USER MOD reduce.3.24.130724 H: found=0, std=0, add=265, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 263 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 NoAdj-H: A 26 HIS HE2 : A 26 HIS NE2 : A 181 ZNZN :(H bumps) USER MOD NoAdj-H: A 31 HIS HE2 : A 31 HIS NE2 : A 181 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 29:sc= 0.26 USER MOD Single : A 20 SER OG : rot 175:sc= -1.53 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -23.447 -19.173 -8.761 1.00 0.00 N ATOM 2 CA GLY A 1 -22.963 -19.729 -7.511 1.00 0.00 C ATOM 3 C GLY A 1 -22.071 -18.765 -6.755 1.00 0.00 C ATOM 4 O GLY A 1 -22.389 -17.583 -6.628 1.00 0.00 O ATOM 0 H1 GLY A 1 -24.052 -19.870 -9.240 1.00 0.00 H new ATOM 0 H2 GLY A 1 -23.997 -18.312 -8.568 1.00 0.00 H new ATOM 0 H3 GLY A 1 -22.639 -18.938 -9.372 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -23.813 -20.001 -6.885 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -22.411 -20.647 -7.715 1.00 0.00 H new ATOM 8 N SER A 2 -20.950 -19.271 -6.249 1.00 0.00 N ATOM 9 CA SER A 2 -20.011 -18.447 -5.496 1.00 0.00 C ATOM 10 C SER A 2 -18.575 -18.731 -5.924 1.00 0.00 C ATOM 11 O SER A 2 -18.270 -19.807 -6.438 1.00 0.00 O ATOM 12 CB SER A 2 -20.168 -18.700 -3.995 1.00 0.00 C ATOM 13 OG SER A 2 -19.625 -17.633 -3.238 1.00 0.00 O ATOM 0 H SER A 2 -20.670 -20.247 -6.347 1.00 0.00 H new ATOM 0 HA SER A 2 -20.234 -17.401 -5.706 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.224 -18.822 -3.752 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.670 -19.631 -3.726 1.00 0.00 H new ATOM 0 HG SER A 2 -19.740 -17.818 -2.283 1.00 0.00 H new ATOM 19 N SER A 3 -17.696 -17.758 -5.707 1.00 0.00 N ATOM 20 CA SER A 3 -16.292 -17.900 -6.073 1.00 0.00 C ATOM 21 C SER A 3 -15.406 -17.046 -5.171 1.00 0.00 C ATOM 22 O SER A 3 -15.784 -15.945 -4.773 1.00 0.00 O ATOM 23 CB SER A 3 -16.081 -17.505 -7.536 1.00 0.00 C ATOM 24 OG SER A 3 -16.268 -16.112 -7.720 1.00 0.00 O ATOM 0 H SER A 3 -17.932 -16.862 -5.279 1.00 0.00 H new ATOM 0 HA SER A 3 -16.013 -18.946 -5.943 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.075 -17.785 -7.850 1.00 0.00 H new ATOM 0 HB3 SER A 3 -16.777 -18.055 -8.169 1.00 0.00 H new ATOM 0 HG SER A 3 -16.126 -15.885 -8.663 1.00 0.00 H new ATOM 30 N GLY A 4 -14.223 -17.563 -4.852 1.00 0.00 N ATOM 31 CA GLY A 4 -13.301 -16.836 -4.000 1.00 0.00 C ATOM 32 C GLY A 4 -12.791 -15.565 -4.649 1.00 0.00 C ATOM 33 O GLY A 4 -12.490 -15.546 -5.843 1.00 0.00 O ATOM 0 H GLY A 4 -13.887 -18.473 -5.169 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.797 -16.587 -3.062 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.456 -17.479 -3.753 1.00 0.00 H new ATOM 37 N SER A 5 -12.695 -14.498 -3.862 1.00 0.00 N ATOM 38 CA SER A 5 -12.223 -13.214 -4.369 1.00 0.00 C ATOM 39 C SER A 5 -10.729 -13.045 -4.113 1.00 0.00 C ATOM 40 O SER A 5 -10.174 -13.643 -3.191 1.00 0.00 O ATOM 41 CB SER A 5 -12.997 -12.068 -3.714 1.00 0.00 C ATOM 42 OG SER A 5 -12.961 -12.170 -2.301 1.00 0.00 O ATOM 0 H SER A 5 -12.938 -14.497 -2.871 1.00 0.00 H new ATOM 0 HA SER A 5 -12.394 -13.191 -5.445 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.571 -11.114 -4.024 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.032 -12.081 -4.056 1.00 0.00 H new ATOM 0 HG SER A 5 -13.461 -11.425 -1.906 1.00 0.00 H new ATOM 48 N SER A 6 -10.083 -12.226 -4.937 1.00 0.00 N ATOM 49 CA SER A 6 -8.652 -11.980 -4.804 1.00 0.00 C ATOM 50 C SER A 6 -8.357 -10.484 -4.788 1.00 0.00 C ATOM 51 O SER A 6 -8.736 -9.755 -5.704 1.00 0.00 O ATOM 52 CB SER A 6 -7.889 -12.650 -5.949 1.00 0.00 C ATOM 53 OG SER A 6 -6.503 -12.366 -5.873 1.00 0.00 O ATOM 0 H SER A 6 -10.528 -11.722 -5.704 1.00 0.00 H new ATOM 0 HA SER A 6 -8.322 -12.408 -3.857 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.045 -13.728 -5.912 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.283 -12.303 -6.904 1.00 0.00 