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 9 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -116:sc= 0.052 (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= -0.284 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 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -1.74 X(o=-1.7,f=-1.9) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.937 -21.300 -1.874 1.00 0.00 N ATOM 2 CA GLY A 1 -8.429 -19.975 -2.203 1.00 0.00 C ATOM 3 C GLY A 1 -9.092 -19.924 -3.565 1.00 0.00 C ATOM 4 O GLY A 1 -8.834 -20.771 -4.420 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.452 -21.666 -1.048 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.085 -21.936 -2.683 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.922 -21.249 -1.655 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.143 -19.657 -1.443 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.601 -19.267 -2.179 1.00 0.00 H new ATOM 8 N SER A 2 -9.951 -18.930 -3.766 1.00 0.00 N ATOM 9 CA SER A 2 -10.658 -18.775 -5.032 1.00 0.00 C ATOM 10 C SER A 2 -9.997 -17.707 -5.897 1.00 0.00 C ATOM 11 O SER A 2 -9.157 -16.942 -5.423 1.00 0.00 O ATOM 12 CB SER A 2 -12.123 -18.411 -4.781 1.00 0.00 C ATOM 13 OG SER A 2 -12.938 -18.794 -5.875 1.00 0.00 O ATOM 0 H SER A 2 -10.174 -18.220 -3.069 1.00 0.00 H new ATOM 0 HA SER A 2 -10.613 -19.726 -5.563 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.473 -18.903 -3.873 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.211 -17.337 -4.616 1.00 0.00 H new ATOM 0 HG SER A 2 -13.869 -18.552 -5.689 1.00 0.00 H new ATOM 19 N SER A 3 -10.383 -17.660 -7.168 1.00 0.00 N ATOM 20 CA SER A 3 -9.826 -16.688 -8.101 1.00 0.00 C ATOM 21 C SER A 3 -10.916 -16.110 -8.998 1.00 0.00 C ATOM 22 O SER A 3 -11.816 -16.823 -9.440 1.00 0.00 O ATOM 23 CB SER A 3 -8.737 -17.338 -8.957 1.00 0.00 C ATOM 24 OG SER A 3 -7.946 -16.358 -9.606 1.00 0.00 O ATOM 0 H SER A 3 -11.080 -18.284 -7.575 1.00 0.00 H new ATOM 0 HA SER A 3 -9.387 -15.875 -7.522 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.103 -17.965 -8.330 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.195 -17.991 -9.700 1.00 0.00 H new ATOM 0 HG SER A 3 -7.256 -16.799 -10.145 1.00 0.00 H new ATOM 30 N GLY A 4 -10.828 -14.810 -9.263 1.00 0.00 N ATOM 31 CA GLY A 4 -11.812 -14.156 -10.106 1.00 0.00 C ATOM 32 C GLY A 4 -12.135 -12.751 -9.637 1.00 0.00 C ATOM 33 O GLY A 4 -11.916 -11.781 -10.363 1.00 0.00 O ATOM 0 H GLY A 4 -10.093 -14.198 -8.909 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.441 -14.118 -11.130 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.726 -14.750 -10.121 1.00 0.00 H new ATOM 37 N SER A 5 -12.659 -12.640 -8.420 1.00 0.00 N ATOM 38 CA SER A 5 -13.018 -11.344 -7.858 1.00 0.00 C ATOM 39 C SER A 5 -12.002 -10.908 -6.806 1.00 0.00 C ATOM 40 O SER A 5 -11.824 -11.573 -5.786 1.00 0.00 O ATOM 41 CB SER A 5 -14.416 -11.402 -7.239 1.00 0.00 C ATOM 42 OG SER A 5 -15.416 -11.457 -8.242 1.00 0.00 O ATOM 0 H SER A 5 -12.844 -13.432 -7.805 1.00 0.00 H new ATOM 0 HA SER A 5 -13.016 -10.612 -8.666 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.495 -12.277 -6.594 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.575 -10.526 -6.610 1.00 0.00 H new ATOM 0 HG SER A 5 -16.300 -11.495 -7.821 1.00 0.00 H new ATOM 48 N SER A 6 -11.339 -9.785 -7.063 1.00 0.00 N ATOM 49 CA SER A 6 -10.338 -9.261 -6.142 1.00 0.00 C ATOM 50 C SER A 6 -9.490 -10.389 -5.562 1.00 0.00 C ATOM 51 O SER A 6 -9.098 -10.350 -4.396 1.00 0.00 O ATOM 52 CB SER A 6 -11.013 -8.482 -5.011 1.00 0.00 C ATOM 53 OG SER A 6 -11.984 -9.277 -4.353 1.00 0.00 O ATOM 0 H SER A 6 -11.477 -9.221 -7.901 1.00 0.00 H new ATOM 0 HA SER A 6 -9.685 -8.588 -6.698 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.262 -8.152 -4.294 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.485 -7.586 -5.414 1.00 0.00 H new ATOM 0 HG SER A 6 -12.400 -8.757 -3.634 1.00 0.00 H new ATOM 59 N GLY A 7 -9.209 -11.394 -6.386 1.00 0.00 N ATOM 