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 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=-0.000703 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 USER MOD Single : A 20 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+ -161:sc= -0.0295 (180deg=-0.25) USER MOD Single : A 31 THR OG1 : rot 87:sc= 0.0418 USER MOD Single : A 32 ASN : amide:sc= 0.115 X(o=0.12,f=0) USER MOD Single : A 37 SER OG : rot 44:sc= 0.501 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.279 -13.474 -0.075 1.00 0.00 N ATOM 2 CA GLY A 1 -12.819 -12.131 -0.377 1.00 0.00 C ATOM 3 C GLY A 1 -11.772 -12.110 -1.473 1.00 0.00 C ATOM 4 O GLY A 1 -12.102 -12.171 -2.658 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.993 -13.435 0.680 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.699 -13.897 -0.927 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.475 -14.054 0.239 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.669 -11.518 -0.679 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.405 -11.680 0.525 1.00 0.00 H new ATOM 8 N SER A 2 -10.506 -12.021 -1.078 1.00 0.00 N ATOM 9 CA SER A 2 -9.407 -11.985 -2.036 1.00 0.00 C ATOM 10 C SER A 2 -8.814 -13.377 -2.234 1.00 0.00 C ATOM 11 O SER A 2 -7.595 -13.541 -2.298 1.00 0.00 O ATOM 12 CB SER A 2 -8.321 -11.018 -1.563 1.00 0.00 C ATOM 13 OG SER A 2 -7.775 -11.431 -0.322 1.00 0.00 O ATOM 0 H SER A 2 -10.216 -11.972 -0.101 1.00 0.00 H new ATOM 0 HA SER A 2 -9.801 -11.637 -2.991 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.530 -10.961 -2.311 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.739 -10.016 -1.464 1.00 0.00 H new ATOM 0 HG SER A 2 -7.082 -10.797 -0.042 1.00 0.00 H new ATOM 19 N SER A 3 -9.684 -14.377 -2.329 1.00 0.00 N ATOM 20 CA SER A 3 -9.248 -15.756 -2.515 1.00 0.00 C ATOM 21 C SER A 3 -9.305 -16.149 -3.988 1.00 0.00 C ATOM 22 O SER A 3 -10.274 -16.754 -4.444 1.00 0.00 O ATOM 23 CB SER A 3 -10.117 -16.704 -1.688 1.00 0.00 C ATOM 24 OG SER A 3 -9.693 -18.048 -1.840 1.00 0.00 O ATOM 0 H SER A 3 -10.696 -14.258 -2.280 1.00 0.00 H new ATOM 0 HA SER A 3 -8.215 -15.834 -2.176 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.070 -16.421 -0.636 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.158 -16.611 -1.997 1.00 0.00 H new ATOM 0 HG SER A 3 -10.264 -18.634 -1.300 1.00 0.00 H new ATOM 30 N GLY A 4 -8.256 -15.801 -4.728 1.00 0.00 N ATOM 31 CA GLY A 4 -8.206 -16.125 -6.142 1.00 0.00 C ATOM 32 C GLY A 4 -9.566 -16.038 -6.806 1.00 0.00 C ATOM 33 O GLY A 4 -9.940 -16.913 -7.587 1.00 0.00 O ATOM 0 H GLY A 4 -7.441 -15.301 -4.374 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.517 -15.445 -6.643 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.808 -17.132 -6.267 1.00 0.00 H new ATOM 37 N SER A 5 -10.309 -14.981 -6.494 1.00 0.00 N ATOM 38 CA SER A 5 -11.638 -14.786 -7.061 1.00 0.00 C ATOM 39 C SER A 5 -11.803 -13.361 -7.581 1.00 0.00 C ATOM 40 O SER A 5 -12.044 -12.432 -6.810 1.00 0.00 O ATOM 41 CB SER A 5 -12.712 -15.087 -6.014 1.00 0.00 C ATOM 42 OG SER A 5 -13.074 -16.457 -6.034 1.00 0.00 O ATOM 0 H SER A 5 -10.013 -14.246 -5.851 1.00 0.00 H new ATOM 0 HA SER A 5 -11.754 -15.475 -7.898 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.344 -14.819 -5.024 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.592 -14.472 -6.204 1.00 0.00 H new ATOM 0 HG SER A 5 -13.760 -16.624 -5.355 1.00 0.00 H new ATOM 48 N SER A 6 -11.671 -13.197 -8.893 1.00 0.00 N ATOM 49 CA SER A 6 -11.801 -11.886 -9.517 1.00 0.00 C ATOM 50 C SER A 6 -11.233 -10.796 -8.613 1.00 0.00 C ATOM 51 O SER A 6 -11.835 -9.736 -8.446 1.00 0.00 O ATOM 52 CB SER A 6 -13.269 -11.590 -9.830 1.00 0.00 C ATOM 53 OG SER A 6 -14.041 -11.525 -8.643 1.00 0.00 O ATOM 0 H SER A 6 -11.474 -13.956 -9.545 1.00 0.00 H new ATOM 0 HA SER A 6 -11.233 -11.896 -10.447 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.346 -10.646 -10.370 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.668 -12.365 -10.485 1.00 