USER MOD reduce.3.24.130724 H: found=0, std=0, add=365, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 362 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 Set 1.1: A 13 TYR OH : rot 130:sc= -1.22 USER MOD Set 1.2: A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 ASP N :NH3+ -127:sc= 0.181 (180deg=-0.0947) USER MOD Single : A 6 TYR OH : rot 94:sc= 0.669 USER MOD Single : A 7 THR OG1 : rot 63:sc= 1.07 USER MOD Single : A 8 SER OG : rot -6:sc= 0.932 USER MOD Single : A 10 THR OG1 : rot -90:sc= 0.0866 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -0.0367 K(o=-0.037,f=-1.3) USER MOD Single : A 17 SER OG : rot -90:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 SER OG : rot 160:sc= -3.02! USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -1.6 K(o=-1.6,f=-6.5!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot -105:sc= -9.17! USER MOD Single : A 38 GLN : amide:sc= -0.115 K(o=-0.12,f=-2.4!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= -1.92! USER MOD Single : A 46 GLN :FLIP amide:sc= 0.662 F(o=-0.016,f=0.66) USER MOD Single : A 47 SER OG : rot 180:sc= -0.39 USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.239 K(o=-0.24,f=-2.5!) USER MOD Single : A 59 ASN : amide:sc= -0.1 K(o=-0.1,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 9.845 -6.437 -6.527 1.00 0.00 N ATOM 2 CA ASP A 1 8.541 -7.004 -6.828 1.00 0.00 C ATOM 3 C ASP A 1 7.658 -6.930 -5.580 1.00 0.00 C ATOM 4 O ASP A 1 7.992 -7.503 -4.544 1.00 0.00 O ATOM 5 CB ASP A 1 8.660 -8.473 -7.236 1.00 0.00 C ATOM 6 CG ASP A 1 9.743 -8.770 -8.276 1.00 0.00 C ATOM 7 OD1 ASP A 1 10.925 -8.800 -7.871 1.00 0.00 O ATOM 8 OD2 ASP A 1 9.364 -8.960 -9.451 1.00 0.00 O ATOM 0 H1 ASP A 1 10.077 -5.706 -7.230 1.00 0.00 H new ATOM 0 H2 ASP A 1 9.828 -6.012 -5.578 1.00 0.00 H new ATOM 0 H3 ASP A 1 10.565 -7.187 -6.557 1.00 0.00 H new ATOM 0 HA ASP A 1 8.108 -6.435 -7.651 1.00 0.00 H new ATOM 0 HB2 ASP A 1 8.861 -9.067 -6.344 1.00 0.00 H new ATOM 0 HB3 ASP A 1 7.699 -8.804 -7.630 1.00 0.00 H new ATOM 13 N ILE A 2 6.549 -6.219 -5.721 1.00 0.00 N ATOM 14 CA ILE A 2 5.616 -6.062 -4.619 1.00 0.00 C ATOM 15 C ILE A 2 4.624 -7.227 -4.626 1.00 0.00 C ATOM 16 O ILE A 2 4.194 -7.687 -3.570 1.00 0.00 O ATOM 17 CB ILE A 2 4.948 -4.686 -4.673 1.00 0.00 C ATOM 18 CG1 ILE A 2 3.580 -4.768 -5.352 1.00 0.00 C ATOM 19 CG2 ILE A 2 5.862 -3.660 -5.345 1.00 0.00 C ATOM 20 CD1 ILE A 2 2.962 -3.377 -5.508 1.00 0.00 C ATOM 0 H ILE A 2 6.276 -5.745 -6.582 1.00 0.00 H new ATOM 0 HA ILE A 2 6.144 -6.097 -3.666 1.00 0.00 H new ATOM 0 HB ILE A 2 4.780 -4.346 -3.651 1.00 0.00 H new ATOM 0 HG12 ILE A 2 3.683 -5.236 -6.331 1.00 0.00 H new ATOM 0 HG13 ILE A 2 2.916 -5.401 -4.764 1.00 0.00 H new ATOM 0 HG21 ILE A 2 5.364 -2.691 -5.371 1.00 0.00 H new ATOM 0 HG22 ILE A 2 6.791 -3.576 -4.781 1.00 0.00 H new ATOM 0 HG23 ILE A 2 6.083 -3.981 -6.363 1.00 0.00 H new ATOM 0 HD11 ILE A 2 1.990 -3.463 -5.993 1.00 0.00 H new ATOM 0 HD12 ILE A 2 2.838 -2.922 -4.525 1.00 0.00 H new ATOM 0 HD13 ILE A 2 3.617 -2.754 -6.116 1.00 0.00 H new ATOM 32 N GLU A 3 4.291 -7.671 -5.829 1.00 0.00 N ATOM 33 CA GLU A 3 3.359 -8.774 -5.988 1.00 0.00 C ATOM 34 C GLU A 3 3.827 -9.986 -5.179 1.00 0.00 C ATOM 35 O GLU A 3 3.011 -10.789 -4.730 1.00 0.00 O ATOM 36 CB GLU A 3 3.183 -9.135 -7.465 1.00 0.00 C ATOM 37 CG GLU A 3 4.529 -9.467 -8.112 1.00 0.00 C ATOM 38 CD GLU A 3 4.365 -9.745 -9.608 1.00 0.00 C ATOM 39 OE1 GLU A 3 3.505 -10.590 -9.937 1.00 0.00 O ATOM 40 OE2 GLU A 3 5.102 -9.104 -10.388 1.00 0.00 O ATOM 0 H GLU A 3 4.650 -7.287 -6.703 1.00 0.00 H new ATOM 0 HA GLU A 3 2.387 -8.461 -5.606 1.00 0.00 H new ATOM 0 HB2 GLU A 3 2.511 -9.988 -7.557 1.00 0.00 H new ATOM 0 HB3 GLU A 3 2.717 -8.303 -7.993 1.00 0.00 H new ATOM 0 HG2 GLU A 3 5.221 -8.637 -7.966 1.00 0.00 H new ATOM 0 HG3 GLU A 3 4.967 -10.337 -7.623 1.00 0.00 H new ATOM 47 N ASP A 4 5.138 -10.079 -5.019 1.00 0.00 N ATOM 48 CA ASP A 4 5.724 -11.179 -4.272 1.00 0.00 C ATOM 49 C ASP A 4 5.485 -10.960 -2.777 1.00 0.00 C ATOM 50 O ASP A 4 5.740 -11.849 -1.966 1.00 0.00 O ATOM 51 CB ASP A 4 7.235 -11.258 -4.502 1.00 0.00 C ATOM 52 CG ASP A 4 7.713 -12.517 -5.227 1.00 0.00 C ATOM 53 OD1 ASP A 4 7.217 -12.748 -6.351 1.00 0.00 O ATOM 54 OD2 ASP A 4 8.564 -13.221 -4.642 1.00 0.00 O ATOM 0 H ASP A 4 5.812 -9.411 -5.394 1.00 0.00 H new ATOM 0 HA ASP A 4 5.258 -12.103 -4.613 1.00 0.00 H new ATOM 0 HB2 ASP A 4 7.546 -10.386 -5.077 1.00 0.00 H new ATOM 0 HB3 ASP A 4 7.738 -11.200 -3.537 1.00 0.00 H new ATOM 59 N PHE A 5 4.998 -9.770 -2.456 1.00 0.00 N ATOM 60 CA PHE A 5 4.722 -9.422 -1.073 1.00 0.00 C ATOM 61 C PHE A 5 3.270 -8.971 -0.900 1.00 0.00 C ATOM 62 O PHE A 5 2.939 -8.289 0.068 1.00 0.00 O ATOM 63 CB PHE A 5 5.650 -8.262 -0.709 1.00 0.00 C ATOM 64 CG PHE A 5 7.031 -8.700 -0.217 1.00 0.00 C ATOM 65 CD1 PHE A 5 8.041 -8.890 -1.108 1.00 0.00 C ATOM 66 CD2 PHE A 5 7.249 -8.900 1.110 1.00 0.00 C ATOM 67 CE1 PHE A 5 9.323 -9.297 -0.652 1.00 0.00 C ATOM 68 CE2 PHE A 5 8.530 -9.307 1.566 1.00 0.00 C ATOM 69 CZ PHE A 5 9.540 -9.497 0.676 1.00 0.00 C ATOM 0 H PHE A 5 4.788 -9.035 -3.131 1.00 0.00 H new ATOM 0 HA PHE A 5 4.884 -10.289 -0.433 1.00 0.00 H new ATOM 0 HB2 PHE A 5 5.773 -7.621 -1.582 1.00 0.00 H new ATOM 0 HB3 PHE A 5 5.175 -7.659 0.065 1.00 0.00 H new ATOM 0 HD1 PHE A 5 7.868 -8.731 -2.162 1.00 0.00 H new ATOM 0 HD2 PHE A 5 6.447 -8.749 1.817 1.00 0.00 H new ATOM 0 HE1 PHE A 5 10.125 -9.448 -1.359 1.00 0.00 H new ATOM 0 HE2 PHE A 5 8.702 -9.466 2.620 1.00 0.00 H new ATOM 0 HZ PHE A 5 10.515 -9.807 1.023 1.00 0.00 H new ATOM 79 N TYR A 6 2.442 -9.371 -1.855 1.00 0.00 N ATOM 80 CA TYR A 6 1.034 -9.016 -1.821 1.00 0.00 C ATOM 81 C TYR A 6 0.268 -9.908 -0.842 1.00 0.00 C ATOM 82 O TYR A 6 0.219 -11.126 -1.013 1.00 0.00 O ATOM 83 CB TYR A 6 0.504 -9.259 -3.235 1.00 0.00 C ATOM 84 CG TYR A 6 -0.922 -8.751 -3.462 1.00 0.00 