H new ATOM 0 HG SER A 6 -6.038 -12.807 -6.614 1.00 0.00 H new ATOM 59 N GLY A 7 -7.677 -10.032 -3.739 1.00 0.00 N ATOM 60 CA GLY A 7 -7.342 -8.625 -3.622 1.00 0.00 C ATOM 61 C GLY A 7 -6.174 -8.231 -4.505 1.00 0.00 C ATOM 62 O GLY A 7 -5.898 -8.887 -5.510 1.00 0.00 O ATOM 0 H GLY A 7 -7.352 -10.615 -2.968 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.212 -8.024 -3.887 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.101 -8.397 -2.584 1.00 0.00 H new ATOM 66 N TYR A 8 -5.488 -7.156 -4.132 1.00 0.00 N ATOM 67 CA TYR A 8 -4.347 -6.674 -4.900 1.00 0.00 C ATOM 68 C TYR A 8 -3.034 -7.104 -4.253 1.00 0.00 C ATOM 69 O TYR A 8 -2.953 -7.269 -3.036 1.00 0.00 O ATOM 70 CB TYR A 8 -4.394 -5.150 -5.020 1.00 0.00 C ATOM 71 CG TYR A 8 -5.546 -4.644 -5.859 1.00 0.00 C ATOM 72 CD1 TYR A 8 -6.794 -4.415 -5.294 1.00 0.00 C ATOM 73 CD2 TYR A 8 -5.385 -4.393 -7.216 1.00 0.00 C ATOM 74 CE1 TYR A 8 -7.850 -3.953 -6.057 1.00 0.00 C ATOM 75 CE2 TYR A 8 -6.434 -3.930 -7.986 1.00 0.00 C ATOM 76 CZ TYR A 8 -7.665 -3.712 -7.402 1.00 0.00 C ATOM 77 OH TYR A 8 -8.713 -3.251 -8.165 1.00 0.00 O ATOM 0 H TYR A 8 -5.703 -6.602 -3.303 1.00 0.00 H new ATOM 0 HA TYR A 8 -4.401 -7.112 -5.897 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -4.465 -4.717 -4.022 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -3.458 -4.799 -5.454 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -6.942 -4.601 -4.240 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -4.423 -4.563 -7.677 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -8.815 -3.782 -5.602 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -6.292 -3.740 -9.039 1.00 0.00 H new ATOM 0 HH TYR A 8 -8.416 -3.132 -9.091 1.00 0.00 H new ATOM 87 N VAL A 9 -2.006 -7.283 -5.077 1.00 0.00 N ATOM 88 CA VAL A 9 -0.696 -7.692 -4.587 1.00 0.00 C ATOM 89 C VAL A 9 0.395 -6.750 -5.083 1.00 0.00 C ATOM 90 O VAL A 9 0.376 -6.311 -6.233 1.00 0.00 O ATOM 91 CB VAL A 9 -0.356 -9.129 -5.026 1.00 0.00 C ATOM 92 CG1 VAL A 9 1.001 -9.547 -4.480 1.00 0.00 C ATOM 93 CG2 VAL A 9 -1.442 -10.094 -4.575 1.00 0.00 C ATOM 0 H VAL A 9 -2.056 -7.151 -6.087 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.739 -7.653 -3.499 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.307 -9.156 -6.115 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.224 -10.565 -4.800 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.769 -8.871 -4.857 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.984 -9.505 -3.391 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.186 -11.105 -4.893 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.525 -10.066 -3.489 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.394 -9.804 -5.019 1.00 0.00 H new ATOM 103 N CYS A 10 1.346 -6.442 -4.207 1.00 0.00 N ATOM 104 CA CYS A 10 2.447 -5.551 -4.555 1.00 0.00 C ATOM 105 C CYS A 10 3.270 -6.126 -5.704 1.00 0.00 C ATOM 106 O CYS A 10 3.290 -7.337 -5.921 1.00 0.00 O ATOM 107 CB CYS A 10 3.344 -5.316 -3.338 1.00 0.00 C ATOM 108 SG CYS A 10 4.163 -3.689 -3.321 1.00 0.00 S ATOM 0 H CYS A 10 1.376 -6.796 -3.251 1.00 0.00 H new ATOM 0 HA CYS A 10 2.024 -4.599 -4.876 1.00 0.00 H new ATOM 0 HB2 CYS A 10 2.745 -5.419 -2.433 1.00 0.00 H new ATOM 0 HB3 CYS A 10 4.106 -6.095 -3.306 1.00 0.00 H new ATOM 113 N ALA A 11 3.947 -5.247 -6.436 1.00 0.00 N ATOM 114 CA ALA A 11 4.773 -5.667 -7.561 1.00 0.00 C ATOM 115 C ALA A 11 6.233 -5.814 -7.145 1.00 0.00 C ATOM 116 O ALA A 11 7.039 -6.401 -7.868 1.00 0.00 O ATOM 117 CB ALA A 11 4.647 -4.675 -8.708 1.00 0.00 C ATOM 0 H ALA A 11 3.940 -4.241 -6.270 1.00 0.00 H new ATOM 0 HA ALA A 11 4.418 -6.641 -7.897 1.00 0.00 H new ATOM 0 HB1 ALA A 11 5.269 -5.001 -9.541 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.607 -4.622 -9.031 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.974 -3.690 -8.375 1.00 0.00 H new ATOM 123 N LEU A 12 6.567 -5.278 -5.977 