USER MOD reduce.3.24.130724 H: found=0, std=0, add=266, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 264 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 28 HIS HE2 : A 28 HIS NE2 : A 181 ZNZN :(H bumps) USER MOD NoAdj-H: A 33 HIS HE2 : A 33 HIS NE2 : A 181 ZNZN :(H bumps) USER MOD Set 1.1: A 31 THR OG1 : rot 180:sc= 0.0482 USER MOD Set 1.2: A 32 ASN : amide:sc= -3.43! C(o=-3.4!,f=-3.6!) 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 47:sc= 0.949 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0.00138 USER MOD Single : A 20 SER OG : rot -87:sc= 0.962 USER MOD Single : A 26 LYS NZ :NH3+ -174:sc= -0.767 (180deg=-0.981) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 10:sc= 0.334! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.103 -24.481 -16.552 1.00 0.00 N ATOM 2 CA GLY A 1 -11.159 -24.296 -15.114 1.00 0.00 C ATOM 3 C GLY A 1 -10.229 -23.198 -14.635 1.00 0.00 C ATOM 4 O GLY A 1 -9.038 -23.430 -14.430 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.756 -25.242 -16.830 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.379 -23.598 -17.027 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.134 -24.737 -16.832 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.181 -24.056 -14.821 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.897 -25.231 -14.620 1.00 0.00 H new ATOM 8 N SER A 2 -10.774 -21.999 -14.457 1.00 0.00 N ATOM 9 CA SER A 2 -9.984 -20.860 -14.004 1.00 0.00 C ATOM 10 C SER A 2 -10.572 -20.264 -12.729 1.00 0.00 C ATOM 11 O SER A 2 -11.666 -20.636 -12.303 1.00 0.00 O ATOM 12 CB SER A 2 -9.918 -19.791 -15.097 1.00 0.00 C ATOM 13 OG SER A 2 -9.334 -20.307 -16.280 1.00 0.00 O ATOM 0 H SER A 2 -11.759 -21.791 -14.620 1.00 0.00 H new ATOM 0 HA SER A 2 -8.975 -21.212 -13.788 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.922 -19.425 -15.313 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.337 -18.939 -14.743 1.00 0.00 H new ATOM 0 HG SER A 2 -9.305 -19.605 -16.963 1.00 0.00 H new ATOM 19 N SER A 3 -9.837 -19.336 -12.123 1.00 0.00 N ATOM 20 CA SER A 3 -10.283 -18.690 -10.894 1.00 0.00 C ATOM 21 C SER A 3 -10.932 -17.343 -11.193 1.00 0.00 C ATOM 22 O SER A 3 -10.540 -16.646 -12.128 1.00 0.00 O ATOM 23 CB SER A 3 -9.105 -18.500 -9.937 1.00 0.00 C ATOM 24 OG SER A 3 -8.674 -19.741 -9.405 1.00 0.00 O ATOM 0 H SER A 3 -8.931 -19.015 -12.463 1.00 0.00 H new ATOM 0 HA SER A 3 -11.025 -19.334 -10.423 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.280 -18.020 -10.462 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.396 -17.834 -9.125 1.00 0.00 H new ATOM 0 HG SER A 3 -7.919 -19.592 -8.798 1.00 0.00 H new ATOM 30 N GLY A 4 -11.930 -16.982 -10.391 1.00 0.00 N ATOM 31 CA GLY A 4 -12.619 -15.720 -10.585 1.00 0.00 C ATOM 32 C GLY A 4 -13.015 -15.068 -9.276 1.00 0.00 C ATOM 33 O GLY A 4 -12.851 -13.861 -9.100 1.00 0.00 O ATOM 0 H GLY A 4 -12.273 -17.542 -9.610 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.976 -15.041 -11.145 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.511 -15.886 -11.189 1.00 0.00 H new ATOM 37 N SER A 5 -13.541 -15.868 -8.354 1.00 0.00 N ATOM 38 CA SER A 5 -13.968 -15.361 -7.055 1.00 0.00 C ATOM 39 C SER A 5 -12.765 -15.077 -6.161 1.00 0.00 C ATOM 40 O SER A 5 -12.493 -15.816 -5.214 1.00 0.00 O ATOM 41 CB SER A 5 -14.899 -16.365 -6.373 1.00 0.00 C ATOM 42 OG SER A 5 -14.216 -17.568 -6.067 1.00 0.00 O ATOM 0 H SER A 5 -13.682 -16.870 -8.482 1.00 0.00 H new ATOM 0 HA SER A 5 -14.508 -14.428 -7.216 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.302 -15.929 -5.459 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.747 -16.580 -7.024 1.00 0.00 H new ATOM 0 HG SER A 5 -13.360 -17.358 -5.638 1.00 0.00 H new ATOM 48 N SER A 6 -12.047 -14.001 -6.468 1.00 0.00 N ATOM 49 CA SER A 6 -10.871 -13.621 -5.696 1.00 0.00 C ATOM 50 C SER A 6 -10.311 -12.287 -6.180 1.00 0.00 C ATOM 51 O SER A 6 -10.195 -12.049 -7.381 1.00 0.00 O ATOM 52 CB SER A 6 -9.796 -14.705 -5.797 1.00 0.00 C ATOM 53 OG SER A 6 -8.940 -14.681 -4.667 