C ATOM 85 CD1 TYR A 6 -1.413 -7.711 -2.698 1.00 0.00 C ATOM 86 CD2 TYR A 6 -1.716 -9.332 -4.429 1.00 0.00 C ATOM 87 CE1 TYR A 6 -2.754 -7.233 -2.911 1.00 0.00 C ATOM 88 CE2 TYR A 6 -3.058 -8.854 -4.642 1.00 0.00 C ATOM 89 CZ TYR A 6 -3.510 -7.828 -3.872 1.00 0.00 C ATOM 90 OH TYR A 6 -4.777 -7.376 -4.073 1.00 0.00 O ATOM 0 H TYR A 6 2.720 -9.937 -2.657 1.00 0.00 H new ATOM 0 HA TYR A 6 0.906 -7.983 -1.498 1.00 0.00 H new ATOM 0 HB2 TYR A 6 1.169 -8.774 -3.949 1.00 0.00 H new ATOM 0 HB3 TYR A 6 0.535 -10.328 -3.445 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -0.791 -7.256 -1.941 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -1.331 -10.145 -5.026 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -3.151 -6.420 -2.321 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -3.690 -9.300 -5.395 1.00 0.00 H new ATOM 0 HH TYR A 6 -4.776 -6.706 -4.788 1.00 0.00 H new ATOM 100 N THR A 7 -0.312 -9.268 0.163 1.00 0.00 N ATOM 101 CA THR A 7 -1.074 -9.988 1.169 1.00 0.00 C ATOM 102 C THR A 7 -2.575 -9.796 0.941 1.00 0.00 C ATOM 103 O THR A 7 -3.182 -8.889 1.508 1.00 0.00 O ATOM 104 CB THR A 7 -0.604 -9.515 2.546 1.00 0.00 C ATOM 105 OG1 THR A 7 -0.968 -8.138 2.583 1.00 0.00 O ATOM 106 CG2 THR A 7 0.921 -9.501 2.671 1.00 0.00 C ATOM 0 H THR A 7 -0.269 -8.258 0.302 1.00 0.00 H new ATOM 0 HA THR A 7 -0.902 -11.062 1.101 1.00 0.00 H new ATOM 0 HB THR A 7 -1.025 -10.162 3.315 1.00 0.00 H new ATOM 0 HG1 THR A 7 -1.942 -8.055 2.515 1.00 0.00 H new ATOM 0 HG21 THR A 7 1.201 -9.158 3.667 1.00 0.00 H new ATOM 0 HG22 THR A 7 1.308 -10.507 2.512 1.00 0.00 H new ATOM 0 HG23 THR A 7 1.341 -8.828 1.924 1.00 0.00 H new ATOM 114 N SER A 8 -3.130 -10.665 0.108 1.00 0.00 N ATOM 115 CA SER A 8 -4.548 -10.602 -0.202 1.00 0.00 C ATOM 116 C SER A 8 -5.368 -11.069 1.002 1.00 0.00 C ATOM 117 O SER A 8 -6.598 -11.057 0.963 1.00 0.00 O ATOM 118 CB SER A 8 -4.880 -11.450 -1.431 1.00 0.00 C ATOM 119 OG SER A 8 -6.285 -11.631 -1.591 1.00 0.00 O ATOM 0 H SER A 8 -2.623 -11.416 -0.361 1.00 0.00 H new ATOM 0 HA SER A 8 -4.804 -9.567 -0.428 1.00 0.00 H new ATOM 0 HB2 SER A 8 -4.472 -10.972 -2.322 1.00 0.00 H new ATOM 0 HB3 SER A 8 -4.397 -12.423 -1.341 1.00 0.00 H new ATOM 0 HG SER A 8 -6.754 -11.250 -0.819 1.00 0.00 H new ATOM 125 N GLU A 9 -4.655 -11.470 2.044 1.00 0.00 N ATOM 126 CA GLU A 9 -5.301 -11.940 3.258 1.00 0.00 C ATOM 127 C GLU A 9 -5.814 -10.756 4.079 1.00 0.00 C ATOM 128 O GLU A 9 -6.969 -10.743 4.502 1.00 0.00 O ATOM 129 CB GLU A 9 -4.351 -12.810 4.083 1.00 0.00 C ATOM 130 CG GLU A 9 -5.000 -14.150 4.435 1.00 0.00 C ATOM 131 CD GLU A 9 -4.735 -14.522 5.895 1.00 0.00 C ATOM 132 OE1 GLU A 9 -3.671 -15.130 6.142 1.00 0.00 O ATOM 133 OE2 GLU A 9 -5.601 -14.188 6.732 1.00 0.00 O ATOM 0 H GLU A 9 -3.635 -11.479 2.073 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.154 -12.558 2.977 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -3.432 -12.983 3.523 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.073 -12.285 4.997 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -6.074 -14.095 4.260 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -4.610 -14.930 3.781 1.00 0.00 H new ATOM 140 N THR A 10 -4.930 -9.789 4.280 1.00 0.00 N ATOM 141 CA THR A 10 -5.279 -8.603 5.043 1.00 0.00 C ATOM 142 C THR A 10 -5.657 -7.456 4.103 1.00 0.00 C ATOM 143 O THR A 10 -6.381 -6.542 4.493 1.00 0.00 O ATOM 144 CB THR A 10 -4.104 -8.271 5.965 1.00 0.00 C ATOM 145 OG1 THR A 10 -4.348 -6.926 6.368 1.00 0.00 O ATOM 146 CG2 THR A 10 -2.773 -8.199 5.214 1.00 0.00 C ATOM 0 H THR A 10 -3.973 -9.803 3.928 1.00 0.00 H new ATOM 0 HA THR A 10 -6.158 -8.776 5.663 1.00 0.00 H new ATOM 0 HB THR A 10 -4.037 -9.022 6.752 1.00 0.00 H new ATOM 0 HG1 THR A 10 -3.916 -6.312 5.738 1.00 0.00 H new ATOM 0 HG21 THR A 10 -1.973 -7.961 5.914 1.00 0.00 H new ATOM 0 HG22 THR A 10 -2.569 -9.160 4.743 1.00 0.00 H new ATOM 0 HG23 THR A 10 -2.828 -7.425 4.449 1.00 0.00 H new ATOM 154 N CYS A 11 -5.149 -7.542 2.882 1.00 0.00 N ATOM 155 CA CYS A 11 -5.424 -6.523 1.884 1.00 0.00 C ATOM 156 C CYS A 11 -6.925 -6.533 1.588 1.00 0.00 C ATOM 157 O CYS A 11 -7.531 -7.597 1.466 1.00 0.00 O ATOM 158 CB CYS A 11 -4.592 -6.733 0.617 1.00 0.00 C ATOM 159 SG CYS A 11 -4.692 -5.372 -0.601 1.00 0.00 S ATOM 0 H CYS A 11 -4.549 -8.302 2.562 1.00 0.00 H new ATOM 0 HA CYS A 11 -5.137 -5.545 2.271 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -3.549 -6.870 0.903 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.915 -7.656 0.136 1.00 0.00 H new ATOM 164 N PRO A 12 -7.497 -5.304 1.479 1.00 0.00 N ATOM 165 CA PRO A 12 -8.916 -5.161 1.200 1.00 0.00 C ATOM 166 C PRO A 12 -9.221 -5.471 -0.267 1.00 0.00 C ATOM 167 O PRO A 12 -10.384 -5.563 -0.657 1.00 0.00 O ATOM 168 CB PRO A 12 -9.251 -3.729 1.587 1.00 0.00 C ATOM 169 CG PRO A 12 -7.924 -2.988 1.627 1.00 0.00 C ATOM 170 CD PRO A 12 -6.811 -4.023 1.618 1.00 0.00 C ATOM 0 HA PRO A 12 -9.528 -5.865 1.763 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -9.929 -3.277 0.863 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -9.748 -3.692 2.556 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -7.833 -2.322 0.769 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -7.860 -2.367 2.521 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -6.119 -3.853 0.793 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -6.227 -3.984 2.537 1.00 0.00 H new ATOM 178 N TYR A 13 -8.155 -5.624 -1.039 1.00 0.00 N ATOM 179 CA TYR A 13 -8.294 -5.922 -2.455 1.00 0.00 C ATOM 180 C TYR A 13 -7.770 -7.323 -2.774 1.00 0.00 C ATOM 181 O TYR A 13 -6.852 -7.811 -2.117 1.00 0.00 O ATOM 182 CB TYR A 13 -7.436 -4.890 -3.189 1.00 0.00 C ATOM 183 CG TYR A 13 -7.839 -3.439 -2.917 1.00 0.00 C ATOM 184 CD1 TYR A 13 -8.916 -2.886 -3.580 1.00 0.00 C ATOM 185 CD2 TYR A 13 -7.125 -2.683 -2.010 1.00 0.00 C ATOM 186 CE1 TYR A 13 -9.295 -1.520 -3.324 1.00 