0.00 H new ATOM 0 HG SER A 6 -14.975 -11.333 -8.870 1.00 0.00 H new ATOM 59 N GLY A 7 -10.068 -11.065 -8.032 1.00 0.00 N ATOM 60 CA GLY A 7 -9.436 -10.099 -7.152 1.00 0.00 C ATOM 61 C GLY A 7 -8.067 -10.550 -6.683 1.00 0.00 C ATOM 62 O GLY A 7 -7.954 -11.467 -5.870 1.00 0.00 O ATOM 0 H GLY A 7 -9.550 -11.935 -8.155 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.343 -9.145 -7.672 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.075 -9.929 -6.286 1.00 0.00 H new ATOM 66 N ARG A 8 -7.025 -9.905 -7.197 1.00 0.00 N ATOM 67 CA ARG A 8 -5.657 -10.247 -6.827 1.00 0.00 C ATOM 68 C ARG A 8 -5.249 -9.540 -5.538 1.00 0.00 C ATOM 69 O ARG A 8 -5.886 -8.573 -5.120 1.00 0.00 O ATOM 70 CB ARG A 8 -4.693 -9.872 -7.954 1.00 0.00 C ATOM 71 CG ARG A 8 -4.778 -10.793 -9.161 1.00 0.00 C ATOM 72 CD ARG A 8 -5.800 -10.295 -10.171 1.00 0.00 C ATOM 73 NE ARG A 8 -5.330 -9.112 -10.887 1.00 0.00 N ATOM 74 CZ ARG A 8 -5.829 -8.712 -12.051 1.00 0.00 C ATOM 75 NH1 ARG A 8 -6.808 -9.396 -12.627 1.00 0.00 N ATOM 76 NH2 ARG A 8 -5.349 -7.625 -12.641 1.00 0.00 N ATOM 0 H ARG A 8 -7.102 -9.143 -7.871 1.00 0.00 H new ATOM 0 HA ARG A 8 -5.610 -11.323 -6.661 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -4.900 -8.850 -8.272 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -3.674 -9.886 -7.568 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -3.800 -10.863 -9.636 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -5.047 -11.798 -8.835 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -6.019 -11.088 -10.886 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -6.733 -10.061 -9.658 1.00 0.00 H new ATOM 0 HE ARG A 8 -4.578 -8.563 -10.471 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -7.180 -10.232 -12.176 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -7.189 -9.086 -13.521 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -4.596 -7.096 -12.201 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -5.733 -7.318 -13.535 1.00 0.00 H new ATOM 90 N SER A 9 -4.184 -10.030 -4.912 1.00 0.00 N ATOM 91 CA SER A 9 -3.693 -9.448 -3.669 1.00 0.00 C ATOM 92 C SER A 9 -2.617 -8.402 -3.945 1.00 0.00 C ATOM 93 O SER A 9 -2.003 -8.394 -5.012 1.00 0.00 O ATOM 94 CB SER A 9 -3.135 -10.541 -2.755 1.00 0.00 C ATOM 95 OG SER A 9 -1.933 -11.079 -3.279 1.00 0.00 O ATOM 0 H SER A 9 -3.645 -10.829 -5.245 1.00 0.00 H new ATOM 0 HA SER A 9 -4.530 -8.959 -3.171 1.00 0.00 H new ATOM 0 HB2 SER A 9 -2.951 -10.130 -1.762 1.00 0.00 H new ATOM 0 HB3 SER A 9 -3.873 -11.335 -2.640 1.00 0.00 H new ATOM 0 HG SER A 9 -1.596 -11.774 -2.676 1.00 0.00 H new ATOM 101 N TYR A 10 -2.395 -7.522 -2.976 1.00 0.00 N ATOM 102 CA TYR A 10 -1.395 -6.469 -3.114 1.00 0.00 C ATOM 103 C TYR A 10 -0.183 -6.749 -2.231 1.00 0.00 C ATOM 104 O TYR A 10 -0.312 -6.936 -1.021 1.00 0.00 O ATOM 105 CB TYR A 10 -2.000 -5.111 -2.754 1.00 0.00 C ATOM 106 CG TYR A 10 -3.320 -4.835 -3.439 1.00 0.00 C ATOM 107 CD1 TYR A 10 -4.520 -5.238 -2.865 1.00 0.00 C ATOM 108 CD2 TYR A 10 -3.366 -4.173 -4.659 1.00 0.00 C ATOM 109 CE1 TYR A 10 -5.728 -4.988 -3.488 1.00 0.00 C ATOM 110 CE2 TYR A 10 -4.570 -3.918 -5.288 1.00 0.00 C ATOM 111 CZ TYR A 10 -5.747 -4.328 -4.698 1.00 0.00 C ATOM 112 OH TYR A 10 -6.948 -4.077 -5.322 1.00 0.00 O ATOM 0 H TYR A 10 -2.894 -7.516 -2.086 1.00 0.00 H new ATOM 0 HA TYR A 10 -1.067 -6.449 -4.153 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -2.143 -5.061 -1.675 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -1.292 -4.326 -3.018 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -4.508 -5.755 -1.917 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -2.446 -3.852 -5.124 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -6.652 -5.308 -3.029 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -4.589 -3.401 -6.236 1.00 0.00 H new ATOM 0 HH TYR A 10 -6.786 -3.603 -6.164 1.00 0.00 H new ATOM 122 N SER A 11 0.995 -6.776 -2.846 1.00 0.00 N ATOM 123 CA SER A 11 2.231 -7.037 -2.117 1.00 0.00 C