1.00 0.00 O ATOM 0 H SER A 6 -12.260 -13.377 -7.246 1.00 0.00 H new ATOM 0 HA SER A 6 -11.171 -13.513 -4.654 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.269 -15.684 -5.879 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.210 -14.557 -6.704 1.00 0.00 H new ATOM 0 HG SER A 6 -8.263 -15.384 -4.755 1.00 0.00 H new ATOM 59 N GLY A 7 -9.966 -11.418 -5.234 1.00 0.00 N ATOM 60 CA GLY A 7 -9.423 -10.119 -5.583 1.00 0.00 C ATOM 61 C GLY A 7 -7.922 -10.155 -5.796 1.00 0.00 C ATOM 62 O GLY A 7 -7.251 -11.097 -5.372 1.00 0.00 O ATOM 0 H GLY A 7 -10.053 -11.591 -4.233 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.907 -9.759 -6.491 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.657 -9.406 -4.792 1.00 0.00 H new ATOM 66 N ARG A 8 -7.395 -9.130 -6.457 1.00 0.00 N ATOM 67 CA ARG A 8 -5.965 -9.050 -6.728 1.00 0.00 C ATOM 68 C ARG A 8 -5.200 -8.594 -5.489 1.00 0.00 C ATOM 69 O ARG A 8 -5.588 -7.631 -4.827 1.00 0.00 O ATOM 70 CB ARG A 8 -5.697 -8.089 -7.888 1.00 0.00 C ATOM 71 CG ARG A 8 -4.231 -8.004 -8.282 1.00 0.00 C ATOM 72 CD ARG A 8 -3.813 -9.196 -9.130 1.00 0.00 C ATOM 73 NE ARG A 8 -4.184 -9.027 -10.532 1.00 0.00 N ATOM 74 CZ ARG A 8 -3.444 -8.362 -11.413 1.00 0.00 C ATOM 75 NH1 ARG A 8 -2.301 -7.806 -11.038 1.00 0.00 N ATOM 76 NH2 ARG A 8 -3.849 -8.252 -12.672 1.00 0.00 N ATOM 0 H ARG A 8 -7.937 -8.343 -6.815 1.00 0.00 H new ATOM 0 HA ARG A 8 -5.617 -10.046 -7.002 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -6.279 -8.406 -8.753 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -6.049 -7.095 -7.614 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -4.055 -7.082 -8.836 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -3.614 -7.960 -7.385 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -2.734 -9.334 -9.055 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -4.278 -10.101 -8.738 1.00 0.00 H new ATOM 0 HE ARG A 8 -5.059 -9.442 -10.853 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -1.987 -7.888 -10.071 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -1.735 -7.296 -11.716 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -4.729 -8.678 -12.964 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -3.281 -7.741 -13.348 1.00 0.00 H new ATOM 90 N SER A 9 -4.113 -9.294 -5.180 1.00 0.00 N ATOM 91 CA SER A 9 -3.296 -8.964 -4.018 1.00 0.00 C ATOM 92 C SER A 9 -2.159 -8.022 -4.402 1.00 0.00 C ATOM 93 O SER A 9 -1.737 -7.979 -5.558 1.00 0.00 O ATOM 94 CB SER A 9 -2.728 -10.237 -3.389 1.00 0.00 C ATOM 95 OG SER A 9 -3.695 -10.879 -2.575 1.00 0.00 O ATOM 0 H SER A 9 -3.778 -10.093 -5.718 1.00 0.00 H new ATOM 0 HA SER A 9 -3.932 -8.460 -3.290 1.00 0.00 H new ATOM 0 HB2 SER A 9 -2.398 -10.918 -4.173 1.00 0.00 H new ATOM 0 HB3 SER A 9 -1.850 -9.991 -2.791 1.00 0.00 H new ATOM 0 HG SER A 9 -3.308 -11.691 -2.186 1.00 0.00 H new ATOM 101 N TYR A 10 -1.668 -7.268 -3.425 1.00 0.00 N ATOM 102 CA TYR A 10 -0.582 -6.325 -3.660 1.00 0.00 C ATOM 103 C TYR A 10 0.513 -6.481 -2.609 1.00 0.00 C ATOM 104 O TYR A 10 0.265 -6.339 -1.411 1.00 0.00 O ATOM 105 CB TYR A 10 -1.113 -4.890 -3.649 1.00 0.00 C ATOM 106 CG TYR A 10 -1.744 -4.468 -4.957 1.00 0.00 C ATOM 107 CD1 TYR A 10 -3.084 -4.727 -5.219 1.00 0.00 C ATOM 108 CD2 TYR A 10 -1.001 -3.813 -5.930 1.00 0.00 C ATOM 109 CE1 TYR A 10 -3.665 -4.344 -6.412 1.00 0.00 C ATOM 110 CE2 TYR A 10 -1.574 -3.425 -7.126 1.00 0.00 C ATOM 111 CZ TYR A 10 -2.906 -3.693 -7.362 1.00 0.00 C ATOM 112 OH TYR A 10 -3.480 -3.310 -8.553 1.00 0.00 O ATOM 0 H TYR A 10 -2.005 -7.292 -2.463 1.00 0.00 H new ATOM 0 HA TYR A 10 -0.154 -6.540 -4.639 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -1.849 -4.790 -2.851 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -0.294 -4.210 -3.414 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -3.681 -5.236 -4.477 1.00 0.00 H new ATOM 0 HD2 TYR A 10 0.043 -3.603 -5.749 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -4.708 -4.553 -6.600 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.982 -2.915 -7.872 1.00 0.00 H new ATOM 0 HH TYR A 10 -2.809 -2.863 -9.110 1.00 0.00 H new ATOM 122 N SER A 11 1.726 -6.775 -3.066 1.00 0.00 N ATOM 123 CA SER A 11 2.859 -6.955 -2.167 1.00 0.00 C ATOM 124 C SER A 11 3.788 -5.745 -2.214 1.00 0.00 C ATOM 125 O SER A 11 4.061 -5.199 -3.284 1.00 0.00 O ATOM 126 CB SER A 11 3.634 -8.221 -2.535 1.00 0.00 C ATOM 127 OG SER A 11 2.830 -9.377 -2.374 1.00 0.00 O ATOM 0 H SER A 11 1.949 -6.894 -4.054 1.00 0.00 H new ATOM 0 HA SER A 11 2.473 -7.056 -1.153 1.00 0.00 H new ATOM 0 HB2 SER A 11 3.977 -8.154 -3.567 1.00 0.00 H new ATOM 0 HB3 SER A 11 4.522 -8.302 -1.909 1.00 0.00 H new ATOM 0 HG SER A 11 3.348 -10.172 -2.617 1.00 0.00 H new ATOM 133 N CYS A 12 4.270 -5.331 -1.047 1.00 0.00 N ATOM 134 CA CYS A 12 5.168 -4.186 -0.953 1.00 0.00 C ATOM 135 C CYS A 12 6.486 -4.468 -1.668 1.00 0.00 C ATOM 136 O CYS A 12 7.086 -5.533 -1.520 1.00 0.00 O ATOM 137 CB CYS A 12 5.434 -3.839 0.513 1.00 0.00 C ATOM 138 SG CYS A 12 6.371 -2.296 0.754 1.00 0.00 S ATOM 0 H CYS A 12 4.054 -5.772 -0.153 1.00 0.00 H new ATOM 0 HA CYS A 12 4.686 -3.337 -1.439 1.00 0.00 H new ATOM 0 HB2 CYS A 12 4.480 -3.758 1.035 1.00 0.00 H new ATOM 0 HB3 CYS A 12 5.982 -4.660 0.976 1.00 0.00 H new ATOM 143 N PRO A 13 6.950 -3.492 -2.462 1.00 0.00 N ATOM 144 CA PRO A 13 8.202 -3.611 -3.215 1.00 0.00 C ATOM 145 C PRO A 13 9.428 -3.589 -2.308 1.00 0.00 C ATOM 146 O PRO A 13 10.417 -4.275 -2.567 1.00 0.00 O ATOM 147 CB PRO A 13 8.188 -2.379 -4.124 1.00 0.00 C ATOM 148 CG PRO A 13 7.331 -1.391 -3.410 1.00 0.00 C ATOM 149 CD PRO A 13 6.287 -2.196 -2.686 1.00 0.00 C ATOM 0 HA PRO A 13 8.264 -4.556 -3.755 1.00 0.00 H new ATOM 0 HB2 PRO A 13 9.194 -1.990 -4.280 1.00 0.00 H new ATOM 0 HB3 PRO A 13 7.783 -2.617 -5.107 1.00 0.00 H new ATOM 0 HG2 PRO A 13 7.920 -0.797 -2.711 1.00 0.00 H new ATOM 0 HG3 PRO A 13 6.870 -0.695 -4.111 1.00 0.00 H new ATOM 0 HD2 PRO A 13 5.997 -1.725 -1.747 1.00 0.00 H new ATOM 0 HD3 PRO A 13 5.380 -2.306 -3.281 1.00 0.00 H new ATOM 157 N VAL A 14 9.356 -2.797 -1.243 1.00 0.00 N ATOM 158 CA VAL A 14 10.460 -2.687 -0.296 1.00 0.00 C ATOM 159 C VAL A 14 10.491 -3.880 0.653 1.00 0.00 C ATOM 160 O VAL A 14 11.556 -4.421 0.953 1.00 0.00 O ATOM 161 CB VAL A 14 10.364 -1.391 0.530 1.00 0.00 C ATOM 162 CG1 VAL A 14 11.497 -1.317 1.543 1.00 0.00 C ATOM 163 CG2 VAL A 14 10.375 -0.175 -0.384 1.00 0.00 C ATOM 0 H VAL A 14 8.545 -2.222 -1.014 1.00 0.00 H new ATOM 0 HA VAL A 14 11.379 -2.668 -0.882 1.00 0.00 H new ATOM 0 HB VAL A 14 9.421 -1.398 1.076 1.00 0.00 H new ATOM 0 HG11 VAL A 14 11.412 -0.394 2.117 1.00 0.00 H new ATOM 0 HG12 VAL A 14 11.438 -2.171 2.218 1.00 0.00 H new ATOM 0 HG13 VAL A 14 12.454 -1.333 1.021 1.00 0.00 H new ATOM 0 HG21 VAL A 14 10.306 0.732 0.216 1.00 0.00 H new ATOM 0 HG22 VAL A 14 11.301 -0.160 -0.959 1.00 0.00 H new ATOM 0 HG23 VAL A 14 9.526 -0.224 -1.065 1.00 0.00 H new ATOM 173 N CYS A 15 9.316 -4.286 1.122 1.00 0.00 N ATOM 174 CA CYS A 15 9.207 -5.416 2.037 1.00 0.00 C ATOM 175 C CYS A 15 8.069 -6.344 1.622 1.00 0.00 C ATOM 176 O CYS A 15 6.969 -6.276 2.169 1.00 0.00 O ATOM 177 CB CYS A 15 8.980 -4.921 3.467 1.00 0.00 C ATOM 178 SG CYS A 15 7.428 -3.996 3.696 1.00 0.00 S ATOM 0 H CYS A 15 8.426 -3.849 0.883 1.00 0.00 H new ATOM 0 HA CYS A 15 10.142 -5.975 1.997 1.00 0.00 H new ATOM 0 HB2 CYS A 15 8.983 -5.777 4.141 1.00 0.00 H new ATOM 0 HB3 CYS A 15 9.816 -4.284 3.757 1.00 0.00 H new ATOM 183 N GLU A 16 8.343 -7.211 0.652 1.00 0.00 N ATOM 184 CA GLU A 16 7.342 -8.152 0.164 1.00 0.00 C ATOM 185 C GLU A 16 6.354 -8.517 1.268 1.00 0.00 C ATOM 186 O GLU A 16 6.602 -9.421 2.066 1.00 0.00 O ATOM 187 CB GLU A 16 8.017 -9.418 -0.369 1.00 0.00 C ATOM 188 CG GLU A 16 8.815 -9.192 -1.643 1.00 0.00 C ATOM 189 CD GLU A 16 8.947 -10.450 -2.479 1.00 0.00 C ATOM 190 OE1 GLU A 16 7.943 -10.860 -3.098 1.00 0.00 O ATOM 191 OE2 GLU A 16 10.056 -11.024 -2.515 1.00 0.00 O ATOM 0 H GLU A 16 9.249 -7.281 0.189 1.00 0.00 H new ATOM 0 HA GLU A 16 6.794 -7.671 -0.646 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.680 -9.817 0.399 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.255 -10.174 -0.557 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.333 -8.415 -2.236 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.809 -8.826 -1.385 1.00 0.00 H new ATOM 198 N LYS A 17 5.232 -7.806 1.308 1.00 0.00 N ATOM 199 CA LYS A 17 4.205 -8.052 2.313 1.00 0.00 C ATOM 200 C LYS A 17 2.811 -7.840 1.729 1.00 0.00 C ATOM 201 O LYS A 17 2.506 -6.772 1.200 1.00 0.00 O ATOM 202 CB LYS A 17 4.410 -7.133 3.518 1.00 0.00 C ATOM 203 CG LYS A 17 3.247 -7.143 4.496 1.00 0.00 C ATOM 204 CD LYS A 17 3.682 -6.703 5.884 1.00 0.00 C ATOM 205 CE LYS A 17 2.681 -7.134 6.945 1.00 0.00 C ATOM 206 NZ LYS A 17 2.845 -6.364 8.209 1.00 0.00 N ATOM 0 H LYS A 17 5.011 -7.054 0.655 1.00 0.00 H new ATOM 0 HA LYS A 17 4.290 -9.089 2.637 1.00 0.00 H new ATOM 0 HB2 LYS A 17 5.317 -7.433 4.042 1.00 0.00 H new ATOM 0 HB3 LYS A 17 4.568 -6.114 3.165 1.00 0.00 H new ATOM 0 HG2 LYS A 17 2.460 -6.482 4.134 1.00 0.00 H new ATOM 0 HG3 LYS A 17 2.822 -8.146 4.548 1.00 0.00 H new ATOM 0 HD2 LYS A 17 4.660 -7.127 6.111 1.00 0.00 H new ATOM 0 HD3 LYS A 17 3.792 -5.619 5.905 1.00 0.00 H new ATOM 0 HE2 LYS A 17 1.668 -6.997 6.566 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.804 -8.198 7.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 2.144 -6.688 8.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 3.803 -6.514 8.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 2.702 -5.351 8.020 1.00 0.00 H new ATOM 220 N SER A 18 1.970 -8.864 1.831 1.00 0.00 N ATOM 221 CA SER A 18 0.609 -8.790 1.311 1.00 0.00 C ATOM 222 C SER A 18 -0.323 -8.130 2.322 1.00 0.00 C ATOM 223 O SER A 18 -0.189 -8.328 3.530 1.00 0.00 O ATOM 224 CB SER A 18 0.096 -10.189 0.964 1.00 0.00 C ATOM 225 OG SER A 18 0.225 -11.068 2.068 1.00 0.00 O ATOM 0 H SER A 18 2.207 -9.754 2.269 1.00 0.00 H new ATOM 0 HA SER A 18 0.624 -8.182 0.406 1.00 0.00 H new ATOM 0 HB2 SER A 18 -0.950 -10.132 0.661 1.00 0.00 H new ATOM 0 HB3 SER A 18 0.653 -10.583 0.114 1.00 0.00 H new ATOM 0 HG SER A 18 -0.111 -11.955 1.821 1.00 0.00 H new ATOM 231 N PHE A 19 -1.269 -7.344 1.820 1.00 0.00 N ATOM 232 CA PHE A 19 -2.225 -6.653 2.678 1.00 0.00 C ATOM 233 C PHE A 19 -3.652 -7.098 2.372 1.00 0.00 C ATOM 234 O PHE A 19 -3.973 -7.454 1.238 1.00 0.00 O ATOM 235 CB PHE A 19 -2.101 -5.138 2.498 1.00 0.00 C ATOM 236 CG PHE A 19 -0.867 -4.558 3.128 1.00 0.00 C ATOM 237 CD1 PHE A 19 0.391 -4.993 2.745 1.00 0.00 C ATOM 238 CD2 PHE A 19 -0.966 -3.579 4.102 1.00 0.00 C ATOM 239 CE1 PHE A 19 1.529 -4.462 3.323 1.00 0.00 C ATOM 240 CE2 PHE A 19 0.168 -3.043 4.684 1.00 0.00 C ATOM 241 CZ PHE A 19 1.417 -3.485 4.293 1.00 0.00 C ATOM 0 H PHE A 19 -1.395 -7.169 0.823 1.00 0.00 H new ATOM 0 HA PHE A 19 -1.998 -6.909 3.713 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.099 -4.906 1.433 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.979 -4.656 2.928 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.484 -5.756 1.986 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -1.940 -3.230 4.411 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.504 -4.811 3.017 1.00 0.00 H new ATOM 0 HE2 PHE A 19 0.077 -2.280 5.443 1.00 0.00 H new ATOM 0 HZ PHE A 19 2.304 -3.067 4.745 1.00 0.00 H new ATOM 251 N SER A 20 -4.504 -7.075 3.391 1.00 0.00 N ATOM 252 CA SER A 20 -5.896 -7.481 3.234 1.00 0.00 C ATOM 253 C SER A 20 -6.656 -6.485 2.363 1.00 0.00 C ATOM 254 O SER A 20 -7.495 -6.870 1.550 1.00 0.00 O ATOM 255 CB SER A 20 -6.572 -7.601 4.601 1.00 0.00 C ATOM 256 OG SER A 20 -7.875 -8.144 4.479 1.00 0.00 O ATOM 0 H SER A 20 -4.255 -6.779 4.335 1.00 0.00 H new ATOM 0 HA SER A 20 -5.912 -8.454 2.743 1.00 0.00 H new ATOM 0 HB2 SER A 20 -5.970 -8.234 5.253 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.626 -6.619 5.071 1.00 0.00 H new ATOM 0 HG SER A 20 -8.514 -7.423 4.301 1.00 0.00 H new ATOM 262 N GLU A 21 -6.355 -5.202 2.541 1.00 0.00 N ATOM 263 CA GLU A 21 -7.011 -4.151 1.773 1.00 0.00 C ATOM 264 C GLU A 21 -6.093 -3.629 0.671 1.00 0.00 C ATOM 265 O GLU A 21 -4.897 -3.923 0.654 1.00 0.00 O ATOM 266 CB GLU A 21 -7.428 -3.001 2.692 1.00 0.00 C ATOM 267 CG GLU A 21 -8.676 -3.295 3.507 1.00 0.00 C ATOM 268 CD GLU A 21 -8.488 -4.455 4.465 1.00 0.00 C ATOM 269 OE1 GLU A 21 -8.014 -4.218 5.596 1.00 0.00 O ATOM 270 OE2 GLU A 21 -8.813 -5.599 4.084 1.00 0.00 O ATOM 0 H GLU A 21 -5.662 -4.866 3.210 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.901 -4.577 1.310 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.606 -2.773 3.371 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.600 -2.109 2.089 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.955 -2.405 4.071 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.502 -3.517 2.832 1.00 0.00 H new ATOM 277 N ASP A 22 -6.661 -2.853 -0.246 1.00 0.00 N ATOM 278 CA ASP A 22 -5.894 -2.289 -1.351 1.00 0.00 C ATOM 279 C ASP A 22 -5.538 -0.831 -1.077 1.00 0.00 C ATOM 280 O ASP A 22 -4.583 -0.299 -1.642 1.00 0.00 O ATOM 281 CB ASP A 22 -6.685 -2.397 -2.655 1.00 0.00 C ATOM 282 CG ASP A 22 -7.422 -3.716 -2.778 1.00 0.00 C ATOM 283 OD1 ASP A 22 -8.378 -3.935 -2.007 1.00 0.00 O ATOM 284 OD2 ASP A 22 -7.041 -4.530 -3.646 1.00 0.00 O ATOM 0 H ASP A 22 -7.649 -2.600 -0.246 1.00 0.00 H new ATOM 0 HA ASP A 22 -4.969 -2.858 -1.447 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -7.401 -1.577 -2.711 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -6.005 -2.284 -3.499 1.00 0.00 H new ATOM 289 N ARG A 23 -6.312 -0.191 -0.206 1.00 0.00 N ATOM 290 CA ARG A 23 -6.079 1.205 0.141 1.00 0.00 C ATOM 291 C ARG A 23 -5.016 1.325 1.229 1.00 0.00 C ATOM 292 O ARG A 23 -4.536 2.420 1.525 1.00 0.00 O ATOM 293 CB ARG A 23 -7.380 1.860 0.610 1.00 0.00 C ATOM 294 CG ARG A 23 -7.853 1.371 1.969 1.00 0.00 C ATOM 295 CD ARG A 23 -9.129 2.075 2.402 1.00 0.00 C ATOM 296 NE ARG A 23 -8.858 3.376 3.007 1.00 0.00 N ATOM 297 CZ ARG A 23 -9.705 3.999 3.819 1.00 0.00 C ATOM 298 NH1 ARG A 23 -10.870 3.443 4.122 1.00 0.00 N ATOM 299 NH2 ARG A 23 -9.386 5.181 4.331 1.00 0.00 N ATOM 0 H ARG A 23 -7.106 -0.618 0.272 1.00 0.00 H new ATOM 0 HA ARG A 23 -5.721 1.720 -0.751 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -7.239 2.940 0.651 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -8.160 1.668 -0.127 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -8.025 0.295 1.930 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -7.072 1.542 2.710 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.782 2.206 1.539 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -9.665 1.448 3.115 1.00 0.00 H new ATOM 0 HE ARG A 23 -7.970 3.831 2.795 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -11.118 2.534 3.731 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -11.518 3.924 4.746 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -8.490 5.611 4.101 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -10.037 5.659 4.954 1.00 0.00 H new ATOM 313 N LEU A 24 -4.653 0.193 1.821 1.00 0.00 N ATOM 314 CA LEU A 24 -3.647 0.170 2.877 1.00 0.00 C ATOM 315 C LEU A 24 -2.249 -0.002 2.293 1.00 0.00 C ATOM 316 O LEU A 24 -1.371 0.837 2.501 1.00 0.00 O ATOM 317 CB LEU A 24 -3.942 -0.960 3.866 1.00 0.00 C ATOM 318 CG LEU A 24 -5.048 -0.687 4.886 1.00 0.00 C ATOM 319 CD1 LEU A 24 -5.325 -1.930 5.718 1.00 0.00 C ATOM 320 CD2 LEU A 24 -4.671 0.483 5.782 1.00 0.00 C ATOM 0 H LEU A 24 -5.040 -0.721 1.588 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.686 1.124 3.403 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.210 -1.851 3.299 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.025 -1.191 4.408 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.958 -0.426 4.345 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.115 -1.717 6.438 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.640 -2.743 5.064 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.419 -2.222 6.249 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.470 0.663 6.501 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.749 