.217 1.00 44.02 H new ATOM 0 HG22 VAL A 27 11.770 4.850 5.687 1.00 44.02 H new ATOM 0 HG23 VAL A 27 11.724 3.078 5.838 1.00 44.02 H new ATOM 383 N CYS A 28 15.481 4.444 2.568 1.00 44.51 N ATOM 384 CA CYS A 28 16.801 4.431 1.959 1.00 60.31 C ATOM 385 C CYS A 28 17.412 5.825 2.107 1.00 5.11 C ATOM 386 O CYS A 28 16.721 6.830 1.948 1.00 2.43 O ATOM 387 CB CYS A 28 16.744 3.986 0.496 1.00 32.11 C ATOM 388 SG CYS A 28 18.367 3.586 -0.248 1.00 75.13 S ATOM 0 H CYS A 28 14.825 5.105 2.151 1.00 44.51 H new ATOM 0 HA CYS A 28 17.432 3.703 2.468 1.00 60.31 H new ATOM 0 HB2 CYS A 28 16.100 3.109 0.422 1.00 32.11 H new ATOM 0 HB3 CYS A 28 16.276 4.776 -0.091 1.00 32.11 H new ATOM 393 N CYS A 29 18.702 5.842 2.412 1.00 21.32 N ATOM 394 CA CYS A 29 19.414 7.096 2.584 1.00 51.23 C ATOM 395 C CYS A 29 18.791 7.844 3.764 1.00 32.23 C ATOM 396 O CYS A 29 18.958 9.056 3.894 1.00 51.42 O ATOM 397 CB CYS A 29 19.399 7.936 1.305 1.00 24.53 C ATOM 398 SG CYS A 29 20.491 7.320 -0.029 1.00 13.00 S ATOM 0 H CYS A 29 19.272 5.007 2.544 1.00 21.32 H new ATOM 0 HA CYS A 29 20.464 6.894 2.796 1.00 51.23 H new ATOM 0 HB2 CYS A 29 18.377 7.980 0.928 1.00 24.53 H new ATOM 0 HB3 CYS A 29 19.692 8.956 1.553 1.00 24.53 H new ATOM 403 N GLY A 30 18.086 7.091 4.596 1.00 64.14 N ATOM 404 CA GLY A 30 17.438 7.667 5.761 1.00 51.33 C ATOM 405 C GLY A 30 16.162 8.414 5.365 1.00 20.45 C ATOM 406 O GLY A 30 15.726 9.323 6.070 1.00 0.10 O ATOM 0 H GLY A 30 17.950 6.086 4.486 1.00 64.14 H new ATOM 0 HA2 GLY A 30 17.196 6.879 6.474 1.00 51.33 H new ATOM 0 HA3 GLY A 30 18.123 8.351 6.262 1.00 51.33 H new ATOM 410 N GLU A 31 15.598 8.000 4.240 1.00 62.22 N ATOM 411 CA GLU A 31 14.381 8.618 3.741 1.00 20.05 C ATOM 412 C GLU A 31 13.438 7.554 3.176 1.00 31.44 C ATOM 413 O GLU A 31 13.869 6.664 2.445 1.00 62.24 O ATOM 414 CB GLU A 31 14.697 9.684 2.691 1.00 10.23 C ATOM 415 CG GLU A 31 13.884 10.956 2.939 1.00 43.31 C ATOM 416 CD GLU A 31 13.933 11.884 1.723 1.00 52.01 C ATOM 417 OE1 GLU A 31 14.963 12.529 1.478 1.00 70.14 O ATOM 418 OE2 GLU A 31 12.852 11.920 1.021 1.00 73.34 O ATOM 0 H GLU A 31 15.961 7.244 3.660 1.00 62.22 H new ATOM 0 HA GLU A 31 13.881 9.113 4.574 1.00 20.05 H new ATOM 0 HB2 GLU A 31 15.761 9.918 2.714 1.00 10.23 H new ATOM 0 HB3 GLU A 31 14.478 9.296 1.696 1.00 10.23 H new ATOM 0 HG2 GLU A 31 12.849 10.693 3.159 1.00 43.31 H new ATOM 0 HG3 GLU A 31 14.274 11.476 3.814 1.00 43.31 H new ATOM 425 N ASP A 32 12.170 7.679 3.538 1.00 54.54 N ATOM 426 CA ASP A 32 11.163 6.739 3.076 1.00 55.43 C ATOM 427 C ASP A 32 10.971 6.905 1.567 1.00 63.34 C ATOM 428 O ASP A 32 10.402 7.897 1.115 1.00 51.35 O ATOM 429 CB ASP A 32 9.816 6.997 3.754 1.00 12.14 C ATOM 430 CG ASP A 32 9.462 8.473 3.950 1.00 64.40 C ATOM 431 OD1 ASP A 32 8.875 9.112 3.065 1.00 64.24 O ATOM 432 OD2 ASP A 32 9.820 8.973 5.085 1.00 40.25 O ATOM 0 H ASP A 32 11.817 8.418 4.146 1.00 54.54 H new ATOM 0 HA ASP A 32 11.504 5.733 3.321 1.00 55.43 H new ATOM 0 HB2 ASP A 32 9.032 6.527 3.161 1.00 12.14 H new ATOM 0 HB3 ASP A 32 9.817 6.507 4.728 1.00 12.14 H new ATOM 437 N MET A 33 11.457 5.917 0.829 1.00 25.05 N ATOM 438 CA MET A 33 11.346 5.941 -0.619 1.00 44.01 C ATOM 439 C MET A 33 9.973 6.454 -1.056 1.00 32.14 C ATOM 440 O MET A 33 8.978 6.241 -0.364 1.00 11.22 O ATOM 441 CB MET A 33 11.564 4.530 -1.171 1.00 11.43 C ATOM 442 CG MET A 33 12.307 4.573 -2.508 1.00 12.02 C ATOM 443 SD MET A 33 13.818 3.629 -2.397 1.00 21.52 S ATOM 444 CE MET A 33 13.259 2.069 -3.060 1.00 72.03 C ATOM 0 H MET A 33 11.928 5.095 1.207 1.00 25.05 H new ATOM 0 HA MET A 33 12.106 6.616 -1.012 1.00 44.01 H new ATOM 0 HB2 MET A 33 12.133 3.939 -0.453 1.00 11.43 H new ATOM 0 HB3 MET A 33 10.602 4.034 -1.301 1.00 11.43 H new ATOM 0 HG2 MET A 33 11.674 4.170 -3.298 1.00 12.02 H new ATOM 0 HG3 MET A 33 12.532 5.605 -2.775 1.00 12.02 H new ATOM 0 HE1 MET A 33 14.108 1.525 -3.474 1.00 72.03 H new ATOM 0 HE2 MET A 33 12.802 1.479 -2.266 1.00 72.03 H new ATOM 0 HE3 MET A 33 12.525 2.250 -3.845 1.00 72.03 H new ATOM 454 N VAL A 34 9.962 7.119 -2.201 1.00 72.52 N ATOM 455 CA VAL A 34 8.727 7.664 -2.739 1.00 30.11 C ATOM 456 C VAL A 34 8.176 6.714 -3.805 1.00 31.34 C ATOM 457 O VAL A 34 8.907 5.878 -4.333 1.00 53.11 O ATOM 458 CB VAL A 34 8.965 9.080 -3.267 1.00 20.21 C ATOM 459 CG1 VAL A 34 9.972 9.829 -2.391 1.00 11.03 C ATOM 460 CG2 VAL A 34 9.424 9.051 -4.726 1.00 70.23 C ATOM 0 H VAL A 34 10.789 7.293 -2.772 1.00 72.52 H new ATOM 0 HA VAL A 34 7.974 7.746 -1.955 1.00 30.11 