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+ -119:sc= 0.0948 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 18:sc= 0.217 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 10:sc= 0.746 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 67:sc= 0.0173 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 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 USER MOD Single : A 24 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0685) USER MOD Single : A 26 LYS NZ :NH3+ -162:sc= -0.838 (180deg=-1.38) USER MOD Single : A 31 SER OG : rot -50:sc= 1.21 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN :FLIP amide:sc= -2.37! F(o=-4.9,f=-2.4!) USER MOD Single : A 42 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 46 ASN : amide:sc= 0.841 K(o=0.84,f=-4.7!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 180:sc= 0.0231 USER MOD Single : A 55 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00098) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.148 47.340 -8.423 1.00 0.00 N ATOM 2 CA GLY A 1 -19.738 47.154 -8.134 1.00 0.00 C ATOM 3 C GLY A 1 -19.292 45.718 -8.322 1.00 0.00 C ATOM 4 O GLY A 1 -20.112 44.834 -8.571 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.256 48.013 -9.209 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.571 46.428 -8.688 1.00 0.00 H new ATOM 0 H3 GLY A 1 -21.629 47.713 -7.580 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.149 47.802 -8.783 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.537 47.462 -7.108 1.00 0.00 H new ATOM 8 N SER A 2 -17.989 45.485 -8.205 1.00 0.00 N ATOM 9 CA SER A 2 -17.434 44.146 -8.369 1.00 0.00 C ATOM 10 C SER A 2 -18.390 43.091 -7.821 1.00 0.00 C ATOM 11 O SER A 2 -18.856 42.219 -8.554 1.00 0.00 O ATOM 12 CB SER A 2 -16.082 44.041 -7.662 1.00 0.00 C ATOM 13 OG SER A 2 -15.063 44.681 -8.411 1.00 0.00 O ATOM 0 H SER A 2 -17.298 46.206 -7.997 1.00 0.00 H new ATOM 0 HA SER A 2 -17.294 43.966 -9.435 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.149 44.494 -6.673 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.825 42.992 -7.515 1.00 0.00 H new ATOM 0 HG SER A 2 -14.209 44.601 -7.937 1.00 0.00 H new ATOM 19 N SER A 3 -18.678 43.177 -6.526 1.00 0.00 N ATOM 20 CA SER A 3 -19.575 42.229 -5.877 1.00 0.00 C ATOM 21 C SER A 3 -19.093 40.796 -6.085 1.00 0.00 C ATOM 22 O SER A 3 -19.887 39.895 -6.352 1.00 0.00 O ATOM 23 CB SER A 3 -20.997 42.385 -6.421 1.00 0.00 C ATOM 24 OG SER A 3 -21.656 43.485 -5.818 1.00 0.00 O ATOM 0 H SER A 3 -18.303 43.894 -5.906 1.00 0.00 H new ATOM 0 HA SER A 3 -19.577 42.442 -4.808 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.963 42.525 -7.501 1.00 0.00 H new ATOM 0 HB3 SER A 3 -21.563 41.472 -6.236 1.00 0.00 H new ATOM 0 HG SER A 3 -22.562 43.564 -6.184 1.00 0.00 H new ATOM 30 N GLY A 4 -17.785 40.594 -5.960 1.00 0.00 N ATOM 31 CA GLY A 4 -17.218 39.270 -6.137 1.00 0.00 C ATOM 32 C GLY A 4 -16.799 39.006 -7.570 1.00 0.00 C ATOM 33 O GLY A 4 -17.616 39.078 -8.487 1.00 0.00 O ATOM 0 H GLY A 4 -17.108 41.324 -5.739 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.354 39.158 -5.482 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.949 38.521 -5.831 1.00 0.00 H new ATOM 37 N SER A 5 -15.519 38.701 -7.763 1.00 0.00 N ATOM 38 CA SER A 5 -14.991 38.431 -9.095 1.00 0.00 C ATOM 39 C SER A 5 -14.985 36.933 -9.384 1.00 0.00 C ATOM 40 O SER A 5 -14.935 36.113 -8.467 1.00 0.00 O ATOM 41 CB SER A 5 -13.574 38.993 -9.228 1.00 0.00 C ATOM 42 OG SER A 5 -12.703 38.413 -8.272 1.00 0.00 O ATOM 0 H SER A 5 -14.829 38.635 -7.014 1.00 0.00 H new ATOM 0 HA SER A 5 -15.639 38.921 -9.822 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.196 38.801 -10.232 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.595 40.075 -9.096 1.00 0.00 H new ATOM 0 HG SER A 5 -11.804 38.787 -8.379 1.00 0.00 H new ATOM 48 N SER A 6 -15.037 36.583 -10.665 1.00 0.00 N ATOM 49 CA SER A 6 -15.042 35.184 -11.076 1.00 0.00 C ATOM 50 C SER A 6 -13.631 34.713 -11.416 1.00 0.00 C ATOM 51 O SER A 6 -12.751 35.519 -11.718 1.00 0.00 O ATOM 52 CB SER A 6 -15.962 34.988 -12.282 1.00 0.00 C ATOM 53 OG SER A 6 -17.306 35.294 -11.953 1.00 0.00 O ATOM 0 H SER A 6 -15.076 37.249 -11.436 1.00 0.00 H new ATOM 0 HA SER A 6 -15.415 34.587 -10.243 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.631 35.624 -13.103 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.895 33.957 -12.631 1.00 0.00 H new ATOM 0 HG SER A 6 -17.874 35.163 -12.741 1.00 0.00 H new ATOM 59 N GLY A 7 -13.424 33.401 -11.366 1.00 0.00 N ATOM 60 CA GLY A 7 -12.119 32.844 -11.671 1.00 0.00 C ATOM 61 C GLY A 7 -12.196 31.686 -12.646 1.00 0.00 C ATOM 62 O GLY A 7 -12.284 30.527 -12.239 1.00 0.00 O ATOM 0 H GLY A 7 -14.136 32.714 -11.120 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.483 33.625 -12.088 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.647 32.507 -10.748 1.00 0.00 H new ATOM 66 N SER A 8 -12.165 31.999 -13.938 1.00 0.00 N ATOM 67 CA SER A 8 -12.237 30.975 -14.974 1.00 0.00 C ATOM 68 C SER A 8 -11.314 31.316 -16.140 1.00 0.00 C ATOM 69 O SER A 8 -11.361 32.421 -16.681 1.00 0.00 O ATOM 70 CB SER A 8 -13.676 30.828 -15.474 1.00 0.00 C ATOM 71 OG SER A 8 -14.083 31.973 -16.202 1.00 0.00 O ATOM 0 H SER A 8 -12.091 32.953 -14.292 1.00 0.00 H new ATOM 0 HA SER A 8 -11.911 30.030 -14.540 1.00 0.00 H new ATOM 0 HB2 SER A 8 -13.756 29.944 -16.107 1.00 0.00 H new ATOM 0 HB3 SER A 8 -14.345 30.675 -14.627 1.00 0.00 H new ATOM 0 HG SER A 8 -13.293 32.485 -16.475 1.00 0.00 H new ATOM 77 N SER A 9 -10.475 30.358 -16.521 1.00 0.00 N ATOM 78 CA SER A 9 -9.537 30.557 -17.620 1.00 0.00 C ATOM 79 C SER A 9 -10.174 30.177 -18.953 1.00 0.00 C ATOM 80 O SER A 9 -10.082 30.918 -19.931 