0.251 6.314 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.524 1.375 5.173 1.00 0.00 H new ATOM 332 N ILE A 25 -2.049 -1.092 1.561 1.00 0.00 N ATOM 333 CA ILE A 25 -0.758 -1.372 0.944 1.00 0.00 C ATOM 334 C ILE A 25 -0.116 -0.096 0.410 1.00 0.00 C ATOM 335 O ILE A 25 1.042 0.200 0.704 1.00 0.00 O ATOM 336 CB ILE A 25 -0.892 -2.386 -0.207 1.00 0.00 C ATOM 337 CG1 ILE A 25 0.482 -2.701 -0.802 1.00 0.00 C ATOM 338 CG2 ILE A 25 -1.829 -1.850 -1.279 1.00 0.00 C ATOM 339 CD1 ILE A 25 1.347 -3.556 0.096 1.00 0.00 C ATOM 0 H ILE A 25 -2.764 -1.796 1.380 1.00 0.00 H new ATOM 0 HA ILE A 25 -0.123 -1.798 1.721 1.00 0.00 H new ATOM 0 HB ILE A 25 -1.315 -3.309 0.190 1.00 0.00 H new ATOM 0 HG12 ILE A 25 0.348 -3.211 -1.756 1.00 0.00 H new ATOM 0 HG13 ILE A 25 1.002 -1.766 -1.011 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.913 -2.578 -2.086 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.813 -1.672 -0.846 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -1.432 -0.915 -1.674 1.00 0.00 H new ATOM 0 HD11 ILE A 25 2.306 -3.739 -0.389 1.00 0.00 H new ATOM 0 HD12 ILE A 25 1.512 -3.039 1.041 1.00 0.00 H new ATOM 0 HD13 ILE A 25 0.848 -4.507 0.284 1.00 0.00 H new ATOM 351 N LYS A 26 -0.877 0.659 -0.376 1.00 0.00 N ATOM 352 CA LYS A 26 -0.385 1.905 -0.949 1.00 0.00 C ATOM 353 C LYS A 26 0.050 2.874 0.146 1.00 0.00 C ATOM 354 O LYS A 26 1.099 3.509 0.045 1.00 0.00 O ATOM 355 CB LYS A 26 -1.467 2.553 -1.817 1.00 0.00 C ATOM 356 CG LYS A 26 -1.396 2.148 -3.280 1.00 0.00 C ATOM 357 CD LYS A 26 -2.278 0.945 -3.568 1.00 0.00 C ATOM 358 CE LYS A 26 -3.670 1.368 -4.011 1.00 0.00 C ATOM 359 NZ LYS A 26 -4.355 2.192 -2.976 1.00 0.00 N ATOM 0 H LYS A 26 -1.838 0.429 -0.630 1.00 0.00 H new ATOM 0 HA LYS A 26 0.481 1.673 -1.569 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.447 2.285 -1.422 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -1.379 3.637 -1.744 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -1.705 2.985 -3.906 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.364 1.916 -3.545 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -1.818 0.333 -4.344 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -2.352 0.325 -2.675 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -3.599 1.936 -4.939 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -4.268 0.482 -4.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -5.335 2.375 -3.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -4.355 1.681 -2.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -3.853 3.096 -2.864 1.00 0.00 H new ATOM 373 N SER A 27 -0.763 2.981 1.192 1.00 0.00 N ATOM 374 CA SER A 27 -0.463 3.874 2.305 1.00 0.00 C ATOM 375 C SER A 27 0.814 3.441 3.020 1.00 0.00 C ATOM 376 O SER A 27 1.705 4.254 3.268 1.00 0.00 O ATOM 377 CB SER A 27 -1.630 3.901 3.294 1.00 0.00 C ATOM 378 OG SER A 27 -1.373 4.795 4.363 1.00 0.00 O ATOM 0 H SER A 27 -1.634 2.460 1.292 1.00 0.00 H new ATOM 0 HA SER A 27 -0.313 4.876 1.904 1.00 0.00 H new ATOM 0 HB2 SER A 27 -2.542 4.200 2.777 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.801 2.899 3.687 1.00 0.00 H new ATOM 0 HG SER A 27 -2.134 4.795 4.980 1.00 0.00 H new ATOM 384 N HIS A 28 0.895 2.156 3.347 1.00 0.00 N ATOM 385 CA HIS A 28 2.062 1.613 4.033 1.00 0.00 C ATOM 386 C HIS A 28 3.349 2.028 3.325 1.00 0.00 C ATOM 387 O HIS A 28 4.219 2.664 3.920 1.00 0.00 O ATOM 388 CB HIS A 28 1.975 0.089 4.105 1.00 0.00 C ATOM 389 CG HIS A 28 3.311 -0.586 4.166 1.00 0.00 C ATOM 390 ND1 HIS A 28 3.824 -1.136 5.322 1.00 0.00 N ATOM 391 CD2 HIS A 28 4.240 -0.799 3.205 1.00 0.00 C ATOM 392 CE1 HIS A 28 5.011 -1.657 5.069 1.00 0.00 C ATOM 393 NE2 HIS A 28 5.287 -1.466 3.791 1.00 0.00 N ATOM 0 H HIS A 28 0.166 1.471 3.148 1.00 0.00 H new ATOM 0 HA HIS A 28 2.078 2.016 5.046 1.00 0.00 H new ATOM 0 HB2 HIS A 28 1.395 -0.192 4.984 1.00 0.00 H new ATOM 0 HB3 HIS A 28 1.432 -0.277 3.234 1.00 0.00 H new ATOM 0 HD1 HIS A 28 3.359 -1.140 6.230 1.00 0.00 H new ATOM 0 HD2 HIS A 28 4.170 -0.500 2.170 1.00 0.00 H new ATOM 0 HE1 HIS A 28 5.648 -2.155 5.785 1.00 0.00 H new ATOM 401 N ILE A 29 3.463 1.661 2.052 1.00 0.00 N ATOM 402 CA ILE A 29 4.643 1.995 1.265 1.00 0.00 C ATOM 403 C ILE A 29 5.041 3.454 1.462 1.00 0.00 C ATOM 404 O ILE A 29 6.225 3.788 1.494 1.00 0.00 O ATOM 405 CB ILE A 29 4.410 1.737 -0.236 1.00 0.00 C ATOM 406 CG1 ILE A 29 4.250 0.238 -0.499 1.00 0.00 C ATOM 407 CG2 ILE A 29 5.558 2.305 -1.056 1.00 0.00 C ATOM 408 CD1 ILE A 29 3.716 -0.080 -1.878 1.00 0.00 C ATOM 0 H ILE A 29 2.753 1.133 1.545 1.00 0.00 H new ATOM 0 HA ILE A 29 5.449 1.350 1.616 1.00 0.00 H new ATOM 0 HB ILE A 29 3.491 2.240 -0.538 1.00 0.00 H new ATOM 0 HG12 ILE A 29 5.216 -0.250 -0.371 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.578 -0.184 0.248 1.00 0.00 H new ATOM 0 HG21 ILE A 29 5.378 2.115 -2.114 1.00 0.00 H new ATOM 0 HG22 ILE A 29 5.629 3.380 -0.888 1.00 0.00 H new ATOM 0 HG23 ILE A 29 6.491 1.828 -0.755 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.628 -1.160 -1.994 1.00 0.00 H new ATOM 0 HD12 ILE A 29 2.735 0.379 -2.003 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.399 0.312 -2.632 1.00 0.00 H new ATOM 420 N LYS A 30 4.043 4.321 1.596 1.00 0.00 N ATOM 421 CA LYS A 30 4.286 5.745 1.794 1.00 0.00 C ATOM 422 C LYS A 30 4.911 6.005 3.161 1.00 0.00 C ATOM 423 O LYS A 30 6.026 6.518 3.259 1.00 0.00 O ATOM 424 CB LYS A 30 2.980 6.530 1.660 1.00 0.00 C ATOM 425 CG LYS A 30 3.156 8.032 1.801 1.00 0.00 C ATOM 426 CD LYS A 30 2.073 8.794 1.056 1.00 0.00 C ATOM 427 CE LYS A 30 2.439 8.997 -0.406 1.00 0.00 C ATOM 428 NZ LYS A 30 1.282 9.488 -1.205 1.00 0.00 N ATOM 0 H LYS A 30 3.057 4.062 1.571 1.00 0.00 H new ATOM 0 HA LYS A 30 4.983 6.080 1.026 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.534 6.314 0.689 1.00 0.00 H new ATOM 0 HB3 LYS A 30 2.277 6.182 2.417 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.133 8.304 2.856 1.00 0.00 H new ATOM 0 HG3 LYS A 30 4.135 8.322 1.418 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.131 8.249 1.124 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.916 9.763 1.531 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.260 9.711 -0.479 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.796 8.056 -0.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 1.573 9.614 -2.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 0.508 8.795 -1.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 0.957 10.398 -0.822 1.00 0.00 H new ATOM 442 N THR A 31 4.185 5.647 4.216 1.00 0.00 N ATOM 443 CA THR A 31 4.667 5.842 5.577 1.00 0.00 C ATOM 444 C THR A 31 5.943 5.046 5.827 1.00 0.00 C ATOM 445 O THR A 31 6.981 5.612 6.169 1.00 0.00 O ATOM 446 CB THR A 31 3.606 5.427 6.614 1.00 0.00 C ATOM 447 OG1 THR A 31 2.765 4.404 6.071 1.00 0.00 O ATOM 448 CG2 THR A 31 2.759 6.621 7.028 1.00 0.00 C ATOM 0 H THR A 31 3.261 5.220 4.153 1.00 0.00 H new ATOM 0 HA THR A 31 4.877 6.906 5.689 1.00 0.00 H new ATOM 0 HB THR A 31 4.120 5.044 7.495 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.094 4.144 6.737 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.017 6.304 7.761 1.00 0.00 H new ATOM 0 HG22 THR A 31 3.399 7.386 7.467 1.00 0.00 H new ATOM 0 HG23 THR A 31 2.254 7.029 6.153 1.00 0.00 H new ATOM 456 N ASN A 32 5.859 3.731 5.654 1.00 0.00 N ATOM 457 CA ASN A 32 7.008 2.858 5.860 1.00 0.00 C ATOM 458 C ASN A 32 8.197 3.315 5.021 1.00 0.00 C ATOM 459 O ASN A 32 9.308 3.468 5.529 1.00 0.00 O ATOM 460 CB ASN A 32 6.647 1.413 5.509 1.00 0.00 C ATOM 461 CG ASN A 32 5.918 0.709 6.637 1.00 0.00 C ATOM 462 OD1 ASN A 32 6.369 -0.323 7.134 1.00 0.00 O ATOM 463 ND2 ASN A 32 4.783 1.265 7.046 1.00 0.00 N ATOM 0 H ASN A 32 5.007 3.247 5.372 1.00 0.00 H new ATOM 0 HA ASN A 32 7.288 2.910 6.912 1.00 0.00 H new ATOM 0 HB2 ASN A 32 6.023 1.404 4.615 1.00 0.00 H new ATOM 0 HB3 ASN A 32 7.556 0.862 5.268 1.00 0.00 H new ATOM 0 HD21 ASN A 32 4.248 0.836 7.801 1.00 0.00 H new ATOM 0 HD22 ASN A 32 4.447 2.121 6.605 1.00 0.00 H new ATOM 470 N HIS A 33 7.956 3.533 