USER MOD reduce.3.24.130724 H: found=0, std=0, add=306, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 304 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 29 HIS HE2 : A 29 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 33 HIS HE2 : A 33 HIS NE2 : A 201 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 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -179:sc= -0.0838 (180deg=-0.0864) USER MOD Single : A 24 SER OG : rot 180:sc= -0.25 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl 163:sc= -0.0937 (180deg=-0.333) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -160:sc= -0.0511 (180deg=-0.384) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 48:sc= 0.564 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.321 12.894 1.543 1.00 0.00 N ATOM 2 CA GLY A 1 -13.532 13.953 2.146 1.00 0.00 C ATOM 3 C GLY A 1 -12.435 14.453 1.228 1.00 0.00 C ATOM 4 O GLY A 1 -11.252 14.223 1.479 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.057 12.587 2.210 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.768 13.247 0.673 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.704 12.089 1.314 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.186 14.783 2.411 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.088 13.589 3.073 1.00 0.00 H new ATOM 8 N SER A 2 -12.827 15.139 0.159 1.00 0.00 N ATOM 9 CA SER A 2 -11.868 15.668 -0.804 1.00 0.00 C ATOM 10 C SER A 2 -12.046 17.174 -0.976 1.00 0.00 C ATOM 11 O SER A 2 -12.799 17.626 -1.839 1.00 0.00 O ATOM 12 CB SER A 2 -12.028 14.967 -2.154 1.00 0.00 C ATOM 13 OG SER A 2 -11.211 13.812 -2.229 1.00 0.00 O ATOM 0 H SER A 2 -13.802 15.341 -0.062 1.00 0.00 H new ATOM 0 HA SER A 2 -10.865 15.479 -0.422 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.071 14.688 -2.301 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.765 15.655 -2.958 1.00 0.00 H new ATOM 0 HG SER A 2 -11.333 13.381 -3.101 1.00 0.00 H new ATOM 19 N SER A 3 -11.348 17.944 -0.148 1.00 0.00 N ATOM 20 CA SER A 3 -11.431 19.399 -0.205 1.00 0.00 C ATOM 21 C SER A 3 -10.472 19.957 -1.252 1.00 0.00 C ATOM 22 O SER A 3 -10.823 20.856 -2.015 1.00 0.00 O ATOM 23 CB SER A 3 -11.117 20.003 1.165 1.00 0.00 C ATOM 24 OG SER A 3 -9.849 19.574 1.632 1.00 0.00 O ATOM 0 H SER A 3 -10.719 17.585 0.570 1.00 0.00 H new ATOM 0 HA SER A 3 -12.448 19.670 -0.489 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.135 21.091 1.099 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.888 19.714 1.879 1.00 0.00 H new ATOM 0 HG SER A 3 -9.670 19.975 2.508 1.00 0.00 H new ATOM 30 N GLY A 4 -9.258 19.417 -1.281 1.00 0.00 N ATOM 31 CA GLY A 4 -8.266 19.873 -2.237 1.00 0.00 C ATOM 32 C GLY A 4 -8.226 19.013 -3.485 1.00 0.00 C ATOM 33 O GLY A 4 -8.719 17.885 -3.487 1.00 0.00 O ATOM 0 H GLY A 4 -8.943 18.672 -0.660 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.482 20.904 -2.517 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.283 19.870 -1.766 1.00 0.00 H new ATOM 37 N SER A 5 -7.638 19.548 -4.551 1.00 0.00 N ATOM 38 CA SER A 5 -7.541 18.824 -5.813 1.00 0.00 C ATOM 39 C SER A 5 -6.123 18.306 -6.034 1.00 0.00 C ATOM 40 O SER A 5 -5.584 18.391 -7.138 1.00 0.00 O ATOM 41 CB SER A 5 -7.953 19.728 -6.977 1.00 0.00 C ATOM 42 OG SER A 5 -7.132 20.882 -7.041 1.00 0.00 O ATOM 0 H SER A 5 -7.222 20.479 -4.566 1.00 0.00 H new ATOM 0 HA SER A 5 -8.218 17.971 -5.767 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.883 19.175 -7.914 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.995 20.025 -6.860 1.00 0.00 H new ATOM 0 HG SER A 5 -7.414 21.443 -7.794 1.00 0.00 H new ATOM 48 N SER A 6 -5.525 17.769 -4.976 1.00 0.00 N ATOM 49 CA SER A 6 -4.168 17.239 -5.052 1.00 0.00 C ATOM 50 C SER A 6 -3.882 16.307 -3.878 1.00 0.00 C ATOM 51 O SER A 6 -4.513 16.403 -2.826 1.00 0.00 O ATOM 52 CB SER A 6 -3.152 18.383 -5.068 1.00 0.00 C ATOM 53 OG SER A 6 -1.892 17.939 -5.539 1.00 0.00 O ATOM 0 H SER A 6 -5.958 17.689 -4.056 1.00 0.00 H new ATOM 0 HA SER A 6 -4.078 16.669 -5.977 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.518 19.190 -5.704 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.045 18.792 -4.064 1.00 0.00 H new ATOM 0 HG SER A 6 -1.261 18.689 -5.541 1.00 0.00 H new ATOM 59 N GLY A 7 -2.926 15.402 -4.068 1.00 0.00 N ATOM 60 CA GLY A 7 -2.573 14.465 -3.019 1.00 0.00 C ATOM 61 C GLY A 7 -1.110 14.070 -3.062 1.00 0.00 C ATOM 62 O GLY A 7 -0.406 14.372 -4.026 1.00 0.00 O ATOM 0 H GLY A 7 -2.390 15.302 -4.930 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.798 14.909 -2.049 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.190 13.571 -3.112 1.00 0.00 H