1.00 0.00 O ATOM 81 CB SER A 9 -8.270 29.730 -17.393 1.00 0.00 C ATOM 82 OG SER A 9 -7.643 30.082 -16.171 1.00 0.00 O ATOM 0 H SER A 9 -10.425 29.437 -16.085 1.00 0.00 H new ATOM 0 HA SER A 9 -9.272 31.614 -17.652 1.00 0.00 H new ATOM 0 HB2 SER A 9 -8.521 28.669 -17.384 1.00 0.00 H new ATOM 0 HB3 SER A 9 -7.577 29.887 -18.219 1.00 0.00 H new ATOM 0 HG SER A 9 -6.837 29.538 -16.048 1.00 0.00 H new ATOM 88 N SER A 10 -10.820 29.015 -18.983 1.00 0.00 N ATOM 89 CA SER A 10 -11.469 28.533 -20.197 1.00 0.00 C ATOM 90 C SER A 10 -12.906 29.040 -20.282 1.00 0.00 C ATOM 91 O SER A 10 -13.733 28.741 -19.421 1.00 0.00 O ATOM 92 CB SER A 10 -11.452 27.004 -20.236 1.00 0.00 C ATOM 93 OG SER A 10 -12.393 26.460 -19.327 1.00 0.00 O ATOM 0 H SER A 10 -10.908 28.391 -18.181 1.00 0.00 H new ATOM 0 HA SER A 10 -10.915 28.917 -21.054 1.00 0.00 H new ATOM 0 HB2 SER A 10 -11.677 26.660 -21.246 1.00 0.00 H new ATOM 0 HB3 SER A 10 -10.454 26.642 -19.991 1.00 0.00 H new ATOM 0 HG SER A 10 -12.963 27.177 -18.979 1.00 0.00 H new ATOM 99 N SER A 11 -13.195 29.809 -21.326 1.00 0.00 N ATOM 100 CA SER A 11 -14.530 30.361 -21.523 1.00 0.00 C ATOM 101 C SER A 11 -15.412 29.387 -22.298 1.00 0.00 C ATOM 102 O SER A 11 -16.524 29.068 -21.874 1.00 0.00 O ATOM 103 CB SER A 11 -14.449 31.695 -22.268 1.00 0.00 C ATOM 104 OG SER A 11 -13.674 32.636 -21.545 1.00 0.00 O ATOM 0 H SER A 11 -12.522 30.064 -22.049 1.00 0.00 H new ATOM 0 HA SER A 11 -14.975 30.527 -20.542 1.00 0.00 H new ATOM 0 HB2 SER A 11 -14.011 31.539 -23.254 1.00 0.00 H new ATOM 0 HB3 SER A 11 -15.453 32.089 -22.424 1.00 0.00 H new ATOM 0 HG SER A 11 -13.636 33.479 -22.042 1.00 0.00 H new ATOM 110 N CYS A 12 -14.908 28.917 -23.434 1.00 0.00 N ATOM 111 CA CYS A 12 -15.650 27.979 -24.269 1.00 0.00 C ATOM 112 C CYS A 12 -15.672 26.591 -23.639 1.00 0.00 C ATOM 113 O CYS A 12 -14.757 26.213 -22.907 1.00 0.00 O ATOM 114 CB CYS A 12 -15.031 27.909 -25.666 1.00 0.00 C ATOM 115 SG CYS A 12 -13.365 27.206 -25.701 1.00 0.00 S ATOM 0 H CYS A 12 -13.989 29.170 -23.798 1.00 0.00 H new ATOM 0 HA CYS A 12 -16.676 28.337 -24.352 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -15.679 27.313 -26.309 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -14.999 28.913 -26.088 1.00 0.00 H new ATOM 0 HG CYS A 12 -13.418 25.948 -25.376 1.00 0.00 H new ATOM 121 N THR A 13 -16.726 25.833 -23.926 1.00 0.00 N ATOM 122 CA THR A 13 -16.870 24.487 -23.386 1.00 0.00 C ATOM 123 C THR A 13 -15.908 23.517 -24.062 1.00 0.00 C ATOM 124 O THR A 13 -15.430 22.567 -23.442 1.00 0.00 O ATOM 125 CB THR A 13 -18.310 23.965 -23.554 1.00 0.00 C ATOM 126 OG1 THR A 13 -18.409 22.629 -23.049 1.00 0.00 O ATOM 127 CG2 THR A 13 -18.727 23.991 -25.017 1.00 0.00 C ATOM 0 H THR A 13 -17.493 26.129 -24.530 1.00 0.00 H new ATOM 0 HA THR A 13 -16.634 24.546 -22.323 1.00 0.00 H new ATOM 0 HB THR A 13 -18.977 24.617 -22.990 1.00 0.00 H new ATOM 0 HG1 THR A 13 -19.328 22.305 -23.158 1.00 0.00 H new ATOM 0 HG21 THR A 13 -19.747 23.618 -25.111 1.00 0.00 H new ATOM 0 HG22 THR A 13 -18.678 25.014 -25.391 1.00 0.00 H new ATOM 0 HG23 THR A 13 -18.055 23.360 -25.598 1.00 0.00 H new ATOM 135 N VAL A 14 -15.626 23.763 -25.338 1.00 0.00 N ATOM 136 CA VAL A 14 -14.719 22.912 -26.098 1.00 0.00 C ATOM 137 C VAL A 14 -13.359 22.811 -25.416 1.00 0.00 C ATOM 138 O VAL A 14 -12.898 23.760 -24.782 1.00 0.00 O ATOM 139 CB VAL A 14 -14.524 23.439 -27.532 1.00 0.00 C ATOM 140 CG1 VAL A 14 -13.539 22.565 -28.293 1.00 0.00 C ATOM 141 CG2 VAL A 14 -15.858 23.512 -28.259 1.00 0.00 C ATOM 0 H VAL A 14 -16.013 24.545 -25.867 1.00 0.00 H new ATOM 0 HA VAL A 14 -15.175 21.923 -26.141 1.00 0.00 H new ATOM 0 HB VAL A 14 -14.111 24.446 -27.477 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -13.414 22.953 -29.304 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -12.577 22.570 -27.781 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -13.919 21.545 -28.340 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -15.701 23.886 -29.271 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -16.302 22.518 -28.305 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -16.528 24.184 -27.723 1.00 0.00 H new ATOM 151 N THR A 15 -12.720 21.653 -25.551 1.00 0.00 N ATOM 152 CA THR A 15 -11.413 21.426 -24.947 1.00 0.00 C ATOM 153 C THR A 15 -10.370 22.378 -25.522 1.00 0.00 C ATOM 154 O THR A 15 -9.541 22.922 -24.792 1.00 0.00 O ATOM 155 CB THR A 15 -10.940 19.976 -25.158 1.00 0.00 C ATOM 156 OG1 THR A 15 -11.018 19.632 -26.546 1.00 0.00 O ATOM 157 CG2 THR A 15 -11.784 19.007 -24.343 1.00 0.00 C ATOM 0 H THR A 15 -13.087 20.858 -26.074 1.00 0.00 H new ATOM 0 HA THR A 15 -11.522 21.612 -23.879 1.00 0.00 H new ATOM 0 HB THR A 15 -9.905 19.903 -24.823 1.00 0.00 H new ATOM 0 HG1 THR A 15 -10.714 18.709 -26.672 1.00 0.00 H new ATOM 0 HG21 THR A 15 -11.431 17.989 -24.508 1.00 0.00 H new ATOM 0 HG22 THR A 15 -11.700 19.253 -23.284 1.00 0.00 H new ATOM 0 HG23 THR A 15 -12.827 19.084 -24.652 1.00 0.00 H new ATOM 165 N THR A 16 -10.416 22.575 -26.836 1.00 0.00 N ATOM 166 CA THR A 16 -9.474 23.460 -27.509 1.00 0.00 C ATOM 167 C THR A 16 -9.508 24.860 -26.906 1.00 0.00 C ATOM 168 O THR A 16 -10.576 25.385 -26.592 1.00 0.00 O ATOM 169 CB THR A 16 -9.772 23.555 -29.017 1.00 0.00 C ATOM 170 OG1 THR A 16 -9.892 22.243 -29.577 1.00 0.00 O ATOM 171 CG2 THR A 16 -8.674 24.321 -29.739 1.00 0.00 C ATOM 0 H THR A 16 -11.096 22.133 -27.455 1.00 0.00 H new ATOM 0 HA THR A 16 -8.482 23.031 -27.369 1.00 0.00 H new ATOM 0 HB THR A 16 -10.712 24.092 -29.145 1.00 0.00 H new ATOM 0 HG1 THR A 16 -10.083 22.313 -30.536 1.00 0.00 H new ATOM 0 HG21 THR A 16 -8.907 24.375 -30.802 1.00 0.00 H new ATOM 0 HG22 THR A 16 -8.605 25.329 -29.331 1.00 0.00 H new ATOM 