60 CA GLY A 7 -8.410 -12.519 -5.939 1.00 0.00 C ATOM 61 C GLY A 7 -7.034 -12.100 -5.460 1.00 0.00 C ATOM 62 O GLY A 7 -6.851 -11.772 -4.288 1.00 0.00 O ATOM 0 H GLY A 7 -9.521 -11.449 -7.356 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.931 -13.033 -5.131 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.305 -13.233 -6.756 1.00 0.00 H new ATOM 66 N ARG A 8 -6.065 -12.110 -6.369 1.00 0.00 N ATOM 67 CA ARG A 8 -4.698 -11.731 -6.032 1.00 0.00 C ATOM 68 C ARG A 8 -4.680 -10.469 -5.174 1.00 0.00 C ATOM 69 O ARG A 8 -5.541 -9.601 -5.311 1.00 0.00 O ATOM 70 CB ARG A 8 -3.880 -11.506 -7.305 1.00 0.00 C ATOM 71 CG ARG A 8 -4.197 -10.196 -8.009 1.00 0.00 C ATOM 72 CD ARG A 8 -5.582 -10.221 -8.636 1.00 0.00 C ATOM 73 NE ARG A 8 -5.886 -8.979 -9.342 1.00 0.00 N ATOM 74 CZ ARG A 8 -5.346 -8.646 -10.509 1.00 0.00 C ATOM 75 NH1 ARG A 8 -4.479 -9.459 -11.098 1.00 0.00 N ATOM 76 NH2 ARG A 8 -5.672 -7.498 -11.089 1.00 0.00 N ATOM 0 H ARG A 8 -6.201 -12.376 -7.344 1.00 0.00 H new ATOM 0 HA ARG A 8 -4.252 -12.545 -5.461 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -2.820 -11.526 -7.054 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -4.060 -12.332 -7.993 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -4.134 -9.374 -7.296 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -3.451 -10.006 -8.780 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -5.651 -11.059 -9.330 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -6.328 -10.389 -7.860 1.00 0.00 H new ATOM 0 HE ARG A 8 -6.549 -8.332 -8.916 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -4.226 -10.342 -10.655 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -4.066 -9.201 -11.994 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -6.338 -6.870 -10.639 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -5.257 -7.243 -11.985 1.00 0.00 H new ATOM 90 N SER A 9 -3.693 -10.376 -4.288 1.00 0.00 N ATOM 91 CA SER A 9 -3.565 -9.223 -3.404 1.00 0.00 C ATOM 92 C SER A 9 -2.296 -8.437 -3.717 1.00 0.00 C ATOM 93 O SER A 9 -1.349 -8.970 -4.296 1.00 0.00 O ATOM 94 CB SER A 9 -3.552 -9.674 -1.942 1.00 0.00 C ATOM 95 OG SER A 9 -4.723 -10.405 -1.624 1.00 0.00 O ATOM 0 H SER A 9 -2.971 -11.085 -4.163 1.00 0.00 H new ATOM 0 HA SER A 9 -4.424 -8.573 -3.569 1.00 0.00 H new ATOM 0 HB2 SER A 9 -2.673 -10.291 -1.756 1.00 0.00 H new ATOM 0 HB3 SER A 9 -3.474 -8.804 -1.290 1.00 0.00 H new ATOM 0 HG SER A 9 -4.690 -10.683 -0.685 1.00 0.00 H new ATOM 101 N TYR A 10 -2.284 -7.167 -3.330 1.00 0.00 N ATOM 102 CA TYR A 10 -1.133 -6.305 -3.571 1.00 0.00 C ATOM 103 C TYR A 10 -0.023 -6.583 -2.562 1.00 0.00 C ATOM 104 O TYR A 10 -0.190 -6.362 -1.362 1.00 0.00 O ATOM 105 CB TYR A 10 -1.547 -4.834 -3.498 1.00 0.00 C ATOM 106 CG TYR A 10 -2.368 -4.376 -4.682 1.00 0.00 C ATOM 107 CD1 TYR A 10 -1.755 -3.917 -5.842 1.00 0.00 C ATOM 108 CD2 TYR A 10 -3.756 -4.404 -4.642 1.00 0.00 C ATOM 109 CE1 TYR A 10 -2.502 -3.497 -6.926 1.00 0.00 C ATOM 110 CE2 TYR A 10 -4.511 -3.988 -5.722 1.00 0.00 C ATOM 111 CZ TYR A 10 -3.879 -3.535 -6.861 1.00 0.00 C ATOM 112 OH TYR A 10 -4.626 -3.119 -7.939 1.00 0.00 O ATOM 0 H TYR A 10 -3.059 -6.711 -2.848 1.00 0.00 H new ATOM 0 HA TYR A 10 -0.753 -6.520 -4.570 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -2.120 -4.671 -2.585 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -0.652 -4.216 -3.427 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -0.677 -3.888 -5.897 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -4.254 -4.757 -3.751 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -2.010 -3.141 -7.819 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -5.590 -4.017 -5.674 1.00 0.00 H new ATOM 0 HH TYR A 10 -5.579 -3.210 -7.731 1.00 0.00 H new ATOM 122 N SER A 11 1.110 -7.069 -3.057 1.00 0.00 N ATOM 123 CA SER A 11 2.248 -7.381 -2.200 1.00 0.00 C ATOM 124 C SER A 11 3.254 -6.235 -2.194 1.00 0.00 C ATOM 125 O SER A 11 3.344 -5.467 -3.152 1.00 0.00 O ATOM 126 CB SER