H new ATOM 0 HB VAL A 34 8.018 9.617 -3.224 1.00 20.21 H new ATOM 0 HG11 VAL A 34 10.124 10.833 -2.788 1.00 11.03 H new ATOM 0 HG12 VAL A 34 9.590 9.895 -1.372 1.00 11.03 H new ATOM 0 HG13 VAL A 34 10.921 9.293 -2.388 1.00 11.03 H new ATOM 0 HG21 VAL A 34 9.586 10.070 -5.077 1.00 70.23 H new ATOM 0 HG22 VAL A 34 10.354 8.488 -4.804 1.00 70.23 H new ATOM 0 HG23 VAL A 34 8.659 8.574 -5.339 1.00 70.23 H new ATOM 470 N LYS A 35 6.891 6.874 -4.088 1.00 25.13 N ATOM 471 CA LYS A 35 6.235 6.041 -5.080 1.00 33.14 C ATOM 472 C LYS A 35 6.320 6.720 -6.448 1.00 5.53 C ATOM 473 O LYS A 35 6.353 7.947 -6.535 1.00 14.22 O ATOM 474 CB LYS A 35 4.805 5.716 -4.644 1.00 33.22 C ATOM 475 CG LYS A 35 4.461 4.254 -4.938 1.00 61.25 C ATOM 476 CD LYS A 35 4.848 3.352 -3.765 1.00 43.25 C ATOM 477 CE LYS A 35 3.693 2.427 -3.380 1.00 32.04 C ATOM 478 NZ LYS A 35 2.757 3.120 -2.465 1.00 12.40 N ATOM 0 H LYS A 35 6.288 7.568 -3.647 1.00 25.13 H new ATOM 0 HA LYS A 35 6.744 5.081 -5.168 1.00 33.14 H new ATOM 0 HB2 LYS A 35 4.693 5.912 -3.578 1.00 33.22 H new ATOM 0 HB3 LYS A 35 4.105 6.370 -5.164 1.00 33.22 H new ATOM 0 HG2 LYS A 35 3.393 4.161 -5.136 1.00 61.25 H new ATOM 0 HG3 LYS A 35 4.982 3.928 -5.839 1.00 61.25 H new ATOM 0 HD2 LYS A 35 5.721 2.757 -4.032 1.00 43.25 H new ATOM 0 HD3 LYS A 35 5.129 3.964 -2.908 1.00 43.25 H new ATOM 0 HE2 LYS A 35 3.163 2.105 -4.276 1.00 32.04 H new ATOM 0 HE3 LYS A 35 4.083 1.529 -2.900 1.00 32.04 H new ATOM 0 HZ1 LYS A 35 1.836 2.637 -2.479 1.00 12.40 H new ATOM 0 HZ2 LYS A 35 3.141 3.105 -1.499 1.00 12.40 H new ATOM 0 HZ3 LYS A 35 2.635 4.106 -2.774 1.00 12.40 H new ATOM 491 N GLN A 36 6.355 5.894 -7.483 1.00 2.32 N ATOM 492 CA GLN A 36 6.437 6.400 -8.842 1.00 43.34 C ATOM 493 C GLN A 36 5.181 6.019 -9.627 1.00 52.32 C ATOM 494 O GLN A 36 4.070 6.374 -9.236 1.00 72.23 O ATOM 495 CB GLN A 36 7.697 5.888 -9.543 1.00 2.12 C ATOM 496 CG GLN A 36 8.934 6.088 -8.663 1.00 32.31 C ATOM 497 CD GLN A 36 9.410 7.541 -8.709 1.00 60.40 C ATOM 498 OE1 GLN A 36 10.214 7.931 -9.539 1.00 40.32 O ATOM 499 NE2 GLN A 36 8.871 8.317 -7.774 1.00 32.24 N ATOM 0 H GLN A 36 6.328 4.877 -7.408 1.00 2.32 H new ATOM 0 HA GLN A 36 6.500 7.487 -8.800 1.00 43.34 H new ATOM 0 HB2 GLN A 36 7.582 4.830 -9.779 1.00 2.12 H new ATOM 0 HB3 GLN A 36 7.830 6.413 -10.489 1.00 2.12 H new ATOM 0 HG2 GLN A 36 8.702 5.810 -7.635 1.00 32.31 H new ATOM 0 HG3 GLN A 36 9.734 5.429 -8.999 1.00 32.31 H new ATOM 0 HE21 GLN A 36 8.203 7.926 -7.109 1.00 32.24 H new ATOM 0 HE22 GLN A 36 9.125 9.303 -7.721 1.00 32.24 H new TER 508 GLN A 36 ATOM 509 N ALA B 1 23.664 -2.592 -4.376 1.00 4.43 N ATOM 510 CA ALA B 1 22.912 -3.630 -5.059 1.00 62.10 C ATOM 511 C ALA B 1 23.134 -3.506 -6.568 1.00 41.31 C ATOM 512 O ALA B 1 23.775 -2.562 -7.028 1.00 21.12 O ATOM 513 CB ALA B 1 21.435 -3.526 -4.677 1.00 73.30 C ATOM 0 H1 ALA B 1 24.513 -3.007 -3.942 1.00 4.43 H new ATOM 0 H2 ALA B 1 23.947 -1.861 -5.060 1.00 4.43 H new ATOM 0 H3 ALA B 1 23.071 -2.163 -3.637 1.00 4.43 H new ATOM 0 HA ALA B 1 23.259 -4.618 -4.755 1.00 62.10 H new ATOM 0 HB1 ALA B 1 20.871 -4.305 -5.190 1.00 73.30 H new ATOM 0 HB2 ALA B 1 21.328 -3.650 -3.599 1.00 73.30 H new ATOM 0 HB3 ALA B 1 21.052 -2.548 -4.969 1.00 73.30 H new ATOM 519 N ASN B 2 22.592 -4.471 -7.295 1.00 10.41 N ATOM 520 CA ASN B 2 22.722 -4.480 -8.742 1.00 62.34 C ATOM 521 C ASN B 2 21.368 -4.815 -9.370 1.00 52.25 C ATOM 522 O ASN B 2 20.588 -5.577 -8.803 1.00 35.44 O ATOM 523 CB ASN B 2 23.728 -5.540 -9.198 1.00 13.44 C ATOM 524 CG ASN B 2 24.937 -4.892 -9.876 1.00 73.40 C ATOM 525 OD1 ASN B 2 25.110 -3.684 -9.873 1.00 30.13 O ATOM 526 ND2 ASN B 2 25.761 -5.761 -10.456 1.00 13.52 N ATOM 0 H ASN B 2 22.062 -5.252 -6.909 1.00 10.41 H new ATOM 0 HA ASN B 2 23.068 -3.495 -9.055 1.00 62.34 H new ATOM 0 HB2 ASN B 2 24.058 -6.126 -8.340 1.00 13.44 H new ATOM 0 HB3 ASN B 2 23.246 -6.231 -9.889 1.00 13.44 H new ATOM 0 HD21 ASN B 2 26.597 -5.429 -10.936 1.00 13.52 H new ATOM 0 HD22 ASN B 2 25.556 -6.760 -10.421 1.00 13.52 H new ATOM 533 N GLU B 3 21.130 -4.227 -10.534 1.00 32.04 N ATOM 534 CA GLU B 3 19.882 -4.453 -11.245 1.00 3.31 C ATOM 535 C GLU B 3 19.555 -5.947 -11.280 1.00 44.54 C ATOM 536 O GLU B 3 20.444 -6.784 -11.136 1.00 23.44 O ATOM 537 CB GLU B 3 19.945 -3.871 -12.658 1.00 52.44 C ATOM 538 CG GLU B 3 20.110 -2.350 -12.618 1.00 71.24 C ATOM 539 CD GLU B 3 20.015 -1.751 -14.023 1.00 44.14 C ATOM 540 OE1 GLU B 3 20.798 -2.125 -14.910 1.00 11.21 O ATOM 541 OE2 GLU B 3 19.088 -0.868 -14.178 1.00 42.23 O ATOM 0 H GLU B 3 21.779 -3.595 -11.002 1.00 32.04 H new ATOM 0 HA GLU B 3 19.082 -3.939 -10.711 1.00 3.31 H new ATOM 0 HB2 GLU B 3 20.778 -4.317 -13.202 1.00 52.44 H new ATOM 0 HB3 GLU B 3 19.036 -4.128 -13.202 1.00 52.44 H new ATOM 0 HG2 GLU B 3 19.341 -1.914 -11.980 1.00 71.24 H new ATOM 0 HG3 GLU B 3 21.073 -2.097 -12.175 1.00 71.24 H new ATOM 548 N GLY B 4 18.276 -6.235 -11.474 1.00 62.54 N ATOM 549 CA GLY B 4 17.821 -7.613 -11.531 1.00 74.54 C ATOM 550 C GLY B 4 17.989 -8.304 -10.176 1.00 53.51 C ATOM 551 O GLY B 4 18.182 -9.516 -10.112 1.00 72.44 O ATOM 0 H GLY B 4 17.541 -5.538 -11.594 1.00 62.54 H new ATOM 0 HA2 GLY B 4 16.773 -7.641 -11.830 1.00 74.54 H new ATOM 0 HA3 GLY B 4 18.384 -8.154 -12.291 1.00 74.54 H new ATOM 555 N ASP B 5 17.909 -7.499 -9.125 1.00 63.43 N ATOM 556 CA ASP B 5 18.050 -8.018 -7.775 1.00 3.42 C ATOM 557 C ASP B 5 16.687 -7.999 -7.082 1.00 34.43 C ATOM 558 O ASP B 5 15.760 -7.335 -7.543 1.00 12.32 O ATOM 559 CB ASP B 5 19.010 -7.155 -6.952 1.00 60.43 C ATOM 560 CG ASP B 5 20.447 -7.675 -6.882 1.00 63.42 C ATOM 561 OD1 ASP B 5 21.133 -7.797 -7.908 1.00 33.33 O ATOM 562 OD2 ASP B 5 20.865 -7.965 -5.696 1.00 31.12 O ATOM 0 H ASP B 5 17.749 -6.493 -9.182 1.00 63.43 H new ATOM 0 HA ASP B 5 18.443 -9.033 -7.842 1.00 3.42 H new ATOM 0 HB2 ASP B 5 19.023 -6.150 -7.373 1.00 60.43 H new ATOM 0 HB3 ASP B 5 18.620 -7.070 -5.938 1.00 60.43 H new ATOM 567 N VAL B 6 16.606 -8.739 -5.985 1.00 3.52 N ATOM 568 CA VAL B 6 15.371 -8.816 -5.223 1.00 2.11 C ATOM 569 C VAL B 6 15.688 -8.689 -3.732 1.00 71.23 C ATOM 570 O VAL B 6 16.637 -9.298 -3.241 1.00 51.13 O ATOM 571 CB VAL B 6 14.624 -10.106 -5.568 1.00 14.51 C ATOM 572 CG1 VAL B 6 13.737 -10.553 -4.404 1.00 61.13 C ATOM 573 CG2 VAL B 6 13.804 -9.938 -6.849 1.00 71.13 C ATOM 0 H VAL B 6 17.376 -9.290 -5.606 1.00 3.52 H new ATOM 0 HA VAL B 6 14.708 -7.992 -5.485 1.00 2.11 H new ATOM 0 HB VAL B 6 15.365 -10.886 -5.744 1.00 14.51 H new ATOM 0 HG11 VAL B 6 13.217 -11.472 -4.675 1.00 61.13 H new ATOM 0 HG12 VAL B 6 14.354 -10.731 -3.524 1.00 61.13 H new ATOM 0 HG13 VAL B 6 13.007 -9.775 -4.183 1.00 61.13 H new ATOM 0 HG21 VAL B 6 13.283 -10.869 -7.072 1.00 71.13 H new ATOM 0 HG22 VAL B 6 13.076 -9.138 -6.713 1.00 71.13 H new ATOM 0 HG23 VAL B 6 14.468 -9.687 -7.676 1.00 71.13 H new ATOM 583 N TYR B 7 14.875 -7.894 -3.053 1.00 2.44 N ATOM 584 CA TYR B 7 15.057 -7.679 -1.627 1.00 11.43 C ATOM 585 C TYR B 7 13.815 -8.112 -0.844 1.00 53.23 C ATOM 586 O TYR B 7 12.702 -7.690 -1.157 1.00 63.51 O ATOM 587 CB TYR B 7 15.257 -6.173 -1.449 1.00 45.42 C ATOM 588 CG TYR B 7 16.717 -5.725 -1.532 1.00 43.13 C ATOM 589 CD1 TYR B 7 17.524 -5.792 -0.414 1.00 40.14 C ATOM 590 CD2 TYR B 7 17.228 -5.254 -2.725 1.00 11.32 C ATOM 591 CE1 TYR B 7 18.899 -5.371 -0.492 1.00 41.14 C ATOM 592 CE2 TYR B 7 18.603 -4.833 -2.802 1.00 3.40 C ATOM 593 CZ TYR B 7 19.371 -4.912 -1.683 1.00 31.21 C ATOM 594 OH TYR B 7 20.669 -4.515 -1.756 1.00 42.20 O ATOM 0 H TYR B 7 14.088 -7.391 -3.463 1.00 2.44 H new ATOM 0 HA TYR B 7 15.902 -8.260 -1.257 1.00 11.43 H new ATOM 0 HB2 TYR B 7 14.683 -5.648 -2.212 1.00 45.42 H new ATOM 0 HB3 TYR B 7 14.851 -5.875 -0.483 1.00 45.42 H new ATOM 0 HD1 TYR B 7 17.124 -6.160 0.519 1.00 40.14 H new ATOM 0 HD2 TYR B 7 16.597 -5.201 -3.600 1.00 11.32 H new ATOM 0 HE1 TYR B 7 19.541 -5.418 0.375 1.00 41.14 H new ATOM 0 HE2 TYR B 7 19.015 -4.462 -3.729 1.00 3.40 H new ATOM 0 HH TYR B 7 21.208 -5.229 -2.156 1.00 42.20 H new ATOM 604 N LYS B 8 14.047 -8.948 0.157 1.00 45.24 N ATOM 605 CA LYS B 8 12.961 -9.442 0.986 1.00 24.03 C ATOM 606 C LYS B 8 13.190 -9.001 2.433 1.00 34.32 C ATOM 607 O LYS B 8 14.285 -9.160 2.969 1.00 43.52 O ATOM 608 CB LYS B 8 12.808 -10.956 0.821 1.00 73.12 C ATOM 609 CG LYS B 8 12.136 -11.575 2.048 1.00 25.11 C ATOM 610 CD LYS B 8 10.640 -11.785 1.806 1.00 12.24 C ATOM 611 CE LYS B 8 10.100 -12.926 2.671 1.00 55.41 C ATOM 612 NZ LYS B 8 9.047 -13.672 1.946 1.00 5.20 N ATOM 0 H LYS B 8 14.971 -9.296 0.413 1.00 45.24 H new ATOM 0 HA LYS B 8 12.011 -9.012 0.668 1.00 24.03 H new ATOM 0 HB2 LYS B 8 12.217 -11.171 -0.069 1.00 73.12 H new ATOM 0 HB3 LYS B 8 13.787 -11.410 0.670 1.00 73.12 H new ATOM 0 HG2 LYS B 8 12.608 -12.529 2.283 1.00 25.11 H new ATOM 0 HG3 LYS B 8 12.281 -10.927 2.912 1.00 25.11 H new ATOM 0 HD2 LYS B 8 10.099 -10.866 2.031 1.00 12.24 H new ATOM 0 HD3 LYS B 8 10.466 -12.008 0.753 1.00 12.24 H new ATOM 0 HE2 LYS B 8 10.912 -13.601 2.941 1.00 55.41 