0 HG23 THR A 16 -7.722 23.808 -29.602 1.00 0.00 H new ATOM 179 N GLY A 17 -8.333 25.461 -26.749 1.00 0.00 N ATOM 180 CA GLY A 17 -8.251 26.795 -26.184 1.00 0.00 C ATOM 181 C GLY A 17 -7.112 26.938 -25.195 1.00 0.00 C ATOM 182 O GLY A 17 -6.101 27.578 -25.488 1.00 0.00 O ATOM 0 H GLY A 17 -7.436 25.048 -27.003 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -8.122 27.519 -26.988 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -9.191 27.034 -25.687 1.00 0.00 H new ATOM 186 N THR A 18 -7.273 26.341 -24.018 1.00 0.00 N ATOM 187 CA THR A 18 -6.251 26.407 -22.981 1.00 0.00 C ATOM 188 C THR A 18 -5.282 25.235 -23.089 1.00 0.00 C ATOM 189 O THR A 18 -5.617 24.189 -23.645 1.00 0.00 O ATOM 190 CB THR A 18 -6.878 26.413 -21.574 1.00 0.00 C ATOM 191 OG1 THR A 18 -7.639 25.216 -21.372 1.00 0.00 O ATOM 192 CG2 THR A 18 -7.774 27.628 -21.385 1.00 0.00 C ATOM 0 H THR A 18 -8.102 25.806 -23.759 1.00 0.00 H new ATOM 0 HA THR A 18 -5.707 27.339 -23.132 1.00 0.00 H new ATOM 0 HB THR A 18 -6.072 26.459 -20.841 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.033 25.226 -20.475 1.00 0.00 H new ATOM 0 HG21 THR A 18 -8.205 27.610 -20.384 1.00 0.00 H new ATOM 0 HG22 THR A 18 -7.186 28.537 -21.510 1.00 0.00 H new ATOM 0 HG23 THR A 18 -8.574 27.609 -22.125 1.00 0.00 H new ATOM 200 N LEU A 19 -4.080 25.417 -22.553 1.00 0.00 N ATOM 201 CA LEU A 19 -3.062 24.373 -22.589 1.00 0.00 C ATOM 202 C LEU A 19 -3.081 23.549 -21.305 1.00 0.00 C ATOM 203 O LEU A 19 -3.240 24.090 -20.211 1.00 0.00 O ATOM 204 CB LEU A 19 -1.677 24.991 -22.790 1.00 0.00 C ATOM 205 CG LEU A 19 -1.516 25.894 -24.014 1.00 0.00 C ATOM 206 CD1 LEU A 19 -0.189 26.634 -23.961 1.00 0.00 C ATOM 207 CD2 LEU A 19 -1.625 25.080 -25.295 1.00 0.00 C ATOM 0 H LEU A 19 -3.787 26.277 -22.089 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.284 23.712 -23.427 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.427 25.570 -21.901 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.948 24.184 -22.860 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.319 26.631 -24.006 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.092 27.271 -24.840 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.151 27.248 -23.061 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.629 25.914 -23.944 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.508 25.739 -26.156 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.844 24.320 -25.311 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.601 24.597 -25.337 1.00 0.00 H new ATOM 219 N GLY A 20 -2.917 22.238 -21.447 1.00 0.00 N ATOM 220 CA GLY A 20 -2.917 21.361 -20.290 1.00 0.00 C ATOM 221 C GLY A 20 -2.158 20.072 -20.540 1.00 0.00 C ATOM 222 O GLY A 20 -2.760 19.028 -20.794 1.00 0.00 O ATOM 0 H GLY A 20 -2.784 21.767 -22.342 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.472 21.883 -19.442 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.945 21.126 -20.016 1.00 0.00 H new ATOM 226 N PHE A 21 -0.833 20.144 -20.469 1.00 0.00 N ATOM 227 CA PHE A 21 0.009 18.975 -20.692 1.00 0.00 C ATOM 228 C PHE A 21 1.040 18.827 -19.577 1.00 0.00 C ATOM 229 O PHE A 21 1.921 19.671 -19.415 1.00 0.00 O ATOM 230 CB PHE A 21 0.716 19.080 -22.045 1.00 0.00 C ATOM 231 CG PHE A 21 -0.213 18.950 -23.218 1.00 0.00 C ATOM 232 CD1 PHE A 21 -0.854 20.063 -23.738 1.00 0.00 C ATOM 233 CD2 PHE A 21 -0.446 17.715 -23.802 1.00 0.00 C ATOM 234 CE1 PHE A 21 -1.710 19.947 -24.816 1.00 0.00 C ATOM 235 CE2 PHE A 21 -1.300 17.592 -24.881 1.00 0.00 C ATOM 236 CZ PHE A 21 -1.932 18.710 -25.390 1.00 0.00 C ATOM 0 H PHE A 21 -0.319 21.000 -20.259 1.00 0.00 H new ATOM 0 HA PHE A 21 -0.630 18.092 -20.691 1.00 0.00 H new ATOM 0 HB2 PHE A 21 1.231 20.039 -22.104 1.00 0.00 H new ATOM 0 HB3 PHE A 21 1.479 18.304 -22.108 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -0.682 21.033 -23.295 1.00 0.00 H new ATOM 0 HD2 PHE A 21 0.046 16.838 -23.409 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -2.205 20.822 -25.210 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -1.473 16.623 -25.326 1.00 0.00 H new ATOM 0 HZ PHE A 21 -2.598 18.617 -26.235 1.00 0.00 H new ATOM 246 N GLY A 22 0.923 17.748 -18.809 1.00 0.00 N ATOM 247 CA GLY A 22 1.850 17.508 -17.719 1.00 0.00 C ATOM 248 C GLY A 22 2.986 16.587 -18.116 1.00 0.00 C ATOM 249 O GLY A 22 3.468 16.637 -19.248 1.00 0.00 O ATOM 0 H GLY A 22 0.202 17.035 -18.923 1.00 0.00 H new ATOM 0 HA2 GLY A 22 2.260 18.459 -17.378 1.00 0.00 H new ATOM 0 HA3 GLY A 22 1.311 17.073 -16.877 1.00 0.00 H new ATOM 253 N ASP A 23 3.417 15.746 -17.183 1.00 0.00 N ATOM 254 CA ASP A 23 4.505 14.809 -17.441 1.00 0.00 C ATOM 255 C ASP A 23 4.264 13.485 -16.723 1.00 0.00 C ATOM 256 O ASP A 23 3.989 13.457 -15.523 1.00 0.00 O ATOM 257 CB ASP A 23 5.839 15.410 -16.995 1.00 0.00 C ATOM 258 CG ASP A 23 5.713 16.215 -15.716 1.00 0.00 C ATOM 259 OD1 ASP A 23 5.473 15.606 -14.652 1.00 0.00 O ATOM 260 OD2 ASP A 23 5.856 17.453 -15.779 1.00 0.00 O ATOM 0 H ASP A 23 3.030 15.693 -16.241 1.00 0.00 H new ATOM 0 HA ASP A 23 4.541 14.618 -18.514 1.00 0.00 H new ATOM 0 HB2 ASP A 23 6.563 14.609 -16.847 1.00 0.00 H new ATOM 0 HB3 ASP A 23 6.229 16.050 -17.787 1.00 0.00 H new ATOM 265 N LYS A 24 4.367 12.388 -17.466 1.00 0.00 N ATOM 266 CA LYS A 24 4.161 11.059 -16.903 1.00 0.00 C ATOM 267 C LYS A 24 5.372 10.167 -17.155 1.00 0.00 C ATOM 268 O LYS A 24 5.813 10.010 -18.294 1.00 0.00 O ATOM 269 CB LYS A 24 2.907 10.418 -17.503 1.00 0.00 C ATOM 270 CG LYS A 24 1.633 11.195 -17.223 1.00 0.00 C ATOM 271 CD LYS A 24 1.232 11.100 -15.760 1.00 0.00 C ATOM 272 CE LYS A 24 0.451 9.825 -15.478 1.00 0.00 C ATOM 273 NZ LYS A 24 -0.944 9.903 -15.993 1.00 0.00 N ATOM 0 H LYS A 24 4.592 12.394 -18.461 1.00 0.00 H new ATOM 0 HA LYS A 24 4.028 11.164 -15.826 1.00 0.00 H new ATOM 0 HB2 LYS A 24 3.037 10.326 -18.581 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.801 9.408 -17.107 1.00 0.00 H new ATOM 0 HG2 LYS A 24 1.776 12.241 -17.495 1.00 0.00 H new ATOM 0 HG3 LYS A 24 0.827 10.811 -17.848 1.00 0.00 H new ATOM 0 HD2 LYS A 24 2.124 11.127 -15.135 1.00 0.00 H new ATOM 0 HD3 LYS A 24 0.627 11.966 -15.490 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.961 8.978 -15.937 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.432 9.641 -14.