new ATOM 66 N VAL A 8 -0.650 13.395 -2.013 1.00 0.00 N ATOM 67 CA VAL A 8 0.740 12.960 -1.935 1.00 0.00 C ATOM 68 C VAL A 8 0.875 11.486 -2.302 1.00 0.00 C ATOM 69 O VAL A 8 1.838 10.824 -1.915 1.00 0.00 O ATOM 70 CB VAL A 8 1.318 13.181 -0.525 1.00 0.00 C ATOM 71 CG1 VAL A 8 1.179 14.638 -0.113 1.00 0.00 C ATOM 72 CG2 VAL A 8 0.635 12.266 0.481 1.00 0.00 C ATOM 0 H VAL A 8 -1.219 13.138 -1.206 1.00 0.00 H new ATOM 0 HA VAL A 8 1.302 13.563 -2.649 1.00 0.00 H new ATOM 0 HB VAL A 8 2.379 12.934 -0.544 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.593 14.775 0.886 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.719 15.269 -0.819 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.125 14.916 -0.110 1.00 0.00 H new ATOM 0 HG21 VAL A 8 1.056 12.436 1.472 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.434 12.479 0.500 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.793 11.227 0.193 1.00 0.00 H new ATOM 82 N LYS A 9 -0.096 10.978 -3.053 1.00 0.00 N ATOM 83 CA LYS A 9 -0.086 9.583 -3.476 1.00 0.00 C ATOM 84 C LYS A 9 -0.422 9.461 -4.959 1.00 0.00 C ATOM 85 O LYS A 9 -1.552 9.155 -5.341 1.00 0.00 O ATOM 86 CB LYS A 9 -1.084 8.770 -2.648 1.00 0.00 C ATOM 87 CG LYS A 9 -2.426 9.459 -2.465 1.00 0.00 C ATOM 88 CD LYS A 9 -2.423 10.371 -1.251 1.00 0.00 C ATOM 89 CE LYS A 9 -3.664 11.250 -1.211 1.00 0.00 C ATOM 90 NZ LYS A 9 -3.672 12.145 -0.021 1.00 0.00 N ATOM 0 H LYS A 9 -0.901 11.512 -3.381 1.00 0.00 H new ATOM 0 HA LYS A 9 0.917 9.188 -3.315 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.243 7.806 -3.130 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.652 8.569 -1.668 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -2.663 10.039 -3.357 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -3.209 8.709 -2.356 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.372 9.770 -0.343 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.532 10.998 -1.268 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -3.712 11.852 -2.118 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -4.554 10.621 -1.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.534 12.727 -0.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -3.652 11.570 0.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -2.836 12.763 -0.046 1.00 0.00 H new ATOM 104 N PRO A 10 0.581 9.704 -5.816 1.00 0.00 N ATOM 105 CA PRO A 10 0.416 9.626 -7.270 1.00 0.00 C ATOM 106 C PRO A 10 0.219 8.194 -7.755 1.00 0.00 C ATOM 107 O PRO A 10 -0.361 7.962 -8.816 1.00 0.00 O ATOM 108 CB PRO A 10 1.731 10.197 -7.807 1.00 0.00 C ATOM 109 CG PRO A 10 2.720 9.959 -6.719 1.00 0.00 C ATOM 110 CD PRO A 10 1.953 10.074 -5.430 1.00 0.00 C ATOM 0 HA PRO A 10 -0.469 10.165 -7.610 1.00 0.00 H new ATOM 0 HB2 PRO A 10 2.031 9.700 -8.730 1.00 0.00 H new ATOM 0 HB3 PRO A 10 1.638 11.259 -8.032 1.00 0.00 H new ATOM 0 HG2 PRO A 10 3.176 8.974 -6.815 1.00 0.00 H new ATOM 0 HG3 PRO A 10 3.528 10.690 -6.759 1.00 0.00 H new ATOM 0 HD2 PRO A 10 2.349 9.406 -4.665 1.00 0.00 H new ATOM 0 HD3 PRO A 10 1.998 11.085 -5.024 1.00 0.00 H new ATOM 118 N TYR A 11 0.705 7.237 -6.972 1.00 0.00 N ATOM 119 CA TYR A 11 0.584 5.827 -7.323 1.00 0.00 C ATOM 120 C TYR A 11 -0.256 5.080 -6.292 1.00 0.00 C ATOM 121 O TYR A 11 0.228 4.726 -5.218 1.00 0.00 O ATOM 122 CB TYR A 11 1.968 5.186 -7.431 1.00 0.00 C ATOM 123 CG TYR A 11 2.982 6.052 -8.144 1.00 0.00 C ATOM 124 CD1 TYR A 11 2.998 6.139 -9.531 1.00 0.00 C ATOM 125 CD2 TYR A 11 3.926 6.781 -7.431 1.00 0.00 C ATOM 126 CE1 TYR A 11 3.923 6.928 -10.187 1.00 0.00 C ATOM 127 CE2 TYR A 11 4.854 7.574 -8.079 1.00 0.00 C ATOM 128 CZ TYR A 11 4.848 7.644 -9.456 1.00 0.00 C ATOM 129 OH TYR A 11 5.772 8.431 -10.105 1.00 0.00 O ATOM 0 H TYR A 11 1.186 7.412 -6.090 1.00 0.00 H new ATOM 0 HA TYR A 11 0.084 5.761 -8.289 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.335 4.962 -6.429 1.00 0.00 H new ATOM 0 HB3 TYR A 11 1.879 4.236 -7.958 1.00 0.00 H new ATOM 0 HD1 TYR A 11 2.275 5.580 -10.106 1.00 0.00 H new ATOM 0 HD2 TYR A 11 3.935 6.727 -6.352 1.00 0.00 H new ATOM 0 HE1 TYR A 11 3.922 6.984 -11.266 1.00 0.00 H new ATOM 0 HE2 TYR A 11 5.580 8.136 -7.510 1.00 0.00 H new ATOM 0 HH TYR A 11 6.350 8.869 -9.445 1.00 0.00 H new ATOM 139 N GLY A 12 -1.521 4.841 -6.629 1.00 0.00 N ATOM 140 CA GLY A 12 -2.409 4.137 -5.723 1.00 0.00 C ATOM 141 C GLY A 12 -3.151 3.004 -6.404 1.00 0.00 C ATOM 142 O GLY A 12 -3.852 3.217 -7.394 1.00 0.00 O ATOM 0 H GLY A 12 -1.945 5.123 -7.513 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -1.831 3.739 -4.889 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -3.130 4.840 -5.305 