H new ATOM 0 HE3 LYS B 8 9.696 -12.526 3.601 1.00 55.41 H new ATOM 0 HZ1 LYS B 8 8.691 -14.443 2.547 1.00 5.20 H new ATOM 0 HZ2 LYS B 8 8.265 -13.028 1.710 1.00 5.20 H new ATOM 0 HZ3 LYS B 8 9.444 -14.070 1.071 1.00 5.20 H new ATOM 625 N CYS B 9 12.136 -8.458 3.025 1.00 44.30 N ATOM 626 CA CYS B 9 12.207 -7.993 4.400 1.00 2.24 C ATOM 627 C CYS B 9 12.241 -9.216 5.319 1.00 41.22 C ATOM 628 O CYS B 9 11.774 -10.291 4.946 1.00 53.41 O ATOM 629 CB CYS B 9 11.048 -7.055 4.741 1.00 54.33 C ATOM 630 SG CYS B 9 11.078 -6.384 6.445 1.00 25.12 S ATOM 0 H CYS B 9 11.228 -8.330 2.578 1.00 44.30 H new ATOM 0 HA CYS B 9 13.115 -7.407 4.542 1.00 2.24 H new ATOM 0 HB2 CYS B 9 11.054 -6.222 4.038 1.00 54.33 H new ATOM 0 HB3 CYS B 9 10.110 -7.590 4.593 1.00 54.33 H new ATOM 635 N GLU B 10 12.799 -9.011 6.503 1.00 11.53 N ATOM 636 CA GLU B 10 12.900 -10.082 7.479 1.00 52.12 C ATOM 637 C GLU B 10 11.865 -9.889 8.589 1.00 14.44 C ATOM 638 O GLU B 10 12.104 -10.262 9.737 1.00 2.21 O ATOM 639 CB GLU B 10 14.314 -10.167 8.056 1.00 1.11 C ATOM 640 CG GLU B 10 15.260 -10.876 7.086 1.00 62.44 C ATOM 641 CD GLU B 10 15.545 -12.308 7.545 1.00 42.11 C ATOM 642 OE1 GLU B 10 15.835 -12.533 8.730 1.00 63.05 O ATOM 643 OE2 GLU B 10 15.456 -13.205 6.622 1.00 1.14 O ATOM 0 H GLU B 10 13.186 -8.118 6.808 1.00 11.53 H new ATOM 0 HA GLU B 10 12.692 -11.026 6.976 1.00 52.12 H new ATOM 0 HB2 GLU B 10 14.686 -9.164 8.265 1.00 1.11 H new ATOM 0 HB3 GLU B 10 14.292 -10.703 9.005 1.00 1.11 H new ATOM 0 HG2 GLU B 10 14.820 -10.891 6.089 1.00 62.44 H new ATOM 0 HG3 GLU B 10 16.195 -10.321 7.013 1.00 62.44 H new ATOM 650 N LEU B 11 10.737 -9.306 8.208 1.00 2.24 N ATOM 651 CA LEU B 11 9.665 -9.059 9.158 1.00 45.21 C ATOM 652 C LEU B 11 8.318 -9.231 8.455 1.00 34.12 C ATOM 653 O LEU B 11 7.657 -10.256 8.615 1.00 15.22 O ATOM 654 CB LEU B 11 9.843 -7.691 9.822 1.00 73.24 C ATOM 655 CG LEU B 11 8.723 -7.255 10.769 1.00 31.23 C ATOM 656 CD1 LEU B 11 8.246 -8.427 11.629 1.00 73.20 C ATOM 657 CD2 LEU B 11 9.159 -6.060 11.620 1.00 61.15 C ATOM 0 H LEU B 11 10.542 -8.998 7.255 1.00 2.24 H new ATOM 0 HA LEU B 11 9.697 -9.787 9.968 1.00 45.21 H new ATOM 0 HB2 LEU B 11 10.780 -7.698 10.379 1.00 73.24 H new ATOM 0 HB3 LEU B 11 9.943 -6.939 9.039 1.00 73.24 H new ATOM 0 HG LEU B 11 7.874 -6.930 10.168 1.00 31.23 H new ATOM 0 HD11 LEU B 11 7.450 -8.091 12.293 1.00 73.20 H new ATOM 0 HD12 LEU B 11 7.870 -9.222 10.985 1.00 73.20 H new ATOM 0 HD13 LEU B 11 9.078 -8.805 12.223 1.00 73.20 H new ATOM 0 HD21 LEU B 11 8.345 -5.770 12.284 1.00 61.15 H new ATOM 0 HD22 LEU B 11 10.031 -6.335 12.213 1.00 61.15 H new ATOM 0 HD23 LEU B 11 9.412 -5.223 10.969 1.00 61.15 H new ATOM 669 N CYS B 12 7.950 -8.213 7.691 1.00 14.21 N ATOM 670 CA CYS B 12 6.693 -8.238 6.963 1.00 30.40 C ATOM 671 C CYS B 12 6.807 -9.276 5.844 1.00 4.31 C ATOM 672 O CYS B 12 5.851 -9.993 5.557 1.00 15.41 O ATOM 673 CB CYS B 12 6.322 -6.856 6.424 1.00 11.14 C ATOM 674 SG CYS B 12 7.596 -6.078 5.366 1.00 1.25 S ATOM 0 H CYS B 12 8.501 -7.365 7.560 1.00 14.21 H new ATOM 0 HA CYS B 12 5.885 -8.519 7.638 1.00 30.40 H new ATOM 0 HB2 CYS B 12 5.397 -6.940 5.853 1.00 11.14 H new ATOM 0 HB3 CYS B 12 6.117 -6.196 7.267 1.00 11.14 H new ATOM 679 N GLY B 13 7.987 -9.321 5.242 1.00 72.31 N ATOM 680 CA GLY B 13 8.239 -10.258 4.160 1.00 22.24 C ATOM 681 C GLY B 13 7.946 -9.618 2.802 1.00 44.35 C ATOM 682 O GLY B 13 7.500 -10.294 1.876 1.00 21.33 O ATOM 0 H GLY B 13 8.778 -8.724 5.483 1.00 72.31 H new ATOM 0 HA2 GLY B 13 9.277 -10.588 4.194 1.00 22.24 H new ATOM 0 HA3 GLY B 13 7.618 -11.145 4.290 1.00 22.24 H new ATOM 686 N GLN B 14 8.211 -8.322 2.725 1.00 53.22 N ATOM 687 CA GLN B 14 7.982 -7.583 1.494 1.00 35.04 C ATOM 688 C GLN B 14 9.107 -7.855 0.494 1.00 75.10 C ATOM 689 O GLN B 14 10.284 -7.730 0.829 1.00 54.23 O ATOM 690 CB GLN B 14 7.845 -6.085 1.772 1.00 45.14 C ATOM 691 CG GLN B 14 7.732 -5.293 0.467 1.00 33.54 C ATOM 692 CD GLN B 14 7.244 -3.867 0.731 1.00 33.32 C ATOM 693 OE1 GLN B 14 6.349 -3.359 0.077 1.00 15.11 O ATOM 694 NE2 GLN B 14 7.882 -3.253 1.724 1.00 72.30 N ATOM 0 H GLN B 14 8.582 -7.765 3.494 1.00 53.22 H new ATOM 0 HA GLN B 14 7.044 -7.925 1.057 1.00 35.04 H new ATOM 0 HB2 GLN B 14 6.964 -5.905 2.388 1.00 45.14 H new ATOM 0 HB3 GLN B 14 8.708 -5.736 2.340 1.00 45.14 H new ATOM 0 HG2 GLN B 14 8.702 -5.263 -0.029 1.00 33.54 H new ATOM 0 HG3 GLN B 14 7.043 -5.797 -0.210 1.00 33.54 H new ATOM 0 HE21 GLN B 14 8.623 -3.737 2.231 1.00 72.30 H new ATOM 0 HE22 