1.00 0.00 N ATOM 124 CA LEU A 12 7.931 -5.349 -5.464 1.00 0.00 C ATOM 125 C LEU A 12 8.060 -6.442 -4.409 1.00 0.00 C ATOM 126 O LEU A 12 8.707 -7.465 -4.636 1.00 0.00 O ATOM 127 CB LEU A 12 8.345 -4.001 -4.872 1.00 0.00 C ATOM 128 CG LEU A 12 8.053 -2.771 -5.732 1.00 0.00 C ATOM 129 CD1 LEU A 12 6.568 -2.445 -5.710 1.00 0.00 C ATOM 130 CD2 LEU A 12 8.870 -1.579 -5.254 1.00 0.00 C ATOM 0 H LEU A 12 5.912 -4.789 -5.367 1.00 0.00 H new ATOM 0 HA LEU A 12 8.593 -5.592 -6.295 1.00 0.00 H new ATOM 0 HB2 LEU A 12 7.840 -3.877 -3.914 1.00 0.00 H new ATOM 0 HB3 LEU A 12 9.415 -4.030 -4.667 1.00 0.00 H new ATOM 0 HG LEU A 12 8.340 -2.994 -6.760 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.379 -1.567 -6.327 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.004 -3.292 -6.101 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.255 -2.242 -4.686 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.649 -0.713 -5.878 1.00 0.00 H new ATOM 0 HD22 LEU A 12 8.615 -1.355 -4.218 1.00 0.00 H new ATOM 0 HD23 LEU A 12 9.932 -1.815 -5.323 1.00 0.00 H new ATOM 142 N CYS A 13 7.439 -6.221 -3.256 1.00 0.00 N ATOM 143 CA CYS A 13 7.482 -7.187 -2.165 1.00 0.00 C ATOM 144 C CYS A 13 6.555 -8.366 -2.446 1.00 0.00 C ATOM 145 O CYS A 13 6.585 -9.376 -1.742 1.00 0.00 O ATOM 146 CB CYS A 13 7.089 -6.518 -0.847 1.00 0.00 C ATOM 147 SG CYS A 13 5.322 -6.091 -0.728 1.00 0.00 S ATOM 0 H CYS A 13 6.899 -5.380 -3.053 1.00 0.00 H new ATOM 0 HA CYS A 13 8.503 -7.561 -2.084 1.00 0.00 H new ATOM 0 HB2 CYS A 13 7.347 -7.183 -0.023 1.00 0.00 H new ATOM 0 HB3 CYS A 13 7.680 -5.611 -0.722 1.00 0.00 H new ATOM 152 N LEU A 14 5.732 -8.231 -3.480 1.00 0.00 N ATOM 153 CA LEU A 14 4.795 -9.284 -3.856 1.00 0.00 C ATOM 154 C LEU A 14 3.920 -9.682 -2.672 1.00 0.00 C ATOM 155 O LEU A 14 3.665 -10.865 -2.444 1.00 0.00 O ATOM 156 CB LEU A 14 5.554 -10.506 -4.377 1.00 0.00 C ATOM 157 CG LEU A 14 5.978 -10.456 -5.845 1.00 0.00 C ATOM 158 CD1 LEU A 14 4.830 -9.973 -6.717 1.00 0.00 C ATOM 159 CD2 LEU A 14 7.196 -9.560 -6.018 1.00 0.00 C ATOM 0 H LEU A 14 5.694 -7.402 -4.073 1.00 0.00 H new ATOM 0 HA LEU A 14 4.151 -8.899 -4.647 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.446 -10.642 -3.766 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.929 -11.387 -4.230 1.00 0.00 H new ATOM 0 HG LEU A 14 6.246 -11.464 -6.160 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.151 -9.944 -7.758 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.985 -10.654 -6.617 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.529 -8.974 -6.402 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.484 -9.536 -7.069 1.00 0.00 H new ATOM 0 HD22 LEU A 14 6.955 -8.550 -5.685 1.00 0.00 H new ATOM 0 HD23 LEU A 14 8.022 -9.951 -5.424 1.00 0.00 H new ATOM 171 N LYS A 15 3.460 -8.686 -1.922 1.00 0.00 N ATOM 172 CA LYS A 15 2.609 -8.930 -0.763 1.00 0.00 C ATOM 173 C LYS A 15 1.139 -8.724 -1.114 1.00 0.00 C ATOM 174 O LYS A 15 0.797 -7.853 -1.914 1.00 0.00 O ATOM 175 CB LYS A 15 3.004 -8.004 0.389 1.00 0.00 C ATOM 176 CG LYS A 15 2.170 -8.203 1.643 1.00 0.00 C ATOM 177 CD LYS A 15 2.555 -7.215 2.732 1.00 0.00 C ATOM 178 CE LYS A 15 1.403 -6.968 3.693 1.00 0.00 C ATOM 179 NZ LYS A 15 1.777 -6.014 4.774 1.00 0.00 N ATOM 0 H LYS A 15 3.662 -7.702 -2.096 1.00 0.00 H new ATOM 0 HA LYS A 15 2.748 -9.966 -0.453 1.00 0.00 H new ATOM 0 HB2 LYS A 15 4.054 -8.167 0.632 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.910 -6.969 0.061 1.00 0.00 H new ATOM 0 HG2 LYS A 15 1.114 -8.086 1.401 1.00 0.00 H new ATOM 0 HG3 LYS A 15 2.301 -9.221 2.011 1.00 0.00 H new ATOM 0 HD2 LYS A 15 3.415 -7.596 3.283 1.00 0.00 H new ATOM 0 HD3 LYS A 15 2.860 -6.272 2.278 1.00 0.00 H new ATOM 0 HE2 LYS A 15 0.548 -6.576 3.142 1.00 0.00 H new ATOM 0 HE3 LYS A 15 1.090 -7.914 4.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 0.965 -5.872 5.