0.00 C ATOM 187 CE2 TYR A 13 -7.504 -1.317 -1.754 1.00 0.00 C ATOM 188 CZ TYR A 13 -8.570 -0.804 -2.423 1.00 0.00 C ATOM 189 OH TYR A 13 -8.928 0.486 -2.182 1.00 0.00 O ATOM 0 H TYR A 13 -7.192 -5.547 -0.711 1.00 0.00 H new ATOM 0 HA TYR A 13 -9.341 -5.884 -2.754 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -6.394 -5.027 -2.900 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -7.497 -5.078 -4.261 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -9.474 -3.477 -4.291 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -6.282 -3.115 -1.492 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -10.135 -1.075 -3.836 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -6.954 -0.714 -1.047 1.00 0.00 H new ATOM 0 HH TYR A 13 -9.001 0.630 -1.215 1.00 0.00 H new ATOM 199 N LYS A 14 -8.376 -7.931 -3.783 1.00 0.00 N ATOM 200 CA LYS A 14 -7.982 -9.267 -4.198 1.00 0.00 C ATOM 201 C LYS A 14 -7.932 -9.328 -5.726 1.00 0.00 C ATOM 202 O LYS A 14 -8.208 -10.370 -6.318 1.00 0.00 O ATOM 203 CB LYS A 14 -8.902 -10.316 -3.570 1.00 0.00 C ATOM 204 CG LYS A 14 -10.258 -10.350 -4.278 1.00 0.00 C ATOM 205 CD LYS A 14 -11.017 -9.037 -4.074 1.00 0.00 C ATOM 206 CE LYS A 14 -11.084 -8.235 -5.375 1.00 0.00 C ATOM 207 NZ LYS A 14 -12.066 -8.838 -6.304 1.00 0.00 N ATOM 0 H LYS A 14 -9.137 -7.523 -4.326 1.00 0.00 H new ATOM 0 HA LYS A 14 -6.980 -9.498 -3.837 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -8.433 -11.298 -3.628 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -9.045 -10.093 -2.513 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -10.111 -10.528 -5.343 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.851 -11.180 -3.895 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -12.026 -9.247 -3.720 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -10.525 -8.445 -3.302 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -11.364 -7.204 -5.160 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -10.100 -8.207 -5.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -12.100 -8.282 -7.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -11.783 -9.814 -6.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -13.007 -8.842 -5.860 1.00 0.00 H new ATOM 221 N ASN A 15 -7.579 -8.198 -6.320 1.00 0.00 N ATOM 222 CA ASN A 15 -7.489 -8.110 -7.768 1.00 0.00 C ATOM 223 C ASN A 15 -6.019 -8.164 -8.188 1.00 0.00 C ATOM 224 O ASN A 15 -5.638 -8.981 -9.024 1.00 0.00 O ATOM 225 CB ASN A 15 -8.078 -6.794 -8.277 1.00 0.00 C ATOM 226 CG ASN A 15 -8.538 -6.924 -9.731 1.00 0.00 C ATOM 227 OD1 ASN A 15 -8.305 -7.921 -10.395 1.00 0.00 O ATOM 228 ND2 ASN A 15 -9.200 -5.865 -10.186 1.00 0.00 N ATOM 0 H ASN A 15 -7.352 -7.335 -5.825 1.00 0.00 H new ATOM 0 HA ASN A 15 -8.049 -8.944 -8.192 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -8.921 -6.502 -7.650 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -7.332 -6.003 -8.197 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -9.548 -5.854 -11.145 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -9.360 -5.063 -9.576 1.00 0.00 H new ATOM 235 N ASP A 16 -5.232 -7.282 -7.587 1.00 0.00 N ATOM 236 CA ASP A 16 -3.813 -7.219 -7.889 1.00 0.00 C ATOM 237 C ASP A 16 -3.105 -6.385 -6.819 1.00 0.00 C ATOM 238 O ASP A 16 -3.751 -5.656 -6.067 1.00 0.00 O ATOM 239 CB ASP A 16 -3.566 -6.555 -9.245 1.00 0.00 C ATOM 240 CG ASP A 16 -2.366 -7.099 -10.023 1.00 0.00 C ATOM 241 OD1 ASP A 16 -1.965 -8.244 -9.720 1.00 0.00 O ATOM 242 OD2 ASP A 16 -1.877 -6.358 -10.902 1.00 0.00 O ATOM 0 H ASP A 16 -5.551 -6.606 -6.893 1.00 0.00 H new ATOM 0 HA ASP A 16 -3.428 -8.239 -7.912 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -4.460 -6.671 -9.858 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -3.424 -5.486 -9.088 1.00 0.00 H new ATOM 247 N SER A 17 -1.788 -6.519 -6.784 1.00 0.00 N ATOM 248 CA SER A 17 -0.986 -5.787 -5.819 1.00 0.00 C ATOM 249 C SER A 17 -0.816 -4.336 -6.273 1.00 0.00 C ATOM 250 O SER A 17 -0.639 -3.440 -5.449 1.00 0.00 O ATOM 251 CB SER A 17 0.382 -6.446 -5.626 1.00 0.00 C ATOM 252 OG SER A 17 1.085 -6.586 -6.857 1.00 0.00 O ATOM 0 H SER A 17 -1.256 -7.124 -7.409 1.00 0.00 H new ATOM 0 HA SER A 17 -1.506 -5.803 -4.861 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.977 -5.850 -4.934 1.00 0.00 H new ATOM 0 HB3 SER A 17 0.251 -7.427 -5.170 1.00 0.00 H new ATOM 0 HG SER A 17 0.865 -7.450 -7.263 1.00 0.00 H new ATOM 258 N GLN A 18 -0.877 -4.148 -7.583 1.00 0.00 N ATOM 259 CA GLN A 18 -0.733 -2.821 -8.157 1.00 0.00 C ATOM 260 C GLN A 18 -1.995 -1.994 -7.905 1.00 0.00 C ATOM 261 O GLN A 18 -1.928 -0.771 -7.793 1.00 0.00 O ATOM 262 CB GLN A 18 -0.419 -2.901 -9.652 1.00 0.00 C ATOM 263 CG GLN A 18 1.019 -3.371 -9.886 1.00 0.00 C ATOM 264 CD GLN A 18 1.310 -3.520 -11.381 1.00 0.00 C ATOM 265 OE1 GLN A 18 1.594 -2.564 -12.083 1.00 0.00 O ATOM 266 NE2 GLN A 18 1.224 -4.771 -11.826 1.00 0.00 N ATOM 0 H GLN A 18 -1.024 -4.893 -8.264 1.00 0.00 H new ATOM 0 HA GLN A 18 0.106 -2.325 -7.670 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -1.113 -3.587 -10.137 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -0.565 -1.923 -10.111 1.00 0.00 H new ATOM 0 HG2 GLN A 18 1.715 -2.657 -9.446 1.00 0.00 H new ATOM 0 HG3 GLN A 18 1.180 -4.325 -9.384 1.00 0.00 H new ATOM 0 HE21 GLN A 18 0.981 -5.525 -11.184 1.00 0.00 H new ATOM 0 HE22 GLN A 18 1.401 -4.976 -12.809 1.00 0.00 H new ATOM 275 N LEU A 19 -3.117 -2.694 -7.825 1.00 0.00 N ATOM 276 CA LEU A 19 -4.392 -2.040 -7.588 1.00 0.00 C ATOM 277 C LEU A 19 -4.377 -1.387 -6.205 1.00 0.00 C ATOM 278 O LEU A 19 -4.437 -0.164 -6.091 1.00 0.00 O ATOM 279 CB LEU A 19 -5.545 -3.025 -7.791 1.00 0.00 C ATOM 280 CG LEU A 19 -6.923 -2.550 -7.324 1.00 0.00 C ATOM 281 CD1 LEU A 19 -7.618 -1.730 -8.413 1.00 0.00 C ATOM 282 CD2 LEU A 19 -7.780 -3.729 -6.859 1.00 0.00 C ATOM 0 H LEU A 19 -3.169 -3.708 -7.920 