GLN B 14 7.630 -2.298 1.978 1.00 72.30 H new ATOM 703 N VAL B 15 8.705 -8.223 -0.714 1.00 64.20 N ATOM 704 CA VAL B 15 9.665 -8.515 -1.765 1.00 43.42 C ATOM 705 C VAL B 15 9.554 -7.452 -2.860 1.00 61.51 C ATOM 706 O VAL B 15 8.463 -7.184 -3.360 1.00 14.33 O ATOM 707 CB VAL B 15 9.453 -9.937 -2.288 1.00 44.21 C ATOM 708 CG1 VAL B 15 10.495 -10.291 -3.351 1.00 4.41 C ATOM 709 CG2 VAL B 15 9.472 -10.951 -1.142 1.00 62.11 C ATOM 0 H VAL B 15 7.728 -8.326 -0.988 1.00 64.20 H new ATOM 0 HA VAL B 15 10.682 -8.476 -1.375 1.00 43.42 H new ATOM 0 HB VAL B 15 8.470 -9.979 -2.756 1.00 44.21 H new ATOM 0 HG11 VAL B 15 10.322 -11.307 -3.706 1.00 4.41 H new ATOM 0 HG12 VAL B 15 10.413 -9.596 -4.186 1.00 4.41 H new ATOM 0 HG13 VAL B 15 11.493 -10.223 -2.919 1.00 4.41 H new ATOM 0 HG21 VAL B 15 9.319 -11.954 -1.541 1.00 62.11 H new ATOM 0 HG22 VAL B 15 10.434 -10.906 -0.632 1.00 62.11 H new ATOM 0 HG23 VAL B 15 8.676 -10.716 -0.435 1.00 62.11 H new ATOM 719 N VAL B 16 10.697 -6.877 -3.201 1.00 42.10 N ATOM 720 CA VAL B 16 10.742 -5.850 -4.228 1.00 25.34 C ATOM 721 C VAL B 16 11.885 -6.154 -5.198 1.00 3.13 C ATOM 722 O VAL B 16 12.994 -6.478 -4.774 1.00 13.32 O ATOM 723 CB VAL B 16 10.857 -4.468 -3.581 1.00 21.51 C ATOM 724 CG1 VAL B 16 9.909 -4.341 -2.388 1.00 2.30 C ATOM 725 CG2 VAL B 16 12.301 -4.175 -3.168 1.00 31.00 C ATOM 0 H VAL B 16 11.600 -7.103 -2.784 1.00 42.10 H new ATOM 0 HA VAL B 16 9.818 -5.847 -4.806 1.00 25.34 H new ATOM 0 HB VAL B 16 10.563 -3.725 -4.322 1.00 21.51 H new ATOM 0 HG11 VAL B 16 10.011 -3.350 -1.946 1.00 2.30 H new ATOM 0 HG12 VAL B 16 8.882 -4.486 -2.723 1.00 2.30 H new ATOM 0 HG13 VAL B 16 10.158 -5.097 -1.643 1.00 2.30 H new ATOM 0 HG21 VAL B 16 12.355 -3.187 -2.711 1.00 31.00 H new ATOM 0 HG22 VAL B 16 12.634 -4.925 -2.451 1.00 31.00 H new ATOM 0 HG23 VAL B 16 12.944 -4.204 -4.048 1.00 31.00 H new ATOM 735 N LYS B 17 11.577 -6.038 -6.481 1.00 22.52 N ATOM 736 CA LYS B 17 12.565 -6.296 -7.514 1.00 20.42 C ATOM 737 C LYS B 17 13.201 -4.974 -7.948 1.00 53.15 C ATOM 738 O LYS B 17 12.521 -4.102 -8.487 1.00 23.04 O ATOM 739 CB LYS B 17 11.941 -7.086 -8.667 1.00 30.53 C ATOM 740 CG LYS B 17 12.459 -6.586 -10.017 1.00 0.11 C ATOM 741 CD LYS B 17 13.950 -6.888 -10.179 1.00 75.11 C ATOM 742 CE LYS B 17 14.166 -8.260 -10.820 1.00 35.33 C ATOM 743 NZ LYS B 17 14.337 -8.128 -12.283 1.00 51.03 N ATOM 0 H LYS B 17 10.657 -5.769 -6.829 1.00 22.52 H new ATOM 0 HA LYS B 17 13.367 -6.923 -7.125 1.00 20.42 H new ATOM 0 HB2 LYS B 17 12.172 -8.145 -8.554 1.00 30.53 H new ATOM 0 HB3 LYS B 17 10.856 -6.991 -8.632 1.00 30.53 H new ATOM 0 HG2 LYS B 17 11.899 -7.060 -10.823 1.00 0.11 H new ATOM 0 HG3 LYS B 17 12.291 -5.512 -10.100 1.00 0.11 H new ATOM 0 HD2 LYS B 17 14.416 -6.118 -10.794 1.00 75.11 H new ATOM 0 HD3 LYS B 17 14.439 -6.857 -9.205 1.00 75.11 H new ATOM 0 HE2 LYS B 17 15.046 -8.736 -10.387 1.00 35.33 H new ATOM 0 HE3 LYS B 17 13.315 -8.907 -10.604 1.00 35.33 H new ATOM 0 HZ1 LYS B 17 14.925 -8.910 -12.636 1.00 51.03 H new ATOM 0 HZ2 LYS B 17 13.406 -8.158 -12.745 1.00 51.03 H new ATOM 0 HZ3 LYS B 17 14.801 -7.222 -12.498 1.00 51.03 H new ATOM 756 N VAL B 18 14.497 -4.867 -7.697 1.00 24.32 N ATOM 757 CA VAL B 18 15.232 -3.666 -8.055 1.00 20.12 C ATOM 758 C VAL B 18 15.351 -3.581 -9.578 1.00 11.23 C ATOM 759 O VAL B 18 15.842 -4.508 -10.219 1.00 61.40 O ATOM 760 CB VAL B 18 16.589 -3.652 -7.347 1.00 61.25 C ATOM 761 CG1 VAL B 18 17.477 -2.529 -7.888 1.00 24.51 C ATOM 762 CG2 VAL B 18 16.417 -3.536 -5.833 1.00 11.35 C ATOM 0 H VAL B 18 15.057 -5.593 -7.250 1.00 24.32 H new ATOM 0 HA VAL B 18 14.697 -2.777 -7.721 1.00 20.12 H new ATOM 0 HB VAL B 18 17.085 -4.600 -7.554 1.00 61.25 H new ATOM 0 HG11 VAL B 18 18.435 -2.541 -7.369 1.00 24.51 H new ATOM 0 HG12 VAL B 18 17.641 -2.677 -8.955 1.00 24.51 H new ATOM 0 HG13 VAL B 18 16.988 -1.568 -7.726 1.00 24.51 H new ATOM 0 HG21 VAL B 18 17.397 -3.528 -5.355 1.00 11.35 H new ATOM 0 HG22 VAL B 18 15.891 -2.611 -5.596 1.00 11.35 H new ATOM 0 HG23 VAL B 18 15.841 -4.386 -5.466 1.00 11.35 H new ATOM 772 N LEU B 19 14.892 -2.458 -10.113 1.00 22.14 N ATOM 773 CA LEU B 19 14.940 -2.240 -11.548 1.00 40.44 C ATOM 774 C LEU B 19 16.191 -1.429 -11.894 1.00 53.32 C ATOM 775 O LEU B 19 16.852 -1.697 -12.897 1.00 72.41 O ATOM 776 CB LEU B 19 13.639 -1.602 -12.037 1.00 51.32 C ATOM 777 CG LEU B 19 13.169 -0.365 -11.269 1.00 53.34 C ATOM 778 CD1 LEU B 19 12.673 0.721 -12.227 1.00 62.51 C ATOM 779 CD2 LEU B 19 12.111 -0.736 -10.228 1.00 