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.491 9.093 -15.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.385 10.788 -15.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.932 9.882 -17.033 1.00 0.00 H new ATOM 287 N PHE A 25 5.905 9.584 -16.086 1.00 0.00 N ATOM 288 CA PHE A 25 7.065 8.707 -16.192 1.00 0.00 C ATOM 289 C PHE A 25 6.678 7.258 -15.913 1.00 0.00 C ATOM 290 O PHE A 25 5.626 6.984 -15.335 1.00 0.00 O ATOM 291 CB PHE A 25 8.158 9.152 -15.218 1.00 0.00 C ATOM 292 CG PHE A 25 9.518 8.613 -15.557 1.00 0.00 C ATOM 293 CD1 PHE A 25 10.258 9.165 -16.590 1.00 0.00 C ATOM 294 CD2 PHE A 25 10.057 7.556 -14.842 1.00 0.00 C ATOM 295 CE1 PHE A 25 11.510 8.671 -16.904 1.00 0.00 C ATOM 296 CE2 PHE A 25 11.309 7.058 -15.152 1.00 0.00 C ATOM 297 CZ PHE A 25 12.036 7.617 -16.184 1.00 0.00 C ATOM 0 H PHE A 25 5.552 9.703 -15.137 1.00 0.00 H new ATOM 0 HA PHE A 25 7.447 8.773 -17.211 1.00 0.00 H new ATOM 0 HB2 PHE A 25 8.200 10.241 -15.205 1.00 0.00 H new ATOM 0 HB3 PHE A 25 7.889 8.831 -14.212 1.00 0.00 H new ATOM 0 HD1 PHE A 25 9.852 9.990 -17.156 1.00 0.00 H new ATOM 0 HD2 PHE A 25 9.493 7.116 -14.033 1.00 0.00 H new ATOM 0 HE1 PHE A 25 12.077 9.109 -17.712 1.00 0.00 H new ATOM 0 HE2 PHE A 25 11.718 6.233 -14.588 1.00 0.00 H new ATOM 0 HZ PHE A 25 13.015 7.230 -16.428 1.00 0.00 H new ATOM 307 N LYS A 26 7.536 6.332 -16.329 1.00 0.00 N ATOM 308 CA LYS A 26 7.287 4.910 -16.124 1.00 0.00 C ATOM 309 C LYS A 26 6.701 4.654 -14.739 1.00 0.00 C ATOM 310 O LYS A 26 5.686 3.972 -14.601 1.00 0.00 O ATOM 311 CB LYS A 26 8.583 4.115 -16.296 1.00 0.00 C ATOM 312 CG LYS A 26 8.385 2.610 -16.237 1.00 0.00 C ATOM 313 CD LYS A 26 8.097 2.031 -17.612 1.00 0.00 C ATOM 314 CE LYS A 26 9.380 1.652 -18.337 1.00 0.00 C ATOM 315 NZ LYS A 26 10.160 2.851 -18.748 1.00 0.00 N ATOM 0 H LYS A 26 8.410 6.541 -16.810 1.00 0.00 H new ATOM 0 HA LYS A 26 6.564 4.582 -16.871 1.00 0.00 H new ATOM 0 HB2 LYS A 26 9.036 4.376 -17.253 1.00 0.00 H new ATOM 0 HB3 LYS A 26 9.287 4.411 -15.519 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.278 2.141 -15.823 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.561 2.377 -15.563 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.461 1.151 -17.512 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.544 2.759 -18.206 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.992 1.026 -17.688 1.00 0.00 H new ATOM 0 HE3 LYS A 26 9.137 1.057 -19.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 10.845 2.584 -19.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.513 3.574 -19.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 10.668 3.234 -17.925 1.00 0.00 H new ATOM 329 N ARG A 27 7.346 5.207 -13.717 1.00 0.00 N ATOM 330 CA ARG A 27 6.888 5.038 -12.343 1.00 0.00 C ATOM 331 C ARG A 27 5.477 5.591 -12.169 1.00 0.00 C ATOM 332 O ARG A 27 5.100 6.599 -12.767 1.00 0.00 O ATOM 333 CB ARG A 27 7.844 5.737 -11.375 1.00 0.00 C ATOM 334 CG ARG A 27 7.724 7.252 -11.387 1.00 0.00 C ATOM 335 CD ARG A 27 8.834 7.906 -10.580 1.00 0.00 C ATOM 336 NE ARG A 27 8.433 9.206 -10.050 1.00 0.00 N ATOM 337 CZ ARG A 27 7.757 9.362 -8.917 1.00 0.00 C ATOM 338 NH1 ARG A 27 7.408 8.303 -8.199 1.00 0.00 N ATOM 339 NH2 ARG A 27 7.428 10.578 -8.501 1.00 0.00 N ATOM 0 H ARG A 27 8.187 5.776 -13.814 1.00 0.00 H new ATOM 0 HA ARG A 27 6.872 3.971 -12.120 1.00 0.00 H new ATOM 0 HB2 ARG A 27 7.654 5.374 -10.365 1.00 0.00 H new ATOM 0 HB3 ARG A 27 8.868 5.460 -11.626 1.00 0.00 H new ATOM 0 HG2 ARG A 27 7.759 7.613 -12.415 1.00 0.00 H new ATOM 0 HG3 ARG A 27 6.756 7.544 -10.980 1.00 0.00 H new ATOM 0 HD2 ARG A 27 9.118 7.251 -9.756 1.00 0.00 H new ATOM 0 HD3 ARG A 27 9.716 8.027 -11.209 1.00 0.00 H new ATOM 0 HE ARG A 27 8.686 10.041 -10.579 1.00 0.00 H new ATOM 0 HH11 ARG A 27 7.659 7.367 -8.516 1.00 0.00 H new ATOM 0 HH12 ARG A 27 6.889 8.425 -7.329 1.00 0.00 H new ATOM 0 HH21 ARG A 27 7.694 11.395 -9.051 1.00 0.00 H new ATOM 0 HH22 ARG A 27 6.909 10.696 -7.631 1.00 0.00 H new ATOM 353 N PRO A 28 4.676 4.916 -11.331 1.00 0.00 N ATOM 354 CA PRO A 28 3.294 5.321 -11.059 1.00 0.00 C ATOM 355 C PRO A 28 3.216 6.611 -10.249 1.00 0.00 C ATOM 356 O PRO A 28 4.205 7.042 -9.654 1.00 0.00 O ATOM 357 CB PRO A 28 2.733 4.148 -10.250 1.00 0.00 C ATOM 358 CG PRO A 28 3.926 3.524 -9.613 1.00 0.00 C ATOM 359 CD PRO A 28 5.058 3.706 -10.585 1.00 0.00 C ATOM 0 HA PRO A 28 2.742 5.527 -11.976 1.00 0.00 H new ATOM 0 HB2 PRO A 28 2.017 4.489 -9.502 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.210 3.439 -10.891 1.00 0.00 H new ATOM 0 HG2 PRO A 28 4.152 3.999 -8.658 1.00 0.00 H new ATOM 0 HG3 PRO A 28 3.752 2.467 -9.410 1.00 0.00 H new ATOM 0 HD2 PRO A 28 6.011 3.834 -10.072 1.00 0.00 H new ATOM 0 HD3 PRO A 28 5.164 2.844 -11.244 1.00 0.00 H new ATOM 367 N ILE A 29 2.037 7.223 -10.231 1.00 0.00 N ATOM 368 CA ILE A 29 1.832 8.463 -9.493 1.00 0.00 C ATOM 369 C ILE A 29 1.416 8.184 -8.053 1.00 0.00 C ATOM 370 O ILE A 29 0.362 7.600 -7.802 1.00 0.00 O ATOM 371 CB ILE A 29 0.762 9.346 -10.162 1.00 0.00 C ATOM 372 CG1 ILE A 29 1.179 9.695 -11.593 1.00 0.00 C ATOM 373 CG2 ILE A 29 0.533 10.611 -9.348 1.00 0.00 C ATOM 374 CD1 ILE A 29 2.529 10.372 -11.680 1.00 0.00 C ATOM 0 H ILE A 29 1.209 6.880 -10.719 1.00 0.00 H new ATOM 0 HA ILE A 29 2.784 8.993 -9.497 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.174 8.789 -10.202 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.200 8.783 -12.190 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.425 10.347 -12.034 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -0.226 11.224 -9.834 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.196 10.343 -8.346 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.464 11.173 -9.279 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.760 10.590 -12.723 1.00 0.00 H new ATOM 0 HD12 ILE A 29 2.507 11.301 -11.111 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.294 9.713 -11.269 1.00 0.00 H new ATOM 386 N GLY A 30 2.252 8.606 -7.109 1.00 0.00 N ATOM 387 CA GLY A 30 1.953 8.393 -5.705 1.00 0.00 C ATOM 388 C GLY A 30 1.224 7.087 -5.458 1.00 0.00 C ATOM 389 O GLY A 30 0.296 7.029 -4.652 1.00 0.00 O ATOM 0 H GLY A 30 3.130 9.091 -7.291 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.881 8.401 -5.134 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.345 9.220 -5.337 1.00 0.00 H new ATOM 393 N SER A 31 1.644 6.036 -6.155 1.00 0.00 N ATOM 394 CA SER A 31 1.022 4.725 -6.012 1.00 0.00 C ATOM 395 C SER A 31 2.075 3.647 -5.776 1.00 0.00 C ATOM 396 O SER A 31 3.221 3.779 -6.203 1.00 0.00 O ATOM 397 CB SER A 31 0.201 4.388 -7.258 1.00 0.00 C ATOM 398 OG SER A 31 -1.139 4.829 -7.121 1.00 0.00 O ATOM 0 H SER A 31 2.413 6.067 -6.825 1.00 0.00 H new ATOM 0 HA SER A 31 0.360 4.757 -5.147 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.653 4.855 -8.133 1.00 0.00 H new ATOM 0 HB3 SER A 31 0.217 3.311 -7.428 1.00 0.00 H new ATOM 0 HG SER A 31 -1.502 4.513 -6.267 1.00 0.00 H new ATOM 404 N TRP A 32 1.676 2.580 -5.093 1.00 0.00 N ATOM 405 CA TRP A 32 2.584 1.477 -4.799 1.00 0.00 C ATOM 406 C TRP A 32 2.059 0.169 -5.380 1.00 0.00 C ATOM 407 O TRP A 32 0.977 -0.291 -5.015 1.00 0.00 O ATOM 408 CB TRP A 32 2.778 1.338 -3.288 1.00 0.00 C ATOM 409 CG TRP A 32 1.489 1.232 -2.531 1.00 0.00 C ATOM 410 CD1 TRP A 32 0.678 2.261 -2.147 1.00 0.00 C ATOM 411 CD2 TRP A 32 0.865 0.031 -2.066 1.00 0.00 C ATOM 412 NE1 TRP A 32 -0.414 1.771 -1.470 1.00 0.00 N ATOM 413 CE2 TRP A 32 -0.323 0.406 -1.408 1.00 0.00 C ATOM 414 CE3 TRP A 32 1.192 -1.326 -2.143 1.00 0.00 C ATOM 415 CZ2 TRP A 32 -1.181 -0.527 -0.831 1.00 0.00 C ATOM 416 CZ3 TRP A 32 0.340 -2.250 -1.569 1.00 0.00 C ATOM 417 CH2 TRP A 32 -0.835 -1.848 -0.921 1.00 0.00 C ATOM 0 H TRP A 32 0.730 2.455 -4.732 1.00 0.00 H new ATOM 0 HA TRP A 32 3.546 1.698 -5.263 1.00 0.00 H new ATOM 0 HB2 TRP A 32 3.383 0.454 -3.086 1.00 0.00 H new ATOM 0 HB3 TRP A 32 3.337 2.198 -2.920 1.00 0.00 H new ATOM 0 HD1 TRP A 32 0.866 3.306 -2.346 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -1.169 2.333 -1.078 1.00 0.00 H new ATOM 0 HE3 TRP A 32 2.094 -1.646 -2.642 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -2.087 -0.219 -0.330 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 0.584 -3.301 -1.621 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -1.481 -2.595 -0.484 1.00 0.00 H new ATOM 428 N GLU A 33 2.830 -0.425 -6.284 1.00 0.00 N ATOM 429 CA GLU A 33 2.440 -1.680 -6.915 1.00 0.00 C ATOM 430 C GLU A 33 2.475 -2.828 -5.910 1.00 0.00 C ATOM 431 O GLU A 33 3.410 -2.946 -5.117 1.00 0.00 O ATOM 432 CB GLU A 33 3.363 -1.993 -8.095 1.00 0.00 C ATOM 433 CG GLU A 33 2.940 -3.216 -8.891 1.00 0.00 C ATOM 434 CD GLU A 33 1.883 -2.899 -9.930 1.00 0.00 C ATOM 435 OE1 GLU A 33 0.992 -2.074 -9.637 1.00 0.00 O ATOM 436 OE2 GLU A 33 1.945 -3.476 -11.036 1.00 0.00 O ATOM 0 H GLU A 33 3.729 -0.057 -6.596 1.00 0.00 H new ATOM 0 HA GLU A 33 1.419 -1.570 -7.281 1.00 0.00 H new ATOM 0 HB2 GLU A 33 3.394 -1.130 -8.760 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.376 -2.145 -7.723 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.813 -3.643 -9.385 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.557 -3.975 -8.208 1.00 0.00 H new ATOM 443 N CYS A 34 1.449 -3.672 -5.948 1.00 0.00 N ATOM 444 CA CYS A 34 1.360 -4.809 -5.041 1.00 0.00 C ATOM 445 C CYS A 34 2.365 -5.892 -5.426 1.00 0.00 C ATOM 446 O CYS A 34 3.020 -5.804 -6.464 1.00 0.00 O ATOM 447 CB CYS A 34 -0.057 -5.386 -5.051 1.00 0.00 C ATOM 448 SG CYS A 34 -0.521 -6.245 -3.512 1.00 0.00 S ATOM 0 H CYS A 34 0.667 -3.589 -6.598 1.00 0.00 H new ATOM 0 HA CYS A 34 1.596 -4.460 -4.036 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.766 -4.578 -5.231 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.149 -6.082 -5.885 1.00 0.00 H new ATOM 453 N SER A 35 2.479 -6.912 -4.582 1.00 0.00 N ATOM 454 CA SER A 35 3.406 -8.010 -4.832 1.00 0.00 C ATOM 455 C SER A 35 2.656 -9.330 -4.983 1.00 0.00 C ATOM 456 O SER A 35 3.067 -10.208 -5.742 1.00 0.00 O ATOM 457 CB SER A 35 4.423 -8.116 -3.693 1.00 0.00 C ATOM 458 OG SER A 35 3.852 -8.741 -2.556 1.00 0.00 O ATOM 0 H SER A 35 1.942 -7.001 -3.720 1.00 0.00 H new ATOM 0 HA SER A 35 3.934 -7.803 -5.763 1.00 0.00 H new ATOM 0 HB2 SER A 35 5.290 -8.685 -4.028 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.779 -7.121 -3.425 1.00 0.00 H new ATOM 0 HG SER A 35 4.522 -8.798 -1.843 1.00 0.00 H new ATOM 464 N VAL A 36 1.552 -9.463 -4.255 1.00 0.00 N ATOM 465 CA VAL A 36 0.742 -10.675 -4.308 1.00 0.00 C ATOM 466 C VAL A 36 -0.127 -10.700 -5.560 1.00 0.00 C ATOM 467 O VAL A 36 -0.265 -11.735 -6.213 1.00 0.00 O ATOM 468 CB VAL A 36 -0.161 -10.801 -3.066 1.00 0.00 C ATOM 469 CG1 VAL A 36 0.676 -11.043 -1.819 1.00 0.00 C ATOM 470 CG2 VAL A 36 -1.023 -9.558 -2.907 1.00 0.00 C ATOM 0 H VAL A 36 1.198 -8.746 -3.621 1.00 0.00 H new ATOM 0 HA VAL A 36 1.433 -11.518 -4.332 