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.552 -1.243 -8.314 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.607 -3.268 -8.852 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.304 -3.949 -7.266 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.786 -1.893 -6.465 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.595 -1.405 -8.056 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.011 -0.857 -8.655 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.744 -2.343 -9.306 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -8.754 -3.364 -6.532 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -7.913 -4.430 -7.683 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.285 -4.234 -6.030 1.00 0.00 H new ATOM 294 N ALA A 20 -4.298 -2.233 -5.188 1.00 0.00 N ATOM 295 CA ALA A 20 -4.274 -1.753 -3.816 1.00 0.00 C ATOM 296 C ALA A 20 -3.125 -0.757 -3.648 1.00 0.00 C ATOM 297 O ALA A 20 -3.243 0.211 -2.899 1.00 0.00 O ATOM 298 CB ALA A 20 -4.158 -2.943 -2.861 1.00 0.00 C ATOM 0 H ALA A 20 -4.250 -3.247 -5.286 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.200 -1.231 -3.576 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.140 -2.583 -1.832 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.013 -3.605 -2.999 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.238 -3.489 -3.071 1.00 0.00 H new ATOM 304 N TRP A 21 -2.040 -1.029 -4.358 1.00 0.00 N ATOM 305 CA TRP A 21 -0.871 -0.169 -4.297 1.00 0.00 C ATOM 306 C TRP A 21 -1.219 1.152 -4.986 1.00 0.00 C ATOM 307 O TRP A 21 -0.799 2.219 -4.541 1.00 0.00 O ATOM 308 CB TRP A 21 0.350 -0.858 -4.909 1.00 0.00 C ATOM 309 CG TRP A 21 1.499 0.094 -5.245 1.00 0.00 C ATOM 310 CD1 TRP A 21 1.695 0.783 -6.378 1.00 0.00 C ATOM 311 CD2 TRP A 21 2.610 0.437 -4.390 1.00 0.00 C ATOM 312 NE1 TRP A 21 2.846 1.542 -6.316 1.00 0.00 N ATOM 313 CE2 TRP A 21 3.420 1.324 -5.069 1.00 0.00 C ATOM 314 CE3 TRP A 21 2.920 0.011 -3.087 1.00 0.00 C ATOM 315 CZ2 TRP A 21 4.593 1.862 -4.525 1.00 0.00 C ATOM 316 CZ3 TRP A 21 4.096 0.557 -2.558 1.00 0.00 C ATOM 317 CH2 TRP A 21 4.922 1.452 -3.227 1.00 0.00 C ATOM 0 H TRP A 21 -1.946 -1.833 -4.979 1.00 0.00 H new ATOM 0 HA TRP A 21 -0.600 0.039 -3.262 1.00 0.00 H new ATOM 0 HB2 TRP A 21 0.712 -1.617 -4.215 1.00 0.00 H new ATOM 0 HB3 TRP A 21 0.044 -1.377 -5.818 1.00 0.00 H new ATOM 0 HD1 TRP A 21 1.035 0.749 -7.232 1.00 0.00 H new ATOM 0 HE1 TRP A 21 3.209 2.151 -7.050 1.00 0.00 H new ATOM 0 HE3 TRP A 21 2.301 -0.682 -2.537 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 5.210 2.556 -5.077 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 4.381 0.262 -1.559 1.00 0.00 H new ATOM 0 HH2 TRP A 21 5.813 1.830 -2.748 1.00 0.00 H new ATOM 328 N ASP A 22 -1.984 1.038 -6.062 1.00 0.00 N ATOM 329 CA ASP A 22 -2.394 2.210 -6.817 1.00 0.00 C ATOM 330 C ASP A 22 -3.398 3.017 -5.992 1.00 0.00 C ATOM 331 O ASP A 22 -3.715 4.155 -6.334 1.00 0.00 O ATOM 332 CB ASP A 22 -3.073 1.810 -8.129 1.00 0.00 C ATOM 333 CG ASP A 22 -3.524 2.979 -9.006 1.00 0.00 C ATOM 334 OD1 ASP A 22 -4.452 3.692 -8.568 1.00 0.00 O ATOM 335 OD2 ASP A 22 -2.929 3.134 -10.095 1.00 0.00 O ATOM 0 H ASP A 22 -2.331 0.152 -6.429 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.503 2.798 -7.037 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -2.384 1.190 -8.703 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -3.941 1.193 -7.898 1.00 0.00 H new ATOM 340 N THR A 23 -3.871 2.396 -4.921 1.00 0.00 N ATOM 341 CA THR A 23 -4.833 3.043 -4.045 1.00 0.00 C ATOM 342 C THR A 23 -4.111 3.852 -2.966 1.00 0.00 C ATOM 343 O THR A 23 -4.162 5.081 -2.969 1.00 0.00 O ATOM 344 CB THR A 23 -5.757 1.963 -3.478 1.00 0.00 C ATOM 345 OG1 THR A 23 -6.836 1.906 -4.408 1.00 0.00 O ATOM 346 CG2 THR A 23 -6.419 2.388 -2.166 1.00 0.00 C ATOM 0 H THR A 23 -3.606 1.452 -4.640 1.00 0.00 H new ATOM 0 HA THR A 23 -5.445 3.761 -4.591 1.00 0.00 H new ATOM 0 HB THR A 23 -5.188 1.047 -3.318 1.00 0.00 H new ATOM 0 HG1 THR A 23 -7.482 1.229 -4.118 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.064 1.586 -1.807 1.00 0.00 H new ATOM 0 HG22 THR A 23 -5.651 2.596 -1.422 1.00 0.00 H new ATOM 0 HG23 THR A 23 -7.015 3.285 -2.333 1.00 0.00 H new ATOM 354 N CYS A 24 -3.455 3.130 -2.069 1.00 0.00 N ATOM 355 CA CYS A 24 -2.724 3.766 -0.986 1.00 0.00 C ATOM 356 C CYS A 24 -1.459 4.400 -1.569 1.00 0.00 C ATOM 357 O CYS A 24 -1.256 5.608 -1.453 1.00 0.00 O ATOM 358 CB CYS A 24 -2.402 2.777 0.136 1.00 0.00 C ATOM 359 SG CYS A 24 -0.802 3.064 0.976 1.00 0.00 S ATOM 0 H CYS A 24 -3.415 2.111 -2.070 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.342 4.541 -0.532 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -3.199 2.819 0.878 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -2.404 1.768 -0.276 1.00 0.00 H new ATOM 364 N SER A 25 -0.641 3.557 -2.181 1.00 0.00 N ATOM 365 CA SER A 25 0.598 4.020 -2.782 1.00 0.00 C ATOM 366 C SER A 25 0.308 4.705 -4.118 1.00 0.00 C ATOM 367 O SER A 25 0.898 4.356 -5.140 1.00 0.00 O ATOM 368 CB SER A 25 1.580 2.863 -2.980 1.00 0.00 C ATOM 369 OG SER A 25 0.956 1.595 -2.794 1.00 0.00 O ATOM 0 H SER A 25 -0.812 2.556 -2.274 1.00 0.00 H new ATOM 0 HA SER A 25 1.058 4.740 -2.105 1.00 0.00 H new ATOM 0 HB2 SER A 25 2.004 2.915 -3.983 1.00 0.00 H new ATOM 0 HB3 SER A 25 2.408 2.966 -2.278 1.00 0.00 H new ATOM 0 HG SER A 25 1.492 0.900 -3.230 1.00 0.00 H new ATOM 375 N GLY A 26 -0.599 5.669 -4.068 1.00 0.00 N ATOM 376 CA GLY A 26 -0.975 6.406 -5.263 1.00 0.00 C ATOM 377 C GLY A 26 -1.010 7.911 -4.989 1.00 0.00 C ATOM 378 O GLY A 26 -0.030 8.482 -4.513 1.00 0.00 O ATOM 0 H GLY A 26 -1.085 5.957 -3.219 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.266 6.195 -6.063 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -1.954 6.072 -5.608 1.00 0.00 H new ATOM 382 N GLY A 27 -2.149 8.511 -5.303 1.00 0.00 N ATOM 383 CA GLY A 27 -2.325 9.938 -5.097 1.00 0.00 