12.34 C ATOM 0 H LEU B 19 14.486 -1.691 -9.578 1.00 22.14 H new ATOM 0 HA LEU B 19 15.019 -3.191 -12.076 1.00 40.44 H new ATOM 0 HB2 LEU B 19 13.763 -1.329 -13.085 1.00 51.32 H new ATOM 0 HB3 LEU B 19 12.850 -2.353 -11.994 1.00 51.32 H new ATOM 0 HG LEU B 19 14.022 0.046 -10.730 1.00 53.34 H new ATOM 0 HD11 LEU B 19 12.345 1.589 -11.655 1.00 62.51 H new ATOM 0 HD12 LEU B 19 13.482 1.013 -12.897 1.00 62.51 H new ATOM 0 HD13 LEU B 19 11.838 0.336 -12.813 1.00 62.51 H new ATOM 0 HD21 LEU B 19 11.794 0.161 -9.696 1.00 12.34 H new ATOM 0 HD22 LEU B 19 11.252 -1.185 -10.726 1.00 12.34 H new ATOM 0 HD23 LEU B 19 12.532 -1.448 -9.519 1.00 12.34 H new ATOM 791 N GLU B 20 16.479 -0.453 -11.046 1.00 14.34 N ATOM 792 CA GLU B 20 17.638 0.399 -11.249 1.00 34.54 C ATOM 793 C GLU B 20 18.239 0.807 -9.903 1.00 11.24 C ATOM 794 O GLU B 20 17.629 1.567 -9.151 1.00 73.14 O ATOM 795 CB GLU B 20 17.275 1.629 -12.083 1.00 72.12 C ATOM 796 CG GLU B 20 16.689 2.735 -11.204 1.00 3.02 C ATOM 797 CD GLU B 20 15.915 3.752 -12.045 1.00 14.15 C ATOM 798 OE1 GLU B 20 14.783 3.472 -12.469 1.00 22.30 O ATOM 799 OE2 GLU B 20 16.527 4.867 -12.252 1.00 10.51 O ATOM 0 H GLU B 20 15.929 -0.233 -10.216 1.00 14.34 H new ATOM 0 HA GLU B 20 18.388 -0.166 -11.803 1.00 34.54 H new ATOM 0 HB2 GLU B 20 18.162 1.999 -12.596 1.00 72.12 H new ATOM 0 HB3 GLU B 20 16.555 1.351 -12.852 1.00 72.12 H new ATOM 0 HG2 GLU B 20 16.028 2.298 -10.456 1.00 3.02 H new ATOM 0 HG3 GLU B 20 17.491 3.239 -10.665 1.00 3.02 H new ATOM 806 N GLU B 21 19.428 0.286 -9.639 1.00 52.30 N ATOM 807 CA GLU B 21 20.118 0.587 -8.396 1.00 50.03 C ATOM 808 C GLU B 21 20.318 2.097 -8.253 1.00 72.41 C ATOM 809 O GLU B 21 20.165 2.842 -9.220 1.00 70.11 O ATOM 810 CB GLU B 21 21.455 -0.153 -8.319 1.00 31.43 C ATOM 811 CG GLU B 21 22.449 0.401 -9.342 1.00 34.25 C ATOM 812 CD GLU B 21 23.255 -0.727 -9.989 1.00 4.34 C ATOM 813 OE1 GLU B 21 22.688 -1.773 -10.337 1.00 22.05 O ATOM 814 OE2 GLU B 21 24.515 -0.486 -10.127 1.00 30.55 O ATOM 0 H GLU B 21 19.931 -0.343 -10.265 1.00 52.30 H new ATOM 0 HA GLU B 21 19.501 0.242 -7.567 1.00 50.03 H new ATOM 0 HB2 GLU B 21 21.870 -0.058 -7.315 1.00 31.43 H new ATOM 0 HB3 GLU B 21 21.297 -1.216 -8.499 1.00 31.43 H new ATOM 0 HG2 GLU B 21 21.913 0.957 -10.111 1.00 34.25 H new ATOM 0 HG3 GLU B 21 23.125 1.103 -8.854 1.00 34.25 H new ATOM 821 N GLY B 22 20.657 2.504 -7.038 1.00 10.10 N ATOM 822 CA GLY B 22 20.880 3.912 -6.756 1.00 32.13 C ATOM 823 C GLY B 22 22.182 4.116 -5.978 1.00 53.45 C ATOM 824 O GLY B 22 23.174 4.584 -6.535 1.00 74.14 O ATOM 0 H GLY B 22 20.783 1.884 -6.238 1.00 10.10 H new ATOM 0 HA2 GLY B 22 20.919 4.472 -7.690 1.00 32.13 H new ATOM 0 HA3 GLY B 22 20.043 4.309 -6.181 1.00 32.13 H new ATOM 828 N GLY B 23 22.135 3.755 -4.704 1.00 3.30 N ATOM 829 CA GLY B 23 23.299 3.893 -3.845 1.00 72.23 C ATOM 830 C GLY B 23 22.887 3.988 -2.375 1.00 35.31 C ATOM 831 O GLY B 23 23.273 4.924 -1.677 1.00 64.14 O ATOM 0 H GLY B 23 21.310 3.367 -4.246 1.00 3.30 H new ATOM 0 HA2 GLY B 23 23.963 3.040 -3.986 1.00 72.23 H new ATOM 0 HA3 GLY B 23 23.860 4.784 -4.127 1.00 72.23 H new ATOM 835 N GLY B 24 22.108 3.005 -1.948 1.00 33.54 N ATOM 836 CA GLY B 24 21.640 2.965 -0.573 1.00 54.22 C ATOM 837 C GLY B 24 21.015 1.607 -0.245 1.00 54.12 C ATOM 838 O GLY B 24 21.196 0.642 -0.985 1.00 71.05 O ATOM 0 H GLY B 24 21.789 2.230 -2.530 1.00 33.54 H new ATOM 0 HA2 GLY B 24 22.472 3.159 0.104 1.00 54.22 H new ATOM 0 HA3 GLY B 24 20.907 3.755 -0.412 1.00 54.22 H new ATOM 842 N THR B 25 20.293 1.576 0.865 1.00 1.10 N ATOM 843 CA THR B 25 19.641 0.353 1.301 1.00 73.25 C ATOM 844 C THR B 25 18.154 0.603 1.559 1.00 41.11 C ATOM 845 O THR B 25 17.748 1.735 1.816 1.00 34.13 O ATOM 846 CB THR B 25 20.391 -0.173 2.526 1.00 21.20 C ATOM 847 OG1 THR B 25 21.656 -0.580 2.011 1.00 13.44 O ATOM 848 CG2 THR B 25 19.781 -1.463 3.077 1.00 35.40 C ATOM 0 H THR B 25 20.145 2.379 1.476 1.00 1.10 H new ATOM 0 HA THR B 25 19.679 -0.413 0.526 1.00 73.25 H new ATOM 0 HB THR B 25 20.392 0.589 3.305 1.00 21.20 H new ATOM 0 HG1 THR B 25 22.208 -0.933 2.740 1.00 13.44 H new ATOM 0 HG21 THR B 25 20.351 -1.793 3.945 1.00 35.40 H new ATOM 0 HG22 THR B 25 18.747 -1.280 3.370 1.00 35.40 H new ATOM 0 HG23 THR B 25 19.810 -2.236 2.309 1.00 35.40 H new ATOM 856 N LEU B 26 17.383 -0.471 1.481 1.00 43.21 N ATOM 857 CA LEU B 26 15.950 -0.382 1.704 1.00 32.01 C ATOM 858 C LEU B 26 15.630 -0.839 3.128 1.00 30.33 C ATOM 859 O LEU B 26 15.260 -1.993 3.345 1.00 0.42 