ATOM 124 C SER A 11 3.204 -5.870 -2.263 1.00 0.00 C ATOM 125 O SER A 11 3.128 -5.099 -3.221 1.00 0.00 O ATOM 126 CB SER A 11 2.884 -8.325 -2.622 1.00 0.00 C ATOM 127 OG SER A 11 3.036 -8.302 -4.031 1.00 0.00 O ATOM 0 H SER A 11 1.120 -6.621 -3.846 1.00 0.00 H new ATOM 0 HA SER A 11 1.984 -7.153 -1.062 1.00 0.00 H new ATOM 0 HB2 SER A 11 3.858 -8.452 -2.150 1.00 0.00 H new ATOM 0 HB3 SER A 11 2.276 -9.182 -2.333 1.00 0.00 H new ATOM 0 HG SER A 11 3.457 -9.135 -4.328 1.00 0.00 H new ATOM 133 N CYS A 12 4.117 -5.746 -1.306 1.00 0.00 N ATOM 134 CA CYS A 12 5.105 -4.674 -1.325 1.00 0.00 C ATOM 135 C CYS A 12 6.475 -5.205 -1.738 1.00 0.00 C ATOM 136 O CYS A 12 7.111 -5.977 -1.020 1.00 0.00 O ATOM 137 CB CYS A 12 5.196 -4.011 0.050 1.00 0.00 C ATOM 138 SG CYS A 12 6.407 -2.654 0.143 1.00 0.00 S ATOM 0 H CYS A 12 4.193 -6.375 -0.507 1.00 0.00 H new ATOM 0 HA CYS A 12 4.786 -3.932 -2.057 1.00 0.00 H new ATOM 0 HB2 CYS A 12 4.213 -3.626 0.321 1.00 0.00 H new ATOM 0 HB3 CYS A 12 5.457 -4.768 0.790 1.00 0.00 H new ATOM 143 N PRO A 13 6.942 -4.782 -2.922 1.00 0.00 N ATOM 144 CA PRO A 13 8.241 -5.200 -3.456 1.00 0.00 C ATOM 145 C PRO A 13 9.408 -4.608 -2.674 1.00 0.00 C ATOM 146 O PRO A 13 10.571 -4.814 -3.022 1.00 0.00 O ATOM 147 CB PRO A 13 8.227 -4.658 -4.888 1.00 0.00 C ATOM 148 CG PRO A 13 7.286 -3.504 -4.847 1.00 0.00 C ATOM 149 CD PRO A 13 6.238 -3.861 -3.830 1.00 0.00 C ATOM 0 HA PRO A 13 8.378 -6.280 -3.395 1.00 0.00 H new ATOM 0 HB2 PRO A 13 9.223 -4.346 -5.203 1.00 0.00 H new ATOM 0 HB3 PRO A 13 7.892 -5.417 -5.595 1.00 0.00 H new ATOM 0 HG2 PRO A 13 7.805 -2.587 -4.567 1.00 0.00 H new ATOM 0 HG3 PRO A 13 6.838 -3.331 -5.825 1.00 0.00 H new ATOM 0 HD2 PRO A 13 5.872 -2.979 -3.304 1.00 0.00 H new ATOM 0 HD3 PRO A 13 5.374 -4.337 -4.294 1.00 0.00 H new ATOM 157 N VAL A 14 9.091 -3.871 -1.614 1.00 0.00 N ATOM 158 CA VAL A 14 10.113 -3.250 -0.781 1.00 0.00 C ATOM 159 C VAL A 14 10.467 -4.136 0.408 1.00 0.00 C ATOM 160 O VAL A 14 11.637 -4.437 0.647 1.00 0.00 O ATOM 161 CB VAL A 14 9.656 -1.874 -0.263 1.00 0.00 C ATOM 162 CG1 VAL A 14 10.821 -1.125 0.366 1.00 0.00 C ATOM 163 CG2 VAL A 14 9.034 -1.061 -1.388 1.00 0.00 C ATOM 0 H VAL A 14 8.134 -3.690 -1.312 1.00 0.00 H new ATOM 0 HA VAL A 14 10.995 -3.119 -1.408 1.00 0.00 H new ATOM 0 HB VAL A 14 8.898 -2.028 0.505 1.00 0.00 H new ATOM 0 HG11 VAL A 14 10.478 -0.155 0.726 1.00 0.00 H new ATOM 0 HG12 VAL A 14 11.217 -1.703 1.201 1.00 0.00 H new ATOM 0 HG13 VAL A 14 11.604 -0.980 -0.378 1.00 0.00 H new ATOM 0 HG21 VAL A 14 8.717 -0.092 -1.004 1.00 0.00 H new ATOM 0 HG22 VAL A 14 9.768 -0.915 -2.180 1.00 0.00 H new ATOM 0 HG23 VAL A 14 8.171 -1.593 -1.787 1.00 0.00 H new ATOM 173 N CYS A 15 9.447 -4.553 1.153 1.00 0.00 N ATOM 174 CA CYS A 15 9.649 -5.405 2.318 1.00 0.00 C ATOM 175 C CYS A 15 8.749 -6.636 2.253 1.00 0.00 C ATOM 176 O CYS A 15 8.227 -7.089 3.271 1.00 0.00 O ATOM 177 CB CYS A 15 9.369 -4.623 3.603 1.00 0.00 C ATOM 178 SG CYS A 15 7.705 -3.886 3.677 1.00 0.00 S ATOM 0 H CYS A 15 8.473 -4.314 0.970 1.00 0.00 H new ATOM 0 HA CYS A 15 10.688 -5.735 2.320 1.00 0.00 H new ATOM 0 HB2 CYS A 15 9.498 -5.289 4.456 1.00 0.00 H new ATOM 0 HB3 CYS A 15 10.111 -3.830 3.702 1.00 0.00 H new ATOM 183 N GLU A 16 8.575 -7.172 1.049 1.00 0.00 N ATOM 184 CA GLU A 16 7.738 -8.350 0.852 1.00 0.00 C ATOM 185 C GLU A 16 6.559 -8.349 1.820 1.00 0.00 C ATOM 186 O GLU A 16 6.332 -9.320 2.542 1.00 0.00 O ATOM 187 CB GLU A 16 8.563 -9.625 1.037 1.00 0.00 C ATOM 188 CG GLU A 16 9.138 -9.781 2.435 1.00 0.00 C ATOM 189 CD GLU A 16 10.483 -9.099 2.591 1.00 0.00 C ATOM 190 OE1 GLU A 16 11.186 -8.933 1.572 1.00 0.00 O ATOM 191 OE2 GLU A 16 10.834 -8.733 3.732 1.00 0.00 O ATOM 0 H GLU A 16 9.002 -6.810 0.196 1.00 0.00 H new ATOM 0 HA GLU A 16 7.349 -8.321 -0.166 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.937 -10.488 0.812 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.380 -9.627 0.315 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.438 -9.366 3.160 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.244 -10.841 2.664 1.00 0.00 H new ATOM 198 N LYS A 17 5.812 -7.250 1.832 1.00 0.00 N ATOM 199 CA LYS A 17 4.655 -7.120 2.710 1.00 0.00 C ATOM 200 C LYS A 17 3.357 -7.305 1.931 1.00 0.00 C ATOM 201 O LYS A 17 3.137 -6.655 0.910 1.00 0.00 O ATOM 202 CB LYS A 17 4.661 -5.752 3.395 1.00 0.00 C ATOM 203 CG LYS A 17 3.793 -5.691 4.640 1.00 0.00 C ATOM 204 CD LYS A 17 4.548 -6.162 5.871 1.00 0.00 C ATOM 205 CE LYS A 17 5.539 -5.113 6.352 1.00 0.00 C ATOM 206 NZ LYS A 17 4.886 -4.086 7.210 1.00 0.00 N ATOM 0 H LYS A 17 5.987 -6.436 1.243 1.00 0.00 H new ATOM 0 HA LYS A 17 4.716 -7.900 3.469 1.00 0.00 H new ATOM 0 HB2 LYS A 17 5.685 -5.494 3.664 1.00 0.00 H new ATOM 0 HB3 LYS A 17 4.318 -4.999 2.686 1.00 0.00 H new ATOM 0 HG2 LYS A 17 3.447 -4.669 4.793 1.00 0.00 H new ATOM 0 HG3 LYS A 17 2.907 -6.309 4.497 1.00 0.00 H new ATOM 0 HD2 LYS A 17 3.840 -6.388 6.669 1.00 0.00 H new ATOM 0 HD3 LYS A 17 5.078 -7.087 5.643 1.00 0.00 H new ATOM 0 HE2 LYS A 17 6.339 -5.598 6.911 1.00 0.00 H new ATOM 0 HE3 LYS A 17 6.000 -4.628 5.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 5.594 -3.389 7.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 4.140 -3.605 6.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 4.468 -4.545 8.044 1.00 0.00 H new ATOM 220 N SER A 18 2.500 -8.195 2.422 1.00 0.00 N ATOM 221 CA SER A 18 1.224 -8.467 1.770 1.00 0.00 C ATOM 222 C SER A 18 0.091 -7.713 2.459 1.00 0.00 C ATOM 223 O SER A 18 0.199 -7.336 3.626 1.00 0.00 O ATOM 224 CB SER A 18 0.932 -9.969 1.780 1.00 0.00 C ATOM 225 OG SER A 18 0.443 -10.385 3.043 1.00 0.00 O ATOM 0 H SER A 18 2.666 -8.740 3.268 1.00 0.00 H new ATOM 0 HA SER A 18 1.291 -8.124 0.738 1.00 0.00 H new ATOM 0 HB2 SER A 18 0.200 -10.206 1.007 1.00 0.00 H new ATOM 0 HB3 SER A 18 1.840 -10.521 1.538 1.00 0.00 H new ATOM 0 HG SER A 18 0.263 -11.348 3.023 1.00 0.00 H new ATOM 231 N PHE A 19 -0.997 -7.495 1.727 1.00 0.00 N ATOM 232 CA PHE A 19 -2.152 -6.785 2.266 1.00 0.00 C ATOM 233 C PHE A 19 -3.444 -7.281 1.623 1.00 0.00 C ATOM 234 O PHE A 19 -3.422 -7.904 0.562 1.00 0.00 O ATOM 235 CB PHE A 19 -2.001 -5.279 2.041 1.00 0.00 C ATOM 236 CG PHE A 19 -0.633 -4.757 2.374 1.00 0.00 C ATOM 237 CD1 PHE A 19 0.416 -4.904 1.480 1.00 0.00 C ATOM 238 CD2 PHE A 19 -0.395 -4.119 3.581 1.00 0.00 C ATOM 239 CE1 PHE A 19 1.676 -4.425 1.784 1.00 0.00 C ATOM 240 CE2 PHE A 19 0.863 -3.638 3.891 1.00 0.00 C ATOM 241 CZ PHE A 19 1.900 -3.790 2.991 1.00 0.00 C ATOM 0 H PHE A 19 -1.103 -7.800 0.759 1.00 0.00 H new ATOM 0 HA PHE A 19 -2.202 -6.982 3.337 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.224 -5.051 0.999 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.739 -4.753 2.647 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.247 -5.399 0.535 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -1.202 -3.996 4.288 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.485 -4.547 1.079 1.00 0.00 H new ATOM 0 HE2 PHE A 19 1.035 -3.144 4.836 1.00 0.00 H new ATOM 0 HZ PHE A 19 2.884 -3.413 3.230 1.00 0.00 H new ATOM 251 N SER A 20 -4.568 -6.999 2.274 1.00 0.00 N ATOM 252 CA SER A 20 -5.869 -7.418 1.769 1.00 0.00 C ATOM 253 C SER A 20 -6.559 -6.277 1.028 1.00 0.00 C ATOM 254 O SER A 20 -7.146 -6.478 -0.035 1.00 0.00 O ATOM 255 CB SER A 20 -6.754 -7.903 2.919 1.00 0.00 C ATOM 256 OG SER A 20 -6.443 -9.238 3.275 1.00 0.00 O ATOM 0 H SER A 20 -4.603 -6.482 3.153 1.00 0.00 H new ATOM 0 HA SER A 20 -5.711 -8.239 1.069 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.621 -7.253 3.783 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.802 -7.836 2.628 1.00 0.00 H new ATOM 0 HG SER A 20 -7.021 -9.523 4.013 1.00 0.00 H new ATOM 262 N GLU A 21 -6.482 -5.078 1.597 1.00 0.00 N ATOM 263 CA GLU A 21 -7.099 -3.904 0.991 1.00 0.00 C ATOM 264 C GLU A 21 -6.150 -3.244 -0.005 1.00 0.00 C ATOM 265 O GLU A 21 -4.954 -3.536 -0.027 1.00 0.00 O ATOM 266 CB GLU A 