3.732 1.00 0.00 N ATOM 471 CA HIS A 33 9.006 3.974 2.821 1.00 0.00 C ATOM 472 C HIS A 33 8.573 5.220 2.055 1.00 0.00 C ATOM 473 O HIS A 33 8.105 5.149 0.919 1.00 0.00 O ATOM 474 CB HIS A 33 9.362 2.857 1.840 1.00 0.00 C ATOM 475 CG HIS A 33 9.227 1.483 2.421 1.00 0.00 C ATOM 476 ND1 HIS A 33 10.176 0.919 3.248 1.00 0.00 N ATOM 477 CD2 HIS A 33 8.246 0.560 2.293 1.00 0.00 C ATOM 478 CE1 HIS A 33 9.784 -0.292 3.602 1.00 0.00 C ATOM 479 NE2 HIS A 33 8.616 -0.534 3.036 1.00 0.00 N ATOM 0 H HIS A 33 7.042 3.411 3.295 1.00 0.00 H new ATOM 0 HA HIS A 33 9.887 4.221 3.414 1.00 0.00 H new ATOM 0 HB2 HIS A 33 8.719 2.936 0.963 1.00 0.00 H new ATOM 0 HB3 HIS A 33 10.387 2.999 1.498 1.00 0.00 H new ATOM 0 HD1 HIS A 33 11.045 1.367 3.540 1.00 0.00 H new ATOM 0 HD2 HIS A 33 7.340 0.664 1.714 1.00 0.00 H new ATOM 0 HE1 HIS A 33 10.327 -0.969 4.245 1.00 0.00 H new ATOM 487 N PRO A 34 8.731 6.391 2.691 1.00 0.00 N ATOM 488 CA PRO A 34 8.362 7.675 2.088 1.00 0.00 C ATOM 489 C PRO A 34 9.286 8.063 0.939 1.00 0.00 C ATOM 490 O PRO A 34 8.952 8.924 0.126 1.00 0.00 O ATOM 491 CB PRO A 34 8.506 8.665 3.247 1.00 0.00 C ATOM 492 CG PRO A 34 9.497 8.034 4.163 1.00 0.00 C ATOM 493 CD PRO A 34 9.283 6.551 4.047 1.00 0.00 C ATOM 0 HA PRO A 34 7.363 7.649 1.653 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.854 9.637 2.897 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.552 8.829 3.748 1.00 0.00 H new ATOM 0 HG2 PRO A 34 10.515 8.304 3.882 1.00 0.00 H new ATOM 0 HG3 PRO A 34 9.349 8.370 5.189 1.00 0.00 H new ATOM 0 HD2 PRO A 34 10.215 6.000 4.169 1.00 0.00 H new ATOM 0 HD3 PRO A 34 8.594 6.184 4.807 1.00 0.00 H new ATOM 501 N GLU A 35 10.449 7.421 0.878 1.00 0.00 N ATOM 502 CA GLU A 35 11.420 7.701 -0.173 1.00 0.00 C ATOM 503 C GLU A 35 11.078 6.936 -1.448 1.00 0.00 C ATOM 504 O GLU A 35 11.923 6.760 -2.326 1.00 0.00 O ATOM 505 CB GLU A 35 12.830 7.331 0.294 1.00 0.00 C ATOM 506 CG GLU A 35 13.059 5.833 0.412 1.00 0.00 C ATOM 507 CD GLU A 35 14.420 5.495 0.987 1.00 0.00 C ATOM 508 OE1 GLU A 35 15.001 6.353 1.684 1.00 0.00 O ATOM 509 OE2 GLU A 35 14.905 4.370 0.740 1.00 0.00 O ATOM 0 H GLU A 35 10.741 6.705 1.543 1.00 0.00 H new ATOM 0 HA GLU A 35 11.385 8.769 -0.390 1.00 0.00 H new ATOM 0 HB2 GLU A 35 13.556 7.747 -0.405 1.00 0.00 H new ATOM 0 HB3 GLU A 35 13.017 7.796 1.262 1.00 0.00 H new ATOM 0 HG2 GLU A 35 12.284 5.399 1.044 1.00 0.00 H new ATOM 0 HG3 GLU A 35 12.961 5.375 -0.572 1.00 0.00 H new ATOM 516 N VAL A 36 9.832 6.482 -1.542 1.00 0.00 N ATOM 517 CA VAL A 36 9.376 5.737 -2.709 1.00 0.00 C ATOM 518 C VAL A 36 8.101 6.343 -3.285 1.00 0.00 C ATOM 519 O VAL A 36 7.490 5.781 -4.194 1.00 0.00 O ATOM 520 CB VAL A 36 9.118 4.258 -2.365 1.00 0.00 C ATOM 521 CG1 VAL A 36 7.809 4.107 -1.605 1.00 0.00 C ATOM 522 CG2 VAL A 36 9.112 3.410 -3.628 1.00 0.00 C ATOM 0 H VAL A 36 9.121 6.617 -0.824 1.00 0.00 H new ATOM 0 HA VAL A 36 10.171 5.796 -3.452 1.00 0.00 H new ATOM 0 HB VAL A 36 9.926 3.906 -1.723 1.00 0.00 H new ATOM 0 HG11 VAL A 36 7.644 3.055 -1.371 1.00 0.00 H new ATOM 0 HG12 VAL A 36 7.857 4.682 -0.680 1.00 0.00 H new ATOM 0 HG13 VAL A 36 6.987 4.475 -2.219 1.00 0.00 H new ATOM 0 HG21 VAL A 36 8.928 2.368 -3.366 1.00 0.00 H new ATOM 0 HG22 VAL A 36 8.326 3.760 -4.297 1.00 0.00 H new ATOM 0 HG23 VAL A 36 10.077 3.494 -4.127 1.00 0.00 H new ATOM 532 N SER A 37 7.706 7.494 -2.751 1.00 0.00 N ATOM 533 CA SER A 37 6.501 8.175 -3.209 1.00 0.00 C ATOM 534 C SER A 37 6.798 9.041 -4.430 1.00 0.00 C ATOM 535 O SER A 37 7.752 9.817 -4.401 1.00 0.00 O ATOM 536 CB SER A 37 5.919 9.038 -2.088 1.00 0.00 C ATOM 537 OG SER A 37 6.633 10.255 -1.958 1.00 0.00 O ATOM 0 H SER A 37 8.203 7.974 -2.001 1.00 0.00 H new ATOM 0 HA SER A 37 5.770 7.417 -3.491 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.870 9.249 -2.295 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.955 8.490 -1.147 1.00 0.00 H new ATOM 0 HG SER A 37 7.244 10.358 -2.717 1.00 0.00 H new TER 543 SER A 37 HETATM 544 ZN ZN A 181 7.144 -1.967 2.940 1.00 0.00 ZN