USER MOD reduce.3.24.130724 H: found=0, std=0, add=368, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 366 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 Single : A 1 GLY N :NH3+ -112:sc= 0.0644 (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 16:sc= 0.136! USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 30:sc= 0.669 USER MOD Single : A 13 THR OG1 : rot 35:sc= 0.971 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.148 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -127:sc= -0.13 (180deg=-1.4!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot -14:sc= 0.328 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -2.2 K(o=-2.2,f=-4!) USER MOD Single : A 42 ASN : amide:sc= 0.916 K(o=0.92,f=0) USER MOD Single : A 46 ASN :FLIP amide:sc= 0.568 F(o=0,f=0.57) USER MOD Single : A 47 LYS NZ :NH3+ 152:sc= -0.0405 (180deg=-0.634) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot -99:sc= 1.11 USER MOD Single : A 55 LYS NZ :NH3+ -160:sc= -0.0168 (180deg=-0.214) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.420 -39.047 -36.411 1.00 0.00 N ATOM 2 CA GLY A 1 -7.638 -38.541 -37.524 1.00 0.00 C ATOM 3 C GLY A 1 -8.202 -37.254 -38.091 1.00 0.00 C ATOM 4 O GLY A 1 -9.371 -36.933 -37.878 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.865 -38.973 -35.535 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.292 -38.488 -36.317 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.665 -40.043 -36.583 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.612 -38.371 -37.196 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.600 -39.295 -38.310 1.00 0.00 H new ATOM 8 N SER A 2 -7.369 -36.513 -38.815 1.00 0.00 N ATOM 9 CA SER A 2 -7.790 -35.250 -39.410 1.00 0.00 C ATOM 10 C SER A 2 -7.116 -35.035 -40.762 1.00 0.00 C ATOM 11 O SER A 2 -6.239 -35.801 -41.159 1.00 0.00 O ATOM 12 CB SER A 2 -7.461 -34.086 -38.473 1.00 0.00 C ATOM 13 OG SER A 2 -6.063 -33.861 -38.410 1.00 0.00 O ATOM 0 H SER A 2 -6.399 -36.765 -39.004 1.00 0.00 H new ATOM 0 HA SER A 2 -8.868 -35.291 -39.563 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.963 -33.183 -38.820 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.843 -34.299 -37.475 1.00 0.00 H new ATOM 0 HG SER A 2 -5.879 -33.111 -37.806 1.00 0.00 H new ATOM 19 N SER A 3 -7.534 -33.987 -41.464 1.00 0.00 N ATOM 20 CA SER A 3 -6.975 -33.672 -42.774 1.00 0.00 C ATOM 21 C SER A 3 -6.037 -32.472 -42.690 1.00 0.00 C ATOM 22 O SER A 3 -5.926 -31.828 -41.647 1.00 0.00 O ATOM 23 CB SER A 3 -8.096 -33.388 -43.775 1.00 0.00 C ATOM 24 OG SER A 3 -8.966 -34.500 -43.896 1.00 0.00 O ATOM 0 H SER A 3 -8.258 -33.341 -41.148 1.00 0.00 H new ATOM 0 HA SER A 3 -6.403 -34.535 -43.115 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.661 -32.513 -43.454 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.667 -33.150 -44.748 1.00 0.00 H new ATOM 0 HG SER A 3 -9.675 -34.292 -44.540 1.00 0.00 H new ATOM 30 N GLY A 4 -5.363 -32.177 -43.797 1.00 0.00 N ATOM 31 CA GLY A 4 -4.442 -31.056 -43.829 1.00 0.00 C ATOM 32 C GLY A 4 -4.116 -30.613 -45.241 1.00 0.00 C ATOM 33 O GLY A 4 -4.214 -31.399 -46.184 1.00 0.00 O ATOM 0 H GLY A 4 -5.438 -32.695 -44.673 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.874 -30.219 -43.280 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.521 -31.332 -43.316 1.00 0.00 H new ATOM 37 N SER A 5 -3.728 -29.351 -45.390 1.00 0.00 N ATOM 38 CA SER A 5 -3.391 -28.803 -46.698 1.00 0.00 C ATOM 39 C SER A 5 -1.881 -28.650 -46.851 1.00 0.00 C ATOM 40 O SER A 5 -1.126 -28.860 -45.903 1.00 0.00 O ATOM 41 CB SER A 5 -4.075 -27.449 -46.900 1.00 0.00 C ATOM 42 OG SER A 5 -3.702 -26.534 -45.884 1.00 0.00 O ATOM 0 H SER A 5 -3.639 -28.688 -44.620 1.00 0.00 H new ATOM 0 HA SER A 5 -3.747 -29.499 -47.458 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.806 -27.044 -47.876 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.157 -27.580 -46.897 1.00 0.00 H new ATOM 0 HG SER A 5 -4.150 -25.676 -46.036 1.00 0.00 H new ATOM 48 N SER A 6 -1.448 -28.284 -48.054 1.00 0.00 N ATOM 49 CA SER A 6 -0.028 -28.106 -48.334 1.00 0.00 C ATOM 50 C SER A 6 0.508 -26.852 -47.650 1.00 0.00 C ATOM 51 O SER A 6 -0.060 -25.769 -47.781 1.00 0.00 O ATOM 52 CB SER A 6 0.208 -28.018 -49.843 1.00 0.00 C ATOM 53 OG SER A 6 -0.125 -26.733 -50.337 1.00 0.00 O ATOM 0 H SER A 6 -2.060 -28.105 -48.850 1.00 0.00 H new ATOM 0 HA SER A 6 0.506 -28.970 -47.939 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.253 -28.237 -50.064 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.390 -28.773 -50.352 1.00 0.00 H new ATOM 0 HG SER A 6 -0.200 -26.104 -49.589 1.00 0.00 H new ATOM 59 N GLY A 7 1.606 -27.009 -46.917 1.00 0.00 N ATOM 60 CA GLY A 7 2.202 -25.883 -46.222 1.00 0.00 C ATOM 61 C GLY A 7 2.921 -26.298 -44.954 1.00 0.00 C ATOM 62 O GLY A 7 2.429 -27.137 -44.200 1.00 0.00 O ATOM 0 H GLY A 7 2.094 -27.896 -46.792 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.905 -25.381 -46.887 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.425 -25.160 -45.975 1.00 0.00 H new ATOM 66 N SER A 8 4.090 -25.711 -44.719 1.00 0.00 N ATOM 67 CA SER A 8 4.880 -26.029 -43.536 1.00 0.00 C ATOM 68 C SER A 8 4.139 -25.630 -42.263 1.00 0.00 C ATOM 69 O SER A 8 3.486 -24.587 -42.213 1.00 0.00 O ATOM 70 CB SER A 8 6.234 -25.318 -43.595 1.00 0.00 C ATOM 71 OG SER A 8 6.071 -23.910 -43.610 1.00 0.00 O ATOM 0 H SER A 8 4.511 -25.013 -45.332 1.00 0.00 H new ATOM 0 HA SER A 8 5.043 -27.107 -43.518 1.00 0.00 H new ATOM 0 HB2 SER A 8 6.838 -25.608 -42.735 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.776 -25.634 -44.487 1.00 0.00 H new ATOM 0 HG SER A 8 6.951 -23.479 -43.646 1.00 0.00 H new ATOM 77 N SER A 9 4.245 -26.467 -41.237 1.00 0.00 N ATOM 78 CA SER A 9 3.582 -26.205 -39.964 1.00 0.00 C ATOM 79 C SER A 9 4.041 -24.874 -39.377 1.00 0.00 C ATOM 80 O SER A 9 5.167 -24.750 -38.895 1.00 0.00 O ATOM 81 CB SER A 9 3.866 -27.337 -38.975 1.00 0.00 C ATOM 82 OG SER A 9 3.098 -27.186 -37.794 1.00 0.00 O ATOM 0 H SER A 9 4.784 -27.333 -41.261 1.00 0.00 H new ATOM 0 HA SER A 9 2.509 -26.151 -40.145 1.00 0.00 H new ATOM 0 HB2 SER A 9 3.639 -28.296 -39.440 1.00 0.00 H new ATOM 0 HB3 SER A 9 4.927 -27.348 -38.724 1.00 0.00 H new ATOM 0 HG SER A 9 3.296 -27.922 -37.179 1.00 0.00 H new ATOM 88 N SER A 10 3.160 -23.880 -39.421 1.00 0.00 N ATOM 89 CA SER A 10 3.474 -22.556 -38.898 1.00 0.00 C ATOM 90 C SER A 10 2.608 -22.232 -37.684 1.00 0.00 C ATOM 91 O SER A 10 1.384 -22.349 -37.732 1.00 0.00 O ATOM 92 CB SER A 10 3.271 -21.494 -39.980 1.00 0.00 C ATOM 93 OG SER A 10 4.344 -21.498 -40.906 1.00 0.00 O ATOM 0 H SER A 10 2.223 -23.967 -39.814 1.00 0.00 H new ATOM 0 HA SER A 10 4.519 -22.554 -38.589 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.333 -21.679 -40.504 1.00 0.00 H new ATOM 0 HB3 SER A 10 3.189 -20.510 -39.518 1.00 0.00 H new ATOM 0 HG SER A 10 4.190 -20.812 -41.588 1.00 0.00 H new ATOM 99 N SER A 11 3.254 -21.825 -36.596 1.00 0.00 N ATOM 100 CA SER A 11 2.545 -21.488 -35.367 1.00 0.00 C ATOM 101 C SER A 11 1.489 -20.418 -35.625 1.00 0.00 C ATOM 102 O SER A 11 1.483 -19.778 -36.678 1.00 0.00 O ATOM 103 CB SER A 11 3.529 -21.003 -34.301 1.00 0.00 C ATOM 104 OG SER A 11 4.494 -21.999 -34.006 1.00 0.00 O ATOM 0 H SER A 11 4.267 -21.721 -36.541 1.00 0.00 H new ATOM 0 HA SER A 11 2.046 -22.388 -35.007 1.00 0.00 H new ATOM 0 HB2 SER A 11 4.029 -20.099 -34.648 1.00 0.00 H new ATOM 0 HB3 SER A 11 2.986 -20.738 -33.394 1.00 0.00 H new ATOM 0 HG SER A 11 5.112 -21.664 -33.323 1.00 0.00 H new ATOM 110 N CYS A 12 0.598 -20.229 -34.658 1.00 0.00 N ATOM 111 CA CYS A 12 -0.464 -19.237 -34.780 1.00 0.00 C ATOM 112 C CYS A 12 -0.988 -18.830 -33.407 1.00 0.00 C ATOM 113 O CYS A 12 -1.403 -19.674 -32.613 1.00 0.00 O ATOM 114 CB CYS A 12 -1.608 -19.786 -35.634 1.00 0.00 C ATOM 115 SG CYS A 12 -1.373 -19.567 -37.413 1.00 0.00 S ATOM 0 H CYS A 12 0.590 -20.750 -33.781 1.00 0.00 H new ATOM 0 HA CYS A 12 -0.049 -18.354 -35.267 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -1.727 -20.849 -35.422 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -2.536 -19.296 -35.338 1.00 0.00 H new ATOM 0 HG CYS A 12 -0.102 -19.581 -37.688 1.00 0.00 H new ATOM 121 N THR A 13 -0.964 -17.529 -33.131 1.00 0.00 N ATOM 122 CA THR A 13 -1.434 -17.010 -31.853 1.00 0.00 C ATOM 123 C THR A 13 -2.699 -16.178 -32.029 1.00 0.00 C ATOM 124 O THR A 13 -2.649 -15.052 -32.526 1.00 0.00 O ATOM 125 CB THR A 13 -0.357 -16.148 -31.167 1.00 0.00 C ATOM 126 OG1 THR A 13 -0.033 -15.022 -31.991 1.00 0.00 O ATOM 127 CG2 THR A 13 0.899 -16.964 -30.898 1.00 0.00 C ATOM 0 H THR A 13 -0.624 -16.816 -33.776 1.00 0.00 H new ATOM 0 HA THR A 13 -1.655 -17.872 -31.223 1.00 0.00 H new ATOM 0 HB THR A 13 -0.755 -15.798 -30.214 1.00 0.00 H new ATOM 0 HG1 THR A 13 -0.840 -14.712 -32.453 1.00 0.00 H new ATOM 0 HG21 THR A 13 1.645 -16.334 -30.413 1.00 0.00 H new ATOM 0 HG22 THR A 13 0.655 -17.804 -30.247 1.00 0.00 H new ATOM 0 HG23 THR A 13 1.298 -17.339 -31.840 1.00 0.00 H new ATOM 135 N VAL A 14 -3.832 -16.737 -31.618 1.00 0.00 N ATOM 136 CA VAL A 14 -5.111 -16.046 -31.728 1.00 0.00 C ATOM 137 C VAL A 14 -5.486 -15.372 -30.414 1.00 0.00 C ATOM 138 O VAL A 14 -5.743 -16.040 -29.411 1.00 0.00 O ATOM 139 CB VAL A 14 -6.238 -17.012 -32.138 1.00 0.00 C ATOM 140 CG1 VAL A 14 -7.571 -16.282 -32.200 1.00 0.00 C ATOM 141 CG2 VAL A 14 -5.918 -17.669 -33.472 1.00 0.00 C ATOM 0 H VAL A 14 -3.890 -17.668 -31.205 1.00 0.00 H new ATOM 0 HA VAL A 14 -4.995 -15.287 -32.502 1.00 0.00 H new ATOM 0 HB VAL A 14 -6.314 -17.794 -31.383 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -8.355 -16.981 -32.491 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -7.803 -15.864 -31.220 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -7.511 -15.477 -32.933 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -6.725 -18.348 -33.746 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -5.813 -16.902 -34.239 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -4.986 -18.228 -33.388 1.00 0.00 H new ATOM 151 N THR A 15 -5.518 -14.043 -30.424 1.00 0.00 N ATOM 152 CA THR A 15 -5.861 -13.277 -29.232 1.00 0.00 C ATOM 153 C THR A 15 -7.356 -12.980 -29.182 1.00 0.00 C ATOM 154 O THR A 15 -8.011 -12.858 -30.217 1.00 0.00 O ATOM 155 CB THR A 15 -5.083 -11.949 -29.174 1.00 0.00 C ATOM 156 OG1 THR A 15 -5.279 -11.322 -27.901 1.00 0.00 O ATOM 157 CG2 THR A 15 -5.533 -11.009 -30.282 1.00 0.00 C ATOM 0 H THR A 15 -5.310 -13.474 -31.245 1.00 0.00 H new ATOM 0 HA THR A 15 -5.585 -13.888 -28.373 1.00 0.00 H new ATOM 0 HB THR A 15 -4.024 -12.167 -29.312 1.00 0.00 H new ATOM 0 HG1 THR A 15 -4.780 -10.479 -27.871 1.00 0.00 H new ATOM 0 HG21 THR A 15 -4.969 -10.078 -30.221 1.00 0.00 H new ATOM 0 HG22 THR A 15 -5.356 -11.477 -31.250 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.596 -10.797 -30.170 1.00 0.00 H new ATOM 165 N THR A 16 -7.891 -12.863 -27.970 1.00 0.00 N ATOM 166 CA THR A 16 -9.308 -12.581 -27.785 1.00 0.00 C ATOM 167 C THR A 16 -9.545 -11.761 -26.522 1.00 0.00 C ATOM 168 O THR A 16 -9.164 -12.168 -25.425 1.00 0.00 O ATOM 169 CB THR A 16 -10.134 -13.879 -27.703 1.00 0.00 C ATOM 170 OG1 THR A 16 -11.532 -13.572 -27.722 1.00 0.00 O ATOM 171 CG2 THR A 16 -9.797 -14.655 -26.439 1.00 0.00 C ATOM 0 H THR A 16 -7.363 -12.959 -27.102 1.00 0.00 H new ATOM 0 HA THR A 16 -9.632 -12.008 -28.654 1.00 0.00 H new ATOM 0 HB THR A 16 -9.887 -14.497 -28.566 1.00 0.00 H new ATOM 0 HG1 THR A 16 -12.050 -14.402 -27.671 1.00 0.00 H new ATOM 0 HG21 THR A 16 -10.392 -15.567 -26.403 1.00 0.00 H new ATOM 0 HG22 THR A 16 -8.738 -14.913 -26.442 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.019 -14.042 -25.566 1.00 0.00 H new ATOM 179 N GLY A 17 -10.177 -10.602 -26.683 1.00 0.00 N ATOM 180 CA GLY A 17 -10.454 -9.743 -25.547 1.00 0.00 C ATOM 181 C GLY A 17 -9.633 -8.469 -25.569 1.00 0.00 C ATOM 182 O GLY A 17 -8.403 -8.512 -25.520 1.00 0.00 O ATOM 0 H GLY A 17 -10.502 -10.243 -27.581 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -11.514 -9.488 -25.538 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -10.249 -10.288 -24.625 1.00 0.00 H new ATOM 186 N THR A 18 -10.313 -7.330 -25.644 1.00 0.00 N ATOM 187 CA THR A 18 -9.640 -6.038 -25.676 1.00 0.00 C ATOM 188 C THR A 18 -10.474 -4.966 -24.984 1.00 0.00 C ATOM 189 O THR A 18 -11.630 -5.198 -24.628 1.00 0.00 O ATOM 190 CB THR A 18 -9.349 -5.592 -27.121 1.00 0.00 C ATOM 191 OG1 THR A 18 -8.472 -4.459 -27.117 1.00 0.00 O ATOM 192 CG2 THR A 18 -10.637 -5.239 -27.849 1.00 0.00 C ATOM 0 H THR A 18 -11.331 -7.276 -25.684 1.00 0.00 H new ATOM 0 HA THR A 18 -8.697 -6.160 -25.144 1.00 0.00 H new ATOM 0 HB THR A 18 -8.870 -6.420 -27.643 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.290 -4.183 -28.040 1.00 0.00 H new ATOM 0 HG21 THR A 18 -10.406 -4.927 -28.867 1.00 0.00 H new ATOM 0 HG22 THR A 18 -11.290 -6.111 -27.876 1.00 0.00 H new ATOM 0 HG23 THR A 18 -11.140 -4.426 -27.326 1.00 0.00 H new ATOM 200 N LEU A 19 -9.881 -3.792 -24.796 1.00 0.00 N ATOM 201 CA LEU A 19 -10.570 -2.682 -24.146 1.00 0.00 C ATOM 202 C LEU A 19 -9.832 -1.369 -24.383 1.00 0.00 C ATOM 203 O LEU A 19 -8.747 -1.351 -24.964 1.00 0.00 O ATOM 204 CB LEU A 19 -10.697 -2.945 -22.644 1.00 0.00 C ATOM 205 CG LEU A 19 -9.471 -3.553 -21.963 1.00 0.00 C ATOM 206 CD1 LEU A 19 -9.402 -5.049 -22.224 1.00 0.00 C ATOM 207 CD2 LEU A 19 -8.200 -2.867 -22.442 1.00 0.00 C ATOM 0 H LEU A 19 -8.925 -3.584 -25.084 1.00 0.00 H new ATOM 0 HA LEU A 19 -11.566 -2.601 -24.580 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -10.933 -2.003 -22.149 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -11.545 -3.611 -22.482 1.00 0.00 H new ATOM 0 HG LEU A 19 -9.562 -3.397 -20.888 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.523 -5.464 -21.731 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -10.298 -5.529 -21.831 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -9.335 -5.228 -23.297 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.337 -3.313 -21.947 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.104 -2.992 -23.521 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -8.247 -1.805 -22.202 1.00 0.00 H new ATOM 219 N GLY A 20 -10.427 -0.271 -23.928 1.00 0.00 N ATOM 220 CA GLY A 20 -9.810 1.032 -24.098 1.00 0.00 C ATOM 221 C GLY A 20 -10.825 2.119 -24.392 1.00 0.00 C ATOM 222 O GLY A 20 -10.706 2.838 -25.385 1.00 0.00 O ATOM 0 H GLY A 20 -11.325 -0.260 -23.445 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -9.257 1.290 -23.195 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -9.086 0.985 -24.912 1.00 0.00 H new ATOM 226 N PHE A 21 -11.827 2.241 -23.528 1.00 0.00 N ATOM 227 CA PHE A 21 -12.869 3.246 -23.702 1.00 0.00 C ATOM 228 C PHE A 21 -12.343 4.638 -23.361 1.00 0.00 C ATOM 229 O PHE A 21 -12.368 5.544 -24.193 1.00 0.00 O ATOM 230 CB PHE A 21 -14.077 2.916 -22.823 1.00 0.00 C ATOM 231 CG PHE A 21 -14.560 1.502 -22.974 1.00 0.00 C ATOM 232 CD1 PHE A 21 -15.482 1.172 -23.955 1.00 0.00 C ATOM 233 CD2 PHE A 21 -14.092 0.503 -22.136 1.00 0.00 C ATOM 234 CE1 PHE A 21 -15.928 -0.129 -24.097 1.00 0.00 C ATOM 235 CE2 PHE A 21 -14.534 -0.799 -22.274 1.00 0.00 C ATOM 236 CZ PHE A 21 -15.454 -1.115 -23.254 1.00 0.00 C ATOM 0 H PHE A 21 -11.940 1.656 -22.700 1.00 0.00 H new ATOM 0 HA PHE A 21 -13.176 3.238 -24.748 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -13.816 3.093 -21.780 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -14.891 3.598 -23.068 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -15.856 1.940 -24.616 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -13.374 0.744 -21.366 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -16.646 -0.374 -24.866 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -14.160 -1.569 -21.616 1.00 0.00 H new ATOM 0 HZ PHE A 21 -15.802 -2.132 -23.361 1.00 0.00 H new ATOM 246 N GLY A 22 -11.867 4.799 -22.130 1.00 0.00 N ATOM 247 CA GLY A 22 -11.343 6.082 -21.700 1.00 0.00 C ATOM 248 C GLY A 22 -10.384 5.955 -20.533 1.00 0.00 C ATOM 249 O GLY A 22 -10.798 5.982 -19.374 1.00 0.00 O ATOM 0 H GLY A 22 -11.835 4.064 -21.423 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -10.832 6.561 -22.535 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -12.171 6.733 -21.417 1.00 0.00 H new ATOM 253 N ASP A 23 -9.099 5.813 -20.838 1.00 0.00 N ATOM 254 CA ASP A 23 -8.078 5.680 -19.806 1.00 0.00 C ATOM 255 C ASP A 23 -7.736 7.038 -19.201 1.00 0.00 C ATOM 256 O ASP A 23 -7.694 8.050 -19.902 1.00 0.00 O ATOM 257 CB ASP A 23 -6.817 5.035 -20.385 1.00 0.00 C ATOM 258 CG ASP A 23 -5.611 5.209 -19.483 1.00 0.00 C ATOM 259 OD1 ASP A 23 -5.756 5.028 -18.256 1.00 0.00 O ATOM 260 OD2 ASP A 23 -4.522 5.526 -20.005 1.00 0.00 O ATOM 0 H ASP A 23 -8.740 5.787 -21.792 1.00 0.00 H new ATOM 0 HA ASP A 23 -8.475 5.040 -19.018 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.997 3.972 -20.545 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.604 5.473 -21.360 1.00 0.00 H new ATOM 265 N LYS A 24 -7.495 7.054 -17.894 1.00 0.00 N ATOM 266 CA LYS A 24 -7.157 8.287 -17.193 1.00 0.00 C ATOM 267 C LYS A 24 -5.732 8.724 -17.515 1.00 0.00 C ATOM 268 O LYS A 24 -4.785 7.952 -17.358 1.00 0.00 O ATOM 269 CB LYS A 24 -7.315 8.099 -15.683 1.00 0.00 C ATOM 270 CG LYS A 24 -8.762 8.037 -15.225 1.00 0.00 C ATOM 271 CD LYS A 24 -8.864 7.869 -13.718 1.00 0.00 C ATOM 272 CE LYS A 24 -10.281 7.519 -13.291 1.00 0.00 C ATOM 273 NZ LYS A 24 -11.214 8.666 -13.468 1.00 0.00 N ATOM 0 H LYS A 24 -7.528 6.226 -17.299 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.841 9.066 -17.530 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.809 7.181 -15.385 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.815 8.920 -15.169 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -9.279 8.948 -15.526 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.266 7.206 -15.719 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.180 7.086 -13.391 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.552 8.790 -13.226 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -10.636 6.669 -13.874 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -10.279 7.210 -12.