A 11 2.927 -8.670 -2.668 1.00 0.00 C ATOM 127 OG SER A 11 2.068 -9.785 -2.512 1.00 0.00 O ATOM 0 H SER A 11 1.265 -7.256 -4.048 1.00 0.00 H new ATOM 0 HA SER A 11 1.879 -7.522 -1.184 1.00 0.00 H new ATOM 0 HB2 SER A 11 3.216 -8.573 -3.715 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.842 -8.830 -2.098 1.00 0.00 H new ATOM 0 HG SER A 11 2.525 -10.596 -2.820 1.00 0.00 H new ATOM 133 N CYS A 12 4.010 -6.125 -1.107 1.00 0.00 N ATOM 134 CA CYS A 12 5.010 -5.073 -0.973 1.00 0.00 C ATOM 135 C CYS A 12 6.391 -5.581 -1.379 1.00 0.00 C ATOM 136 O CYS A 12 7.050 -6.317 -0.644 1.00 0.00 O ATOM 137 CB CYS A 12 5.048 -4.556 0.467 1.00 0.00 C ATOM 138 SG CYS A 12 5.925 -2.972 0.665 1.00 0.00 S ATOM 0 H CYS A 12 3.949 -6.753 -0.305 1.00 0.00 H new ATOM 0 HA CYS A 12 4.732 -4.255 -1.638 1.00 0.00 H new ATOM 0 HB2 CYS A 12 4.026 -4.441 0.827 1.00 0.00 H new ATOM 0 HB3 CYS A 12 5.526 -5.305 1.098 1.00 0.00 H new ATOM 143 N PRO A 13 6.840 -5.180 -2.577 1.00 0.00 N ATOM 144 CA PRO A 13 8.146 -5.581 -3.108 1.00 0.00 C ATOM 145 C PRO A 13 9.303 -4.938 -2.350 1.00 0.00 C ATOM 146 O PRO A 13 10.469 -5.137 -2.691 1.00 0.00 O ATOM 147 CB PRO A 13 8.110 -5.081 -4.554 1.00 0.00 C ATOM 148 CG PRO A 13 7.141 -3.950 -4.540 1.00 0.00 C ATOM 149 CD PRO A 13 6.108 -4.303 -3.506 1.00 0.00 C ATOM 0 HA PRO A 13 8.310 -6.655 -3.018 1.00 0.00 H new ATOM 0 HB2 PRO A 13 9.096 -4.754 -4.884 1.00 0.00 H new ATOM 0 HB3 PRO A 13 7.790 -5.868 -5.237 1.00 0.00 H new ATOM 0 HG2 PRO A 13 7.639 -3.013 -4.291 1.00 0.00 H new ATOM 0 HG3 PRO A 13 6.683 -3.817 -5.520 1.00 0.00 H new ATOM 0 HD2 PRO A 13 5.724 -3.416 -3.003 1.00 0.00 H new ATOM 0 HD3 PRO A 13 5.253 -4.813 -3.950 1.00 0.00 H new ATOM 157 N VAL A 14 8.972 -4.166 -1.320 1.00 0.00 N ATOM 158 CA VAL A 14 9.983 -3.494 -0.512 1.00 0.00 C ATOM 159 C VAL A 14 10.361 -4.332 0.704 1.00 0.00 C ATOM 160 O VAL A 14 11.534 -4.636 0.922 1.00 0.00 O ATOM 161 CB VAL A 14 9.496 -2.112 -0.039 1.00 0.00 C ATOM 162 CG1 VAL A 14 10.569 -1.423 0.791 1.00 0.00 C ATOM 163 CG2 VAL A 14 9.097 -1.252 -1.228 1.00 0.00 C ATOM 0 H VAL A 14 8.011 -3.990 -1.025 1.00 0.00 H new ATOM 0 HA VAL A 14 10.860 -3.364 -1.146 1.00 0.00 H new ATOM 0 HB VAL A 14 8.617 -2.252 0.590 1.00 0.00 H new ATOM 0 HG11 VAL A 14 10.207 -0.448 1.116 1.00 0.00 H new ATOM 0 HG12 VAL A 14 10.802 -2.033 1.664 1.00 0.00 H new ATOM 0 HG13 VAL A 14 11.468 -1.294 0.188 1.00 0.00 H new ATOM 0 HG21 VAL A 14 8.755 -0.279 -0.875 1.00 0.00 H new ATOM 0 HG22 VAL A 14 9.956 -1.118 -1.885 1.00 0.00 H new ATOM 0 HG23 VAL A 14 8.293 -1.741 -1.777 1.00 0.00 H new ATOM 173 N CYS A 15 9.359 -4.704 1.494 1.00 0.00 N ATOM 174 CA CYS A 15 9.584 -5.507 2.689 1.00 0.00 C ATOM 175 C CYS A 15 8.907 -6.869 2.565 1.00 0.00 C ATOM 176 O CYS A 15 8.453 -7.439 3.556 1.00 0.00 O ATOM 177 CB CYS A 15 9.061 -4.776 3.927 1.00 0.00 C ATOM 178 SG CYS A 15 7.312 -4.280 3.813 1.00 0.00 S ATOM 0 H CYS A 15 8.382 -4.461 1.327 1.00 0.00 H new ATOM 0 HA CYS A 15 10.658 -5.663 2.794 1.00 0.00 H new ATOM 0 HB2 CYS A 15 9.189 -5.420 4.797 1.00 0.00 H new ATOM 0 HB3 CYS A 15 9.669 -3.887 4.095 1.00 0.00 H new ATOM 183 N GLU A 16 8.843 -7.383 1.341 1.00 0.00 N ATOM 184 CA GLU A 16 8.221 -8.677 1.087 1.00 0.00 C ATOM 185 C GLU A 16 6.992 -8.871 1.971 1.00 0.00 C ATOM 186 O GLU A 16 6.844 -9.900 2.632 1.00 0.00 O ATOM 187 CB GLU A 16 9.223 -9.806 1.333 1.00 0.00 C ATOM 188 CG GLU A 16 8.862 -11.104 0.629 1.00 0.00 C ATOM 189 CD GLU A 16 9.601 -12.300 1.196 1.00 0.00 C ATOM 190 OE1 GLU A 16 10.780 -12.142 1.578 1.00 0.00 O ATOM 191 OE2 GLU A 16 9.002 -13.394 1.257 1.00 0.00 O ATOM 0 H GLU A 16 9.214 -6.923 0.510 1.00 0.00 H new ATOM 0 HA GLU A 16 7.906 -8.702 0.044 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.210 -9.484 1.000 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.293 -9.991 2.405 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.788 -11.272 0.713 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.088 -11.012 -0.433 