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 2.576 -6.400 5.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 2.051 -5.103 4.354 1.00 0.00 H new ATOM 193 N LYS A 16 0.273 -9.530 -0.510 1.00 0.00 N ATOM 194 CA LYS A 16 -1.161 -9.436 -0.756 1.00 0.00 C ATOM 195 C LYS A 16 -1.774 -8.286 0.038 1.00 0.00 C ATOM 196 O LYS A 16 -1.256 -7.895 1.084 1.00 0.00 O ATOM 197 CB LYS A 16 -1.851 -10.751 -0.385 1.00 0.00 C ATOM 198 CG LYS A 16 -3.193 -10.947 -1.069 1.00 0.00 C ATOM 199 CD LYS A 16 -3.681 -12.380 -0.939 1.00 0.00 C ATOM 200 CE LYS A 16 -4.549 -12.782 -2.122 1.00 0.00 C ATOM 201 NZ LYS A 16 -5.256 -14.070 -1.877 1.00 0.00 N ATOM 0 H LYS A 16 0.540 -10.257 0.154 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.310 -9.242 -1.818 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.195 -11.582 -0.645 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.995 -10.784 0.695 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.927 -10.271 -0.632 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.107 -10.685 -2.124 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.826 -13.052 -0.869 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.249 -12.490 -0.015 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.280 -11.998 -2.319 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.929 -12.872 -3.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.837 -14.310 -2.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.558 -14.823 -1.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.867 -13.977 -1.041 1.00 0.00 H new ATOM 215 N PHE A 17 -2.881 -7.750 -0.465 1.00 0.00 N ATOM 216 CA PHE A 17 -3.566 -6.646 0.198 1.00 0.00 C ATOM 217 C PHE A 17 -5.080 -6.817 0.116 1.00 0.00 C ATOM 218 O PHE A 17 -5.578 -7.746 -0.520 1.00 0.00 O ATOM 219 CB PHE A 17 -3.157 -5.313 -0.432 1.00 0.00 C ATOM 220 CG PHE A 17 -1.728 -4.936 -0.163 1.00 0.00 C ATOM 221 CD1 PHE A 17 -0.690 -5.625 -0.769 1.00 0.00 C ATOM 222 CD2 PHE A 17 -1.423 -3.893 0.696 1.00 0.00 C ATOM 223 CE1 PHE A 17 0.626 -5.281 -0.524 1.00 0.00 C ATOM 224 CE2 PHE A 17 -0.109 -3.543 0.944 1.00 0.00 C ATOM 225 CZ PHE A 17 0.917 -4.239 0.334 1.00 0.00 C ATOM 0 H PHE A 17 -3.323 -8.062 -1.330 1.00 0.00 H new ATOM 0 HA PHE A 17 -3.275 -6.649 1.248 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.314 -5.366 -1.509 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.809 -4.526 -0.054 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.912 -6.441 -1.441 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -2.221 -3.347 1.177 1.00 0.00 H new ATOM 0 HE1 PHE A 17 1.426 -5.826 -1.003 1.00 0.00 H new ATOM 0 HE2 PHE A 17 0.116 -2.726 1.614 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.944 -3.969 0.528 1.00 0.00 H new ATOM 235 N VAL A 18 -5.807 -5.914 0.766 1.00 0.00 N ATOM 236 CA VAL A 18 -7.264 -5.963 0.767 1.00 0.00 C ATOM 237 C VAL A 18 -7.840 -5.219 -0.432 1.00 0.00 C ATOM 238 O VAL A 18 -8.882 -5.597 -0.968 1.00 0.00 O ATOM 239 CB VAL A 18 -7.845 -5.359 2.059 1.00 0.00 C ATOM 240 CG1 VAL A 18 -7.248 -3.985 2.322 1.00 0.00 C ATOM 241 CG2 VAL A 18 -9.362 -5.283 1.977 1.00 0.00 C ATOM 0 H VAL A 18 -5.411 -5.140 1.299 1.00 0.00 H new ATOM 0 HA VAL A 18 -7.545 -7.014 0.708 1.00 0.00 H new ATOM 0 HB VAL A 18 -7.581 -6.009 2.893 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -7.671 -3.574 3.239 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.167 -4.072 2.428 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -7.478 -3.322 1.488 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -9.755 -4.854 2.899 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -9.650 -4.656 1.133 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.770 -6.285 1.841 1.00 0.00 H new ATOM 251 N SER A 19 -7.155 -4.159 -0.849 1.00 0.00 N ATOM 252 CA SER A 19 -7.600 -3.359 -1.984 1.00 0.00 C ATOM 253 C SER A 19 -6.415 -2.700 -2.683 1.00 0.00 C ATOM 254 