C ATOM 384 C GLY A 27 -3.233 10.211 -3.896 1.00 0.00 C ATOM 385 O GLY A 27 -2.847 10.925 -2.971 1.00 0.00 O ATOM 0 H GLY A 27 -2.959 8.034 -5.699 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.355 10.408 -4.938 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.755 10.388 -5.992 1.00 0.00 H new ATOM 389 N THR A 28 -4.422 9.629 -3.949 1.00 0.00 N ATOM 390 CA THR A 28 -5.387 9.801 -2.876 1.00 0.00 C ATOM 391 C THR A 28 -5.940 8.444 -2.435 1.00 0.00 C ATOM 392 O THR A 28 -5.269 7.422 -2.570 1.00 0.00 O ATOM 393 CB THR A 28 -6.468 10.768 -3.364 1.00 0.00 C ATOM 394 OG1 THR A 28 -7.066 10.093 -4.467 1.00 0.00 O ATOM 395 CG2 THR A 28 -5.881 12.040 -3.979 1.00 0.00 C ATOM 0 H THR A 28 -4.739 9.038 -4.718 1.00 0.00 H new ATOM 0 HA THR A 28 -4.921 10.231 -1.989 1.00 0.00 H new ATOM 0 HB THR A 28 -7.119 11.034 -2.531 1.00 0.00 H new ATOM 0 HG1 THR A 28 -7.780 10.649 -4.843 1.00 0.00 H new ATOM 0 HG21 THR A 28 -6.690 12.692 -4.309 1.00 0.00 H new ATOM 0 HG22 THR A 28 -5.278 12.559 -3.234 1.00 0.00 H new ATOM 0 HG23 THR A 28 -5.256 11.777 -4.833 1.00 0.00 H new ATOM 403 N GLY A 29 -7.159 8.479 -1.916 1.00 0.00 N ATOM 404 CA GLY A 29 -7.810 7.265 -1.454 1.00 0.00 C ATOM 405 C GLY A 29 -7.566 7.047 0.041 1.00 0.00 C ATOM 406 O GLY A 29 -8.081 7.792 0.873 1.00 0.00 O ATOM 0 H GLY A 29 -7.712 9.329 -1.805 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.881 7.327 -1.646 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -7.434 6.410 -2.016 1.00 0.00 H new ATOM 410 N ASN A 30 -6.780 6.022 0.336 1.00 0.00 N ATOM 411 CA ASN A 30 -6.461 5.696 1.716 1.00 0.00 C ATOM 412 C ASN A 30 -4.943 5.581 1.870 1.00 0.00 C ATOM 413 O ASN A 30 -4.446 4.615 2.446 1.00 0.00 O ATOM 414 CB ASN A 30 -7.080 4.358 2.123 1.00 0.00 C ATOM 415 CG ASN A 30 -7.129 3.392 0.937 1.00 0.00 C ATOM 416 OD1 ASN A 30 -7.825 3.605 -0.042 1.00 0.00 O ATOM 417 ND2 ASN A 30 -6.352 2.322 1.079 1.00 0.00 N ATOM 0 H ASN A 30 -6.355 5.406 -0.357 1.00 0.00 H new ATOM 0 HA ASN A 30 -6.862 6.486 2.351 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -6.499 3.916 2.933 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -8.088 4.521 2.506 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -6.314 1.618 0.342 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -5.794 2.205 1.925 1.00 0.00 H new ATOM 424 N CYS A 31 -4.250 6.582 1.347 1.00 0.00 N ATOM 425 CA CYS A 31 -2.799 6.605 1.419 1.00 0.00 C ATOM 426 C CYS A 31 -2.395 6.825 2.878 1.00 0.00 C ATOM 427 O CYS A 31 -2.822 7.794 3.505 1.00 0.00 O ATOM 428 CB CYS A 31 -2.203 7.669 0.495 1.00 0.00 C ATOM 429 SG CYS A 31 -2.196 9.365 1.182 1.00 0.00 S ATOM 0 H CYS A 31 -4.666 7.383 0.872 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.400 5.652 1.072 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.179 7.386 0.252 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -2.763 7.673 -0.440 1.00 0.00 H new ATOM 434 N GLY A 32 -1.576 5.911 3.377 1.00 0.00 N ATOM 435 CA GLY A 32 -1.109 5.993 4.750 1.00 0.00 C ATOM 436 C GLY A 32 -0.001 4.972 5.015 1.00 0.00 C ATOM 437 O GLY A 32 0.339 4.178 4.139 1.00 0.00 O ATOM 0 H GLY A 32 -1.224 5.109 2.854 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.738 6.998 4.952 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.941 5.817 5.432 1.00 0.00 H new ATOM 441 N THR A 33 0.531 5.024 6.228 1.00 0.00 N ATOM 442 CA THR A 33 1.593 4.113 6.619 1.00 0.00 C ATOM 443 C THR A 33 1.005 2.797 7.131 1.00 0.00 C ATOM 444 O THR A 33 1.743 1.869 7.459 1.00 0.00 O ATOM 445 CB THR A 33 2.473 4.827 7.647 1.00 0.00 C ATOM 446 OG1 THR A 33 2.904 6.008 6.976 1.00 0.00 O ATOM 447 CG2 THR A 33 3.770 4.068 7.936 1.00 0.00 C ATOM 0 H THR A 33 0.246 5.683 6.953 1.00 0.00 H new ATOM 0 HA THR A 33 2.217 3.843 5.767 1.00 0.00 H new ATOM 0 HB THR A 33 1.914 4.957 8.574 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.479 6.532 7.572 1.00 0.00 H new ATOM 0 HG21 THR A 33 4.357 4.618 8.672 1.00 0.00 H new ATOM 0 HG22 THR A 33 3.533 3.078 8.327 1.00 0.00 H new ATOM 0 HG23 THR A 33 4.345 3.966 7.016 1.00 0.00 H new ATOM 455 N VAL A 34 -0.318 2.758 7.183 1.00 0.00 N ATOM 456 CA VAL A 34 -1.014 1.571 7.650 1.00 0.00 C ATOM 457 C VAL A 34 -1.099 0.554 6.510 1.00 0.00 C ATOM 458 O VAL A 34 -1.015 -0.652 6.741 1.00 0.00 O ATOM 459 CB VAL A 34 -2.384 1.954 8.213 1.00 0.00 C ATOM 460 CG1 VAL A 34 -3.146 0.716 8.691 1.00 0.00 C ATOM 461 CG2 VAL A 34 -2.246 2.982 9.338 1.00 0.00 C ATOM 0 H VAL A 34 -0.927 3.529 6.909 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.463 1.101 8.465 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.961 2.412 7.410 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.116 1.016 9.087 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.291 0.032 7.854 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.574 0.216 9.473 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.234 3.237 9.721 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.642 2.562 10.143 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.763 3.880 8.953 1.00 0.00 H new ATOM 471 N CYS A 35 -1.266 1.077 5.304 1.00 0.00 N ATOM 472 CA CYS A 35 -1.364 0.230 4.128 1.00 0.00 C ATOM 473 C CYS A 35 -0.039 -0.517 3.962 1.00 0.00 C ATOM 474 O CYS A 35 0.051 -1.462 3.180 1.00 0.00 O ATOM 475 CB CYS A 35 -1.724 1.037 2.878 1.00 0.00 C ATOM 476 SG CYS A 35 -0.425 1.079 1.590 1.00 0.00 S ATOM 0 H CYS A 35 -1.336 2.077 5.116 1.00 0.00 H new ATOM 0 HA CYS A 35 -2.172 -0.490 4.262 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -2.633 0.621 2.444 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -1.953 2.060 3.177 1.00 0.00 H new ATOM 481 N CYS A 36 0.957 -0.064 4.710 1.00 0.00 N ATOM 482 CA CYS A 36 2.273 -0.678 4.656 1.00 0.00 C ATOM 483 C CYS A 36 2.115 -2.177 4.921 1.00 0.00 C ATOM 484 O CYS A 36 2.116 -2.979 3.989 1.00 0.00 O ATOM 485 CB CYS A 36 3.243 -0.023 5.640 1.00 