1.00 0.00 H new ATOM 198 N LYS A 17 6.112 -7.876 1.977 1.00 0.00 N ATOM 199 CA LYS A 17 4.894 -7.936 2.778 1.00 0.00 C ATOM 200 C LYS A 17 3.676 -8.192 1.897 1.00 0.00 C ATOM 201 O LYS A 17 3.786 -8.256 0.673 1.00 0.00 O ATOM 202 CB LYS A 17 4.708 -6.632 3.558 1.00 0.00 C ATOM 203 CG LYS A 17 3.745 -6.754 4.726 1.00 0.00 C ATOM 204 CD LYS A 17 4.063 -5.748 5.819 1.00 0.00 C ATOM 205 CE LYS A 17 3.270 -6.031 7.085 1.00 0.00 C ATOM 206 NZ LYS A 17 3.944 -5.485 8.296 1.00 0.00 N ATOM 0 H LYS A 17 6.219 -7.018 1.436 1.00 0.00 H new ATOM 0 HA LYS A 17 4.991 -8.763 3.482 1.00 0.00 H new ATOM 0 HB2 LYS A 17 5.677 -6.300 3.930 1.00 0.00 H new ATOM 0 HB3 LYS A 17 4.346 -5.860 2.878 1.00 0.00 H new ATOM 0 HG2 LYS A 17 2.725 -6.600 4.375 1.00 0.00 H new ATOM 0 HG3 LYS A 17 3.793 -7.763 5.134 1.00 0.00 H new ATOM 0 HD2 LYS A 17 5.129 -5.777 6.042 1.00 0.00 H new ATOM 0 HD3 LYS A 17 3.839 -4.742 5.465 1.00 0.00 H new ATOM 0 HE2 LYS A 17 2.275 -5.595 6.995 1.00 0.00 H new ATOM 0 HE3 LYS A 17 3.137 -7.107 7.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 3.372 -5.699 9.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 4.883 -5.920 8.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 4.048 -4.455 8.201 1.00 0.00 H new ATOM 220 N SER A 18 2.515 -8.338 2.528 1.00 0.00 N ATOM 221 CA SER A 18 1.276 -8.590 1.801 1.00 0.00 C ATOM 222 C SER A 18 0.143 -7.725 2.344 1.00 0.00 C ATOM 223 O SER A 18 0.147 -7.338 3.513 1.00 0.00 O ATOM 224 CB SER A 18 0.896 -10.069 1.898 1.00 0.00 C ATOM 225 OG SER A 18 -0.273 -10.345 1.145 1.00 0.00 O ATOM 0 H SER A 18 2.407 -8.286 3.541 1.00 0.00 H new ATOM 0 HA SER A 18 1.437 -8.331 0.754 1.00 0.00 H new ATOM 0 HB2 SER A 18 1.720 -10.684 1.536 1.00 0.00 H new ATOM 0 HB3 SER A 18 0.732 -10.338 2.941 1.00 0.00 H new ATOM 0 HG SER A 18 -0.494 -11.297 1.222 1.00 0.00 H new ATOM 231 N PHE A 19 -0.827 -7.426 1.486 1.00 0.00 N ATOM 232 CA PHE A 19 -1.968 -6.606 1.877 1.00 0.00 C ATOM 233 C PHE A 19 -3.206 -6.975 1.066 1.00 0.00 C ATOM 234 O PHE A 19 -3.197 -6.914 -0.163 1.00 0.00 O ATOM 235 CB PHE A 19 -1.644 -5.122 1.690 1.00 0.00 C ATOM 236 CG PHE A 19 -0.586 -4.617 2.628 1.00 0.00 C ATOM 237 CD1 PHE A 19 -0.925 -4.135 3.882 1.00 0.00 C ATOM 238 CD2 PHE A 19 0.749 -4.622 2.255 1.00 0.00 C ATOM 239 CE1 PHE A 19 0.047 -3.669 4.747 1.00 0.00 C ATOM 240 CE2 PHE A 19 1.725 -4.158 3.116 1.00 0.00 C ATOM 241 CZ PHE A 19 1.374 -3.680 4.363 1.00 0.00 C ATOM 0 H PHE A 19 -0.846 -7.739 0.515 1.00 0.00 H new ATOM 0 HA PHE A 19 -2.176 -6.795 2.930 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.317 -4.956 0.663 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.554 -4.539 1.833 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -1.961 -4.123 4.187 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.030 -4.993 1.280 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.231 -3.297 5.722 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.762 -4.169 2.814 1.00 0.00 H new ATOM 0 HZ PHE A 19 2.135 -3.315 5.037 1.00 0.00 H new ATOM 251 N SER A 20 -4.271 -7.358 1.764 1.00 0.00 N ATOM 252 CA SER A 20 -5.516 -7.741 1.109 1.00 0.00 C ATOM 253 C SER A 20 -6.372 -6.514 0.809 1.00 0.00 C ATOM 254 O SER A 20 -7.599 -6.596 0.766 1.00 0.00 O ATOM 255 CB SER A 20 -6.299 -8.720 1.987 1.00 0.00 C ATOM 256 OG SER A 20 -5.605 -9.948 2.126 1.00 0.00 O ATOM 0 H SER A 20 -4.296 -7.411 2.782 1.00 0.00 H new ATOM 0 HA SER A 20 -5.267 -8.228 0.166 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.465 -8.279 2.970 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.281 -8.901 1.549 1.00 0.00 H new ATOM 0 HG SER A 20 -6.125 -10.555 2.693 1.00 0.00 H new ATOM 262 N GLU A 21 -5.714 -5.378 0.602 1.00 0.00 N ATOM 263 CA GLU A 21 -6.414 -4.133 0.307 1.00 0.00 C ATOM 264 C GLU A 21 -5.522 -3.183 -0.487 1.00 0.00 C ATOM 265 O GLU A 21 -4.296 -3.268 -0.426 1.00 0.00 O ATOM 266 CB GLU A 21 -6.870 -3.459 1.602 1.00 0.00 C ATOM 267 CG GLU A 21 -8.229 -3.934 2.090 