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.821 -11.658 -3.203 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.021 -11.129 -0.952 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.246 -11.965 -1.936 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.362 -10.209 -1.674 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.655 -9.664 -2.025 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.383 -8.683 -2.792 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.650 -9.435 -3.790 1.00 0.00 H new ATOM 480 N CYS A 37 -0.713 -9.554 -5.890 1.00 0.00 N ATOM 481 CA CYS A 37 -1.570 -9.444 -7.064 1.00 0.00 C ATOM 482 C CYS A 37 -0.947 -8.521 -8.107 1.00 0.00 C ATOM 483 O CYS A 37 -1.328 -8.544 -9.279 1.00 0.00 O ATOM 484 CB CYS A 37 -2.952 -8.922 -6.666 1.00 0.00 C ATOM 485 SG CYS A 37 -2.964 -7.178 -6.138 1.00 0.00 S ATOM 0 H CYS A 37 -0.610 -8.688 -5.361 1.00 0.00 H new ATOM 0 HA CYS A 37 -1.676 -10.437 -7.500 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.630 -9.039 -7.511 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.342 -9.538 -5.856 1.00 0.00 H new ATOM 490 N CYS A 38 0.012 -7.710 -7.674 1.00 0.00 N ATOM 491 CA CYS A 38 0.688 -6.778 -8.570 1.00 0.00 C ATOM 492 C CYS A 38 -0.304 -5.792 -9.179 1.00 0.00 C ATOM 493 O CYS A 38 -0.286 -5.542 -10.384 1.00 0.00 O ATOM 494 CB CYS A 38 1.414 -7.541 -9.679 1.00 0.00 C ATOM 495 SG CYS A 38 2.767 -8.586 -9.093 1.00 0.00 S ATOM 0 H CYS A 38 0.339 -7.679 -6.708 1.00 0.00 H new ATOM 0 HA CYS A 38 1.418 -6.217 -7.987 1.00 0.00 H new ATOM 0 HB2 CYS A 38 0.693 -8.163 -10.210 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.809 -6.825 -10.400 1.00 0.00 H new ATOM 0 HG CYS A 38 3.317 -9.191 -10.104 1.00 0.00 H new ATOM 501 N VAL A 39 -1.170 -5.237 -8.337 1.00 0.00 N ATOM 502 CA VAL A 39 -2.171 -4.279 -8.792 1.00 0.00 C ATOM 503 C VAL A 39 -1.928 -2.901 -8.186 1.00 0.00 C ATOM 504 O VAL A 39 -1.474 -2.783 -7.048 1.00 0.00 O ATOM 505 CB VAL A 39 -3.595 -4.741 -8.432 1.00 0.00 C ATOM 506 CG1 VAL A 39 -4.601 -3.633 -8.703 1.00 0.00 C ATOM 507 CG2 VAL A 39 -3.957 -6.001 -9.205 1.00 0.00 C ATOM 0 H VAL A 39 -1.199 -5.434 -7.337 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.080 -4.218 -9.876 1.00 0.00 H new ATOM 0 HB VAL A 39 -3.625 -4.973 -7.367 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.602 -3.978 -8.443 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.351 -2.759 -8.102 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -4.573 -3.366 -9.760 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.967 -6.314 -8.939 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.911 -5.797 -10.275 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.253 -6.795 -8.956 1.00 0.00 H new ATOM 517 N SER A 40 -2.233 -1.861 -8.955 1.00 0.00 N ATOM 518 CA SER A 40 -2.044 -0.489 -8.496 1.00 0.00 C ATOM 519 C SER A 40 -2.850 -0.226 -7.227 1.00 0.00 C ATOM 520 O SER A 40 -3.984 -0.685 -7.093 1.00 0.00 O ATOM 521 CB SER A 40 -2.455 0.498 -9.589 1.00 0.00 C ATOM 522 OG SER A 40 -3.811 0.315 -9.959 1.00 0.00 O ATOM 0 H SER A 40 -2.612 -1.942 -9.899 1.00 0.00 H new ATOM 0 HA SER A 40 -0.987 -0.349 -8.270 1.00 0.00 H new ATOM 0 HB2 SER A 40 -2.306 1.519 -9.236 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.816 0.366 -10.462 1.00 0.00 H new ATOM 0 HG SER A 40 -4.049 0.959 -10.658 1.00 0.00 H new ATOM 528 N ASN A 41 -2.256 0.517 -6.300 1.00 0.00 N ATOM 529 CA ASN A 41 -2.917 0.842 -5.041 1.00 0.00 C ATOM 530 C ASN A 41 -2.784 2.329 -4.725 1.00 0.00 C ATOM 531 O ASN A 41 -2.053 3.054 -5.398 1.00 0.00 O ATOM 532 CB ASN A 41 -2.326 0.011 -3.901 1.00 0.00 C ATOM 533 CG ASN A 41 -1.968 -1.396 -4.336 1.00 0.00 C ATOM 534 OD1 ASN A 41 -2.938 -2.105 -4.902 1.00 0.00 O flip ATOM 535 ND2 ASN A 41 -0.832 -1.841 -4.167 1.00 0.00 N flip ATOM 0 H ASN A 41 -1.318 0.906 -6.396 1.00 0.00 H new ATOM 0 HA ASN A 41 -3.976 0.604 -5.143 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -1.435 0.508 -3.518 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -3.042 -0.037 -3.081 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -0.117 -1.261 -3.728 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -0.606 -2.790 -4.466 1.00 0.00 H new ATOM 542 N ASN A 42 -3.495 2.775 -3.694 1.00 0.00 N ATOM 543 CA ASN A 42 -3.456 4.175 -3.288 1.00 0.00 C ATOM 544 C ASN A 42 -2.478 4.380 -2.134 1.00 0.00 C ATOM 545 O ASN A 42 -2.427 3.578 -1.202 1.00 0.00 O ATOM 546 CB ASN A 42 -4.852 4.648 -2.878 1.00 0.00 C ATOM 547 CG ASN A 42 -5.838 4.603 -4.029 1.00 0.00 C ATOM 548 OD1 ASN A 42 -5.464 4.776 -5.189 1.00 0.00 O ATOM 549 ND2 ASN A 42 -7.107 4.369 -3.712 1.00 0.00 N ATOM 0 H ASN A 42 -4.105 2.187 -3.125 1.00 0.00 H new ATOM 0 HA ASN A 42 -3.115 4.765 -4.139 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -5.220 4.024 -2.063 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -4.790 5.667 -2.496 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -7.816 4.327 -4.444 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.372 4.231 -2.737 1.00 0.00 H new ATOM 556 N ALA A 43 -1.706 5.459 -2.205 1.00 0.00 N ATOM 557 CA ALA A 43 -0.732 5.770 -1.165 1.00 0.00 C ATOM 558 C ALA A 43 -1.372 5.723 0.218 1.00 0.00 C ATOM 559 O ALA A 43 -0.957 4.946 1.077 1.00 0.00 O ATOM 560 CB ALA A 43 -0.112 7.137 -1.416 1.00 0.00 C ATOM 0 H ALA A 43 -1.736 6.132 -2.971 1.00 0.00 H new ATOM 0 HA ALA A 43 0.053 5.015 -1.199 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.613 7.357 -0.633 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.389 7.137 -2.384 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.893 7.897 -1.411 1.00 0.00 H new ATOM 566 N GLU A 44 -2.383 6.561 0.426 1.00 0.00 N ATOM 567 CA GLU A 44 -3.078 6.614 1.707 1.00 0.00 C ATOM 568 C GLU A 