O SER A 19 -5.288 -2.739 -2.188 1.00 0.00 O ATOM 255 CB SER A 19 -8.594 -2.291 -1.524 1.00 0.00 C ATOM 256 OG SER A 19 -9.916 -2.800 -1.501 1.00 0.00 O ATOM 0 H SER A 19 -6.290 -3.834 -0.418 1.00 0.00 H new ATOM 0 HA SER A 19 -8.094 -4.023 -2.693 1.00 0.00 H new ATOM 0 HB2 SER A 19 -8.319 -1.939 -0.530 1.00 0.00 H new ATOM 0 HB3 SER A 19 -8.544 -1.431 -2.192 1.00 0.00 H new ATOM 0 HG SER A 19 -9.892 -3.766 -1.335 1.00 0.00 H new ATOM 262 N SER A 20 -6.678 -2.094 -3.836 1.00 0.00 N ATOM 263 CA SER A 20 -5.633 -1.429 -4.606 1.00 0.00 C ATOM 264 C SER A 20 -5.058 -0.246 -3.832 1.00 0.00 C ATOM 265 O SER A 20 -3.877 -0.233 -3.484 1.00 0.00 O ATOM 266 CB SER A 20 -6.185 -0.953 -5.951 1.00 0.00 C ATOM 267 OG SER A 20 -5.138 -0.699 -6.871 1.00 0.00 O ATOM 0 H SER A 20 -7.606 -2.050 -4.258 1.00 0.00 H new ATOM 0 HA SER A 20 -4.834 -2.148 -4.784 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.857 -1.708 -6.359 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.774 -0.047 -5.806 1.00 0.00 H new ATOM 0 HG SER A 20 -5.518 -0.475 -7.746 1.00 0.00 H new ATOM 273 N ILE A 21 -5.902 0.746 -3.568 1.00 0.00 N ATOM 274 CA ILE A 21 -5.479 1.933 -2.835 1.00 0.00 C ATOM 275 C ILE A 21 -4.546 1.566 -1.685 1.00 0.00 C ATOM 276 O ILE A 21 -3.425 2.067 -1.598 1.00 0.00 O ATOM 277 CB ILE A 21 -6.685 2.709 -2.275 1.00 0.00 C ATOM 278 CG1 ILE A 21 -7.600 3.164 -3.414 1.00 0.00 C ATOM 279 CG2 ILE A 21 -6.215 3.902 -1.457 1.00 0.00 C ATOM 280 CD1 ILE A 21 -6.930 4.113 -4.384 1.00 0.00 C ATOM 0 H ILE A 21 -6.882 0.751 -3.851 1.00 0.00 H new ATOM 0 HA ILE A 21 -4.947 2.568 -3.543 1.00 0.00 H new ATOM 0 HB ILE A 21 -7.252 2.046 -1.621 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -7.951 2.288 -3.959 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -8.479 3.650 -2.991 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -7.080 4.440 -1.068 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -5.600 3.554 -0.627 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -5.628 4.568 -2.089 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -7.637 4.394 -5.165 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -6.603 5.006 -3.852 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -6.067 3.623 -4.835 1.00 0.00 H new ATOM 292 N ARG A 22 -5.017 0.687 -0.807 1.00 0.00 N ATOM 293 CA ARG A 22 -4.225 0.252 0.338 1.00 0.00 C ATOM 294 C ARG A 22 -2.821 -0.157 -0.097 1.00 0.00 C ATOM 295 O ARG A 22 -1.841 0.109 0.601 1.00 0.00 O ATOM 296 CB ARG A 22 -4.913 -0.917 1.046 1.00 0.00 C ATOM 297 CG ARG A 22 -6.334 -0.610 1.488 1.00 0.00 C ATOM 298 CD ARG A 22 -6.362 0.446 2.582 1.00 0.00 C ATOM 299 NE ARG A 22 -7.500 0.274 3.480 1.00 0.00 N ATOM 300 CZ ARG A 22 -8.011 1.255 4.215 1.00 0.00 C ATOM 301 NH1 ARG A 22 -7.488 2.472 4.158 1.00 0.00 N ATOM 302 NH2 ARG A 22 -9.048 1.020 5.009 1.00 0.00 N ATOM 0 H ARG A 22 -5.942 0.262 -0.866 1.00 0.00 H new ATOM 0 HA ARG A 22 -4.142 1.089 1.031 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.927 -1.778 0.378 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.324 -1.200 1.918 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.915 -0.265 0.633 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.809 -1.522 1.849 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -5.437 0.398 3.156 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.404 1.436 2.129 1.00 0.00 H new ATOM 0 HE ARG A 22 -7.926 -0.650 3.547 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.691 2.657 3.549 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -7.882 3.224 4.724 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -9.453 0.085 5.055 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -9.440 1.774 5.573 1.00 0.00 H new ATOM 316 N LEU A 23 -2.731 -0.807 -1.252 1.00 0.00 N ATOM 317 CA LEU A 23 -1.446 -1.254 -1.780 1.00 0.00 C ATOM 318 C LEU A 23 -0.632 -0.074 -2.302 1.00 