0.00 C ATOM 486 SG CYS A 36 3.539 1.760 5.354 1.00 0.00 S ATOM 0 H CYS A 36 0.879 0.721 5.357 1.00 0.00 H new ATOM 0 HA CYS A 36 2.707 -0.529 3.667 1.00 0.00 H new ATOM 0 HB2 CYS A 36 2.857 -0.155 6.651 1.00 0.00 H new ATOM 0 HB3 CYS A 36 4.197 -0.548 5.592 1.00 0.00 H new ATOM 0 HG CYS A 36 4.714 1.925 4.824 1.00 0.00 H new ATOM 491 N GLY A 37 1.984 -2.508 6.197 1.00 0.00 N ATOM 492 CA GLY A 37 1.826 -3.896 6.597 1.00 0.00 C ATOM 493 C GLY A 37 0.355 -4.314 6.560 1.00 0.00 C ATOM 494 O GLY A 37 -0.124 -4.996 7.464 1.00 0.00 O ATOM 0 H GLY A 37 1.984 -1.839 6.967 1.00 0.00 H new ATOM 0 HA2 GLY A 37 2.407 -4.537 5.934 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.222 -4.035 7.603 1.00 0.00 H new ATOM 498 N GLN A 38 -0.322 -3.886 5.504 1.00 0.00 N ATOM 499 CA GLN A 38 -1.729 -4.207 5.336 1.00 0.00 C ATOM 500 C GLN A 38 -1.955 -4.922 4.003 1.00 0.00 C ATOM 501 O GLN A 38 -2.654 -5.932 3.947 1.00 0.00 O ATOM 502 CB GLN A 38 -2.594 -2.949 5.437 1.00 0.00 C ATOM 503 CG GLN A 38 -4.042 -3.305 5.780 1.00 0.00 C ATOM 504 CD GLN A 38 -4.213 -3.518 7.285 1.00 0.00 C ATOM 505 OE1 GLN A 38 -3.286 -3.865 7.998 1.00 0.00 O ATOM 506 NE2 GLN A 38 -5.447 -3.291 7.727 1.00 0.00 N ATOM 0 H GLN A 38 0.078 -3.319 4.756 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.027 -4.879 6.141 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -2.188 -2.285 6.200 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.563 -2.406 4.493 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.705 -2.508 5.444 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -4.334 -4.209 5.246 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -6.177 -3.003 7.076 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.663 -3.405 8.717 1.00 0.00 H new ATOM 515 N CYS A 39 -1.350 -4.369 2.961 1.00 0.00 N ATOM 516 CA CYS A 39 -1.477 -4.942 1.632 1.00 0.00 C ATOM 517 C CYS A 39 -0.123 -5.531 1.231 1.00 0.00 C ATOM 518 O CYS A 39 -0.060 -6.467 0.436 1.00 0.00 O ATOM 519 CB CYS A 39 -1.973 -3.910 0.617 1.00 0.00 C ATOM 520 SG CYS A 39 -3.153 -4.559 -0.623 1.00 0.00 S ATOM 0 H CYS A 39 -0.771 -3.531 3.011 1.00 0.00 H new ATOM 0 HA CYS A 39 -2.227 -5.733 1.644 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -2.448 -3.090 1.156 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -1.112 -3.492 0.095 1.00 0.00 H new ATOM 525 N PHE A 40 0.927 -4.958 1.801 1.00 0.00 N ATOM 526 CA PHE A 40 2.277 -5.415 1.513 1.00 0.00 C ATOM 527 C PHE A 40 3.099 -5.539 2.797 1.00 0.00 C ATOM 528 O PHE A 40 2.588 -5.303 3.891 1.00 0.00 O ATOM 529 CB PHE A 40 2.921 -4.363 0.608 1.00 0.00 C ATOM 530 CG PHE A 40 1.938 -3.664 -0.332 1.00 0.00 C ATOM 531 CD1 PHE A 40 1.237 -2.581 0.101 1.00 0.00 C ATOM 532 CD2 PHE A 40 1.764 -4.124 -1.600 1.00 0.00 C ATOM 533 CE1 PHE A 40 0.324 -1.932 -0.771 1.00 0.00 C ATOM 534 CE2 PHE A 40 0.851 -3.474 -2.472 1.00 0.00 C ATOM 535 CZ PHE A 40 0.150 -2.392 -2.039 1.00 0.00 C ATOM 0 H PHE A 40 0.871 -4.182 2.460 1.00 0.00 H new ATOM 0 HA PHE A 40 2.245 -6.396 1.038 1.00 0.00 H new ATOM 0 HB2 PHE A 40 3.408 -3.613 1.231 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.701 -4.839 0.013 1.00 0.00 H new ATOM 0 HD1 PHE A 40 1.375 -2.215 1.108 1.00 0.00 H new ATOM 0 HD2 PHE A 40 2.320 -4.984 -1.944 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -0.233 -1.073 -0.427 1.00 0.00 H new ATOM 0 HE2 PHE A 40 0.713 -3.839 -3.479 1.00 0.00 H new ATOM 0 HZ PHE A 40 -0.545 -1.898 -2.702 1.00 0.00 H new ATOM 545 N SER A 41 4.359 -5.909 2.622 1.00 0.00 N ATOM 546 CA SER A 41 5.257 -6.067 3.753 1.00 0.00 C ATOM 547 C SER A 41 6.652 -5.553 3.389 1.00 0.00 C ATOM 548 O SER A 41 7.010 -5.497 2.214 1.00 0.00 O ATOM 549 CB SER A 41 5.329 -7.529 4.199 1.00 0.00 C ATOM 550 OG SER A 41 4.292 -7.858 5.120 1.00 0.00 O ATOM 0 H SER A 41 4.779 -6.104 1.713 1.00 0.00 H new ATOM 0 HA SER A 41 4.866 -5.481 4.585 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.258 -8.178 3.326 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.298 -7.720 4.661 1.00 0.00 H new ATOM 0 HG SER A 41 4.371 -8.800 5.379 1.00 0.00 H new ATOM 556 N PHE A 42 7.402 -5.192 4.420 1.00 0.00 N ATOM 557 CA PHE A 42 8.749 -4.685 4.224 1.00 0.00 C ATOM 558 C PHE A 42 9.591 -5.668 3.408 1.00 0.00 C ATOM 559 O PHE A 42 9.319 -6.867 3.402 1.00 0.00 O ATOM 560 CB PHE A 42 9.374 -4.526 5.612 1.00 0.00 C ATOM 561 CG PHE A 42 9.936 -3.130 5.885 1.00 0.00 C ATOM 562 CD1 PHE A 42 9.092 -2.089 6.114 1.00 0.00 C ATOM 563 CD2 PHE A 42 11.282 -2.930 5.900 1.00 0.00 C ATOM 564 CE1 PHE A 42 9.614 -0.793 6.367 1.00 0.00 C ATOM 565 CE2 PHE A 42 11.804 -1.634 6.154 1.00 0.00 C ATOM 566 CZ PHE A 42 10.959 -0.593 6.382 1.00 0.00 C ATOM 0 H PHE A 42 7.102 -5.241 5.394 1.00 0.00 H new ATOM 0 HA PHE A 42 8.716 -3.740 3.682 1.00 0.00 H new ATOM 0 HB2 PHE A 42 8.622 -4.758 6.366 1.00 0.00 H new ATOM 0 HB3 PHE A 42 10.175 -5.257 5.725 1.00 0.00 H new ATOM 0 HD1 PHE A 42 8.024 -2.248 6.103 1.00 0.00 H new ATOM 0 HD2 PHE A 42 11.953 -3.757 5.719 1.00 0.00 H new ATOM 0 HE1 PHE A 42 8.943 0.034 6.547 1.00 0.00 H new ATOM 0 HE2 PHE A 42 12.872 -1.475 6.166 1.00 0.00 H new ATOM 0 HZ PHE A 42 11.356 0.393 6.575 1.00 0.00 H new ATOM 576 N PRO A 43 10.623 -5.108 2.722 1.00 0.00 N ATOM 577 CA PRO A 43 10.876 -3.679 2.784 1.00 0.00 C ATOM 578 C PRO A 43 9.855 -2.905 1.948 1.00 0.00 C ATOM 579 O PRO A 43 9.993 -1.698 1.755 1.00 0.00 O ATOM 580 CB PRO A 43 12.302 -3.509 2.287 1.00 0.00 C ATOM 581 CG PRO A 43 12.634 -4.785 1.530 1.00 0.00 C ATOM 582 CD PRO A 43 11.574 -5.819 1.872 1.00 0.00 C ATOM 0 HA PRO A 43 10.770 -3.277 3.791 1.00 0.00 H new ATOM 0 HB2 PRO A 43 12.389 -2.637 1.639 1.00 0.00 H new ATOM 0 HB3 PRO A 43 12.990 -3.358 3.119 1.00 0.00 H new ATOM 0 HG2 PRO A 43 12.652 -4.598 0.456 1.00 0.00 H new ATOM 0 HG3 PRO A 43 13.624 -5.147 1.808 1.00 0.00 H new ATOM 0 HD2 PRO A 43 11.091 -6.203 0.973 1.00 0.00 H