1.00 0.00 C ATOM 268 CD GLU A 21 -8.763 -3.097 3.236 1.00 0.00 C ATOM 269 OE1 GLU A 21 -7.956 -2.681 4.094 1.00 0.00 O ATOM 270 OE2 GLU A 21 -9.988 -2.858 3.275 1.00 0.00 O ATOM 0 H GLU A 21 -4.698 -5.294 0.633 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.289 -4.372 -0.297 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.129 -3.645 2.379 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.905 -2.381 1.447 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.938 -3.905 1.263 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.153 -4.974 2.409 1.00 0.00 H new ATOM 277 N ASP A 22 -6.148 -2.279 -1.233 1.00 0.00 N ATOM 278 CA ASP A 22 -5.413 -1.311 -2.039 1.00 0.00 C ATOM 279 C ASP A 22 -5.009 -0.102 -1.202 1.00 0.00 C ATOM 280 O ASP A 22 -3.930 0.463 -1.389 1.00 0.00 O ATOM 281 CB ASP A 22 -6.258 -0.862 -3.232 1.00 0.00 C ATOM 282 CG ASP A 22 -5.426 -0.208 -4.317 1.00 0.00 C ATOM 283 OD1 ASP A 22 -4.423 0.454 -3.979 1.00 0.00 O ATOM 284 OD2 ASP A 22 -5.778 -0.358 -5.506 1.00 0.00 O ATOM 0 H ASP A 22 -7.163 -2.196 -1.296 1.00 0.00 H new ATOM 0 HA ASP A 22 -4.508 -1.794 -2.407 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -6.780 -1.723 -3.648 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -7.020 -0.161 -2.891 1.00 0.00 H new ATOM 289 N ARG A 23 -5.881 0.292 -0.280 1.00 0.00 N ATOM 290 CA ARG A 23 -5.616 1.436 0.583 1.00 0.00 C ATOM 291 C ARG A 23 -4.503 1.120 1.578 1.00 0.00 C ATOM 292 O ARG A 23 -3.655 1.966 1.867 1.00 0.00 O ATOM 293 CB ARG A 23 -6.886 1.840 1.334 1.00 0.00 C ATOM 294 CG ARG A 23 -7.479 0.721 2.175 1.00 0.00 C ATOM 295 CD ARG A 23 -8.841 1.105 2.732 1.00 0.00 C ATOM 296 NE ARG A 23 -9.305 0.158 3.743 1.00 0.00 N ATOM 297 CZ ARG A 23 -10.314 0.404 4.571 1.00 0.00 C ATOM 298 NH1 ARG A 23 -10.962 1.559 4.508 1.00 0.00 N ATOM 299 NH2 ARG A 23 -10.677 -0.508 5.465 1.00 0.00 N ATOM 0 H ARG A 23 -6.777 -0.165 -0.112 1.00 0.00 H new ATOM 0 HA ARG A 23 -5.294 2.266 -0.045 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -6.661 2.689 1.980 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.632 2.176 0.614 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -7.573 -0.180 1.569 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -6.803 0.484 2.996 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -8.786 2.103 3.168 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -9.565 1.151 1.919 1.00 0.00 H new ATOM 0 HE ARG A 23 -8.828 -0.741 3.817 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -10.686 2.262 3.822 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -11.736 1.745 5.145 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -10.181 -1.398 5.516 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -11.452 -0.319 6.101 1.00 0.00 H new ATOM 313 N LEU A 24 -4.512 -0.102 2.100 1.00 0.00 N ATOM 314 CA LEU A 24 -3.504 -0.530 3.063 1.00 0.00 C ATOM 315 C LEU A 24 -2.111 -0.500 2.443 1.00 0.00 C ATOM 316 O LEU A 24 -1.184 0.088 3.002 1.00 0.00 O ATOM 317 CB LEU A 24 -3.819 -1.939 3.568 1.00 0.00 C ATOM 318 CG LEU A 24 -4.850 -2.034 4.693 1.00 0.00 C ATOM 319 CD1 LEU A 24 -5.087 -3.486 5.079 1.00 0.00 C ATOM 320 CD2 LEU A 24 -4.398 -1.225 5.900 1.00 0.00 C ATOM 0 H LEU A 24 -5.206 -0.814 1.872 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.523 0.164 3.904 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.173 -2.534 2.726 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.891 -2.395 3.913 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.791 -1.618 4.334 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.824 -3.534 5.881 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.456 -4.037 4.214 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.151 -3.929 5.419 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.144 -1.304 6.691 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.445 -1.611 6.260 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.281 -0.180 5.614 1.00 0.00 H new ATOM 