1.00 0.00 H new ATOM 146 N CYS A 13 -2.997 1.795 -5.874 1.00 0.00 N ATOM 147 CA CYS A 13 -3.655 0.623 -6.437 1.00 0.00 C ATOM 148 C CYS A 13 -5.171 0.728 -6.292 1.00 0.00 C ATOM 149 O CYS A 13 -5.673 1.379 -5.376 1.00 0.00 O ATOM 150 CB CYS A 13 -3.153 -0.649 -5.752 1.00 0.00 C ATOM 151 SG CYS A 13 -3.759 -2.191 -6.509 1.00 0.00 S ATOM 0 H CYS A 13 -2.421 1.602 -5.054 1.00 0.00 H new ATOM 0 HA CYS A 13 -3.411 0.576 -7.498 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -2.063 -0.652 -5.770 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -3.455 -0.628 -4.705 1.00 0.00 H new ATOM 156 N SER A 14 -5.893 0.082 -7.202 1.00 0.00 N ATOM 157 CA SER A 14 -7.351 0.105 -7.177 1.00 0.00 C ATOM 158 C SER A 14 -7.913 -1.291 -6.924 1.00 0.00 C ATOM 159 O SER A 14 -8.921 -1.450 -6.237 1.00 0.00 O ATOM 160 CB SER A 14 -7.896 0.655 -8.497 1.00 0.00 C ATOM 161 OG SER A 14 -9.282 0.932 -8.400 1.00 0.00 O ATOM 0 H SER A 14 -5.493 -0.463 -7.965 1.00 0.00 H new ATOM 0 HA SER A 14 -7.665 0.757 -6.362 1.00 0.00 H new ATOM 0 HB2 SER A 14 -7.358 1.564 -8.766 1.00 0.00 H new ATOM 0 HB3 SER A 14 -7.721 -0.066 -9.295 1.00 0.00 H new ATOM 0 HG SER A 14 -9.606 1.284 -9.255 1.00 0.00 H new ATOM 167 N GLU A 15 -7.251 -2.298 -7.485 1.00 0.00 N ATOM 168 CA GLU A 15 -7.685 -3.681 -7.322 1.00 0.00 C ATOM 169 C GLU A 15 -8.034 -3.973 -5.865 1.00 0.00 C ATOM 170 O GLU A 15 -9.063 -4.583 -5.572 1.00 0.00 O ATOM 171 CB GLU A 15 -6.592 -4.641 -7.798 1.00 0.00 C ATOM 172 CG GLU A 15 -6.333 -4.574 -9.294 1.00 0.00 C ATOM 173 CD GLU A 15 -5.855 -5.895 -9.862 1.00 0.00 C ATOM 174 OE1 GLU A 15 -6.706 -6.763 -10.146 1.00 0.00 O ATOM 175 OE2 GLU A 15 -4.627 -6.061 -10.024 1.00 0.00 O ATOM 0 H GLU A 15 -6.413 -2.183 -8.056 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.578 -3.829 -7.929 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.667 -4.417 -7.267 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -6.874 -5.660 -7.532 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.248 -4.273 -9.804 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.588 -3.805 -9.496 1.00 0.00 H new ATOM 182 N CYS A 16 -7.170 -3.533 -4.956 1.00 0.00 N ATOM 183 CA CYS A 16 -7.385 -3.747 -3.530 1.00 0.00 C ATOM 184 C CYS A 16 -7.589 -2.420 -2.806 1.00 0.00 C ATOM 185 O CYS A 16 -8.473 -2.292 -1.960 1.00 0.00 O ATOM 186 CB CYS A 16 -6.197 -4.495 -2.921 1.00 0.00 C ATOM 187 SG CYS A 16 -4.632 -3.566 -2.964 1.00 0.00 S ATOM 0 H CYS A 16 -6.314 -3.026 -5.182 1.00 0.00 H new ATOM 0 HA CYS A 16 -8.286 -4.349 -3.410 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -6.431 -4.744 -1.886 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -6.063 -5.437 -3.453 1.00 0.00 H new ATOM 192 N GLY A 17 -6.765 -1.433 -3.145 1.00 0.00 N ATOM 193 CA GLY A 17 -6.871 -0.129 -2.518 1.00 0.00 C ATOM 194 C GLY A 17 -5.687 0.184 -1.625 1.00 0.00 C ATOM 195 O GLY A 17 -5.785 0.107 -0.401 1.00 0.00 O ATOM 0 H GLY A 17 -6.026 -1.514 -3.843 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.952 0.636 -3.290 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -7.787 -0.086 -1.929 1.00 0.00 H new ATOM 199 N LYS A 18 -4.562 0.536 -2.239 1.00 0.00 N ATOM 200 CA LYS A 18 -3.352 0.861 -1.493 1.00 0.00 C ATOM 201 C LYS A 18 -2.663 2.089 -2.081 1.00 0.00 C ATOM 202 O LYS A 18 -3.153 2.687 -3.039 1.00 0.00 O ATOM 203 CB LYS A 18 -2.390 -0.328 -1.498 1.00 0.00 C ATOM 204 CG LYS A 18 -2.889 -1.518 -0.696 1.00 0.00 C ATOM 205 CD LYS A 18 -1.879 -2.653 -0.695 1.00 0.00 C ATOM 206 CE LYS A 18 -2.248 -3.727 0.317 1.00 0.00 C ATOM 207 NZ LYS A 18 -1.190 -4.768 0.431 1.00 0.00 N ATOM 0 H LYS A 18 -4.463 0.603 -3.252 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.638 1.084 -0.465 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.218 -0.641 -2.528 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.428 -0.008 -1.097 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -3.090 -1.208 0.329 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.832 -1.870 -1.114 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.824 -3.093 -1.691 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.889 -2.260 -0.465 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.411 -3.267 1.292 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.188 -4.195 0.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.479 -5.482 1.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -1.051 -5.225 -0.