21 -7.503 -2.898 2.071 1.00 0.00 C ATOM 267 CG GLU A 21 -8.778 -3.276 2.807 1.00 0.00 C ATOM 268 CD GLU A 21 -9.056 -2.373 3.993 1.00 0.00 C ATOM 269 OE1 GLU A 21 -8.093 -1.793 4.537 1.00 0.00 O ATOM 270 OE2 GLU A 21 -10.238 -2.245 4.376 1.00 0.00 O ATOM 0 H GLU A 21 -5.999 -4.894 2.476 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.991 -4.229 0.456 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.691 -2.806 2.792 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.635 -1.918 1.612 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.619 -3.231 2.115 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.703 -4.308 3.150 1.00 0.00 H new ATOM 277 N ASP A 22 -6.692 -2.352 -0.828 1.00 0.00 N ATOM 278 CA ASP A 22 -5.894 -1.649 -1.826 1.00 0.00 C ATOM 279 C ASP A 22 -5.313 -0.362 -1.249 1.00 0.00 C ATOM 280 O ASP A 22 -4.333 0.174 -1.766 1.00 0.00 O ATOM 281 CB ASP A 22 -6.744 -1.332 -3.057 1.00 0.00 C ATOM 282 CG ASP A 22 -7.604 -0.099 -2.866 1.00 0.00 C ATOM 283 OD1 ASP A 22 -7.053 1.021 -2.908 1.00 0.00 O ATOM 284 OD2 ASP A 22 -8.828 -0.253 -2.673 1.00 0.00 O ATOM 0 H ASP A 22 -7.680 -2.099 -0.823 1.00 0.00 H new ATOM 0 HA ASP A 22 -5.070 -2.299 -2.120 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -6.091 -1.186 -3.918 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -7.383 -2.186 -3.283 1.00 0.00 H new ATOM 289 N ARG A 23 -5.924 0.128 -0.176 1.00 0.00 N ATOM 290 CA ARG A 23 -5.469 1.353 0.470 1.00 0.00 C ATOM 291 C ARG A 23 -4.410 1.050 1.526 1.00 0.00 C ATOM 292 O ARG A 23 -3.716 1.950 2.001 1.00 0.00 O ATOM 293 CB ARG A 23 -6.649 2.086 1.111 1.00 0.00 C ATOM 294 CG ARG A 23 -7.332 1.294 2.213 1.00 0.00 C ATOM 295 CD ARG A 23 -8.755 1.777 2.447 1.00 0.00 C ATOM 296 NE ARG A 23 -8.797 2.967 3.293 1.00 0.00 N ATOM 297 CZ ARG A 23 -8.508 2.957 4.589 1.00 0.00 C ATOM 298 NH1 ARG A 23 -8.158 1.826 5.185 1.00 0.00 N ATOM 299 NH2 ARG A 23 -8.569 4.081 5.292 1.00 0.00 N ATOM 0 H ARG A 23 -6.736 -0.305 0.265 1.00 0.00 H new ATOM 0 HA ARG A 23 -5.024 1.992 -0.293 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -6.298 3.033 1.520 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.381 2.324 0.339 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -7.344 0.237 1.948 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -6.759 1.385 3.136 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.225 1.997 1.489 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -9.336 0.981 2.912 1.00 0.00 H new ATOM 0 HE ARG A 23 -9.063 3.854 2.865 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -8.110 0.960 4.648 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -7.937 1.822 6.181 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -8.838 4.953 4.837 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -8.347 4.073 6.287 1.00 0.00 H new ATOM 313 N LEU A 24 -4.293 -0.222 1.891 1.00 0.00 N ATOM 314 CA LEU A 24 -3.320 -0.644 2.892 1.00 0.00 C ATOM 315 C LEU A 24 -1.916 -0.701 2.296 1.00 0.00 C ATOM 316 O LEU A 24 -0.930 -0.424 2.980 1.00 0.00 O ATOM 317 CB LEU A 24 -3.701 -2.014 3.457 1.00 0.00 C ATOM 318 CG LEU A 24 -4.830 -2.023 4.489 1.00 0.00 C ATOM 319 CD1 LEU A 24 -5.193 -3.449 4.871 1.00 0.00 C ATOM 320 CD2 LEU A 24 -4.433 -1.223 5.721 1.00 0.00 C ATOM 0 H LEU A 24 -4.860 -0.979 1.509 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.324 0.089 3.699 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.989 -2.660 2.627 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.815 -2.456 3.913 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.707 -1.554 4.043 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.998 -3.435 5.606 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.521 -3.991 3.984 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.321 -3.945 5.297 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.248 -1.240 6.444 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.541 -1.662 6.168 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.225 -0.192 5.434 1.00 0.00 H new ATOM 332 N ILE A 25 -1.835 -1.059 1.019 1.00 0.00 N ATOM 333 CA ILE A 25 -0.553 -1.148 0.332 1.00 0.00 C ATOM 334 C ILE A 25 -0.031 0.236 -0.040 1.00 0.00 C ATOM 335 O ILE A 25 1.126 0.566 0.219 1.00 0.00 O ATOM 336 CB ILE A 25 -0.656 -2.005 -0.944 1.00 0.00 C ATOM 337 CG1 ILE A 25 0.719 -2.151 -1.599 1.00 0.00 C ATOM 338 CG2 ILE A 25 -1.650 -1.390 -1.917 1.00 0.00 C ATOM 339 CD1 ILE A 25 1.554 -3.266 -1.009 1.00 0.00 C ATOM 0 H ILE A 25 -2.642 -1.292 0.440 1.00 0.00 H new ATOM 0 HA ILE A 25 0.143 -1.623 1.024 1.00 0.00 H new ATOM 0 HB ILE A 25 -1.014 -2.997 -0.669 1.00 0.00 H new ATOM 0 HG12 ILE A 25 0.587 -2.332 -2.666 1.00 0.00 H new ATOM 0 HG13 ILE A 25 1.261 -1.211 -1.500 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.711 -2.007 -2.813 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.632 -1.334 -1.447 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -1.320 -0.387 -2.189 1.00 0.00 H new ATOM 0 HD11 ILE A 25 2.515 -3.311 -1.521 1.00 0.00 H new ATOM 0 HD12 ILE A 25 1.717 -3.076 0.052 1.00 0.00 H new ATOM 0 HD13 ILE A 25 1.032 -4.215 -1.132 1.00 0.00 H new ATOM 351 N LYS A 26 -0.894 1.043 -0.649 1.00 0.00 N ATOM 352 CA LYS A 26 -0.523 2.393 -1.055 1.00 0.00 C ATOM 353 C LYS A 26 -0.176 3.250 0.158 1.00 0.00 C ATOM 354 O LYS A 26 0.723 4.089 0.101 1.00 0.00 O ATOM 355 CB LYS A 26 -1.663 3.043 -1.842 1.00 0.00 C ATOM 356 CG LYS A 26 -2.706 3.710 -0.963 1.00 0.00 C ATOM 357 CD LYS A 26 -2.360 5.165 -0.695 1.00 0.00 C ATOM 358 CE LYS A 26 -2.794 6.063 -1.844 1.00 0.00 C ATOM 359 NZ LYS A 26 -2.306 7.459 -1.672 1.00 0.00 N ATOM 0 H LYS A 26 -1.855 0.785 -0.872 1.00 0.00 H new ATOM 0 HA LYS A 26 0.358 2.324 -1.693 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.246 3.785 -2.523 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.149 2.284 -2.455 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -3.682 3.650 -1.445 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -2.784 3.173 -0.018 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -2.844 5.491 0.226 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -1.285 5.262 -0.542 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -2.416 5.659 -2.783 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.882 6.064 -1.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -2.623 8.039 -2.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -2.687 7.854 -0.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -1.267 7.461 -1.632 1.00 0.00 H new ATOM 373 N SER A 27 -0.893 3.032 1.256 1.00 0.00 N ATOM 374 CA SER A 27 -0.663 3.786 2.482 1.00 0.00 C ATOM 375 C SER A 27 0.513 3.207 3.263 1.00 0.00 C ATOM 376 O SER A 27 1.084 3.870 4.130 1.00 0.00 O ATOM 377 CB SER A 27 -1.920 3.781 3.353 1.00 0.00 C ATOM 378 OG SER A 27 -1.796 4.689 4.434 1.00 0.00 O ATOM 0 H SER A 27 -1.638 2.339 1.321 1.00 0.00 H new ATOM 0 HA SER A 27 -0.424 4.814 2.208 1.00 0.00 H new ATOM 0 HB2 SER A 27 -2.786 4.048 2.748 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.096 2.776 3.737 1.00 0.00 H new ATOM 0 HG SER A 27 -2.613 4.668 4.974 1.00 0.00 H new ATOM 384 N HIS A 28 0.870 1.965 2.949 1.00 0.00 N ATOM 385 CA HIS A 28 1.978 1.296 3.620 1.00 0.00 C ATOM 386 C HIS A 28 3.318 1.824 3.116 1.00 0.00 C ATOM 387 O HIS A 28 4.121 2.346 3.890 1.00 0.00 O ATOM 388 CB HIS A 28 1.897 -0.215 3.400 1.00 0.00 C ATOM 389 CG HIS A 28 3.224 -0.904 3.482 1.00 0.00 C ATOM 390 ND1 HIS A 28 3.612 -1.665 4.566 1.00 0.00 N ATOM 391 CD2 HIS A 28 4.256 -0.946 2.607 1.00 0.00 C ATOM 392 CE1 HIS A 28 4.825 -2.143 4.354 1.00 0.00 C ATOM 393 NE2 HIS A 28 5.238 -1.722 3.172 1.00 0.00 N ATOM 0 H HIS A 28 0.408 1.403 2.235 1.00 0.00 H new ATOM 0 HA HIS A 28 1.904 1.505 4.687 1.00 0.00 H new ATOM 0 HB2 HIS A 28 1.226 -0.647 4.143 1.00 0.00 H new ATOM 0 HB3 HIS A 28 1.456 -0.408 2.422 1.00 0.00 H new ATOM 0 HD1 HIS A 28 3.050 -1.832 5.401 1.00 0.00 H new ATOM 0 HD2 HIS A 28 4.299 -0.460 1.644 