new ATOM 0 HD3 PRO A 43 12.007 -6.674 2.392 1.00 0.00 H new ATOM 590 N VAL A 44 8.853 -3.631 1.474 1.00 0.00 N ATOM 591 CA VAL A 44 7.810 -3.027 0.663 1.00 0.00 C ATOM 592 C VAL A 44 6.930 -2.141 1.548 1.00 0.00 C ATOM 593 O VAL A 44 6.493 -1.073 1.123 1.00 0.00 O ATOM 594 CB VAL A 44 7.019 -4.115 -0.067 1.00 0.00 C ATOM 595 CG1 VAL A 44 6.340 -3.554 -1.318 1.00 0.00 C ATOM 596 CG2 VAL A 44 7.917 -5.304 -0.416 1.00 0.00 C ATOM 0 H VAL A 44 8.742 -4.632 1.636 1.00 0.00 H new ATOM 0 HA VAL A 44 8.246 -2.389 -0.106 1.00 0.00 H new ATOM 0 HB VAL A 44 6.239 -4.471 0.606 1.00 0.00 H new ATOM 0 HG11 VAL A 44 5.785 -4.348 -1.818 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.655 -2.756 -1.033 1.00 0.00 H new ATOM 0 HG13 VAL A 44 7.096 -3.158 -1.996 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.331 -6.063 -0.934 1.00 0.00 H new ATOM 0 HG22 VAL A 44 8.729 -4.969 -1.062 1.00 0.00 H new ATOM 0 HG23 VAL A 44 8.332 -5.728 0.499 1.00 0.00 H new ATOM 606 N SER A 45 6.698 -2.618 2.762 1.00 0.00 N ATOM 607 CA SER A 45 5.878 -1.882 3.710 1.00 0.00 C ATOM 608 C SER A 45 6.401 -0.451 3.853 1.00 0.00 C ATOM 609 O SER A 45 5.685 0.430 4.327 1.00 0.00 O ATOM 610 CB SER A 45 5.855 -2.577 5.073 1.00 0.00 C ATOM 611 OG SER A 45 5.940 -1.646 6.149 1.00 0.00 O ATOM 0 H SER A 45 7.063 -3.504 3.111 1.00 0.00 H new ATOM 0 HA SER A 45 4.857 -1.853 3.329 1.00 0.00 H new ATOM 0 HB2 SER A 45 4.938 -3.158 5.168 1.00 0.00 H new ATOM 0 HB3 SER A 45 6.686 -3.280 5.135 1.00 0.00 H new ATOM 0 HG SER A 45 5.921 -2.129 7.002 1.00 0.00 H new ATOM 617 N GLN A 46 7.644 -0.264 3.435 1.00 0.00 N ATOM 618 CA GLN A 46 8.270 1.045 3.510 1.00 0.00 C ATOM 619 C GLN A 46 7.972 1.849 2.243 1.00 0.00 C ATOM 620 O GLN A 46 8.017 3.078 2.259 1.00 0.00 O ATOM 621 CB GLN A 46 9.777 0.919 3.738 1.00 0.00 C ATOM 622 CG GLN A 46 10.291 2.044 4.638 1.00 0.00 C ATOM 623 CD GLN A 46 11.781 2.301 4.399 1.00 0.00 C ATOM 624 OE1 GLN A 46 12.062 3.547 4.028 1.00 0.00 O flip ATOM 625 NE2 GLN A 46 12.619 1.426 4.543 1.00 0.00 N flip ATOM 0 H GLN A 46 8.235 -0.997 3.043 1.00 0.00 H new ATOM 0 HA GLN A 46 7.850 1.579 4.362 1.00 0.00 H new ATOM 0 HB2 GLN A 46 10.000 -0.046 4.193 1.00 0.00 H new ATOM 0 HB3 GLN A 46 10.297 0.948 2.780 1.00 0.00 H new ATOM 0 HG2 GLN A 46 9.726 2.956 4.445 1.00 0.00 H new ATOM 0 HG3 GLN A 46 10.127 1.782 5.683 1.00 0.00 H new ATOM 0 HE21 GLN A 46 12.334 0.490 4.830 1.00 0.00 H new ATOM 0 HE22 GLN A 46 13.604 1.631 4.376 1.00 0.00 H new ATOM 634 N SER A 47 7.676 1.123 1.175 1.00 0.00 N ATOM 635 CA SER A 47 7.371 1.753 -0.098 1.00 0.00 C ATOM 636 C SER A 47 5.957 2.336 -0.068 1.00 0.00 C ATOM 637 O SER A 47 5.714 3.412 -0.611 1.00 0.00 O ATOM 638 CB SER A 47 7.512 0.760 -1.253 1.00 0.00 C ATOM 639 OG SER A 47 8.517 -0.218 -0.996 1.00 0.00 O ATOM 0 H SER A 47 7.641 0.104 1.165 1.00 0.00 H new ATOM 0 HA SER A 47 8.086 2.560 -0.260 1.00 0.00 H new ATOM 0 HB2 SER A 47 6.557 0.263 -1.422 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.757 1.300 -2.168 1.00 0.00 H new ATOM 0 HG SER A 47 8.575 -0.834 -1.756 1.00 0.00 H new ATOM 645 N CYS A 48 5.061 1.598 0.571 1.00 0.00 N ATOM 646 CA CYS A 48 3.677 2.028 0.678 1.00 0.00 C ATOM 647 C CYS A 48 3.657 3.446 1.252 1.00 0.00 C ATOM 648 O CYS A 48 3.253 4.388 0.573 1.00 0.00 O ATOM 649 CB CYS A 48 2.848 1.059 1.523 1.00 0.00 C ATOM 650 SG CYS A 48 1.305 1.765 2.209 1.00 0.00 S ATOM 0 H CYS A 48 5.266 0.705 1.020 1.00 0.00 H new ATOM 0 HA CYS A 48 3.217 2.031 -0.310 1.00 0.00 H new ATOM 0 HB2 CYS A 48 2.594 0.192 0.913 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.464 0.699 2.347 1.00 0.00 H new ATOM 655 N ALA A 49 4.100 3.553 2.496 1.00 0.00 N ATOM 656 CA ALA A 49 4.138 4.840 3.169 1.00 0.00 C ATOM 657 C ALA A 49 4.975 5.818 2.341 1.00 0.00 C ATOM 658 O ALA A 49 4.876 7.031 2.520 1.00 0.00 O ATOM 659 CB ALA A 49 4.686 4.660 4.586 1.00 0.00 C ATOM 0 H ALA A 49 4.436 2.769 3.056 1.00 0.00 H new ATOM 0 HA ALA A 49 3.135 5.256 3.258 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.714 5.626 5.091 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.041 3.979 5.142 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.693 4.247 4.537 1.00 0.00 H new ATOM 665 N GLY A 50 5.780 5.254 1.452 1.00 0.00 N ATOM 666 CA GLY A 50 6.632 6.062 0.597 1.00 0.00 C ATOM 667 C GLY A 50 5.852 6.602 -0.603 1.00 0.00 C ATOM 668 O GLY A 50 5.781 7.813 -0.808 1.00 0.00 O ATOM 0 H GLY A 50 5.860 4.248 1.306 1.00 0.00 H new ATOM 0 HA2 GLY A 50 7.045 6.892 1.170 1.00 0.00 H new ATOM 0 HA3 GLY A 50 7.474 5.465 0.248 1.00 0.00 H new ATOM 672 N MET A 51 5.285 5.677 -1.365 1.00 0.00 N ATOM 673 CA MET A 51 4.512 6.046 -2.538 1.00 0.00 C ATOM 674 C MET A 51 3.058 6.344 -2.166 1.00 0.00 C ATOM 675 O MET A 51 2.176 6.315 -3.023 1.00 0.00 O ATOM 676 CB MET A 51 4.555 4.904 -3.557 1.00 0.00 C ATOM 677 CG MET A 51 3.991 5.353 -4.907 1.00 0.00 C ATOM 678 SD MET A 51 5.319 5.577 -6.078 1.00 0.00 S ATOM 679 CE MET A 51 4.853 7.151 -6.778 1.00 0.00 C ATOM 0 H MET A 51 5.346 4.674 -1.192 1.00 0.00 H new ATOM 0 HA MET A 51 4.948 6.947 -2.969 1.00 0.00 H new ATOM 0 HB2 MET A 51 5.583 4.563 -3.683 1.00 0.00 H new ATOM 0 HB3 MET A 51 3.981 4.056 -3.183 1.00 0.00 H new ATOM 0 HG2 MET A 51 3.286 4.610 -5.281 1.00 0.00 H new ATOM 0 HG3 MET A 51 3.439 6.285 -4.788 1.00 0.00 H new ATOM 0 HE1 MET A 51 5.582 7.443 -7.534 1.00 0.00 H new ATOM 0 HE2 MET A 51 3.868 7.068 -7.237 1.00 0.00 H new ATOM 0 HE3 MET A 51 4.825 7.905 -5.991 1.00 0.00 H new ATOM 689 N ALA A 52 2.854 6.623 -0.887 1.00 0.00 N ATOM 690 CA ALA A 52 1.522 6.926 -0.391 1.00 0.00 C ATOM 691 C ALA A 52 1.241 8.419 -0.576 1.00 0.00 C ATOM 692 O ALA A 52 0.311 8.958 0.021 1.00 0.00 O ATOM 693 CB ALA A 52 1.410 6.489 1.071 1.00 0.00 C ATOM 0 H ALA A 52 3.588 6.646 -0.179 1.00 0.00 H new ATOM 0 HA ALA A 52 0.768 6.376 -0.955 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.411 