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.299 -4.326 0.736 1.00 0.00 H new ATOM 221 N ALA A 19 -1.525 2.457 -1.503 1.00 0.00 N ATOM 222 CA ALA A 19 -0.767 3.610 -1.973 1.00 0.00 C ATOM 223 C ALA A 19 0.726 3.305 -2.017 1.00 0.00 C ATOM 224 O ALA A 19 1.187 2.323 -1.435 1.00 0.00 O ATOM 225 CB ALA A 19 -1.036 4.815 -1.084 1.00 0.00 C ATOM 0 H ALA A 19 -1.107 1.973 -0.708 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.093 3.840 -2.987 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.464 5.669 -1.446 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.099 5.054 -1.107 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.738 4.586 -0.061 1.00 0.00 H new ATOM 231 N PHE A 20 1.478 4.152 -2.712 1.00 0.00 N ATOM 232 CA PHE A 20 2.920 3.972 -2.834 1.00 0.00 C ATOM 233 C PHE A 20 3.617 5.309 -3.069 1.00 0.00 C ATOM 234 O PHE A 20 3.280 6.042 -3.999 1.00 0.00 O ATOM 235 CB PHE A 20 3.240 3.008 -3.978 1.00 0.00 C ATOM 236 CG PHE A 20 2.374 1.781 -3.989 1.00 0.00 C ATOM 237 CD1 PHE A 20 2.713 0.672 -3.231 1.00 0.00 C ATOM 238 CD2 PHE A 20 1.222 1.737 -4.756 1.00 0.00 C ATOM 239 CE1 PHE A 20 1.918 -0.459 -3.239 1.00 0.00 C ATOM 240 CE2 PHE A 20 0.423 0.609 -4.769 1.00 0.00 C ATOM 241 CZ PHE A 20 0.771 -0.490 -4.008 1.00 0.00 C ATOM 0 H PHE A 20 1.113 4.970 -3.199 1.00 0.00 H new ATOM 0 HA PHE A 20 3.289 3.550 -1.899 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.125 3.532 -4.927 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.285 2.705 -3.905 1.00 0.00 H new ATOM 0 HD1 PHE A 20 3.608 0.691 -2.627 1.00 0.00 H new ATOM 0 HD2 PHE A 20 0.944 2.594 -5.351 1.00 0.00 H new ATOM 0 HE1 PHE A 20 2.194 -1.318 -2.645 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.472 0.587 -5.373 1.00 0.00 H new ATOM 0 HZ PHE A 20 0.147 -1.372 -4.014 1.00 0.00 H new ATOM 251 N ARG A 21 4.591 5.619 -2.220 1.00 0.00 N ATOM 252 CA ARG A 21 5.335 6.867 -2.333 1.00 0.00 C ATOM 253 C ARG A 21 6.114 6.919 -3.644 1.00 0.00 C ATOM 254 O ARG A 21 6.394 7.996 -4.170 1.00 0.00 O ATOM 255 CB ARG A 21 6.293 7.024 -1.151 1.00 0.00 C ATOM 256 CG ARG A 21 7.215 8.227 -1.270 1.00 0.00 C ATOM 257 CD ARG A 21 6.502 9.515 -0.887 1.00 0.00 C ATOM 258 NE ARG A 21 7.407 10.661 -0.880 1.00 0.00 N ATOM 259 CZ ARG A 21 7.075 11.857 -0.407 1.00 0.00 C ATOM 260 NH1 ARG A 21 5.866 12.062 0.096 1.00 0.00 N ATOM 261 NH2 ARG A 21 7.955 12.850 -0.435 1.00 0.00 N ATOM 0 H ARG A 21 4.883 5.023 -1.446 1.00 0.00 H new ATOM 0 HA ARG A 21 4.619 7.689 -2.323 1.00 0.00 H new ATOM 0 HB2 ARG A 21 5.712 7.111 -0.233 1.00 0.00 H new ATOM 0 HB3 ARG A 21 6.897 6.121 -1.061 1.00 0.00 H new ATOM 0 HG2 ARG A 21 8.084 8.086 -0.627 1.00 0.00 H new ATOM 0 HG3 ARG A 21 7.584 8.304 -2.293 1.00 0.00 H new ATOM 0 HD2 ARG A 21 5.688 9.701 -1.588 1.00 0.00 H new ATOM 0 HD3 ARG A 21 6.054 9.401 0.100 1.00 0.00 H new ATOM 0 HE ARG A 21 8.346 10.536 -1.259 1.00 0.00 H new ATOM 0 HH11 ARG A 21 5.188 11.300 0.121 1.00 0.00 H new ATOM 0 HH12 ARG A 21 5.614 12.981 0.459 1.00 0.00 H new ATOM 0 HH21 ARG A 21 8.887 12.695 -0.820 1.00 0.00 H new ATOM 0 HH22 ARG A 21 7.700 13.768 -0.072 1.00 0.00 H new ATOM 275 N SER A 22 6.462 5.747 -4.166 1.00 0.00 N ATOM 276 CA SER A 22 7.213 5.658 -5.413 1.00 0.00 C ATOM 277 C SER A 22 6.697 4.511 -6.277 1.00 0.00 C ATOM 278 O SER A 22 5.752 3.815 -5.906 1.00 0.00 O ATOM 279 CB SER A 22 8.703 5.463 -5.123 1.00 0.00 C ATOM 280 OG SER A 22 9.217 6.535 -4.352 1.00 0.00 O ATOM 0 H SER A 22 6.236 4.846 -3.745 1.00 0.00 H new ATOM 0 HA SER A 22 7.076 6.591 -5.959 1.00 0.00 H new ATOM 0 HB2 SER A 22 8.853 4.524 -4.591 1.00 0.00 H new ATOM 0 HB3 SER A 22 9.253 5.389 -6.061 1.00 0.00 H new ATOM 0 HG SER A 22 10.170 6.386 -4.179 1.00 0.00 H new ATOM 286 N LYS A 23 7.325 4.321 -7.432 1.00 0.00 N ATOM 287 CA LYS A 23 6.933 3.259 -8.351 1.00 0.00 C ATOM 288 C LYS A 23 7.300 1.889 -7.788 1.00 0.00 C ATOM 289 O LYS A 23 6.426 1.082 -7.473 1.00 0.00 O ATOM 290 CB LYS A 23 7.604 3.459 -9.712 1.00 0.00 C ATOM 291 CG LYS A 23 6.794 4.317 -10.668 1.00 0.00 C ATOM 292 CD LYS A 23 5.848 3.475 -11.508 1.00 0.00 C ATOM 293 CE LYS A 23 4.495 3.314 -10.832 1.00 0.00 C ATOM 294 NZ LYS A 23 3.425 2.967 -11.807 1.00 0.00 N ATOM 0 H LYS A 23 8.108 4.889 -7.754 1.00 0.00 H new ATOM 0 HA LYS A 23 5.851 3.303 -8.477 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.581 3.919 -9.562 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.777 2.485 -10.169 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.223 5.053 -10.103 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.468 4.870 -11.322 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.715 3.940 -12.485 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.289 2.493 -11.680 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.559 2.536 -10.072 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.233 4.240 -10.