0.00 C ATOM 319 O LEU A 23 0.556 0.052 -2.003 1.00 0.00 O ATOM 320 CB LEU A 23 -1.660 -2.275 -2.899 1.00 0.00 C ATOM 321 CG LEU A 23 -0.511 -2.429 -3.896 1.00 0.00 C ATOM 322 CD1 LEU A 23 0.767 -2.834 -3.178 1.00 0.00 C ATOM 323 CD2 LEU A 23 -0.868 -3.448 -4.968 1.00 0.00 C ATOM 0 H LEU A 23 -3.532 -1.036 -1.841 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.891 -1.724 -0.968 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.853 -3.247 -2.445 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.558 -1.997 -3.450 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.343 -1.467 -4.379 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.574 -2.939 -3.903 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.032 -2.069 -2.448 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.612 -3.785 -2.668 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.039 -3.545 -5.669 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.063 -4.414 -4.502 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.758 -3.117 -5.503 1.00 0.00 H new ATOM 335 N ARG A 24 -1.278 0.787 -3.080 1.00 0.00 N ATOM 336 CA ARG A 24 -0.614 1.957 -3.642 1.00 0.00 C ATOM 337 C ARG A 24 0.217 2.672 -2.580 1.00 0.00 C ATOM 338 O ARG A 24 1.435 2.796 -2.711 1.00 0.00 O ATOM 339 CB ARG A 24 -1.644 2.920 -4.233 1.00 0.00 C ATOM 340 CG ARG A 24 -2.451 2.324 -5.375 1.00 0.00 C ATOM 341 CD ARG A 24 -3.246 3.391 -6.111 1.00 0.00 C ATOM 342 NE ARG A 24 -3.572 2.986 -7.476 1.00 0.00 N ATOM 343 CZ ARG A 24 -4.629 2.245 -7.790 1.00 0.00 C ATOM 344 NH1 ARG A 24 -5.458 1.831 -6.842 1.00 0.00 N ATOM 345 NH2 ARG A 24 -4.859 1.918 -9.055 1.00 0.00 N ATOM 0 H ARG A 24 -2.261 0.697 -3.336 1.00 0.00 H new ATOM 0 HA ARG A 24 0.053 1.619 -4.435 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.326 3.238 -3.444 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -1.131 3.813 -4.589 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -1.781 1.822 -6.073 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -3.131 1.566 -4.985 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.166 3.599 -5.565 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -2.673 4.318 -6.135 1.00 0.00 H new ATOM 0 HE ARG A 24 -2.954 3.289 -8.229 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -5.285 2.081 -5.868 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -6.269 1.262 -7.086 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -4.224 2.236 -9.787 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -5.671 1.349 -9.295 1.00 0.00 H new ATOM 359 N SER A 25 -0.450 3.141 -1.531 1.00 0.00 N ATOM 360 CA SER A 25 0.226 3.848 -0.449 1.00 0.00 C ATOM 361 C SER A 25 1.359 3.003 0.127 1.00 0.00 C ATOM 362 O SER A 25 2.472 3.490 0.328 1.00 0.00 O ATOM 363 CB SER A 25 -0.771 4.206 0.655 1.00 0.00 C ATOM 364 OG SER A 25 -1.421 5.434 0.376 1.00 0.00 O ATOM 0 H SER A 25 -1.458 3.044 -1.407 1.00 0.00 H new ATOM 0 HA SER A 25 0.651 4.765 -0.856 1.00 0.00 H new ATOM 0 HB2 SER A 25 -1.512 3.412 0.752 1.00 0.00 H new ATOM 0 HB3 SER A 25 -0.251 4.275 1.611 1.00 0.00 H new ATOM 0 HG SER A 25 -2.054 5.640 1.095 1.00 0.00 H new ATOM 370 N HIS A 26 1.066 1.734 0.392 1.00 0.00 N ATOM 371 CA HIS A 26 2.059 0.820 0.945 1.00 0.00 C ATOM 372 C HIS A 26 3.381 0.933 0.191 1.00 0.00 C ATOM 373 O HIS A 26 4.454 0.779 0.774 1.00 0.00 O ATOM 374 CB HIS A 26 1.547 -0.619 0.888 1.00 0.00 C ATOM 375 CG HIS A 26 2.639 -1.641 0.800 1.00 0.00 C ATOM 376 ND1 HIS A 26 3.015 -2.433 1.865 1.00 0.00 N ATOM 377 CD2 HIS A 26 3.435 -1.999 -0.233 1.00 0.00 C ATOM 378 CE1 HIS A 26 3.998 -3.232 1.490 1.00 0.00 C ATOM 379 NE2 HIS A 26 4.271 -2.990 0.221 1.00 0.00 N ATOM 0 H HIS A 26 0.150 1.315 0.233 1.00 0.00 H new ATOM 0 HA HIS A 26 2.230 1.095 1.986 1.00 0.00 H new ATOM 0 HB2 HIS A 26 0.946 -0.817 1.775 1.00 0.00 H new ATOM 0 HB3 HIS A 26 0.889 -0.728 0.026 1.00 0.00 H new ATOM 0 HD1 