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -12.169 8.386 -13.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -10.890 9.469 -12.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -11.236 8.944 -14.470 1.00 0.00 H new ATOM 287 N PHE A 25 -5.586 9.965 -17.966 1.00 0.00 N ATOM 288 CA PHE A 25 -4.275 10.505 -18.310 1.00 0.00 C ATOM 289 C PHE A 25 -3.497 10.885 -17.053 1.00 0.00 C ATOM 290 O PHE A 25 -2.298 10.624 -16.948 1.00 0.00 O ATOM 291 CB PHE A 25 -4.425 11.726 -19.219 1.00 0.00 C ATOM 292 CG PHE A 25 -4.705 11.374 -20.653 1.00 0.00 C ATOM 293 CD1 PHE A 25 -6.001 11.135 -21.081 1.00 0.00 C ATOM 294 CD2 PHE A 25 -3.672 11.284 -21.572 1.00 0.00 C ATOM 295 CE1 PHE A 25 -6.261 10.811 -22.399 1.00 0.00 C ATOM 296 CE2 PHE A 25 -3.926 10.960 -22.892 1.00 0.00 C ATOM 297 CZ PHE A 25 -5.223 10.725 -23.306 1.00 0.00 C ATOM 0 H PHE A 25 -6.359 10.616 -18.102 1.00 0.00 H new ATOM 0 HA PHE A 25 -3.719 9.732 -18.841 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -5.233 12.353 -18.842 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -3.512 12.320 -19.170 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -6.817 11.203 -20.377 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -2.657 11.469 -21.254 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -7.275 10.625 -22.720 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -3.112 10.891 -23.598 1.00 0.00 H new ATOM 0 HZ PHE A 25 -5.425 10.475 -24.337 1.00 0.00 H new ATOM 307 N LYS A 26 -4.187 11.504 -16.102 1.00 0.00 N ATOM 308 CA LYS A 26 -3.563 11.921 -14.851 1.00 0.00 C ATOM 309 C LYS A 26 -2.889 10.740 -14.160 1.00 0.00 C ATOM 310 O LYS A 26 -3.193 9.583 -14.449 1.00 0.00 O ATOM 311 CB LYS A 26 -4.606 12.543 -13.920 1.00 0.00 C ATOM 312 CG LYS A 26 -5.675 11.565 -13.464 1.00 0.00 C ATOM 313 CD LYS A 26 -6.723 12.247 -12.601 1.00 0.00 C ATOM 314 CE LYS A 26 -7.826 12.864 -13.448 1.00 0.00 C ATOM 315 NZ LYS A 26 -7.481 14.243 -13.888 1.00 0.00 N ATOM 0 H LYS A 26 -5.179 11.729 -16.173 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.802 12.666 -15.083 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -4.102 12.951 -13.044 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -5.084 13.379 -14.431 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -6.155 11.117 -14.334 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -5.212 10.754 -12.902 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -7.155 11.523 -11.910 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -6.251 13.021 -11.996 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -8.006 12.238 -14.322 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -8.754 12.887 -12.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -8.250 14.893 -13.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -6.601 14.545 -13.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -7.350 14.256 -14.920 1.00 0.00 H new ATOM 329 N ARG A 27 -1.972 11.041 -13.246 1.00 0.00 N ATOM 330 CA ARG A 27 -1.255 10.004 -12.513 1.00 0.00 C ATOM 331 C ARG A 27 -1.204 10.328 -11.023 1.00 0.00 C ATOM 332 O ARG A 27 -1.245 11.488 -10.613 1.00 0.00 O ATOM 333 CB ARG A 27 0.165 9.852 -13.062 1.00 0.00 C ATOM 334 CG ARG A 27 1.107 10.965 -12.631 1.00 0.00 C ATOM 335 CD ARG A 27 2.563 10.562 -12.806 1.00 0.00 C ATOM 336 NE ARG A 27 2.938 10.463 -14.214 1.00 0.00 N ATOM 337 CZ ARG A 27 2.878 9.335 -14.913 1.00 0.00 C ATOM 338 NH1 ARG A 27 2.459 8.216 -14.337 1.00 0.00 N ATOM 339 NH2 ARG A 27 3.236 9.325 -16.190 1.00 0.00 N ATOM 0 H ARG A 27 -1.708 11.994 -12.996 1.00 0.00 H new ATOM 0 HA ARG A 27 -1.791 9.064 -12.644 1.00 0.00 H new ATOM 0 HB2 ARG A 27 0.572 8.896 -12.734 1.00 0.00 H new ATOM 0 HB3 ARG A 27 0.123 9.824 -14.151 1.00 0.00 H new ATOM 0 HG2 ARG A 27 0.904 11.862 -13.216 1.00 0.00 H new ATOM 0 HG3 ARG A 27 0.921 11.217 -11.587 1.00 0.00 H new ATOM 0 HD2 ARG A 27 3.203 11.292 -12.311 1.00 0.00 H new ATOM 0 HD3 ARG A 27 2.735 9.603 -12.317 1.00 0.00 H new ATOM 0 HE ARG A 27 3.264 11.306 -14.687 1.00 0.00 H new ATOM 0 HH11 ARG A 27 2.182 8.220 -13.355 1.00 0.00 H new ATOM 0 HH12 ARG A 27 2.414 7.351 -14.876 1.00 0.00 H new ATOM 0 HH21 ARG A 27 3.558 10.184 -16.636 1.00 0.00 H new ATOM 0 HH22 ARG A 27 3.190 8.458 -16.726 1.00 0.00 H new ATOM 353 N PRO A 28 -1.113 9.278 -10.192 1.00 0.00 N ATOM 354 CA PRO A 28 -1.055 9.425 -8.735 1.00 0.00 C ATOM 355 C PRO A 28 0.261 10.036 -8.266 1.00 0.00 C ATOM 356 O PRO A 28 1.244 10.058 -9.007 1.00 0.00 O ATOM 357 CB PRO A 28 -1.189 7.987 -8.228 1.00 0.00 C ATOM 358 CG PRO A 28 -0.688 7.143 -9.348 1.00 0.00 C ATOM 359 CD PRO A 28 -1.060 7.868 -10.612 1.00 0.00 C ATOM 0 HA PRO A 28 -1.828 10.096 -8.362 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -0.604 7.830 -7.322 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -2.224 7.748 -7.984 1.00 0.00 H new ATOM 0 HG2 PRO A 28 0.391 7.005 -9.280 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -1.138 6.151 -9.320 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -0.322 7.710 -11.398 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -2.019 7.529 -11.003 1.00 0.00 H new ATOM 