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 2.516 2.883 -11.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.357 3.713 -12.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 3.654 2.062 -12.266 1.00 0.00 H new ATOM 308 N SER A 24 8.599 1.635 -7.664 1.00 0.00 N ATOM 309 CA SER A 24 9.082 0.362 -7.141 1.00 0.00 C ATOM 310 C SER A 24 8.141 -0.176 -6.067 1.00 0.00 C ATOM 311 O SER A 24 7.681 -1.315 -6.143 1.00 0.00 O ATOM 312 CB SER A 24 10.490 0.523 -6.567 1.00 0.00 C ATOM 313 OG SER A 24 10.490 1.402 -5.455 1.00 0.00 O ATOM 0 H SER A 24 9.335 2.293 -7.918 1.00 0.00 H new ATOM 0 HA SER A 24 9.113 -0.352 -7.964 1.00 0.00 H new ATOM 0 HB2 SER A 24 10.877 -0.450 -6.265 1.00 0.00 H new ATOM 0 HB3 SER A 24 11.159 0.906 -7.338 1.00 0.00 H new ATOM 0 HG SER A 24 11.401 1.487 -5.105 1.00 0.00 H new ATOM 319 N TYR A 25 7.860 0.652 -5.067 1.00 0.00 N ATOM 320 CA TYR A 25 6.977 0.260 -3.975 1.00 0.00 C ATOM 321 C TYR A 25 5.707 -0.394 -4.510 1.00 0.00 C ATOM 322 O TYR A 25 5.261 -1.422 -3.999 1.00 0.00 O ATOM 323 CB TYR A 25 6.617 1.477 -3.121 1.00 0.00 C ATOM 324 CG TYR A 25 7.660 1.817 -2.081 1.00 0.00 C ATOM 325 CD1 TYR A 25 7.977 0.921 -1.067 1.00 0.00 C ATOM 326 CD2 TYR A 25 8.328 3.035 -2.111 1.00 0.00 C ATOM 327 CE1 TYR A 25 8.929 1.227 -0.115 1.00 0.00 C ATOM 328 CE2 TYR A 25 9.283 3.349 -1.163 1.00 0.00 C ATOM 329 CZ TYR A 25 9.580 2.443 -0.167 1.00 0.00 C ATOM 330 OH TYR A 25 10.529 2.753 0.780 1.00 0.00 O ATOM 0 H TYR A 25 8.231 1.599 -4.990 1.00 0.00 H new ATOM 0 HA TYR A 25 7.505 -0.466 -3.357 1.00 0.00 H new ATOM 0 HB2 TYR A 25 6.472 2.338 -3.773 1.00 0.00 H new ATOM 0 HB3 TYR A 25 5.666 1.292 -2.622 1.00 0.00 H new ATOM 0 HD1 TYR A 25 7.470 -0.031 -1.023 1.00 0.00 H new ATOM 0 HD2 TYR A 25 8.097 3.748 -2.888 1.00 0.00 H new ATOM 0 HE1 TYR A 25 9.163 0.519 0.666 1.00 0.00 H new ATOM 0 HE2 TYR A 25 9.794 4.299 -1.202 1.00 0.00 H new ATOM 0 HH TYR A 25 10.892 3.645 0.599 1.00 0.00 H new ATOM 340 N LEU A 26 5.129 0.209 -5.543 1.00 0.00 N ATOM 341 CA LEU A 26 3.909 -0.313 -6.150 1.00 0.00 C ATOM 342 C LEU A 26 4.144 -1.703 -6.732 1.00 0.00 C ATOM 343 O LEU A 26 3.440 -2.655 -6.395 1.00 0.00 O ATOM 344 CB LEU A 26 3.414 0.634 -7.244 1.00 0.00 C ATOM 345 CG LEU A 26 2.327 0.083 -8.167 1.00 0.00 C ATOM 346 CD1 LEU A 26 1.094 -0.307 -7.367 1.00 0.00 C ATOM 347 CD2 LEU A 26 1.969 1.103 -9.238 1.00 0.00 C ATOM 0 H LEU A 26 5.485 1.060 -5.978 1.00 0.00 H new ATOM 0 HA LEU A 26 3.148 -0.388 -5.373 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.035 1.539 -6.769 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.267 0.928 -7.855 1.00 0.00 H new ATOM 0 HG LEU A 26 2.713 -0.810 -8.658 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.331 -0.697 -8.041 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.360 -1.073 -6.638 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.705 0.569 -6.847 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.194 0.694 -9.886 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.603 2.014 -8.765 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.854 1.333 -9.832 1.00 0.00 H new ATOM 359 N ILE A 27 5.138 -1.813 -7.607 1.00 0.00 N ATOM 360 CA ILE A 27 5.467 -3.087 -8.233 1.00 0.00 C ATOM 361 C ILE A 27 5.555 -4.202 -7.198 1.00 0.00 C ATOM 362 O ILE A 27 4.903 -5.239 -7.330 1.00 0.00 O ATOM 363 CB ILE A 27 6.800 -3.009 -9.001 1.00 0.00 C ATOM 364 CG1 ILE A 27 6.680 -2.037 -10.177 1.00 0.00 C ATOM 365 CG2 ILE A 27 7.212 -4.390 -9.489 1.00 0.00 C ATOM 366 CD1 ILE A 27 7.031 -0.609 -9.818 1.00 0.00 C ATOM 0 H ILE A 27 5.729 -1.035 -7.898 1.00 0.00 H new ATOM 0 HA ILE A 27 4.664 -3.310 -8.936 1.00 0.00 H new ATOM 0 HB ILE A 27 7.571 -2.639 -8.325 1.00 0.00 H new ATOM 0 HG12 ILE A 27 7.333 -2.372 -10.983 1.00 0.00 H new ATOM 0 HG13 ILE A 27 5.660 -2.067 -10.560 1.00 0.00 H new ATOM 0 HG21 ILE A 27 8.156 -4.318 -10.030 1.00 0.00 H new ATOM 0 HG22 ILE A 27 7.333 -5.057 -8.635 1.00 0.00 H new ATOM 0 HG23 ILE A 27 6.443 -4.786 -10.152 1.00 0.00 H new ATOM 0 HD11 ILE A 27 6.924 0.024 -10.699 1.00 0.00 H new ATOM 0 HD12 ILE A 27 6.362 -0.256 -9.034 1.00 0.00 H new ATOM 0 HD13 ILE A 27 8.061 -0.566 -9.463 1.00 0.00 H new ATOM 378 N ILE A 28 6.362 -3.982 -6.166 1.00 0.00 N ATOM 379 CA ILE A 28 6.532 -4.968 -5.106 1.00 0.00 C ATOM 380 C ILE A 28 5.186 -5.508 -4.636 1.00 0.00 C ATOM 381 O ILE A 28 5.109 -6.585 -4.043 1.00 0.00 O ATOM 382 CB ILE A 28 7.283 -4.373 -3.899 1.00 0.00 C ATOM 383 CG1 ILE A 28 8.727 -4.044 -4.281 1.00 0.00 C ATOM 384 CG2 ILE A 28 7.247 -5.339 -2.724 1.00 0.00 C ATOM 385 CD1 ILE A 28 9.370 -3.011 -3.382 1.00 0.00 C ATOM 0 H ILE A 28 6.908 -3.130 -6.041 1.00 0.00 H new ATOM 0 HA ILE A 28 7.122 -5.783 -5.525 1.00 0.00 H new ATOM 0 HB ILE A 28 6.787 -3.450 -3.600 1.00 0.00 H new ATOM 0 HG12 ILE A 28 9.319 -4.959 -4.252 1.00 0.00 H new ATOM 0 HG13 ILE A 28 8.749 -3.683 -5.309 1.00 0.00 H new ATOM 0 HG21 ILE A 28 7.782 -4.905 -1.879 1.00 0.00 H new ATOM 0 HG22 ILE A 28 6.212 -5.528 -2.440 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.722 -6.278 -3.010 1.00 0.00 H new ATOM 0 HD11 ILE A 28 10.392 -2.827 -3.712 1.00 0.00 H new ATOM 0 HD12 ILE A 28 8.801 -2.082 -3.430 1.00 0.00 H new ATOM 0 HD13 ILE A 28 9.380 -3.378 -2.356 1.00 0.00 H new ATOM 397 N HIS A 29 4.125 -4.755 -4.907 1.00 0.00 N ATOM 398 CA HIS A 29 2.779 -5.159 -4.515 1.00 0.00 C ATOM 399 C HIS A 29 2.012 -5.722 -5.707 1.00 0.00 C ATOM 400 O HIS A 29 1.402 -6.787 -5.618 1.00 0.00 O ATOM 401 CB HIS A 29 2.021 -3.973 -3.919 1.00 0.00 C ATOM 402 CG HIS A 29 0.533 -4.139 -3.947 1.00 0.00 C ATOM 403 ND1 HIS A 29 -0.148 -4.976 -3.089 1.00 0.00 N ATOM 404 CD2 HIS A 29 -0.407 -3.567 -4.736 1.00 0.00 C ATOM 405 CE1 HIS A 29 -1.441 -4.914 -3.349 1.00 0.00 C ATOM 406 NE2 HIS A 29 -1.626 -4.066 -4.344 1.00 0.00 N ATOM 0 H HIS A 29 4.171 -3.861 -5.397 1.00 0.00 H new ATOM 0 HA HIS A 29 2.866 -5.941 -3.760 1.00 0.00 H new ATOM 0 HB2 HIS A 29 2.343 -3.828 -2.888 1.00 0.00 H new ATOM 0 HB3 HIS A 29 2.288 -3.069 -4.467 1.00 0.00 H new ATOM 0 HD1 HIS A 29 0.280 -5.554 -2.366 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -0.232 -2.852 -5.526 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -2.216 -5.464 -2.835 1.00 0.00 H new ATOM 414 N MET A 30 2.047 -4.999 -6.822 1.00 0.00 N ATOM 415 CA MET A 30 1.354 -5.428 -8.032 1.00 0.00 C ATOM 416 C MET A 30 1.612 -6.905 -8.312 1.00 0.00 C ATOM 417 O MET A 30 0.735 -7.615 -8.805 1.00 0.00 O ATOM 418 CB MET A 30 1.803 -4.585 -9.227 1.00 0.00 C ATOM 419 CG MET A 30 0.961 -3.337 -9.441 1.00 0.00 C ATOM 420 SD MET A 30 -0.456 -3.632 -10.517 1.00 0.00 S ATOM 421 CE MET A 30 -1.789 -3.661 -9.321 1.00 0.00 C ATOM 0 H MET A 30 2.547 -4.115 -6.913 1.00 0.00 H new ATOM 0 HA MET A 30 0.284 -5.287 -7.878 1.00 0.00 H new ATOM 0 HB2 MET A 30 2.843 -4.292 -9.084 1.00 0.00 H new ATOM 0 HB3 MET A 30 1.766 -5.198 -10.128 1.00 0.00 H new ATOM 0 HG2 MET A 30 0.610 -2.970 -8.476 1.00 0.00 H new ATOM 0 HG3 MET A 30 1.583 -2.553 -9.873 1.00 0.00 H new ATOM 0 HE1 MET A 30 -2.742 -3.531 -9.835 1.00 0.00 H new ATOM 0 HE2 MET A 30 -1.787 -4.617 -8.797 1.00 0.00 H new ATOM 0 HE3 MET A 30 -1.651 -2.853 -8.603 1.00 0.00 H new ATOM 431 N ARG A 31 2.819 -7.361 -7.994 1.00 0.00 N ATOM 432 CA ARG A 31 3.192 -8.753 -8.213 1.00 0.00 C ATOM 433 C ARG A 31 2.134 -9.695 -7.644 1.00 0.00 C ATOM 434 O ARG A 31 1.740 -10.667 -8.289 1.00 0.00 O ATOM 435 CB ARG A 31 4.550 -9.047 -7.573 1.00 0.00 C ATOM 436 CG ARG A 31 4.540 -8.958 -6.056 1.00 0.00 C ATOM 437 CD ARG A 31 5.937 -9.118 -5.479 1.00 0.00 C ATOM 438 NE ARG A 31 6.964 -8.605 -6.381 1.00 0.00 N ATOM 439 CZ ARG A 31 7.491 -9.312 -7.374 1.00 0.00 C ATOM 440 NH1 ARG A 31 7.090 -10.557 -7.591 1.00 0.00 N ATOM 441 NH2 ARG A 31 8.422 -8.775 -8.153 1.00 0.00 N ATOM 0 H ARG A 31 3.555 -6.787 -7.584 1.00 0.00 H new ATOM 0 HA ARG A 31 3.262 -8.919 -9.288 1.00 0.00 H new ATOM 0 HB2 ARG A 31 4.873 -10.046 -7.868 1.00 0.00 H new ATOM 0 HB3 ARG A 31 5.286 -8.345 -7.965 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.127 -7.997 -5.750 1.00 0.00 H new ATOM 0 HG3 ARG A 31 3.887 -9.730 -5.650 1.00 0.00 H new ATOM 0 HD2 ARG A 31 5.997 -8.594 -4.525 1.00 0.00 H new ATOM 0 HD3 ARG A 31 6.127 -10.172 -5.276 1.00 0.00 H new ATOM 0 HE ARG A 31 7.295 -7.651 -6.241 1.00 0.00 H new ATOM 0 HH11 ARG A 31 6.375 -10.974 -6.995 1.00 0.00 H new ATOM 0 HH12 ARG A 31 7.496 -11.098 -8.354 1.00 0.00 H new ATOM 0 HH21 ARG A 31 8.734 -7.818 -7.989 1.00 0.00 H new ATOM 0 HH22 ARG A 31 8.826 -9.320 -8.915 1.00 0.00 H new ATOM 455 N THR A 32 1.680 -9.401 -6.429 1.00 0.00 N ATOM 456 CA THR A 32 0.670 -10.221 -5.772 1.00 0.00 C ATOM 457 C THR A 32 -0.591 -10.328 -6.622 1.00 0.00 C ATOM 458 O THR A 32 -1.226 -11.381 -6.679 1.00 0.00 O ATOM 459 CB THR A 32 0.297 -9.652 -4.390 1.00 0.00 C ATOM 460 OG1 THR A 32 -0.197 -10.699 -3.547 1.00 0.00 O ATOM 461 CG2 THR A 32 -0.754 -8.560 -4.520 1.00 0.00 C ATOM 0 H THR A 32 1.996 -8.601 -5.881 1.00 0.00 H new ATOM 0 HA THR A 32 1.103 -11.213 -5.644 1.00 0.00 H new ATOM 0 HB THR A 32 1.193 -9.220 -3.945 1.00 0.00 H new ATOM 0 HG1 THR A 32 -0.431 -10.330 -2.670 1.00 0.00 H new ATOM 0 HG21 THR A 32 -1.001 -8.174 -3.531 1.00 0.00 H new ATOM 0 HG22 THR A 32 -0.364 -7.752 -5.139 1.00 0.00 H new ATOM 0 HG23 THR A 32 -1.651 -8.971 -4.983 1.00 0.00 H new ATOM 469 N HIS A 33 -0.948 -9.231 -7.282 1.00 0.00 N ATOM 470 CA HIS A 33 -2.134 -9.202 -8.131 1.00 0.00 C ATOM 471 C HIS A 33 -1.895 -9.974 -9.425 1.00 0.00 C ATOM 472 O HIS A 33 -2.613 -10.925 -9.735 1.00 0.00 O ATOM 473 CB HIS A 33 -2.524 -7.758 -8.450 1.00 0.00 C ATOM 474 CG HIS A 33 -3.311 -7.096 -7.361 1.00 0.00 C ATOM 475 ND1 HIS A 33 -4.465 -7.634 -6.832 1.00 0.00 N ATOM 476 CD2 HIS A 33 -3.103 -5.933 -6.700 1.00 0.00 C ATOM 477 CE1 HIS A 33 -4.934 -6.831 -5.895 1.00 0.00 C ATOM 478 NE2 HIS A 33 -4.125 -5.791 -5.794 1.00 0.00 N ATOM 0 H HIS A 33 -0.434 -8.351 -7.245 1.00 0.00 H new ATOM 0 HA HIS A 33 -2.950 -9.680 -7.589 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -1.620 -7.179 -8.637 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -3.108 -7.743 -9.370 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -4.890 -8.515 -7.120 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -2.285 -5.245 -6.856 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -5.827 -6.996 -5.310 1.00 0.00 H new ATOM 486 N THR A 34 -0.880 -9.559 -10.178 1.00 0.00 N ATOM 487 CA THR A 34 -0.548 -10.210 -11.438 1.00 0.00 C ATOM 488 C THR A 34 0.920 -10.622 -11.473 1.00 0.00 C ATOM 489 O THR A 34 1.811 -9.777 -11.537 1.00 0.00 O ATOM 490 CB THR A 34 -0.840 -9.291 -12.639 1.00 0.00 C ATOM 491 OG1 THR A 34 -0.574 -9.985 -13.863 1.00 0.00 O ATOM 492 CG2 THR A 34 0.007 -8.028 -12.573 1.00 0.00 C ATOM 0 H THR A 34 -0.274 -8.775 -9.936 1.00 0.00 H new ATOM 0 HA THR A 34 -1.174 -11.099 -11.510 1.00 0.00 H new ATOM 0 HB THR A 34 -1.892 -9.007 -12.603 1.00 0.00 H new ATOM 0 HG1 THR A 34 -0.764 -9.394 -14.622 1.00 0.00 H new ATOM 0 HG21 THR A 34 -0.217 -7.395 -13.431 1.00 0.00 H new ATOM 0 HG22 THR A 34 -0.218 -7.487 -11.654 1.00 0.00 H new ATOM 0 HG23 THR A 34 1.063 -8.297 -12.586 1.00 0.00 H new ATOM 500 N GLY A 35 1.163 -11.929 -11.433 1.00 0.00 N ATOM 501 CA GLY A 35 2.525 -12.431 -11.461 1.00 0.00 C ATOM 502 C GLY A 35 2.585 -13.945 -11.461 1.00 0.00 C ATOM 503 O GLY A 35 3.104 -14.552 -12.397 1.00 0.00 O ATOM 0 H GLY A 35 0.442 -12.648 -11.382 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.031 -12.050 -12.348 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.068 -12.049 -10.596 1.00 0.00 H new ATOM 507 N GLU A 36 2.053 -14.557 -10.407 1.00 0.00 N ATOM 508 CA GLU A 36 2.051 -16.010 -10.289 1.00 0.00 C ATOM 509 C GLU A 36 0.681 -16.519 -9.850 1.00 0.00 C ATOM 510 O GLU A 36 -0.006 -15.879 -9.053 1.00 0.00 O ATOM 511 CB GLU A 36 3.119 -16.464 -9.291 1.00 0.00 C ATOM 512 CG GLU A 36 3.691 -17.838 -9.596 1.00 0.00 C ATOM 513 CD GLU A 36 4.749 -18.264 -8.596 1.00 0.00 C ATOM 514 OE1 GLU A 36 5.702 -17.487 -8.375 1.00 0.00 O ATOM 515 OE2 GLU A 36 4.626 -19.373 -8.037 1.00 0.00 O ATOM 0 H GLU A 36 1.618 -14.069 -9.624 1.00 0.00 H new ATOM 0 HA GLU A 36 2.278 -16.429 -11.270 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.930 -15.736 -9.283 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.688 -16.473 -8.290 1.00 0.00 H new ATOM 0 HG2 GLU A 36 2.884 -18.571 -9.600 1.00 0.00 H new ATOM 0 HG3 GLU A 36 4.123 -17.834 -10.597 1.00 0.00 H new ATOM 522 N LYS A 37 0.288 -17.673 -10.378 1.00 0.00 N ATOM 523 CA LYS A 37 -0.999 -18.270 -10.042 1.00 0.00 C ATOM 524 C LYS A 37 -0.812 -19.550 -9.234 1.00 0.00 C ATOM 525 O LYS A 37 0.212 -20.227 -9.328 1.00 0.00 O ATOM 526 CB LYS A 37 -1.793 -18.570 -11.316 1.00 0.00 C ATOM 527 CG LYS A 37 -2.417 -17.338 -11.948 1.00 0.00 C ATOM 528 CD LYS A 37 -3.767 -17.015 -11.328 1.00 0.00 C ATOM 529 CE LYS A 37 -4.186 -15.582 -11.618 1.00 0.00 C ATOM 530 NZ LYS A 37 -3.318 -14.597 -10.916 1.00 0.00 N ATOM 0 H LYS A 37 0.843 -18.214 -11.041 1.00 0.00 H new ATOM 0 HA LYS A 37 -1.554 -17.556 -9.434 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.133 -19.046 -12.042 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.580 -19.287 -11.083 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -1.747 -16.487 -11.826 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.537 -17.499 -13.019 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -4.520 -17.701 -11.716 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -3.720 -17.170 -10.250 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -4.144 -15.402 -12.692 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -5.222 -15.437 -11.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.811 -13.684 -10.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.104 -14.943 -9.