HIS A 26 2.599 -2.406 2.796 1.00 0.00 H new ATOM 0 HD2 HIS A 26 3.417 -1.583 -1.230 1.00 0.00 H new ATOM 0 HE1 HIS A 26 4.494 -3.960 2.115 1.00 0.00 H new ATOM 387 N ILE A 27 3.294 1.201 -1.107 1.00 0.00 N ATOM 388 CA ILE A 27 4.483 1.334 -1.940 1.00 0.00 C ATOM 389 C ILE A 27 5.134 2.701 -1.755 1.00 0.00 C ATOM 390 O ILE A 27 6.339 2.858 -1.952 1.00 0.00 O ATOM 391 CB ILE A 27 4.152 1.134 -3.431 1.00 0.00 C ATOM 392 CG1 ILE A 27 3.312 -0.131 -3.624 1.00 0.00 C ATOM 393 CG2 ILE A 27 5.430 1.058 -4.252 1.00 0.00 C ATOM 394 CD1 ILE A 27 2.575 -0.171 -4.944 1.00 0.00 C ATOM 0 H ILE A 27 2.413 1.330 -1.605 1.00 0.00 H new ATOM 0 HA ILE A 27 5.178 0.557 -1.623 1.00 0.00 H new ATOM 0 HB ILE A 27 3.572 1.989 -3.777 1.00 0.00 H new ATOM 0 HG12 ILE A 27 3.962 -1.003 -3.553 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.589 -0.205 -2.811 1.00 0.00 H new ATOM 0 HG21 ILE A 27 5.179 0.917 -5.303 1.00 0.00 H new ATOM 0 HG22 ILE A 27 5.993 1.984 -4.135 1.00 0.00 H new ATOM 0 HG23 ILE A 27 6.035 0.219 -3.907 1.00 0.00 H new ATOM 0 HD11 ILE A 27 2.001 -1.095 -5.012 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.899 0.682 -5.009 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.293 -0.129 -5.763 1.00 0.00 H new ATOM 406 N ARG A 28 4.329 3.687 -1.373 1.00 0.00 N ATOM 407 CA ARG A 28 4.826 5.041 -1.160 1.00 0.00 C ATOM 408 C ARG A 28 5.341 5.213 0.266 1.00 0.00 C ATOM 409 O ARG A 28 5.991 6.207 0.585 1.00 0.00 O ATOM 410 CB ARG A 28 3.723 6.062 -1.442 1.00 0.00 C ATOM 411 CG ARG A 28 2.970 5.804 -2.737 1.00 0.00 C ATOM 412 CD ARG A 28 3.866 5.994 -3.950 1.00 0.00 C ATOM 413 NE ARG A 28 3.881 7.381 -4.408 1.00 0.00 N ATOM 414 CZ ARG A 28 2.827 7.991 -4.939 1.00 0.00 C ATOM 415 NH1 ARG A 28 1.681 7.339 -5.079 1.00 0.00 N ATOM 416 NH2 ARG A 28 2.919 9.255 -5.332 1.00 0.00 N ATOM 0 H ARG A 28 3.329 3.573 -1.205 1.00 0.00 H new ATOM 0 HA ARG A 28 5.653 5.210 -1.849 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.015 6.058 -0.613 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.163 7.058 -1.480 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.573 4.789 -2.732 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.117 6.480 -2.804 1.00 0.00 H new ATOM 0 HD2 ARG A 28 4.881 5.683 -3.703 1.00 0.00 H new ATOM 0 HD3 ARG A 28 3.523 5.349 -4.759 1.00 0.00 H new ATOM 0 HE ARG A 28 4.748 7.910 -4.315 1.00 0.00 H new ATOM 0 HH11 ARG A 28 1.607 6.367 -4.779 1.00 0.00 H new ATOM 0 HH12 ARG A 28 0.873 7.809 -5.487 1.00 0.00 H new ATOM 0 HH21 ARG A 28 3.799 9.759 -5.227 1.00 0.00 H new ATOM 0 HH22 ARG A 28 2.109 9.723 -5.740 1.00 0.00 H new ATOM 430 N GLU A 29 5.045 4.236 1.118 1.00 0.00 N ATOM 431 CA GLU A 29 5.477 4.281 2.510 1.00 0.00 C ATOM 432 C GLU A 29 6.473 3.164 2.807 1.00 0.00 C ATOM 433 O GLU A 29 7.555 3.407 3.341 1.00 0.00 O ATOM 434 CB GLU A 29 4.272 4.167 3.446 1.00 0.00 C ATOM 435 CG GLU A 29 3.078 4.996 3.004 1.00 0.00 C ATOM 436 CD GLU A 29 2.223 5.456 4.169 1.00 0.00 C ATOM 437 OE1 GLU A 29 2.267 4.800 5.231 1.00 0.00 O ATOM 438 OE2 GLU A 29 1.509 6.470 4.019 1.00 0.00 O ATOM 0 H GLU A 29 4.509 3.405 0.869 1.00 0.00 H new ATOM 0 HA GLU A 29 5.970 5.238 2.679 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.973 3.121 3.513 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.569 4.479 4.447 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.430 5.867 2.451 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.466 4.409 2.319 1.00 0.00 H new ATOM 445 N VAL A 30 6.098 1.937 2.457 1.00 0.00 N ATOM 446 CA VAL A 30 6.957 0.781 2.685 1.00 0.00 C ATOM 447 C VAL A 30 8.064 0.704 1.640 1.00 0.00 C ATOM 448 O VAL A 30 9.171 0.245 1.924 1.00 0.00 O ATOM 449 CB VAL A 30 6.151 -0.531 2.661 1.00 0.00 C ATOM 450 CG1 VAL A 30 7.023 -1.702 3.087 1.00 0.00 C ATOM 451 CG2 VAL A 30 4.923 -0.418 3.552 1.00 0.00 C ATOM 0 H VAL A 30 5.205 1.718 2.015 1.00 0.00 H new ATOM 0 HA