367 N ILE A 29 0.273 10.528 -7.032 1.00 0.00 N ATOM 368 CA ILE A 29 1.470 11.137 -6.464 1.00 0.00 C ATOM 369 C ILE A 29 2.542 10.089 -6.190 1.00 0.00 C ATOM 370 O ILE A 29 3.619 10.117 -6.783 1.00 0.00 O ATOM 371 CB ILE A 29 1.154 11.887 -5.157 1.00 0.00 C ATOM 372 CG1 ILE A 29 0.095 12.964 -5.404 1.00 0.00 C ATOM 373 CG2 ILE A 29 2.420 12.504 -4.581 1.00 0.00 C ATOM 374 CD1 ILE A 29 -0.558 13.471 -4.137 1.00 0.00 C ATOM 0 H ILE A 29 -0.532 10.517 -6.406 1.00 0.00 H new ATOM 0 HA ILE A 29 1.842 11.849 -7.200 1.00 0.00 H new ATOM 0 HB ILE A 29 0.758 11.174 -4.433 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.556 13.802 -5.926 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.674 12.562 -6.064 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.180 13.031 -3.657 1.00 0.00 H new ATOM 0 HG22 ILE A 29 3.146 11.718 -4.373 1.00 0.00 H new ATOM 0 HG23 ILE A 29 2.842 13.206 -5.300 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.297 14.232 -4.388 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.048 12.644 -3.624 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.201 13.904 -3.485 1.00 0.00 H new ATOM 386 N GLY A 30 2.238 9.162 -5.286 1.00 0.00 N ATOM 387 CA GLY A 30 3.186 8.115 -4.949 1.00 0.00 C ATOM 388 C GLY A 30 2.508 6.792 -4.654 1.00 0.00 C ATOM 389 O GLY A 30 2.523 6.319 -3.518 1.00 0.00 O ATOM 0 H GLY A 30 1.353 9.117 -4.781 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.887 7.985 -5.774 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.769 8.423 -4.081 1.00 0.00 H new ATOM 393 N SER A 31 1.909 6.194 -5.679 1.00 0.00 N ATOM 394 CA SER A 31 1.217 4.920 -5.522 1.00 0.00 C ATOM 395 C SER A 31 2.204 3.801 -5.205 1.00 0.00 C ATOM 396 O SER A 31 3.415 3.968 -5.349 1.00 0.00 O ATOM 397 CB SER A 31 0.435 4.581 -6.793 1.00 0.00 C ATOM 398 OG SER A 31 1.292 4.066 -7.797 1.00 0.00 O ATOM 0 H SER A 31 1.889 6.571 -6.627 1.00 0.00 H new ATOM 0 HA SER A 31 0.520 5.013 -4.689 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.340 3.850 -6.563 1.00 0.00 H new ATOM 0 HB3 SER A 31 -0.068 5.474 -7.163 1.00 0.00 H new ATOM 0 HG SER A 31 0.768 3.856 -8.598 1.00 0.00 H new ATOM 404 N TRP A 32 1.677 2.661 -4.774 1.00 0.00 N ATOM 405 CA TRP A 32 2.512 1.513 -4.437 1.00 0.00 C ATOM 406 C TRP A 32 2.002 0.250 -5.121 1.00 0.00 C ATOM 407 O TRP A 32 0.846 -0.136 -4.950 1.00 0.00 O ATOM 408 CB TRP A 32 2.545 1.309 -2.921 1.00 0.00 C ATOM 409 CG TRP A 32 1.186 1.122 -2.317 1.00 0.00 C ATOM 410 CD1 TRP A 32 0.240 2.085 -2.113 1.00 0.00 C ATOM 411 CD2 TRP A 32 0.623 -0.104 -1.838 1.00 0.00 C ATOM 412 NE1 TRP A 32 -0.877 1.532 -1.535 1.00 0.00 N ATOM 413 CE2 TRP A 32 -0.668 0.190 -1.357 1.00 0.00 C ATOM 414 CE3 TRP A 32 1.082 -1.422 -1.770 1.00 0.00 C ATOM 415 CZ2 TRP A 32 -1.501 -0.785 -0.816 1.00 0.00 C ATOM 416 CZ3 TRP A 32 0.254 -2.389 -1.232 1.00 0.00 C ATOM 417 CH2 TRP A 32 -1.026 -2.067 -0.761 1.00 0.00 C ATOM 0 H TRP A 32 0.677 2.506 -4.650 1.00 0.00 H new ATOM 0 HA TRP A 32 3.523 1.713 -4.792 1.00 0.00 H new ATOM 0 HB2 TRP A 32 3.159 0.438 -2.692 1.00 0.00 H new ATOM 0 HB3 TRP A 32 3.026 2.170 -2.456 1.00 0.00 H new ATOM 0 HD1 TRP A 32 0.353 3.128 -2.368 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -1.725 2.039 -1.280 1.00 0.00 H new ATOM 0 HE3 TRP A 32 2.066 -1.680 -2.131 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -2.488 -0.538 -0.452 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 0.599 -3.411 -1.174 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -1.649 -2.846 -0.347 1.00 0.00 H new ATOM 428 N GLU A 33 2.872 -0.391 -5.896 1.00 0.00 N ATOM 429 CA GLU A 33 2.508 -1.611 -6.606 1.00 0.00 C ATOM 430 C GLU A 33 2.512 -2.811 -5.663 1.00 0.00 C ATOM 431 O GLU A 33 3.427 -2.979 -4.856 1.00 0.00 O ATOM 432 CB GLU A 33 3.472 -1.859 -7.768 1.00 0.00 C ATOM 433 CG GLU A 33 3.208 -3.156 -8.513 1.00 0.00 C ATOM 434 CD GLU A 33 4.339 -3.533 -9.449 1.00 0.00 C ATOM 435 OE1 GLU A 33 5.497 -3.596 -8.986 1.00 0.00 O ATOM 436 OE2 GLU A 33 4.066 -3.765 -10.646 1.00 0.00 O ATOM 0 H GLU A 33 3.833 -0.085 -6.048 1.00 0.00 H new ATOM 0 HA GLU A 33 1.500 -1.484 -7.001 1.00 0.00 H new ATOM 0 HB2 GLU A 33 3.404 -1.027 -8.469 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.493 -1.871 -7.386 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.055 -3.959 -7.793 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.285 -3.060 -9.085 1.00 0.00 H new ATOM 443 N CYS A 34 1.482 -3.644 -5.771 1.00 0.00 N ATOM 444 CA CYS A 34 1.364 -4.828 -4.929 1.00 0.00 C ATOM 445 C CYS A 34 2.344 -5.911 -5.372 1.00 0.00 C ATOM 446 O CYS A 34 2.985 -5.793 -6.416 1.00 0.00 O ATOM 447 CB CYS A 34 -0.066 -5.371 -4.973 1.00 0.00 C ATOM 448 SG CYS A 34 -0.579 -6.237 -3.455 1.00 0.00 S ATOM 0 H CYS A 34 0.717 -3.520 -6.434 1.00 0.00 H new ATOM 0 HA CYS A 34 1.605 -4.540 -3.906 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.752 -4.544 -5.156 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.158 -6.054 -5.817 1.00 0.00 H new ATOM 453 N SER A 35 2.455 -6.965 -4.570 1.00 0.00 N ATOM 454 CA SER A 35 3.359 -8.067 -4.877 1.00 0.00 C ATOM 455 C SER A 35 2.584 -9.364 -5.083 1.00 0.00 C ATOM 456 O SER A 35 2.922 -10.173 -5.948 1.00 0.00 O ATOM 457 CB SER A 35 4.382 -8.244 -3.753 1.00 0.00 C ATOM 458 OG SER A 35 5.205 -9.373 -3.986 1.00 0.00 O ATOM 0 H SER A 35 1.930 -7.079 -3.703 1.00 0.00 H new ATOM 0 HA SER A 35 3.884 -7.827 -5.802 1.00 0.00 H new ATOM 0 HB2 SER A 35 5.000 -7.349 -3.675 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.864 -8.358 -2.800 1.00 0.00 H new ATOM 0 HG SER A 35 5.851 -9.463 -3.255 1.00 0.00 H new ATOM 464 N VAL A 36 1.540 -9.557 -4.283 1.00 0.00 N ATOM 465 CA VAL A 36 0.714 -10.755 -4.377 1.00 0.00 C ATOM 466 C VAL A 36 -0.157 -10.724 -5.627 1.00 0.00 C ATOM 467 O VAL A 36 -0.278 -11.723 -6.338 1.00 0.00 O ATOM 468 