44 -3.507 5.219 2.152 1.00 0.00 C ATOM 569 O GLU A 44 -3.428 4.881 3.333 1.00 0.00 O ATOM 570 CB GLU A 44 -4.301 7.529 1.611 1.00 0.00 C ATOM 571 CG GLU A 44 -5.075 7.376 0.313 1.00 0.00 C ATOM 572 CD GLU A 44 -4.586 8.316 -0.772 1.00 0.00 C ATOM 573 OE1 GLU A 44 -3.933 9.325 -0.432 1.00 0.00 O ATOM 574 OE2 GLU A 44 -4.857 8.044 -1.961 1.00 0.00 O ATOM 0 H GLU A 44 -2.738 7.211 -0.275 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.388 7.017 2.449 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.967 7.320 2.448 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.978 8.565 1.712 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.990 6.347 -0.037 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.132 7.562 0.501 1.00 0.00 H new ATOM 581 N ASP A 45 -3.963 4.414 1.198 1.00 0.00 N ATOM 582 CA ASP A 45 -4.404 3.056 1.491 1.00 0.00 C ATOM 583 C ASP A 45 -3.259 2.222 2.056 1.00 0.00 C ATOM 584 O ASP A 45 -2.298 1.912 1.352 1.00 0.00 O ATOM 585 CB ASP A 45 -4.959 2.394 0.228 1.00 0.00 C ATOM 586 CG ASP A 45 -6.267 3.013 -0.223 1.00 0.00 C ATOM 587 OD1 ASP A 45 -6.487 4.209 0.062 1.00 0.00 O ATOM 588 OD2 ASP A 45 -7.072 2.302 -0.862 1.00 0.00 O ATOM 0 H ASP A 45 -4.037 4.679 0.216 1.00 0.00 H new ATOM 0 HA ASP A 45 -5.193 3.111 2.241 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -4.226 2.477 -0.574 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -5.109 1.331 0.415 1.00 0.00 H new ATOM 593 N ASN A 46 -3.368 1.862 3.330 1.00 0.00 N ATOM 594 CA ASN A 46 -2.340 1.065 3.990 1.00 0.00 C ATOM 595 C ASN A 46 -2.356 -0.373 3.481 1.00 0.00 C ATOM 596 O ASN A 46 -1.392 -1.118 3.659 1.00 0.00 O ATOM 597 CB ASN A 46 -2.547 1.084 5.506 1.00 0.00 C ATOM 598 CG ASN A 46 -3.992 0.840 5.896 1.00 0.00 C ATOM 599 OD1 ASN A 46 -4.891 1.566 5.473 1.00 0.00 O ATOM 600 ND2 ASN A 46 -4.221 -0.186 6.708 1.00 0.00 N ATOM 0 H ASN A 46 -4.158 2.109 3.926 1.00 0.00 H new ATOM 0 HA ASN A 46 -1.370 1.503 3.757 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -1.916 0.323 5.966 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -2.224 2.047 5.902 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -5.173 -0.398 7.005 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -3.445 -0.761 7.034 1.00 0.00 H new ATOM 607 N LYS A 47 -3.458 -0.758 2.847 1.00 0.00 N ATOM 608 CA LYS A 47 -3.601 -2.106 2.309 1.00 0.00 C ATOM 609 C LYS A 47 -4.047 -2.066 0.851 1.00 0.00 C ATOM 610 O LYS A 47 -4.340 -0.999 0.310 1.00 0.00 O ATOM 611 CB LYS A 47 -4.609 -2.904 3.139 1.00 0.00 C ATOM 612 CG LYS A 47 -4.065 -3.361 4.482 1.00 0.00 C ATOM 613 CD LYS A 47 -4.998 -4.355 5.153 1.00 0.00 C ATOM 614 CE LYS A 47 -4.254 -5.239 6.141 1.00 0.00 C ATOM 615 NZ LYS A 47 -5.175 -6.156 6.868 1.00 0.00 N ATOM 0 H LYS A 47 -4.266 -0.155 2.693 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.628 -2.595 2.360 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.496 -2.292 3.305 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.926 -3.777 2.569 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.085 -3.818 4.342 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.924 -2.497 5.132 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.792 -3.817 5.671 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.475 -4.976 4.395 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.503 -5.824 5.610 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.723 -4.614 6.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.629 -6.742 7.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.876 -5.598 7.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.664 -6.770 6.186 1.00 0.00 H new ATOM 629 N CYS A 48 -4.096 -3.234 0.219 1.00 0.00 N ATOM 630 CA CYS A 48 -4.506 -3.333 -1.176 1.00 0.00 C ATOM 631 C CYS A 48 -6.022 -3.219 -1.306 1.00 0.00 C ATOM 632 O CYS A 48 -6.739 -3.151 -0.307 1.00 0.00 O ATOM 633 CB CYS A 48 -4.029 -4.657 -1.777 1.00 0.00 C ATOM 634 SG CYS A 48 -3.799 -4.613 -3.583 1.00 0.00 S ATOM 0 H CYS A 48 -3.856 -4.126 0.652 1.00 0.00 H new ATOM 0 HA CYS A 48 -4.049 -2.508 -1.723 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -3.086 -4.938 -1.308 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -4.751 -5.436 -1.532 1.00 0.00 H new ATOM 639 N VAL A 49 -6.505 -3.200 -2.545 1.00 0.00 N ATOM 640 CA VAL A 49 -7.935 -3.097 -2.807 1.00 0.00 C ATOM 641 C VAL A 49 -8.449 -4.328 -3.544 1.00 0.00 C ATOM 642 O VAL A 49 -9.582 -4.761 -3.335 1.00 0.00 O ATOM 643 CB VAL A 49 -8.264 -1.841 -3.635 1.00 0.00 C ATOM 644 CG1 VAL A 49 -7.787 -0.587 -2.918 1.00 0.00 C ATOM 645 CG2 VAL A 49 -7.646 -1.940 -5.021 1.00 0.00 C ATOM 0 H VAL A 49 -5.926 -3.255 -3.383 1.00 0.00 H new ATOM 0 HA VAL A 49 -8.430 -3.025 -1.839 1.00 0.00 H new ATOM 0 HB VAL A 49 -9.346 -1.776 -3.748 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -8.029 0.290 -3.519 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -8.282 -0.511 -1.950 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.708 -0.640 -2.771 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.889 -1.044 -5.592 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.564 -2.031 -4.931 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -8.042 -2.816 -5.534 1.00 0.00 H new ATOM 655 N SER A 50 -7.608 -4.888 -4.408 1.00 0.00 N ATOM 656 CA SER A 50 -7.979 -6.068 -5.180 1.00 0.00 C ATOM 657 C SER A 50 -7.846 -7.333 -4.336 1.00 0.00 C ATOM 658 O SER A 50 -8.719 -8.201 -4.356 1.00 0.00 O ATOM 659 CB SER A 50 -7.104 -6.181 -6.430 1.00 0.00 C ATOM 660 OG SER A 50 -7.391 -7.370 -7.147 1.00 0.00 O ATOM 0 H SER A 50 -6.665 -4.544 -4.591 1.00 0.00 H new ATOM 0 HA SER A 50 -9.021 -5.962 -5.483 1.00 0.00 H new ATOM 0 HB2 SER A 50 -7.269 -5.316 -7.073 1.00 0.00 H new ATOM 0 