1.00 0.00 H new ATOM 0 HE1 HIS A 28 5.384 -2.771 5.032 1.00 0.00 H new ATOM 401 N ILE A 29 3.552 1.684 1.816 1.00 0.00 N ATOM 402 CA ILE A 29 4.793 2.148 1.209 1.00 0.00 C ATOM 403 C ILE A 29 5.082 3.597 1.586 1.00 0.00 C ATOM 404 O ILE A 29 6.226 3.965 1.854 1.00 0.00 O ATOM 405 CB ILE A 29 4.750 2.028 -0.325 1.00 0.00 C ATOM 406 CG1 ILE A 29 4.445 0.586 -0.737 1.00 0.00 C ATOM 407 CG2 ILE A 29 6.067 2.490 -0.931 1.00 0.00 C ATOM 408 CD1 ILE A 29 4.233 0.415 -2.225 1.00 0.00 C ATOM 0 H ILE A 29 2.898 1.253 1.162 1.00 0.00 H new ATOM 0 HA ILE A 29 5.589 1.509 1.593 1.00 0.00 H new ATOM 0 HB ILE A 29 3.954 2.671 -0.702 1.00 0.00 H new ATOM 0 HG12 ILE A 29 5.267 -0.056 -0.419 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.553 0.247 -0.210 1.00 0.00 H new ATOM 0 HG21 ILE A 29 6.020 2.399 -2.016 1.00 0.00 H new ATOM 0 HG22 ILE A 29 6.246 3.531 -0.662 1.00 0.00 H new ATOM 0 HG23 ILE A 29 6.880 1.872 -0.550 1.00 0.00 H new ATOM 0 HD11 ILE A 29 4.021 -0.631 -2.444 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.392 1.030 -2.546 1.00 0.00 H new ATOM 0 HD13 ILE A 29 5.132 0.723 -2.758 1.00 0.00 H new ATOM 420 N LYS A 30 4.036 4.416 1.608 1.00 0.00 N ATOM 421 CA LYS A 30 4.175 5.826 1.956 1.00 0.00 C ATOM 422 C LYS A 30 4.742 5.986 3.363 1.00 0.00 C ATOM 423 O LYS A 30 5.820 6.552 3.549 1.00 0.00 O ATOM 424 CB LYS A 30 2.821 6.532 1.857 1.00 0.00 C ATOM 425 CG LYS A 30 2.929 8.010 1.526 1.00 0.00 C ATOM 426 CD LYS A 30 1.695 8.509 0.792 1.00 0.00 C ATOM 427 CE LYS A 30 1.577 10.024 0.866 1.00 0.00 C ATOM 428 NZ LYS A 30 1.240 10.487 2.241 1.00 0.00 N ATOM 0 H LYS A 30 3.082 4.128 1.389 1.00 0.00 H new ATOM 0 HA LYS A 30 4.869 6.282 1.250 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.219 6.040 1.093 1.00 0.00 H new ATOM 0 HB3 LYS A 30 2.291 6.418 2.803 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.062 8.581 2.445 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.813 8.183 0.912 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.740 8.197 -0.251 1.00 0.00 H new ATOM 0 HD3 LYS A 30 0.804 8.052 1.223 1.00 0.00 H new ATOM 0 HE2 LYS A 30 2.517 10.477 0.550 1.00 0.00 H new ATOM 0 HE3 LYS A 30 0.810 10.363 0.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 0.857 11.453 2.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 0.530 9.851 2.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.098 10.480 2.829 1.00 0.00 H new ATOM 442 N THR A 31 4.010 5.482 4.352 1.00 0.00 N ATOM 443 CA THR A 31 4.440 5.569 5.742 1.00 0.00 C ATOM 444 C THR A 31 5.700 4.744 5.980 1.00 0.00 C ATOM 445 O THR A 31 6.745 5.280 6.345 1.00 0.00 O ATOM 446 CB THR A 31 3.336 5.089 6.703 1.00 0.00 C ATOM 447 OG1 THR A 31 2.130 5.825 6.469 1.00 0.00 O ATOM 448 CG2 THR A 31 3.768 5.259 8.151 1.00 0.00 C ATOM 0 H THR A 31 3.116 5.009 4.216 1.00 0.00 H new ATOM 0 HA THR A 31 4.653 6.619 5.942 1.00 0.00 H new ATOM 0 HB THR A 31 3.157 4.030 6.517 1.00 0.00 H new ATOM 0 HG1 THR A 31 1.609 5.385 5.765 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.972 4.913 8.811 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.670 4.674 8.333 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.972 6.311 8.349 1.00 0.00 H new ATOM 456 N ASN A 32 5.593 3.436 5.770 1.00 0.00 N ATOM 457 CA ASN A 32 6.724 2.536 5.962 1.00 0.00 C ATOM 458 C ASN A 32 7.944 3.022 5.185 1.00 0.00 C ATOM 459 O ASN A 32 9.052 3.081 5.721 1.00 0.00 O ATOM 460 CB ASN A 32 6.356 1.118 5.520 1.00 0.00 C ATOM 461 CG ASN A 32 5.429 0.428 6.502 1.00 0.00 C ATOM 462 OD1 ASN A 32 5.867 -0.374 7.327 1.00 0.00 O ATOM 463 ND2 ASN A 32 4.141 0.739 6.418 1.00 0.00 N ATOM 0 H ASN A 32 4.735 2.976 5.467 1.00 0.00 H new ATOM 0 HA ASN A 32 6.971 2.526 7.024 1.00 0.00 H new ATOM 0 HB2 ASN A 32 5.879 1.158 4.541 1.00 0.00 H new ATOM 0 HB3 ASN A 32 7.266 0.528 5.407 1.00 0.00 H new ATOM 0 HD21 ASN A 32 3.470 0.308 7.053 1.00 0.00 H new ATOM 0 HD22 ASN A 32 3.823 1.409 5.718 1.00 0.00 H new ATOM 470 N HIS A 33 7.733 3.370 