O ATOM 860 CB LEU B 26 15.191 -1.155 0.624 1.00 33.43 C ATOM 861 CG LEU B 26 15.855 -1.212 -0.753 1.00 64.25 C ATOM 862 CD1 LEU B 26 15.411 -2.456 -1.525 1.00 61.13 C ATOM 863 CD2 LEU B 26 15.595 0.074 -1.541 1.00 25.14 C ATOM 0 H LEU B 26 17.724 -1.408 1.266 1.00 43.21 H new ATOM 0 HA LEU B 26 15.615 0.652 1.618 1.00 32.01 H new ATOM 0 HB2 LEU B 26 15.040 -2.176 0.975 1.00 33.43 H new ATOM 0 HB3 LEU B 26 14.204 -0.707 0.511 1.00 33.43 H new ATOM 0 HG LEU B 26 16.933 -1.290 -0.609 1.00 64.25 H new ATOM 0 HD11 LEU B 26 15.898 -2.472 -2.500 1.00 61.13 H new ATOM 0 HD12 LEU B 26 15.689 -3.350 -0.966 1.00 61.13 H new ATOM 0 HD13 LEU B 26 14.330 -2.434 -1.660 1.00 61.13 H new ATOM 0 HD21 LEU B 26 16.078 0.007 -2.516 1.00 25.14 H new ATOM 0 HD22 LEU B 26 14.522 0.207 -1.676 1.00 25.14 H new ATOM 0 HD23 LEU B 26 16.000 0.925 -0.993 1.00 25.14 H new ATOM 875 N VAL B 27 15.784 0.088 4.062 1.00 62.40 N ATOM 876 CA VAL B 27 15.515 -0.206 5.459 1.00 25.15 C ATOM 877 C VAL B 27 14.006 -0.340 5.668 1.00 44.35 C ATOM 878 O VAL B 27 13.282 0.655 5.640 1.00 33.11 O ATOM 879 CB VAL B 27 16.150 0.864 6.350 1.00 14.35 C ATOM 880 CG1 VAL B 27 15.759 0.661 7.816 1.00 73.30 C ATOM 881 CG2 VAL B 27 17.671 0.884 6.185 1.00 14.23 C ATOM 0 H VAL B 27 16.092 1.043 3.879 1.00 62.40 H new ATOM 0 HA VAL B 27 15.967 -1.157 5.743 1.00 25.15 H new ATOM 0 HB VAL B 27 15.767 1.834 6.033 1.00 14.35 H new ATOM 0 HG11 VAL B 27 16.224 1.435 8.427 1.00 73.30 H new ATOM 0 HG12 VAL B 27 14.675 0.722 7.915 1.00 73.30 H new ATOM 0 HG13 VAL B 27 16.099 -0.319 8.151 1.00 73.30 H new ATOM 0 HG21 VAL B 27 18.097 1.653 6.829 1.00 14.23 H new ATOM 0 HG22 VAL B 27 18.080 -0.088 6.461 1.00 14.23 H new ATOM 0 HG23 VAL B 27 17.922 1.101 5.147 1.00 14.23 H new ATOM 891 N CYS B 28 13.576 -1.576 5.871 1.00 34.24 N ATOM 892 CA CYS B 28 12.165 -1.852 6.084 1.00 25.32 C ATOM 893 C CYS B 28 12.002 -2.479 7.470 1.00 23.42 C ATOM 894 O CYS B 28 12.714 -3.421 7.817 1.00 71.15 O ATOM 895 CB CYS B 28 11.592 -2.746 4.982 1.00 31.41 C ATOM 896 SG CYS B 28 9.764 -2.827 4.934 1.00 31.54 S ATOM 0 H CYS B 28 14.179 -2.398 5.893 1.00 34.24 H new ATOM 0 HA CYS B 28 11.598 -0.922 6.039 1.00 25.32 H new ATOM 0 HB2 CYS B 28 11.951 -2.386 4.018 1.00 31.41 H new ATOM 0 HB3 CYS B 28 11.983 -3.755 5.112 1.00 31.41 H new ATOM 901 N CYS B 29 11.062 -1.932 8.225 1.00 13.10 N ATOM 902 CA CYS B 29 10.796 -2.426 9.565 1.00 1.22 C ATOM 903 C CYS B 29 12.059 -2.234 10.407 1.00 22.01 C ATOM 904 O CYS B 29 12.372 -3.062 11.260 1.00 20.35 O ATOM 905 CB CYS B 29 10.337 -3.885 9.550 1.00 14.21 C ATOM 906 SG CYS B 29 8.671 -4.158 8.843 1.00 41.04 S ATOM 0 H CYS B 29 10.474 -1.151 7.934 1.00 13.10 H new ATOM 0 HA CYS B 29 9.976 -1.861 10.007 1.00 1.22 H new ATOM 0 HB2 CYS B 29 11.058 -4.472 8.982 1.00 14.21 H new ATOM 0 HB3 CYS B 29 10.350 -4.266 10.571 1.00 14.21 H new ATOM 911 N GLY B 30 12.750 -1.136 10.137 1.00 12.23 N ATOM 912 CA GLY B 30 13.972 -0.825 10.859 1.00 12.21 C ATOM 913 C GLY B 30 15.032 -1.905 10.634 1.00 23.54 C ATOM 914 O GLY B 30 15.946 -2.061 11.442 1.00 0.15 O ATOM 0 H GLY B 30 12.487 -0.451 9.428 1.00 12.23 H new ATOM 0 HA2 GLY B 30 14.356 0.141 10.531 1.00 12.21 H new ATOM 0 HA3 GLY B 30 13.757 -0.738 11.924 1.00 12.21 H new ATOM 918 N GLU B 31 14.874 -2.623 9.532 1.00 43.05 N ATOM 919 CA GLU B 31 15.807 -3.683 9.190 1.00 22.43 C ATOM 920 C GLU B 31 16.126 -3.649 7.695 1.00 71.34 C ATOM 921 O GLU B 31 15.229 -3.771 6.862 1.00 72.43 O ATOM 922 CB GLU B 31 15.256 -5.051 9.602 1.00 53.22 C ATOM 923 CG GLU B 31 16.391 -6.017 9.949 1.00 54.35 C ATOM 924 CD GLU B 31 15.962 -6.996 11.044 1.00 72.03 C ATOM 925 OE1 GLU B 31 15.771 -6.588 12.199 1.00 72.31 O ATOM 926 OE2 GLU B 31 15.827 -8.219 10.659 1.00 75.23 O ATOM 0 H GLU B 31 14.114 -2.492 8.864 1.00 43.05 H new ATOM 0 HA GLU B 31 16.732 -3.518 9.742 1.00 22.43 H new ATOM 0 HB2 GLU B 31 14.595 -4.937 10.461 1.00 53.22 H new ATOM 0 HB3 GLU B 31 14.656 -5.465 8.791 1.00 53.22 H new ATOM 0 HG2 GLU B 31 16.688 -6.570 9.058 1.00 54.35 H new ATOM 0 HG3 GLU B 31 17.264 -5.454 10.281 1.00 54.35 H new ATOM 933 N ASP B 32 17.406 -3.481 7.399 1.00 41.24 N ATOM 934 CA ASP B 32 17.855 -3.429 6.018 1.00 44.30 C ATOM 935 C ASP B 32 17.423 -4.707 5.297 1.00 3.31 C ATOM 936 O ASP B 32 17.898 -5.796 5.619 1.00 14.51 O ATOM 937 CB ASP B 32 19.380 -3.332 5.937 1.00 2.22 C ATOM 938 CG ASP B 32 20.004 -2.230 6.796 1.00 63.01 C ATOM 939 OD1 ASP B 32 20.235 -2.560 8.022 1.00 23.20 O ATOM 940 OD2 ASP B 32 20.257 -1.114 6.320 1.00 60.24 O ATOM 0 H ASP B 32 18.147 -3.379 8.092 1.00 41.24 H new ATOM 0 HA ASP B 32 17.413 -2.548 5.553 1.00 44.30 H new ATOM 0 HB2 ASP B 32 19.806 -4.290 6.235 1.00 2.22 H new ATOM 0 HB3 ASP B 32 19.664 -3.167 4.898 1.00 2.22 H new ATOM 945 N MET B 33 16.530 -4.533 4.335 1.00 53.25 N ATOM 946 CA MET B 33 16.029 -5.660 3.565 1.00 2.41 C ATOM 947 C MET B 33 17.177 -6.555 3.093 1.00 4.42 C ATOM 948 O MET B 33 18.244 -6.062 2.731 1.00 31.35 O ATOM 949 CB MET B 33 15.252 -5.144 2.352 1.00 12.30 C ATOM 950 CG MET B 33 14.167 -6.139 1.933 1.00 53.31 C ATOM 951 SD MET B 33 12.868 -5.289 1.051 1.00 21.34 S ATOM 952 CE MET B 33 12.459 -4.025 2.242 1.00 3.35 C ATOM 0 H MET B 33 16.140 -3.629 4.070 1.00 53.25 H new ATOM 0 HA MET B 33 15.372 -6.250 4.204 1.00 2.41 H new ATOM 0 HB2 MET B 33 14.797 -4.182 2.589 1.00 12.30 H new ATOM 0 HB3 MET B 33 15.937 -4.976 1.521 1.00 12.30 H new ATOM 0 HG2 MET B 33 14.598 -6.916 1.302 1.00 53.31 H new ATOM 0 HG3 MET B 33 13.757 -6.634 2.813 1.00 53.31 H new ATOM 0 HE1 MET B 33 11.383 -3.850 2.231 1.00 3.35 H new ATOM 0 HE2 MET B 33 12.764 -4.350 3.237 1.00 3.35 H new ATOM 0 HE3 MET B 33 12.980 -3.102 1.986 1.00 3.35 H new ATOM 962 N VAL B 34 16.918 -7.853 3.113 1.00 34.53 N ATOM 963 CA VAL B 34 17.916 -8.823 2.692 1.00 10.43 C ATOM 964 C VAL B 34 17.745 -9.107 1.198 1.00 4.12 C ATOM 965 O VAL B 34 16.683 -8.854 0.632 1.00 32.31 O ATOM 966 CB VAL B 34 17.820 -10.081 3.556 1.00 73.33 C ATOM 967 CG1 VAL B 34 17.391 -9.736 4.983 1.00 21.13 C ATOM 968 CG2 VAL B 34 16.870 -11.104 2.931 1.00 54.05 C ATOM 0 H VAL B 34 16.031 -8.257 3.414 1.00 34.53 H new ATOM 0 HA VAL B 34 18.921 -8.425 2.834 1.00 10.43 H new ATOM 0 HB VAL B 34 18.812 -10.530 3.604 1.00 73.33 H new ATOM 0 HG11 VAL B 34 17.331 -10.649 5.576 1.00 21.13 H new ATOM 0 HG12 VAL B 34 18.121 -9.061 5.429 1.00 21.13 H new ATOM 0 HG13 VAL B 34 16.415 -9.252 4.962 1.00 21.13 H new ATOM 0 HG21 VAL B 34 16.820 -11.989 3.565 1.00 54.05 H new ATOM 0 HG22 VAL B 34 15.876 -10.668 2.838 1.00 54.05 H new ATOM 0 HG23 VAL B 34 17.237 -11.385 1.944 1.00 54.05 H new ATOM 978 N LYS B 35 18.808 -9.630 0.604 1.00 54.31 N ATOM 979 CA LYS B 35 18.790 -9.952 -0.814 1.00 15.32 C ATOM 980 C LYS B 35 18.407 -11.422 -0.992 1.00 62.55 C ATOM 981 O LYS B 35 18.675 -12.247 -0.120 1.00 64.25 O ATOM 982 CB LYS B 35 20.122 -9.578 -1.465 1.00 21.42 C ATOM 983 CG LYS B 35 19.957 -9.371 -2.972 1.00 15.45 C ATOM 984 CD LYS B 35 20.242 -10.664 -3.738 1.00 33.40 C ATOM 985 CE LYS B 35 19.665 -10.601 -5.154 1.00 45.41 C ATOM 986 NZ LYS B 35 18.476 -11.473 -5.269 1.00 74.14 N ATOM 0 H LYS B 35 19.687 -9.839 1.078 1.00 54.31 H new ATOM 0 HA LYS B 35 18.034 -9.361 -1.331 1.00 15.32 H new ATOM 0 HB2 LYS B 35 20.510 -8.667 -1.010 1.00 21.42 H new ATOM 0 HB3 LYS B 35 20.854 -10.364 -1.280 1.00 21.42 H new ATOM 0 HG2 LYS B 35 18.943 -9.033 -3.187 1.00 15.45 H new ATOM 0 HG3 LYS B 35 20.634 -8.587 -3.311 1.00 15.45 H new ATOM 0 HD2 LYS B 35 21.318 -10.832 -3.787 1.00 33.40 H new ATOM 0 HD3 LYS B 35 19.811 -11.510 -3.203 1.00 33.40 H new ATOM 0 HE2 LYS B 35 19.394 -9.574 -5.397 1.00 45.41 H new ATOM 0 HE3 LYS B 35 20.421 -10.911 -5.875 1.00 45.41 H new ATOM 0 HZ1 LYS B 35 17.916 -11.189 -6.098 1.00 74.14 H new ATOM 0 HZ2 LYS B 35 18.780 -12.462 -5.379 1.00 74.14 H new ATOM 0 HZ3 LYS B 35 17.895 -11.383 -4.411 1.00 74.14 H new ATOM 999 N GLN B 36 17.788 -11.705 -2.129 1.00 23.32 N ATOM 1000 CA GLN B 36 17.366 -13.062 -2.434 1.00 63.01 C ATOM 1001 C GLN B 36 18.182 -13.622 -3.602 1.00 13.31 C ATOM 1002 O GLN B 36 18.420 -14.826 -3.677 1.00 51.12 O ATOM 1003 CB GLN B 36 15.868 -13.116 -2.736 1.00 33.10 C ATOM 1004 CG GLN B 36 15.065 -12.380 -1.661 1.00 60.43 C ATOM 1005 CD GLN B 36 14.988 -13.205 -0.373 1.00 45.24 C ATOM 1006 OE1 GLN B 36 14.123 -14.047 -0.196 1.00 24.10 O ATOM 1007 NE2 GLN B 36 15.940 -12.918 0.510 1.00 15.22 N ATOM 0 H GLN B 36 17.569 -11.018 -2.850 1.00 23.32 H new ATOM 0 HA GLN B 36 17.549 -13.684 -1.558 1.00 63.01 H new ATOM 0 HB2 GLN B 36 15.674 -12.668 -3.711 1.00 33.10 H new ATOM 0 HB3 GLN B 36 15.542 -14.155 -2.791 1.00 33.10 H new ATOM 0 HG2 GLN B 36 15.528 -11.416 -1.452 1.00 60.43 H new ATOM 0 HG3 GLN B 36 14.059 -12.178 -2.028 1.00 60.43 H new ATOM 0 HE21 GLN B 36 16.634 -12.201 0.297 1.00 15.22 H new ATOM 0 HE22 GLN B 36 15.977 -13.415 1.400 1.00 15.22 H new TER 1016 GLN B 36 HETATM 1017 CD CD A 37 18.985 5.790 -1.217 1.00 71.11 CD HETATM 1018 CD CD B 37 9.168 -4.621 6.540 1.00 24.32 CD