VAL A 30 7.402 0.907 3.672 1.00 0.00 H new ATOM 0 HB VAL A 30 5.815 -0.712 1.640 1.00 0.00 H new ATOM 0 HG11 VAL A 30 6.436 -2.620 3.064 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.868 -1.794 2.404 1.00 0.00 H new ATOM 0 HG13 VAL A 30 7.391 -1.532 4.099 1.00 0.00 H new ATOM 0 HG21 VAL A 30 4.365 -1.354 3.523 1.00 0.00 H new ATOM 0 HG22 VAL A 30 5.234 -0.213 4.576 1.00 0.00 H new ATOM 0 HG23 VAL A 30 4.289 0.394 3.196 1.00 0.00 H new ATOM 461 N HIS A 31 7.758 1.158 0.428 1.00 0.00 N ATOM 462 CA HIS A 31 8.728 1.141 -0.661 1.00 0.00 C ATOM 463 C HIS A 31 9.137 2.560 -1.046 1.00 0.00 C ATOM 464 O HIS A 31 10.176 2.770 -1.670 1.00 0.00 O ATOM 465 CB HIS A 31 8.149 0.418 -1.877 1.00 0.00 C ATOM 466 CG HIS A 31 7.979 -1.056 -1.672 1.00 0.00 C ATOM 467 ND1 HIS A 31 8.949 -1.853 -1.102 1.00 0.00 N ATOM 468 CD2 HIS A 31 6.943 -1.877 -1.964 1.00 0.00 C ATOM 469 CE1 HIS A 31 8.517 -3.101 -1.053 1.00 0.00 C ATOM 470 NE2 HIS A 31 7.303 -3.142 -1.570 1.00 0.00 N ATOM 0 H HIS A 31 6.847 1.542 0.176 1.00 0.00 H new ATOM 0 HA HIS A 31 9.614 0.606 -0.317 1.00 0.00 H new ATOM 0 HB2 HIS A 31 7.182 0.856 -2.124 1.00 0.00 H new ATOM 0 HB3 HIS A 31 8.802 0.585 -2.734 1.00 0.00 H new ATOM 0 HD1 HIS A 31 9.858 -1.530 -0.770 1.00 0.00 H new ATOM 0 HD2 HIS A 31 6.008 -1.590 -2.422 1.00 0.00 H new ATOM 0 HE1 HIS A 31 9.064 -3.944 -0.657 1.00 0.00 H new ATOM 478 N GLY A 32 8.312 3.532 -0.668 1.00 0.00 N ATOM 479 CA GLY A 32 8.604 4.918 -0.983 1.00 0.00 C ATOM 480 C GLY A 32 9.023 5.108 -2.428 1.00 0.00 C ATOM 481 O GLY A 32 10.211 5.235 -2.725 1.00 0.00 O ATOM 0 H GLY A 32 7.446 3.384 -0.149 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.723 5.527 -0.780 1.00 0.00 H new ATOM 0 HA3 GLY A 32 9.397 5.277 -0.328 1.00 0.00 H new ATOM 485 N ALA A 33 8.046 5.127 -3.328 1.00 0.00 N ATOM 486 CA ALA A 33 8.319 5.303 -4.749 1.00 0.00 C ATOM 487 C ALA A 33 7.523 6.471 -5.320 1.00 0.00 C ATOM 488 O ALA A 33 6.299 6.519 -5.199 1.00 0.00 O ATOM 489 CB ALA A 33 8.004 4.024 -5.510 1.00 0.00 C ATOM 0 H ALA A 33 7.058 5.023 -3.098 1.00 0.00 H new ATOM 0 HA ALA A 33 9.379 5.529 -4.865 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.213 4.170 -6.570 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.622 3.211 -5.127 1.00 0.00 H new ATOM 0 HB3 ALA A 33 6.952 3.772 -5.379 1.00 0.00 H new ATOM 495 N ALA A 34 8.226 7.412 -5.943 1.00 0.00 N ATOM 496 CA ALA A 34 7.583 8.579 -6.534 1.00 0.00 C ATOM 497 C ALA A 34 8.066 8.807 -7.963 1.00 0.00 C ATOM 498 O ALA A 34 9.184 9.272 -8.183 1.00 0.00 O ATOM 499 CB ALA A 34 7.846 9.813 -5.684 1.00 0.00 C ATOM 0 H ALA A 34 9.240 7.389 -6.051 1.00 0.00 H new ATOM 0 HA ALA A 34 6.509 8.394 -6.566 1.00 0.00 H new ATOM 0 HB1 ALA A 34 7.360 10.677 -6.137 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.447 9.656 -4.682 1.00 0.00 H new ATOM 0 HB3 ALA A 34 8.920 9.991 -5.623 1.00 0.00 H new ATOM 505 N GLN A 35 7.216 8.474 -8.929 1.00 0.00 N ATOM 506 CA GLN A 35 7.558 8.641 -10.337 1.00 0.00 C ATOM 507 C GLN A 35 8.058 10.056 -10.612 1.00 0.00 C ATOM 508 O GLN A 35 7.947 10.914 -9.737 1.00 0.00 O ATOM 509 CB GLN A 35 6.345 8.336 -11.218 1.00 0.00 C ATOM 510 CG GLN A 35 6.662 8.319 -12.704 1.00 0.00 C ATOM 511 CD GLN A 35 5.513 7.790 -13.540 1.00 0.00 C ATOM 512 OE1 GLN A 35 4.346 8.049 -13.245 1.00 0.00 O ATOM 513 NE2 GLN A 35 5.838 7.044 -14.589 1.00 0.00 N ATOM 0 H GLN A 35 6.287 8.088 -8.763 1.00 0.00 H new ATOM 0 HA GLN A 35 8.358 7.940 -10.576 1.00 0.00 H new ATOM 0 HB2 GLN A 35 5.933 7.368 -10.932 1.00 0.00 H new ATOM 0 HB3 GLN A 35 5.572 9.081 -11.028 1.00 0.00 H new ATOM 0 HG2 GLN A 35 6.909 9.329 -13.031 1.00 0.00 H new ATOM 0 HG3 GLN A 35 7.545 7.704 -12.876 1.00 0.00 H new ATOM 0 HE21 GLN A 35 6.819 6.855 -14.796 1.00 0.00 H new ATOM 0 HE22 GLN A 35 5.107 6.660 -15.188 1.00 0.00 H new TER 522 GLN A 35 HETATM 523 ZN ZN A 181 5.338 -3.809 -1.244 1.00 0.00 ZN