332 N ILE A 25 -1.971 -1.134 1.284 1.00 0.00 N ATOM 333 CA ILE A 25 -0.691 -1.177 0.586 1.00 0.00 C ATOM 334 C ILE A 25 -0.233 0.224 0.193 1.00 0.00 C ATOM 335 O ILE A 25 0.936 0.575 0.355 1.00 0.00 O ATOM 336 CB ILE A 25 -0.768 -2.053 -0.678 1.00 0.00 C ATOM 337 CG1 ILE A 25 0.564 -2.020 -1.429 1.00 0.00 C ATOM 338 CG2 ILE A 25 -1.902 -1.586 -1.578 1.00 0.00 C ATOM 339 CD1 ILE A 25 1.633 -2.888 -0.802 1.00 0.00 C ATOM 0 H ILE A 25 -2.728 -1.625 0.808 1.00 0.00 H new ATOM 0 HA ILE A 25 0.031 -1.613 1.276 1.00 0.00 H new ATOM 0 HB ILE A 25 -0.969 -3.081 -0.378 1.00 0.00 H new ATOM 0 HG12 ILE A 25 0.401 -2.344 -2.457 1.00 0.00 H new ATOM 0 HG13 ILE A 25 0.922 -0.991 -1.473 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.943 -2.215 -2.467 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.847 -1.657 -1.039 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -1.729 -0.551 -1.873 1.00 0.00 H new ATOM 0 HD11 ILE A 25 2.550 -2.816 -1.387 1.00 0.00 H new ATOM 0 HD12 ILE A 25 1.825 -2.550 0.216 1.00 0.00 H new ATOM 0 HD13 ILE A 25 1.295 -3.924 -0.783 1.00 0.00 H new ATOM 351 N LYS A 26 -1.162 1.021 -0.322 1.00 0.00 N ATOM 352 CA LYS A 26 -0.856 2.386 -0.736 1.00 0.00 C ATOM 353 C LYS A 26 -0.350 3.211 0.442 1.00 0.00 C ATOM 354 O LYS A 26 0.714 3.827 0.370 1.00 0.00 O ATOM 355 CB LYS A 26 -2.096 3.048 -1.341 1.00 0.00 C ATOM 356 CG LYS A 26 -2.375 2.623 -2.772 1.00 0.00 C ATOM 357 CD LYS A 26 -1.648 3.509 -3.769 1.00 0.00 C ATOM 358 CE LYS A 26 -1.706 2.932 -5.175 1.00 0.00 C ATOM 359 NZ LYS A 26 -0.666 3.522 -6.061 1.00 0.00 N ATOM 0 H LYS A 26 -2.134 0.746 -0.463 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.071 2.343 -1.491 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.962 2.809 -0.724 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -1.971 4.130 -1.310 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.066 1.587 -2.912 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.448 2.664 -2.962 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -2.093 4.504 -3.765 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.608 3.623 -3.464 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.573 1.851 -5.129 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -2.692 3.114 -5.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -0.739 3.102 -7.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -0.807 4.550 -6.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 0.277 3.326 -5.668 1.00 0.00 H new ATOM 373 N SER A 27 -1.117 3.218 1.528 1.00 0.00 N ATOM 374 CA SER A 27 -0.747 3.969 2.721 1.00 0.00 C ATOM 375 C SER A 27 0.530 3.410 3.341 1.00 0.00 C ATOM 376 O SER A 27 1.417 4.161 3.747 1.00 0.00 O ATOM 377 CB SER A 27 -1.883 3.933 3.745 1.00 0.00 C ATOM 378 OG SER A 27 -1.593 4.760 4.859 1.00 0.00 O ATOM 0 H SER A 27 -1.999 2.711 1.606 1.00 0.00 H new ATOM 0 HA SER A 27 -0.565 5.003 2.427 1.00 0.00 H new ATOM 0 HB2 SER A 27 -2.810 4.262 3.276 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.042 2.908 4.081 1.00 0.00 H new ATOM 0 HG SER A 27 -2.335 4.721 5.498 1.00 0.00 H new ATOM 384 N HIS A 28 0.615 2.086 3.411 1.00 0.00 N ATOM 385 CA HIS A 28 1.784 1.424 3.981 1.00 0.00 C ATOM 386 C HIS A 28 3.070 1.967 3.366 1.00 0.00 C ATOM 387 O HIS A 28 3.836 2.670 4.026 1.00 0.00 O ATOM 388 CB HIS A 28 1.698 -0.087 3.762 1.00 0.00 C ATOM 389 CG HIS A 28 3.012 -0.790 3.916 1.00 0.00 C ATOM 390 ND1 HIS A 28 3.511 -1.191 5.137 1.00 0.00 N ATOM 391 CD2 HIS A 28 3.929 -1.163 2.994 1.00 0.00 C ATOM 392 CE1 HIS A 28 4.680 -1.781 4.960 1.00 0.00 C ATOM 393 NE2 HIS A 28 4.957 -1.777 3.668 1.00 0.00 N ATOM 0 H HIS A 28 -0.111 1.450 3.081 1.00 0.00 H new ATOM 0 HA HIS A 28 1.800 1.628 5.052 1.00 0.00 H new ATOM 0 HB2 HIS A 28 0.985 -0.509 4.470 1.00 0.00 H new ATOM 0 HB3 HIS A 28 1.307 -0.279 2.763 1.00 0.00 H new ATOM 0 HD1 HIS A 28 3.050 -1.054 6.036 1.00 0.00 H new ATOM 0 HD2 HIS A 28 3.865 -1.007 1.927 1.00 0.00 H new ATOM 0 HE1 HIS A 28 5.303 -2.196 5.739 1.00 0.00 H new ATOM 401 N ILE A 29 3.299 1.638 2.099 1.00 0.00 N ATOM 402 CA ILE A 29 4.492 2.093 1.396 1.00 0.00 C ATOM 403 C ILE A 29 4.721 3.585 1.611 1.00 0.00 C ATOM 404 O ILE A 29 5.856 4.034 1.772 1.00 0.00 O ATOM 405 CB ILE A 29 4.396 1.812 -0.115 1.00 0.00 C ATOM 406 CG1 ILE A 29 4.234 0.312 -0.368 1.00 0.00 C ATOM 407 CG2 ILE A 29 5.627 2.346 -0.832 1.00 0.00 C ATOM 408 CD1 ILE A 29 3.963 -0.031 -1.816 1.00 0.00 C ATOM 0 H ILE A 29 2.674 1.058 1.539 1.00 0.00 H new ATOM 0 HA ILE A 29 5.333 1.536 1.808 1.00 0.00 H new ATOM 0 HB ILE A 29 3.519 2.324 -0.510 1.00 0.00 H new ATOM 0 HG12 ILE A 29 5.139 -0.203 -0.044 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.416 -0.065 0.246 1.00 0.00 H new ATOM 0 HG21 ILE A 29 5.545 2.140 -1.899 1.00 0.00 H new ATOM 0 HG22 ILE A 29 5.701 3.422 -0.675 1.00 0.00 H new ATOM 0 HG23 ILE A 29 6.518 1.859 -0.436 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.859 -1.111 -1.921 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.042 0.455 -2.139 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.792 0.316 -2.433 1.00 0.00 H new ATOM 420 N LYS A 30 3.635 4.350 1.614 1.00 0.00 N ATOM 421 CA LYS A 30 3.715 5.793 1.812 1.00 0.00 C ATOM 422 C LYS A 30 4.636 6.131 2.980 1.00 0.00 C ATOM 423 O LYS A 30 5.702 6.718 2.794 1.00 0.00 O ATOM 424 CB LYS A 30 2.321 6.372 2.064 1.00 0.00 C ATOM 425 CG LYS A 30 2.158 7.800 1.575 1.00 0.00 C ATOM 426 CD LYS A 30 2.498 8.805 2.664 1.00 0.00 C ATOM 427 CE LYS A 30 3.970 9.185 2.631 1.00 0.00 C ATOM 428 NZ LYS A 30 4.194 10.578 3.107 1.00 0.00 N ATOM 0 H LYS A 30 2.688 3.995 1.481 1.00 0.00 H new ATOM 0 HA LYS A 30 4.128 6.237 0.906 1.00 0.00 H new ATOM 0 HB2 LYS A 30 1.581 5.742 1.572 1.00 0.00 H new ATOM 0 HB3 LYS A 30 2.110 6.337 3.133 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.802 7.966 0.712 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.132 7.957 1.242 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.887 9.699 2.539 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.251 8.384 3.639 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.538 8.493 3.253 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.349 9.083 1.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 5.210 10.799 3.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.673 11.241 2.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.856 10.669 4.086 1.00 0.00 H new ATOM 442 N THR A 31 4.218 5.756 4.186 1.00 0.00 N ATOM 443 CA THR A 31 5.005 6.019 5.384 1.00 0.00 C ATOM 444 C THR A 31 6.152 5.024 5.517 1.00 0.00 C ATOM 445 O THR A 31 7.318 5.411 5.579 1.00 0.00 O ATOM 446 CB THR A 31 4.135 5.956 6.653 1.00 0.00 C ATOM 447 OG1 THR A 31 3.049 6.883 6.549 1.00 0.00 O ATOM 448 CG2 THR A 31 4.960 6.270 7.891 1.00 0.00 C ATOM 0 H THR A 31 3.338 5.269 4.358 1.00 0.00 H new ATOM 0 HA THR A 31 5.411 7.025 5.281 1.00 0.00 H new ATOM 0 HB THR A 31 3.740 4.944 6.746 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.500 6.835 7.359 1.00 0.00 H new ATOM 0 HG21 THR A 31 4.324 6.219 8.775 1.00 0.00 H new ATOM 0 HG22 THR A 31 5.768 5.544 7.983 1.00 0.00 H new ATOM 0 HG23 THR A 31 5.380 7.272 7.804 1.00 0.00 H new ATOM 456 N ASN A 32 5.813 3.739 5.561 1.00 0.00 N ATOM 457 CA ASN A 32 6.815 2.688 5.687 1.00 0.00 C ATOM 458 C ASN A 32 7.999 2.950 4.760 1.00 0.00 C ATOM 459 O ASN A 32 9.155 2.795 5.154 1.00 0.00 O ATOM 460 CB ASN A 32 6.198 1.324 5.371 1.00 0.00 C ATOM 461 CG ASN A 32 5.270 0.841 6.469 1.00 0.00 C ATOM 462 OD1 ASN A 32 5.662 0.046 7.323 1.00 0.00 O ATOM 463 ND2 ASN A 32 4.032 1.321 6.451 1.00 0.00 N ATOM 0 H ASN A 32 4.852 3.401 5.511 1.00 0.00 H new ATOM 0 HA ASN A 32 7.175 2.687 6.716 1.00 0.00 H new ATOM 0 HB2 ASN A 32 5.646 1.387 4.433 1.00 0.00 H new ATOM 0 HB3 ASN A 32 6.994 0.594 5.224 1.00 0.00 H new ATOM 0 HD21 ASN A 32 3.363 1.032 7.164 1.00 0.00 H new ATOM 0 HD22 ASN A 32 3.750 1.978 5.724 1.00 0.00 H new ATOM 470 N HIS A 33 7.701 3.348 3.528 1.00 