CB VAL A 36 -0.188 -10.913 -3.139 1.00 0.00 C ATOM 469 CG1 VAL A 36 0.652 -11.144 -1.892 1.00 0.00 C ATOM 470 CG2 VAL A 36 -1.082 -9.694 -2.972 1.00 0.00 C ATOM 0 H VAL A 36 1.246 -8.898 -3.562 1.00 0.00 H new ATOM 0 HA VAL A 36 1.394 -11.605 -4.432 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.826 -11.785 -3.285 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.003 -11.253 -1.027 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.245 -12.050 -2.015 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.317 -10.294 -1.739 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.713 -9.823 -2.092 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.465 -8.804 -2.849 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.710 -9.580 -3.855 1.00 0.00 H new ATOM 480 N CYS A 37 -0.764 -9.572 -5.891 1.00 0.00 N ATOM 481 CA CYS A 37 -1.626 -9.409 -7.056 1.00 0.00 C ATOM 482 C CYS A 37 -1.031 -8.402 -8.036 1.00 0.00 C ATOM 483 O CYS A 37 -1.446 -8.328 -9.193 1.00 0.00 O ATOM 484 CB CYS A 37 -3.022 -8.955 -6.624 1.00 0.00 C ATOM 485 SG CYS A 37 -3.110 -7.210 -6.111 1.00 0.00 S ATOM 0 H CYS A 37 -0.675 -8.736 -5.313 1.00 0.00 H new ATOM 0 HA CYS A 37 -1.704 -10.374 -7.557 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.716 -9.116 -7.449 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.357 -9.583 -5.798 1.00 0.00 H new ATOM 490 N CYS A 38 -0.059 -7.629 -7.564 1.00 0.00 N ATOM 491 CA CYS A 38 0.592 -6.626 -8.398 1.00 0.00 C ATOM 492 C CYS A 38 -0.432 -5.663 -8.990 1.00 0.00 C ATOM 493 O CYS A 38 -0.412 -5.377 -10.187 1.00 0.00 O ATOM 494 CB CYS A 38 1.384 -7.300 -9.520 1.00 0.00 C ATOM 495 SG CYS A 38 3.081 -7.732 -9.069 1.00 0.00 S ATOM 0 H CYS A 38 0.295 -7.678 -6.609 1.00 0.00 H new ATOM 0 HA CYS A 38 1.278 -6.058 -7.770 1.00 0.00 H new ATOM 0 HB2 CYS A 38 0.860 -8.205 -9.828 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.407 -6.636 -10.384 1.00 0.00 H new ATOM 0 HG CYS A 38 3.408 -7.118 -7.971 1.00 0.00 H new ATOM 501 N VAL A 39 -1.328 -5.166 -8.143 1.00 0.00 N ATOM 502 CA VAL A 39 -2.361 -4.235 -8.582 1.00 0.00 C ATOM 503 C VAL A 39 -2.119 -2.840 -8.016 1.00 0.00 C ATOM 504 O VAL A 39 -1.783 -2.684 -6.842 1.00 0.00 O ATOM 505 CB VAL A 39 -3.763 -4.713 -8.160 1.00 0.00 C ATOM 506 CG1 VAL A 39 -4.810 -3.663 -8.500 1.00 0.00 C ATOM 507 CG2 VAL A 39 -4.094 -6.042 -8.821 1.00 0.00 C ATOM 0 H VAL A 39 -1.359 -5.393 -7.149 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.311 -4.196 -9.670 1.00 0.00 H new ATOM 0 HB VAL A 39 -3.768 -4.860 -7.080 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.794 -4.018 -8.195 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.580 -2.736 -7.975 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -4.807 -3.481 -9.575 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.088 -6.365 -8.512 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.071 -5.925 -9.904 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.360 -6.790 -8.521 1.00 0.00 H new ATOM 517 N SER A 40 -2.294 -1.827 -8.859 1.00 0.00 N ATOM 518 CA SER A 40 -2.092 -0.444 -8.444 1.00 0.00 C ATOM 519 C SER A 40 -3.134 -0.030 -7.410 1.00 0.00 C ATOM 520 O SER A 40 -4.251 -0.545 -7.397 1.00 0.00 O ATOM 521 CB SER A 40 -2.161 0.489 -9.655 1.00 0.00 C ATOM 522 OG SER A 40 -3.502 0.701 -10.060 1.00 0.00 O ATOM 0 H SER A 40 -2.575 -1.938 -9.833 1.00 0.00 H new ATOM 0 HA SER A 40 -1.104 -0.367 -7.990 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.697 1.444 -9.409 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.592 0.061 -10.480 1.00 0.00 H new ATOM 0 HG SER A 40 -3.519 1.302 -10.834 1.00 0.00 H new ATOM 528 N ASN A 41 -2.759 0.905 -6.543 1.00 0.00 N ATOM 529 CA ASN A 41 -3.659 1.390 -5.503 1.00 0.00 C ATOM 530 C ASN A 41 -3.321 2.826 -5.116 1.00 0.00 C ATOM 531 O ASN A 41 -2.369 3.411 -5.631 1.00 0.00 O ATOM 532 CB ASN A 41 -3.582 0.486 -4.271 1.00 0.00 C ATOM 533 CG ASN A 41 -3.762 -0.980 -4.616 1.00 0.00 C ATOM 534 OD1 ASN A 41 -4.770 -1.371 -5.204 1.00 0.00 O ATOM 535 ND2 ASN A 41 -2.781 -1.798 -4.252 1.00 0.00 N ATOM 0 H ASN A 41 -1.837 1.342 -6.540 1.00 0.00 H new ATOM 0 HA ASN A 41 -4.675 1.369 -5.898 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -2.618 0.625 -3.781 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -4.349 0.785 -3.556 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -2.845 -2.795 -4.458 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -1.963 -1.429 -3.766 1.00 0.00 H new ATOM 542 N ASN A 42 -4.108 3.389 -4.204 1.00 0.00 N ATOM 543 CA ASN A 42 -3.892 4.757 -3.748 1.00 0.00 C ATOM 544 C ASN A 42 -2.886 4.795 -2.601 1.00 0.00 C ATOM 545 O ASN A 42 -3.015 4.058 -1.624 1.00 0.00 O ATOM 546 CB ASN A 42 -5.215 5.382 -3.302 1.00 0.00 C ATOM 547 CG ASN A 42 -6.273 5.331 -4.387 1.00 0.00 C ATOM 548 OD1 ASN A 42 -6.336 6.206 -5.250 1.00 0.00 O ATOM 549 ND2 ASN A 42 -7.111 4.302 -4.347 1.00 0.00 N ATOM 0 H ASN A 42 -4.901 2.919 -3.767 1.00 0.00 H new ATOM 0 HA ASN A 42 -3.488 5.333 -4.581 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -5.580 4.860 -2.417 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -5.045 6.419 -3.013 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -7.844 4.214 -5.051 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.022 3.600 -3.613 1.00 0.00 H new ATOM 556 N ALA A 43 -1.886 5.661 -2.727 1.00 0.00 N ATOM 557 CA ALA A 43 -0.860 5.798 -1.700 1.00 0.00 C ATOM 558 C ALA A 43 -1.477 5.810 -0.306 1.00 0.00 C ATOM 559 O ALA A 43 -0.955 5.189 0.619 1.00 0.00 O ATOM 560 CB ALA A 43 -0.048 7.063 -1.931 1.00 0.00 C ATOM 0 H ALA A 43 -1.764 6.278 -3.530 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.196 4.936 -1.767 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.714 7.153 -1.157 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.432 7.014 -2.909 