3.920 1.00 0.00 N ATOM 471 CA HIS A 33 8.815 3.853 3.069 1.00 0.00 C ATOM 472 C HIS A 33 8.576 5.302 2.657 1.00 0.00 C ATOM 473 O HIS A 33 8.041 5.588 1.586 1.00 0.00 O ATOM 474 CB HIS A 33 8.947 2.972 1.826 1.00 0.00 C ATOM 475 CG HIS A 33 8.718 1.517 2.097 1.00 0.00 C ATOM 476 ND1 HIS A 33 9.365 0.827 3.100 1.00 0.00 N ATOM 477 CD2 HIS A 33 7.906 0.620 1.489 1.00 0.00 C ATOM 478 CE1 HIS A 33 8.963 -0.431 3.097 1.00 0.00 C ATOM 479 NE2 HIS A 33 8.077 -0.583 2.129 1.00 0.00 N ATOM 0 H HIS A 33 6.823 3.327 3.461 1.00 0.00 H new ATOM 0 HA HIS A 33 9.742 3.804 3.640 1.00 0.00 H new ATOM 0 HB2 HIS A 33 8.234 3.310 1.074 1.00 0.00 H new ATOM 0 HB3 HIS A 33 9.943 3.102 1.402 1.00 0.00 H new ATOM 0 HD1 HIS A 33 10.048 1.226 3.744 1.00 0.00 H new ATOM 0 HD2 HIS A 33 7.247 0.814 0.656 1.00 0.00 H new ATOM 0 HE1 HIS A 33 9.301 -1.204 3.771 1.00 0.00 H new ATOM 487 N PRO A 34 8.982 6.240 3.526 1.00 0.00 N ATOM 488 CA PRO A 34 8.822 7.675 3.273 1.00 0.00 C ATOM 489 C PRO A 34 9.736 8.173 2.159 1.00 0.00 C ATOM 490 O PRO A 34 9.296 8.878 1.252 1.00 0.00 O ATOM 491 CB PRO A 34 9.210 8.315 4.609 1.00 0.00 C ATOM 492 CG PRO A 34 10.117 7.326 5.254 1.00 0.00 C ATOM 493 CD PRO A 34 9.628 5.971 4.821 1.00 0.00 C ATOM 0 HA PRO A 34 7.813 7.921 2.943 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.710 9.272 4.459 1.00 0.00 H new ATOM 0 HB3 PRO A 34 8.332 8.508 5.225 1.00 0.00 H new ATOM 0 HG2 PRO A 34 11.150 7.485 4.945 1.00 0.00 H new ATOM 0 HG3 PRO A 34 10.090 7.422 6.339 1.00 0.00 H new ATOM 0 HD2 PRO A 34 10.449 5.261 4.721 1.00 0.00 H new ATOM 0 HD3 PRO A 34 8.926 5.548 5.540 1.00 0.00 H new ATOM 501 N GLU A 35 11.011 7.801 2.235 1.00 0.00 N ATOM 502 CA GLU A 35 11.986 8.212 1.231 1.00 0.00 C ATOM 503 C GLU A 35 12.647 6.997 0.587 1.00 0.00 C ATOM 504 O GLU A 35 13.056 7.041 -0.574 1.00 0.00 O ATOM 505 CB GLU A 35 13.051 9.111 1.861 1.00 0.00 C ATOM 506 CG GLU A 35 13.901 8.408 2.907 1.00 0.00 C ATOM 507 CD GLU A 35 14.872 9.347 3.597 1.00 0.00 C ATOM 508 OE1 GLU A 35 14.416 10.188 4.399 1.00 0.00 O ATOM 509 OE2 GLU A 35 16.088 9.240 3.334 1.00 0.00 O ATOM 0 H GLU A 35 11.392 7.217 2.980 1.00 0.00 H new ATOM 0 HA GLU A 35 11.460 8.771 0.457 1.00 0.00 H new ATOM 0 HB2 GLU A 35 13.701 9.495 1.075 1.00 0.00 H new ATOM 0 HB3 GLU A 35 12.563 9.971 2.320 1.00 0.00 H new ATOM 0 HG2 GLU A 35 13.250 7.953 3.653 1.00 0.00 H new ATOM 0 HG3 GLU A 35 14.458 7.599 2.434 1.00 0.00 H new ATOM 516 N VAL A 36 12.749 5.912 1.348 1.00 0.00 N ATOM 517 CA VAL A 36 13.360 4.684 0.853 1.00 0.00 C ATOM 518 C VAL A 36 12.551 4.093 -0.296 1.00 0.00 C ATOM 519 O VAL A 36 11.426 3.632 -0.105 1.00 0.00 O ATOM 520 CB VAL A 36 13.490 3.632 1.969 1.00 0.00 C ATOM 521 CG1 VAL A 36 14.199 2.389 1.452 1.00 0.00 C ATOM 522 CG2 VAL A 36 14.224 4.214 3.168 1.00 0.00 C ATOM 0 H VAL A 36 12.416 5.858 2.311 1.00 0.00 H new ATOM 0 HA VAL A 36 14.355 4.947 0.495 1.00 0.00 H new ATOM 0 HB VAL A 36 12.489 3.343 2.290 1.00 0.00 H new ATOM 0 HG11 VAL A 36 14.282 1.657 2.255 1.00 0.00 H new ATOM 0 HG12 VAL A 36 13.628 1.961 0.628 1.00 0.00 H new ATOM 0 HG13 VAL A 36 15.196 2.658 1.102 1.00 0.00 H new ATOM 0 HG21 VAL A 36 14.307 3.456 3.947 1.00 0.00 H new ATOM 0 HG22 VAL A 36 15.221 4.533 2.865 1.00 0.00 H new ATOM 0 HG23 VAL A 36 13.671 5.071 3.553 1.00 0.00 H new ATOM 532 N SER A 37 13.132 4.110 -1.492 1.00 0.00 N ATOM 533 CA SER A 37 12.464 3.578 -2.674 1.00 0.00 C ATOM 534 C SER A 37 13.405 2.681 -3.472 1.00 0.00 C ATOM 535 O SER A 37 14.248 3.193 -4.208 1.00 0.00 O ATOM 536 CB SER A 37 11.959 4.721 -3.557 1.00 0.00 C ATOM 537 OG SER A 37 12.997 5.643 -3.842 1.00 0.00 O ATOM 0 H SER A 37 14.064 4.486 -1.668 1.00 0.00 H new ATOM 0 HA SER A 37 11.614 2.981 -2.344 1.00 0.00 H new ATOM 0 HB2 SER A 37 11.562 4.317 -4.488 1.00 0.00 H new ATOM 0 HB3 SER A 37 11.138 5.236 -3.057 1.00 0.00 H new ATOM 0 HG SER A 37 13.815 5.154 -4.072 1.00 0.00 H new TER 543 SER A 37 HETATM 544 ZN ZN A 181 7.118 -2.223 2.380 1.00 0.00 ZN