6.716 1.443 1.00 0.00 H new ATOM 0 HB2 ALA A 52 1.590 5.416 1.145 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.150 7.023 1.668 1.00 0.00 H new ATOM 699 N ASP A 53 2.062 9.044 -1.407 1.00 0.00 N ATOM 700 CA ASP A 53 1.914 10.464 -1.678 1.00 0.00 C ATOM 701 C ASP A 53 2.078 11.248 -0.375 1.00 0.00 C ATOM 702 O ASP A 53 1.581 10.832 0.671 1.00 0.00 O ATOM 703 CB ASP A 53 0.527 10.774 -2.244 1.00 0.00 C ATOM 704 CG ASP A 53 0.513 11.248 -3.699 1.00 0.00 C ATOM 705 OD1 ASP A 53 1.359 10.743 -4.468 1.00 0.00 O ATOM 706 OD2 ASP A 53 -0.343 12.105 -4.009 1.00 0.00 O ATOM 0 H ASP A 53 2.832 8.593 -1.902 1.00 0.00 H new ATOM 0 HA ASP A 53 2.674 10.749 -2.406 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -0.090 9.879 -2.163 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.061 11.540 -1.624 1.00 0.00 H new ATOM 711 N SER A 54 2.778 12.368 -0.479 1.00 0.00 N ATOM 712 CA SER A 54 3.015 13.214 0.678 1.00 0.00 C ATOM 713 C SER A 54 2.204 14.506 0.557 1.00 0.00 C ATOM 714 O SER A 54 1.115 14.614 1.116 1.00 0.00 O ATOM 715 CB SER A 54 4.503 13.533 0.832 1.00 0.00 C ATOM 716 OG SER A 54 5.075 12.880 1.962 1.00 0.00 O ATOM 0 H SER A 54 3.189 12.709 -1.348 1.00 0.00 H new ATOM 0 HA SER A 54 2.694 12.673 1.568 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.034 13.229 -0.070 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.634 14.611 0.931 1.00 0.00 H new ATOM 0 HG SER A 54 6.026 13.108 2.025 1.00 0.00 H new ATOM 722 N ASN A 55 2.768 15.453 -0.178 1.00 0.00 N ATOM 723 CA ASN A 55 2.111 16.733 -0.380 1.00 0.00 C ATOM 724 C ASN A 55 1.119 16.615 -1.539 1.00 0.00 C ATOM 725 O ASN A 55 0.353 17.541 -1.801 1.00 0.00 O ATOM 726 CB ASN A 55 3.126 17.822 -0.736 1.00 0.00 C ATOM 727 CG ASN A 55 2.811 19.126 0.001 1.00 0.00 C ATOM 728 OD1 ASN A 55 1.851 19.232 0.746 1.00 0.00 O ATOM 729 ND2 ASN A 55 3.671 20.109 -0.248 1.00 0.00 N ATOM 0 H ASN A 55 3.672 15.360 -0.641 1.00 0.00 H new ATOM 0 HA ASN A 55 1.603 17.001 0.546 1.00 0.00 H new ATOM 0 HB2 ASN A 55 4.130 17.487 -0.477 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.116 17.996 -1.812 1.00 0.00 H new ATOM 0 HD21 ASN A 55 3.548 21.019 0.196 1.00 0.00 H new ATOM 0 HD22 ASN A 55 4.454 19.953 -0.883 1.00 0.00 H new ATOM 736 N ASP A 56 1.165 15.469 -2.201 1.00 0.00 N ATOM 737 CA ASP A 56 0.280 15.218 -3.326 1.00 0.00 C ATOM 738 C ASP A 56 -0.976 14.499 -2.829 1.00 0.00 C ATOM 739 O ASP A 56 -1.972 14.415 -3.546 1.00 0.00 O ATOM 740 CB ASP A 56 0.954 14.326 -4.370 1.00 0.00 C ATOM 741 CG ASP A 56 2.054 15.005 -5.187 1.00 0.00 C ATOM 742 OD1 ASP A 56 1.702 15.918 -5.965 1.00 0.00 O ATOM 743 OD2 ASP A 56 3.223 14.597 -5.016 1.00 0.00 O ATOM 0 H ASP A 56 1.802 14.703 -1.980 1.00 0.00 H new ATOM 0 HA ASP A 56 0.031 16.177 -3.780 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.380 13.459 -3.865 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.192 13.953 -5.054 1.00 0.00 H new ATOM 748 N CYS A 57 -0.888 13.998 -1.606 1.00 0.00 N ATOM 749 CA CYS A 57 -2.005 13.288 -1.005 1.00 0.00 C ATOM 750 C CYS A 57 -2.955 14.319 -0.393 1.00 0.00 C ATOM 751 O CYS A 57 -2.579 15.472 -0.191 1.00 0.00 O ATOM 752 CB CYS A 57 -1.534 12.262 0.027 1.00 0.00 C ATOM 753 SG CYS A 57 -1.964 10.527 -0.365 1.00 0.00 S ATOM 0 H CYS A 57 -0.060 14.069 -1.014 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.532 12.719 -1.771 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -0.451 12.339 0.128 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -1.963 12.518 0.996 1.00 0.00 H new ATOM 758 N PRO A 58 -4.201 13.853 -0.106 1.00 0.00 N ATOM 759 CA PRO A 58 -5.208 14.722 0.479 1.00 0.00 C ATOM 760 C PRO A 58 -4.922 14.971 1.962 1.00 0.00 C ATOM 761 O PRO A 58 -5.772 14.715 2.813 1.00 0.00 O ATOM 762 CB PRO A 58 -6.529 14.009 0.241 1.00 0.00 C ATOM 763 CG PRO A 58 -6.174 12.560 -0.052 1.00 0.00 C ATOM 764 CD PRO A 58 -4.681 12.493 -0.331 1.00 0.00 C ATOM 0 HA PRO A 58 -5.220 15.715 0.029 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -7.176 14.083 1.115 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -7.069 14.455 -0.594 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -6.433 11.925 0.795 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -6.739 12.194 -0.909 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -4.186 11.783 0.332 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -4.483 12.167 -1.352 1.00 0.00 H new ATOM 772 N ASN A 59 -3.722 15.467 2.225 1.00 0.00 N ATOM 773 CA ASN A 59 -3.314 15.754 3.590 1.00 0.00 C ATOM 774 C ASN A 59 -3.433 17.257 3.848 1.00 0.00 C ATOM 775 O ASN A 59 -3.661 18.033 2.922 1.00 0.00 O ATOM 776 CB ASN A 59 -1.858 15.347 3.826 1.00 0.00 C ATOM 777 CG ASN A 59 -1.720 13.826 3.914 1.00 0.00 C ATOM 778 OD1 ASN A 59 -2.493 13.073 3.344 1.00 0.00 O ATOM 779 ND2 ASN A 59 -0.696 13.417 4.657 1.00 0.00 N ATOM 0 H ASN A 59 -3.019 15.677 1.516 1.00 0.00 H new ATOM 0 HA ASN A 59 -3.960 15.188 4.261 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.235 15.726 3.016 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -1.494 15.802 4.747 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -0.519 12.420 4.777 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -0.087 14.101 5.107 1.00 0.00 H new ATOM 786 N ALA A 60 -3.272 17.622 5.112 1.00 0.00 N ATOM 787 CA ALA A 60 -3.359 19.019 5.504 1.00 0.00 C ATOM 788 C ALA A 60 -4.506 19.687 4.743 1.00 0.00 C ATOM 789 O ALA A 60 -4.784 20.868 4.945 1.00 0.00 O ATOM 790 CB ALA A 60 -2.015 19.704 5.252 1.00 0.00 C ATOM 0 H ALA A 60 -3.082 16.975 5.877 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.575 19.107 6.569 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.080 20.752 5.546 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.240 19.210 5.838 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.766 19.639 4.193 1.00 0.00 H new TER 796 ALA A 60