0.00 N ATOM 471 CA HIS A 33 8.739 3.633 2.544 1.00 0.00 C ATOM 472 C HIS A 33 8.477 4.965 1.848 1.00 0.00 C ATOM 473 O HIS A 33 7.814 5.032 0.813 1.00 0.00 O ATOM 474 CB HIS A 33 8.815 2.510 1.510 1.00 0.00 C ATOM 475 CG HIS A 33 8.460 1.163 2.062 1.00 0.00 C ATOM 476 ND1 HIS A 33 9.144 0.572 3.103 1.00 0.00 N ATOM 477 CD2 HIS A 33 7.484 0.293 1.712 1.00 0.00 C ATOM 478 CE1 HIS A 33 8.606 -0.605 3.368 1.00 0.00 C ATOM 479 NE2 HIS A 33 7.596 -0.798 2.538 1.00 0.00 N ATOM 0 H HIS A 33 6.749 3.481 3.187 1.00 0.00 H new ATOM 0 HA HIS A 33 9.693 3.698 3.068 1.00 0.00 H new ATOM 0 HB2 HIS A 33 8.145 2.743 0.683 1.00 0.00 H new ATOM 0 HB3 HIS A 33 9.825 2.471 1.101 1.00 0.00 H new ATOM 0 HD1 HIS A 33 9.941 0.980 3.592 1.00 0.00 H new ATOM 0 HD2 HIS A 33 6.753 0.431 0.929 1.00 0.00 H new ATOM 0 HE1 HIS A 33 8.936 -1.293 4.133 1.00 0.00 H new ATOM 487 N PRO A 34 9.010 6.052 2.427 1.00 0.00 N ATOM 488 CA PRO A 34 8.846 7.401 1.880 1.00 0.00 C ATOM 489 C PRO A 34 9.618 7.597 0.579 1.00 0.00 C ATOM 490 O PRO A 34 9.066 8.063 -0.417 1.00 0.00 O ATOM 491 CB PRO A 34 9.415 8.302 2.979 1.00 0.00 C ATOM 492 CG PRO A 34 10.379 7.438 3.716 1.00 0.00 C ATOM 493 CD PRO A 34 9.812 6.046 3.662 1.00 0.00 C ATOM 0 HA PRO A 34 7.807 7.615 1.630 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.910 9.177 2.557 1.00 0.00 H new ATOM 0 HB3 PRO A 34 8.628 8.668 3.638 1.00 0.00 H new ATOM 0 HG2 PRO A 34 11.367 7.475 3.257 1.00 0.00 H new ATOM 0 HG3 PRO A 34 10.494 7.773 4.747 1.00 0.00 H new ATOM 0 HD2 PRO A 34 10.599 5.293 3.626 1.00 0.00 H new ATOM 0 HD3 PRO A 34 9.200 5.827 4.537 1.00 0.00 H new ATOM 501 N GLU A 35 10.898 7.236 0.596 1.00 0.00 N ATOM 502 CA GLU A 35 11.744 7.372 -0.583 1.00 0.00 C ATOM 503 C GLU A 35 12.405 6.042 -0.936 1.00 0.00 C ATOM 504 O GLU A 35 12.680 5.764 -2.103 1.00 0.00 O ATOM 505 CB GLU A 35 12.816 8.440 -0.349 1.00 0.00 C ATOM 506 CG GLU A 35 12.386 9.532 0.616 1.00 0.00 C ATOM 507 CD GLU A 35 11.259 10.385 0.067 1.00 0.00 C ATOM 508 OE1 GLU A 35 11.490 11.102 -0.929 1.00 0.00 O ATOM 509 OE2 GLU A 35 10.147 10.336 0.633 1.00 0.00 O ATOM 0 H GLU A 35 11.370 6.848 1.412 1.00 0.00 H new ATOM 0 HA GLU A 35 11.113 7.677 -1.418 1.00 0.00 H new ATOM 0 HB2 GLU A 35 13.716 7.961 0.035 1.00 0.00 H new ATOM 0 HB3 GLU A 35 13.079 8.894 -1.304 1.00 0.00 H new ATOM 0 HG2 GLU A 35 12.069 9.078 1.555 1.00 0.00 H new ATOM 0 HG3 GLU A 35 13.241 10.169 0.843 1.00 0.00 H new ATOM 516 N VAL A 36 12.656 5.225 0.082 1.00 0.00 N ATOM 517 CA VAL A 36 13.283 3.924 -0.119 1.00 0.00 C ATOM 518 C VAL A 36 12.377 2.996 -0.920 1.00 0.00 C ATOM 519 O VAL A 36 11.409 2.448 -0.392 1.00 0.00 O ATOM 520 CB VAL A 36 13.628 3.254 1.224 1.00 0.00 C ATOM 521 CG1 VAL A 36 14.422 1.977 0.995 1.00 0.00 C ATOM 522 CG2 VAL A 36 14.396 4.216 2.117 1.00 0.00 C ATOM 0 H VAL A 36 12.435 5.441 1.054 1.00 0.00 H new ATOM 0 HA VAL A 36 14.203 4.098 -0.676 1.00 0.00 H new ATOM 0 HB VAL A 36 12.698 2.990 1.728 1.00 0.00 H new ATOM 0 HG11 VAL A 36 14.657 1.517 1.955 1.00 0.00 H new ATOM 0 HG12 VAL A 36 13.832 1.284 0.396 1.00 0.00 H new ATOM 0 HG13 VAL A 36 15.347 2.213 0.470 1.00 0.00 H new ATOM 0 HG21 VAL A 36 14.632 3.726 3.062 1.00 0.00 H new ATOM 0 HG22 VAL A 36 15.321 4.513 1.622 1.00 0.00 H new ATOM 0 HG23 VAL A 36 13.787 5.100 2.308 1.00 0.00 H new ATOM 532 N SER A 37 12.699 2.822 -2.198 1.00 0.00 N ATOM 533 CA SER A 37 11.912 1.962 -3.075 1.00 0.00 C ATOM 534 C SER A 37 12.813 0.997 -3.840 1.00 0.00 C ATOM 535 O SER A 37 12.413 0.508 -4.896 1.00 0.00 O ATOM 536 CB SER A 37 11.098 2.806 -4.057 1.00 0.00 C ATOM 537 OG SER A 37 10.449 3.876 -3.393 1.00 0.00 O ATOM 0 H SER A 37 13.499 3.265 -2.649 1.00 0.00 H new ATOM 0 HA SER A 37 11.229 1.381 -2.456 1.00 0.00 H new ATOM 0 HB2 SER A 37 11.754 3.200 -4.833 1.00 0.00 H new ATOM 0 HB3 SER A 37 10.357 2.179 -4.553 1.00 0.00 H new ATOM 0 HG SER A 37 9.937 4.401 -4.043 1.00 0.00 H new TER 543 SER A 37 HETATM 544 ZN ZN A 181 6.695 -2.481 2.724 1.00 0.00 ZN