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -2.432 -14.475 -11.446 1.00 0.00 H new ATOM 544 N PRO A 38 -1.823 -19.891 -8.422 1.00 0.00 N ATOM 545 CA PRO A 38 -1.793 -21.093 -7.583 1.00 0.00 C ATOM 546 C PRO A 38 -1.890 -22.375 -8.404 1.00 0.00 C ATOM 547 O PRO A 38 -1.931 -23.475 -7.853 1.00 0.00 O ATOM 548 CB PRO A 38 -3.027 -20.935 -6.692 1.00 0.00 C ATOM 549 CG PRO A 38 -3.951 -20.066 -7.474 1.00 0.00 C ATOM 550 CD PRO A 38 -3.073 -19.130 -8.260 1.00 0.00 C ATOM 0 HA PRO A 38 -0.858 -21.180 -7.029 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -3.483 -21.900 -6.472 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -2.769 -20.479 -5.736 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.579 -20.661 -8.137 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.619 -19.513 -6.814 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.517 -18.876 -9.223 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -2.907 -18.193 -7.728 1.00 0.00 H new ATOM 558 N SER A 39 -1.926 -22.226 -9.724 1.00 0.00 N ATOM 559 CA SER A 39 -2.021 -23.372 -10.621 1.00 0.00 C ATOM 560 C SER A 39 -1.260 -24.568 -10.057 1.00 0.00 C ATOM 561 O SER A 39 -0.133 -24.433 -9.583 1.00 0.00 O ATOM 562 CB SER A 39 -1.475 -23.011 -12.004 1.00 0.00 C ATOM 563 OG SER A 39 -1.892 -23.952 -12.978 1.00 0.00 O ATOM 0 H SER A 39 -1.891 -21.323 -10.196 1.00 0.00 H new ATOM 0 HA SER A 39 -3.073 -23.644 -10.713 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.818 -22.015 -12.285 1.00 0.00 H new ATOM 0 HB3 SER A 39 -0.386 -22.975 -11.971 1.00 0.00 H new ATOM 0 HG SER A 39 -1.532 -23.698 -13.853 1.00 0.00 H new ATOM 569 N GLY A 40 -1.887 -25.739 -10.112 1.00 0.00 N ATOM 570 CA GLY A 40 -1.255 -26.943 -9.603 1.00 0.00 C ATOM 571 C GLY A 40 -1.990 -27.524 -8.411 1.00 0.00 C ATOM 572 O GLY A 40 -2.950 -28.280 -8.556 1.00 0.00 O ATOM 0 H GLY A 40 -2.821 -25.876 -10.500 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.209 -27.689 -10.397 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.227 -26.718 -9.318 1.00 0.00 H new ATOM 576 N PRO A 41 -1.534 -27.170 -7.200 1.00 0.00 N ATOM 577 CA PRO A 41 -2.140 -27.651 -5.955 1.00 0.00 C ATOM 578 C PRO A 41 -3.524 -27.058 -5.717 1.00 0.00 C ATOM 579 O PRO A 41 -3.716 -25.846 -5.816 1.00 0.00 O ATOM 580 CB PRO A 41 -1.162 -27.176 -4.878 1.00 0.00 C ATOM 581 CG PRO A 41 -0.482 -25.994 -5.478 1.00 0.00 C ATOM 582 CD PRO A 41 -0.394 -26.272 -6.953 1.00 0.00 C ATOM 0 HA PRO A 41 -2.292 -28.730 -5.966 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -1.684 -26.908 -3.959 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.446 -27.957 -4.622 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -1.045 -25.081 -5.286 1.00 0.00 H new ATOM 0 HG3 PRO A 41 0.509 -25.854 -5.047 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -0.469 -25.356 -7.540 1.00 0.00 H new ATOM 0 HD3 PRO A 41 0.553 -26.743 -7.217 1.00 0.00 H new ATOM 590 N SER A 42 -4.486 -27.919 -5.401 1.00 0.00 N ATOM 591 CA SER A 42 -5.854 -27.480 -5.151 1.00 0.00 C ATOM 592 C SER A 42 -6.007 -26.963 -3.724 1.00 0.00 C ATOM 593 O SER A 42 -6.399 -27.703 -2.823 1.00 0.00 O ATOM 594 CB SER A 42 -6.834 -28.629 -5.397 1.00 0.00 C ATOM 595 OG SER A 42 -6.497 -29.762 -4.615 1.00 0.00 O ATOM 0 H SER A 42 -4.343 -28.925 -5.312 1.00 0.00 H new ATOM 0 HA SER A 42 -6.079 -26.666 -5.840 1.00 0.00 H new ATOM 0 HB2 SER A 42 -7.847 -28.305 -5.157 1.00 0.00 H new ATOM 0 HB3 SER A 42 -6.827 -28.897 -6.453 1.00 0.00 H new ATOM 0 HG SER A 42 -6.331 -29.484 -3.690 1.00 0.00 H new ATOM 601 N SER A 43 -5.693 -25.686 -3.527 1.00 0.00 N ATOM 602 CA SER A 43 -5.791 -25.069 -2.210 1.00 0.00 C ATOM 603 C SER A 43 -6.744 -23.879 -2.237 1.00 0.00 C ATOM 604 O SER A 43 -7.731 -23.842 -1.504 1.00 0.00 O ATOM 605 CB SER A 43 -4.409 -24.620 -1.729 1.00 0.00 C ATOM 606 OG SER A 43 -4.469 -24.111 -0.408 1.00 0.00 O ATOM 0 H SER A 43 -5.369 -25.059 -4.263 1.00 0.00 H new ATOM 0 HA SER A 43 -6.185 -25.812 -1.517 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.716 -25.461 -1.767 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.018 -23.855 -2.400 1.00 0.00 H new ATOM 0 HG SER A 43 -3.573 -23.833 -0.124 1.00 0.00 H new ATOM 612 N GLY A 44 -6.440 -22.904 -3.089 1.00 0.00 N ATOM 613 CA GLY A 44 -7.278 -21.724 -3.197 1.00 0.00 C ATOM 614 C GLY A 44 -8.745 -22.069 -3.366 1.00 0.00 C ATOM 615 O GLY A 44 -9.495 -21.250 -3.896 1.00 0.00 O ATOM 0 H GLY A 44 -5.628 -22.911 -3.706 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -7.153 -21.110 -2.305 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -6.949 -21.124 -4.046 1.00 0.00 H new TER 619 GLY A 44 HETATM 620 ZN ZN A 201 -3.596 -3.902 -5.051 1.00 0.00 ZN