HB3 SER A 50 -6.052 -6.170 -6.144 1.00 0.00 H new ATOM 0 HG SER A 50 -6.820 -7.418 -7.942 1.00 0.00 H new ATOM 666 N CYS A 51 -6.747 -7.429 -3.596 1.00 0.00 N ATOM 667 CA CYS A 51 -6.497 -8.587 -2.745 1.00 0.00 C ATOM 668 C CYS A 51 -6.616 -8.213 -1.270 1.00 0.00 C ATOM 669 O CYS A 51 -6.753 -9.081 -0.409 1.00 0.00 O ATOM 670 CB CYS A 51 -5.108 -9.162 -3.026 1.00 0.00 C ATOM 671 SG CYS A 51 -3.736 -8.094 -2.483 1.00 0.00 S ATOM 0 H CYS A 51 -6.015 -6.719 -3.568 1.00 0.00 H new ATOM 0 HA CYS A 51 -7.248 -9.343 -2.972 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -5.020 -10.129 -2.530 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -5.011 -9.343 -4.097 1.00 0.00 H new ATOM 676 N MET A 52 -6.562 -6.915 -0.988 1.00 0.00 N ATOM 677 CA MET A 52 -6.665 -6.427 0.382 1.00 0.00 C ATOM 678 C MET A 52 -5.564 -7.020 1.255 1.00 0.00 C ATOM 679 O MET A 52 -5.826 -7.509 2.354 1.00 0.00 O ATOM 680 CB MET A 52 -8.037 -6.770 0.967 1.00 0.00 C ATOM 681 CG MET A 52 -9.129 -5.789 0.574 1.00 0.00 C ATOM 682 SD MET A 52 -10.746 -6.253 1.222 1.00 0.00 S ATOM 683 CE MET A 52 -11.826 -5.346 0.117 1.00 0.00 C ATOM 0 H MET A 52 -6.448 -6.183 -1.689 1.00 0.00 H new ATOM 0 HA MET A 52 -6.546 -5.344 0.365 1.00 0.00 H new ATOM 0 HB2 MET A 52 -8.323 -7.769 0.639 1.00 0.00 H new ATOM 0 HB3 MET A 52 -7.962 -6.801 2.054 1.00 0.00 H new ATOM 0 HG2 MET A 52 -8.868 -4.795 0.938 1.00 0.00 H new ATOM 0 HG3 MET A 52 -9.182 -5.727 -0.513 1.00 0.00 H new ATOM 0 HE1 MET A 52 -12.865 -5.531 0.390 1.00 0.00 H new ATOM 0 HE2 MET A 52 -11.614 -4.280 0.196 1.00 0.00 H new ATOM 0 HE3 MET A 52 -11.657 -5.675 -0.908 1.00 0.00 H new ATOM 693 N SER A 53 -4.332 -6.972 0.759 1.00 0.00 N ATOM 694 CA SER A 53 -3.191 -7.509 1.492 1.00 0.00 C ATOM 695 C SER A 53 -2.422 -6.393 2.192 1.00 0.00 C ATOM 696 O SER A 53 -2.762 -5.217 2.066 1.00 0.00 O ATOM 697 CB SER A 53 -2.261 -8.269 0.545 1.00 0.00 C ATOM 698 OG SER A 53 -1.414 -9.151 1.261 1.00 0.00 O ATOM 0 H SER A 53 -4.098 -6.567 -0.147 1.00 0.00 H new ATOM 0 HA SER A 53 -3.568 -8.197 2.249 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.853 -8.833 -0.176 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.657 -7.561 -0.023 1.00 0.00 H new ATOM 0 HG SER A 53 -0.831 -9.626 0.633 1.00 0.00 H new ATOM 704 N GLU A 54 -1.382 -6.771 2.929 1.00 0.00 N ATOM 705 CA GLU A 54 -0.565 -5.803 3.650 1.00 0.00 C ATOM 706 C GLU A 54 0.360 -5.054 2.695 1.00 0.00 C ATOM 707 O GLU A 54 0.943 -5.644 1.785 1.00 0.00 O ATOM 708 CB GLU A 54 0.260 -6.503 4.732 1.00 0.00 C ATOM 709 CG GLU A 54 -0.569 -6.994 5.906 1.00 0.00 C ATOM 710 CD GLU A 54 -0.696 -5.957 7.005 1.00 0.00 C ATOM 711 OE1 GLU A 54 -1.339 -4.914 6.765 1.00 0.00 O ATOM 712 OE2 GLU A 54 -0.153 -6.190 8.106 1.00 0.00 O ATOM 0 H GLU A 54 -1.086 -7.740 3.042 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.233 -5.083 4.122 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.783 -7.350 4.288 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.022 -5.815 5.098 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.563 -7.269 5.554 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.115 -7.897 6.314 1.00 0.00 H new ATOM 719 N LYS A 55 0.489 -3.749 2.908 1.00 0.00 N ATOM 720 CA LYS A 55 1.343 -2.917 2.068 1.00 0.00 C ATOM 721 C LYS A 55 2.790 -2.963 2.548 1.00 0.00 C ATOM 722 O LYS A 55 3.078 -2.846 3.739 1.00 0.00 O ATOM 723 CB LYS A 55 0.841 -1.471 2.068 1.00 0.00 C ATOM 724 CG LYS A 55 1.753 -0.510 1.326 1.00 0.00 C ATOM 725 CD LYS A 55 1.283 0.928 1.470 1.00 0.00 C ATOM 726 CE LYS A 55 2.365 1.912 1.051 1.00 0.00 C ATOM 727 NZ LYS A 55 3.392 2.092 2.114 1.00 0.00 N ATOM 0 H LYS A 55 0.013 -3.244 3.656 1.00 0.00 H new ATOM 0 HA LYS A 55 1.303 -3.310 1.052 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.150 -1.440 1.616 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.733 -1.133 3.099 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.769 -0.602 1.710 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.785 -0.779 0.270 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.392 1.084 0.861 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.999 1.117 2.505 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.845 1.558 0.139 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.910 2.875 0.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.102 2.782 1.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.936 2.438 2.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.856 1.181 2.306 1.00 0.00 H new ATOM 741 N PRO A 56 3.723 -3.136 1.600 1.00 0.00 N ATOM 742 CA PRO A 56 5.156 -3.199 1.903 1.00 0.00 C ATOM 743 C PRO A 56 5.716 -1.852 2.346 1.00 0.00 C ATOM 744 O PRO A 56 5.605 -0.857 1.631 1.00 0.00 O ATOM 745 CB PRO A 56 5.782 -3.626 0.573 1.00 0.00 C ATOM 746 CG PRO A 56 4.815 -3.168 -0.464 1.00 0.00 C ATOM 747 CD PRO A 56 3.452 -3.282 0.160 1.00 0.00 C ATOM 0 HA PRO A 56 5.367 -3.879 2.728 1.00 0.00 H new ATOM 0 HB2 PRO A 56 6.761 -3.168 0.431 1.00 0.00 H new ATOM 0 HB3 PRO A 56 5.926 -4.706 0.531 1.00 0.00 H new ATOM 0 HG2 PRO A 56 5.022 -2.141 -0.764 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.886 -3.782 -1.362 1.00 0.00 H new ATOM 0 HD2 PRO A 56 2.778 -2.506 -0.203 1.00 0.00 H new ATOM 0 HD3 PRO A 56 2.985 -4.241 -0.066 1.00 0.00 H new ATOM 755 N GLY A 57 6.318 -1.827 3.532 1.00 0.00 N ATOM 756 CA GLY A 57 6.886 -0.596 4.049 1.00 0.00 C ATOM 757 C GLY A 57 6.212 -0.140 5.328 1.00 0.00 C ATOM 758 O GLY A 57 6.701 -0.462 6.410 1.00 0.00 O ATOM 0 H GLY A 57 6.422 -2.637 4.143 1.00 0.00 H new ATOM 0 HA2 GLY A 57 7.950 -0.740 4.234 1.00 0.00 H new ATOM 0 HA3 GLY A 57 6.797 0.187 3.296 1.00 0.00 H new TER 762 GLY A 57 HETATM 763 ZN ZN A 201 -2.788 -6.684 -3.953 1.00 0.00 ZN