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.707 7.930 -1.893 1.00 0.00 H new ATOM 566 N GLU A 44 -2.591 6.523 -0.163 1.00 0.00 N ATOM 567 CA GLU A 44 -3.277 6.617 1.120 1.00 0.00 C ATOM 568 C GLU A 44 -3.675 5.233 1.627 1.00 0.00 C ATOM 569 O GLU A 44 -3.508 4.920 2.806 1.00 0.00 O ATOM 570 CB GLU A 44 -4.518 7.503 0.996 1.00 0.00 C ATOM 571 CG GLU A 44 -4.203 8.942 0.624 1.00 0.00 C ATOM 572 CD GLU A 44 -3.668 9.744 1.795 1.00 0.00 C ATOM 573 OE1 GLU A 44 -4.485 10.203 2.621 1.00 0.00 O ATOM 574 OE2 GLU A 44 -2.435 9.912 1.885 1.00 0.00 O ATOM 0 H GLU A 44 -3.036 7.043 -0.919 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.590 7.065 1.838 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.183 7.079 0.244 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.059 7.491 1.942 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.471 8.953 -0.183 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.105 9.421 0.243 1.00 0.00 H new ATOM 581 N ASP A 45 -4.204 4.410 0.728 1.00 0.00 N ATOM 582 CA ASP A 45 -4.626 3.060 1.083 1.00 0.00 C ATOM 583 C ASP A 45 -3.431 2.210 1.504 1.00 0.00 C ATOM 584 O ASP A 45 -2.668 1.735 0.665 1.00 0.00 O ATOM 585 CB ASP A 45 -5.345 2.402 -0.096 1.00 0.00 C ATOM 586 CG ASP A 45 -6.499 3.239 -0.611 1.00 0.00 C ATOM 587 OD1 ASP A 45 -7.083 4.001 0.189 1.00 0.00 O ATOM 588 OD2 ASP A 45 -6.818 3.134 -1.813 1.00 0.00 O ATOM 0 H ASP A 45 -4.351 4.654 -0.251 1.00 0.00 H new ATOM 0 HA ASP A 45 -5.314 3.130 1.926 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -4.633 2.234 -0.904 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -5.717 1.424 0.209 1.00 0.00 H new ATOM 593 N ASN A 46 -3.275 2.025 2.811 1.00 0.00 N ATOM 594 CA ASN A 46 -2.172 1.234 3.345 1.00 0.00 C ATOM 595 C ASN A 46 -2.312 -0.232 2.946 1.00 0.00 C ATOM 596 O ASN A 46 -1.344 -0.993 2.986 1.00 0.00 O ATOM 597 CB ASN A 46 -2.120 1.357 4.869 1.00 0.00 C ATOM 598 CG ASN A 46 -0.711 1.211 5.412 1.00 0.00 C ATOM 599 OD1 ASN A 46 -0.231 2.244 6.095 1.00 0.00 O flip ATOM 600 ND2 ASN A 46 -0.063 0.182 5.221 1.00 0.00 N flip ATOM 0 H ASN A 46 -3.898 2.412 3.520 1.00 0.00 H new ATOM 0 HA ASN A 46 -1.243 1.620 2.924 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -2.523 2.325 5.167 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -2.759 0.595 5.315 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -0.472 -0.587 4.690 1.00 0.00 H new ATOM 0 HD22 ASN A 46 0.883 0.098 5.594 1.00 0.00 H new ATOM 607 N LYS A 47 -3.522 -0.622 2.561 1.00 0.00 N ATOM 608 CA LYS A 47 -3.790 -1.996 2.153 1.00 0.00 C ATOM 609 C LYS A 47 -4.283 -2.049 0.711 1.00 0.00 C ATOM 610 O LYS A 47 -4.606 -1.020 0.116 1.00 0.00 O ATOM 611 CB LYS A 47 -4.826 -2.633 3.081 1.00 0.00 C ATOM 612 CG LYS A 47 -4.253 -3.085 4.414 1.00 0.00 C ATOM 613 CD LYS A 47 -5.060 -4.227 5.009 1.00 0.00 C ATOM 614 CE LYS A 47 -6.380 -3.737 5.582 1.00 0.00 C ATOM 615 NZ LYS A 47 -7.451 -3.692 4.548 1.00 0.00 N ATOM 0 H LYS A 47 -4.334 -0.005 2.523 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.858 -2.557 2.221 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.627 -1.917 3.264 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.274 -3.490 2.578 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.219 -3.401 4.278 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.241 -2.246 5.109 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.251 -4.977 4.242 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.480 -4.714 5.793 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.688 -4.393 6.396 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -6.244 -2.743 6.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.377 -3.825 5.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.430 -2.770 4.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.294 -4.449 3.853 1.00 0.00 H new ATOM 629 N CYS A 48 -4.342 -3.254 0.154 1.00 0.00 N ATOM 630 CA CYS A 48 -4.797 -3.441 -1.219 1.00 0.00 C ATOM 631 C CYS A 48 -6.321 -3.487 -1.284 1.00 0.00 C ATOM 632 O CYS A 48 -6.998 -3.489 -0.256 1.00 0.00 O ATOM 633 CB CYS A 48 -4.212 -4.730 -1.801 1.00 0.00 C ATOM 634 SG CYS A 48 -4.113 -4.746 -3.620 1.00 0.00 S ATOM 0 H CYS A 48 -4.080 -4.116 0.632 1.00 0.00 H new ATOM 0 HA CYS A 48 -4.450 -2.593 -1.810 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -3.213 -4.880 -1.392 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -4.820 -5.573 -1.473 1.00 0.00 H new ATOM 639 N VAL A 49 -6.854 -3.525 -2.501 1.00 0.00 N ATOM 640 CA VAL A 49 -8.298 -3.572 -2.703 1.00 0.00 C ATOM 641 C VAL A 49 -8.712 -4.855 -3.414 1.00 0.00 C ATOM 642 O VAL A 49 -9.804 -5.377 -3.188 1.00 0.00 O ATOM 643 CB VAL A 49 -8.790 -2.363 -3.520 1.00 0.00 C ATOM 644 CG1 VAL A 49 -8.411 -1.061 -2.831 1.00 0.00 C ATOM 645 CG2 VAL A 49 -8.228 -2.411 -4.933 1.00 0.00 C ATOM 0 H VAL A 49 -6.308 -3.524 -3.362 1.00 0.00 H new ATOM 0 HA VAL A 49 -8.757 -3.544 -1.715 1.00 0.00 H new ATOM 0 HB VAL A 49 -9.877 -2.409 -3.584 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -8.767 -0.219 -3.424 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -8.867 -1.027 -1.841 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -7.327 -1.003 -2.733 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -8.586 -1.549 -5.496 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.139 -2.391 -4.892 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -8.556 -3.327 -5.424 1.00 0.00 H new ATOM 655 N SER A 50 -7.832 -5.360 -4.273 1.00 0.00 N ATOM 656 CA SER A 50 -8.107 -6.581 -5.020 1.00 0.00 C ATOM 657 C SER A 50 -7.830 -7.815 -4.166 1.00 0.00 C ATOM 658 O SER A 50 -8.611 -8.767 -4.158 1.00 0.00 O ATOM 659 CB SER A 50 -7.260 -6.627 -6.293 1.00 0.00 C ATOM 660 OG SER A 50 -7.523 -7.803 -7.039 1.00 0.00 O ATOM 0 H SER A 50 -6.922 -4.942 -4.469 1.00 0.00 H new ATOM 0 HA SER A 50 -9.162 -6.580 -5.294 1.00 0.00 H new ATOM 0 HB2 SER A 50 -7.470 -5.750 -6.905 1.00 0.00 H new ATOM 0 HB3 SER A 50 -6.203 -6.587 -6.032 1.00 0.00 H new ATOM 0 HG SER A 50 -6.970 -7.807 -7.848 1.00 0.00 H new ATOM 666 N CYS A 51 -6.712 -7.790 -3.449 1.00 0.00 N ATOM 667 CA CYS A 51 -6.329 -8.905 -2.591 1.00 0.00 C ATOM 668 C CYS A 51 -6.437 -8.521 -1.118 1.00 0.00 C ATOM 669 O CYS A 51 -6.482 -9.384 -0.243 1.00 0.00 O ATOM 670 CB CYS A 51 -4.901 -9.353 -2.908 1.00 0.00 C ATOM 671 SG CYS A 51 -3.619 -8.157 -2.412 1.00 0.00 S ATOM 0 H CYS A 51 -6.055 -7.010 -3.445 1.00 0.00 H new ATOM 0 HA CYS A 51 -7.014 -9.731 -2.785 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -4.710 -10.302 -2.408 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -4.818 -9.535 -3.980 1.00 0.00 H new ATOM 676 N MET A 52 -6.479 -7.219 -0.854 1.00 0.00 N ATOM 677 CA MET A 52 -6.584 -6.720 0.513 1.00 0.00 C ATOM 678 C MET A 52 -5.394 -7.177 1.351 1.00 0.00 C ATOM 679 O MET A 52 -5.560 -7.645 2.478 1.00 0.00 O ATOM 680 CB MET A 52 -7.888 -7.197 1.154 1.00 0.00 C ATOM 681 CG MET A 52 -9.124 -6.501 0.608 1.00 0.00 C ATOM 682 SD MET A 52 -10.509 -6.538 1.761 1.00 0.00 S ATOM 683 CE MET A 52 -11.831 -5.918 0.724 1.00 0.00 C ATOM 0 H MET A 52 -6.442 -6.491 -1.567 1.00 0.00 H new ATOM 0 HA MET A 52 -6.583 -5.631 0.477 1.00 0.00 H new ATOM 0 HB2 MET A 52 -7.988 -8.271 0.999 1.00 0.00 H new ATOM 0 HB3 MET A 52 -7.835 -7.034 2.230 1.00 0.00 H new ATOM 0 HG2 MET A 52 -8.879 -5.465 0.374 1.00 0.00 H new ATOM 0 HG3 MET A 52 -9.421 -6.977 -0.326 1.00 0.00 H new ATOM 0 HE1 MET A 52 -12.757 -5.882 1.298 1.00 0.00 H new ATOM 0 HE2 MET A 52 -11.581 -4.916 0.376 1.00 0.00 H new ATOM 0 HE3 MET A 52 -11.961 -6.578 -0.134 1.00 0.00 H new ATOM 693 N SER A 53 -4.195 -7.039 0.794 1.00 0.00 N ATOM 694 CA SER A 53 -2.979 -7.442 1.490 1.00 0.00 C ATOM 695 C SER A 53 -2.336 -6.251 2.194 1.00 0.00 C ATOM 696 O SER A 53 -2.825 -5.126 2.104 1.00 0.00 O ATOM 697 CB SER A 53 -1.986 -8.064 0.506 1.00 0.00 C ATOM 698 OG SER A 53 -1.488 -7.093 -0.398 1.00 0.00 O ATOM 0 H SER A 53 -4.040 -6.651 -0.137 1.00 0.00 H new ATOM 0 HA SER A 53 -3.249 -8.184 2.242 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.158 -8.513 1.055 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.473 -8.866 -0.049 1.00 0.00 H new ATOM 0 HG SER A 53 -1.974 -7.157 -1.247 1.00 0.00 H new ATOM 704 N GLU A 54 -1.236 -6.509 2.895 1.00 0.00 N ATOM 705 CA GLU A 54 -0.526 -5.459 3.616 1.00 0.00 C ATOM 706 C GLU A 54 0.516 -4.795 2.721 1.00 0.00 C ATOM 707 O GLU A 54 1.218 -5.464 1.963 1.00 0.00 O ATOM 708 CB GLU A 54 0.147 -6.032 4.865 1.00 0.00 C ATOM 709 CG GLU A 54 -0.828 -6.382 5.976 1.00 0.00 C ATOM 710 CD GLU A 54 -1.102 -5.212 6.901 1.00 0.00 C ATOM 711 OE1 GLU A 54 -1.076 -4.059 6.424 1.00 0.00 O ATOM 712 OE2 GLU A 54 -1.342 -5.451 8.103 1.00 0.00 O ATOM 0 H GLU A 54 -0.818 -7.435 2.979 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.253 -4.705 3.919 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.706 -6.926 4.588 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.870 -5.309 5.242 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.766 -6.721 5.537 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.428 -7.214 6.556 1.00 0.00 H new ATOM 719 N LYS A 55 0.612 -3.473 2.815 1.00 0.00 N ATOM 720 CA LYS A 55 1.568 -2.716 2.016 1.00 0.00 C ATOM 721 C LYS A 55 2.984 -2.884 2.559 1.00 0.00 C ATOM 722 O LYS A 55 3.235 -2.756 3.757 1.00 0.00 O ATOM 723 CB LYS A 55 1.190 -1.233 2.000 1.00 0.00 C ATOM 724 CG LYS A 55 2.224 -0.348 1.325 1.00 0.00 C ATOM 725 CD LYS A 55 1.742 1.088 1.214 1.00 0.00 C ATOM 726 CE LYS A 55 2.906 2.059 1.093 1.00 0.00 C ATOM 727 NZ LYS A 55 3.663 2.180 2.369 1.00 0.00 N ATOM 0 H LYS A 55 0.039 -2.903 3.437 1.00 0.00 H new ATOM 0 HA LYS A 55 1.539 -3.103 0.997 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.235 -1.116 1.489 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.046 -0.892 3.025 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.155 -0.377 1.891 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.444 -0.737 0.331 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.091 1.188 0.345 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.145 1.341 2.090 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.578 1.724 0.303 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.532 3.039 0.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.211 3.064 2.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.997 2.189 3.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 4.310 1.372 2.467 1.00 0.00 H new ATOM 741 N PRO A 56 3.933 -3.176 1.657 1.00 0.00 N ATOM 742 CA PRO A 56 5.340 -3.366 2.022 1.00 0.00 C ATOM 743 C PRO A 56 6.009 -2.064 2.449 1.00 0.00 C ATOM 744 O PRO A 56 5.918 -1.052 1.756 1.00 0.00 O ATOM 745 CB PRO A 56 5.973 -3.895 0.732 1.00 0.00 C ATOM 746 CG PRO A 56 5.097 -3.381 -0.358 1.00 0.00 C ATOM 747 CD PRO A 56 3.706 -3.344 0.212 1.00 0.00 C ATOM 0 HA PRO A 56 5.453 -4.036 2.874 1.00 0.00 H new ATOM 0 HB2 PRO A 56 6.997 -3.539 0.618 1.00 0.00 H new ATOM 0 HB3 PRO A 56 6.012 -4.984 0.728 1.00 0.00 H new ATOM 0 HG2 PRO A 56 5.414 -2.389 -0.678 1.00 0.00 H new ATOM 0 HG3 PRO A 56 5.143 -4.028 -1.234 1.00 0.00 H new ATOM 0 HD2 PRO A 56 3.124 -2.520 -0.202 1.00 0.00 H new ATOM 0 HD3 PRO A 56 3.159 -4.261 -0.005 1.00 0.00 H new ATOM 755 N GLY A 57 6.682 -2.098 3.595 1.00 0.00 N ATOM 756 CA GLY A 57 7.357 -0.914 4.094 1.00 0.00 C ATOM 757 C GLY A 57 8.349 -1.233 5.195 1.00 0.00 C ATOM 758 O GLY A 57 9.339 -0.517 5.334 1.00 0.00 O ATOM 0 H GLY A 57 6.772 -2.924 4.187 1.00 0.00 H new ATOM 0 HA2 GLY A 57 7.877 -0.422 3.272 1.00 0.00 H new ATOM 0 HA3 GLY A 57 6.616 -0.208 4.470 1.00 0.00 H new TER 762 GLY A 57 HETATM 763 ZN ZN A 201 -2.834 -6.695 -3.941 1.00 0.00 ZN