USER MOD reduce.3.24.130724 H: found=0, std=0, add=423, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 426 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 18 HIS HD1 : A 18 HIS ND1 : A 60 ZNZN :(H bumps) USER MOD Single : A 3 SER OG : rot 107:sc= 0.28 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc=-0.000662 K(o=-0.00066,f=-1.2) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 154:sc= -0.064 (180deg=-1.32) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc=-0.00217 K(o=-0.0022,f=-1.6) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 1.499 -0.580 17.493 1.00 0.00 N ATOM 2 CA ALA A 2 0.213 -1.259 17.801 1.00 0.00 C ATOM 3 C ALA A 2 -0.358 -1.937 16.561 1.00 0.00 C ATOM 4 O ALA A 2 0.214 -1.850 15.475 1.00 0.00 O ATOM 5 CB ALA A 2 -0.786 -0.262 18.365 1.00 0.00 C ATOM 0 HA ALA A 2 0.405 -2.028 18.549 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -1.724 -0.772 18.586 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -0.386 0.176 19.280 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -0.966 0.526 17.634 1.00 0.00 H new ATOM 13 N SER A 3 -1.490 -2.613 16.732 1.00 0.00 N ATOM 14 CA SER A 3 -2.141 -3.306 15.625 1.00 0.00 C ATOM 15 C SER A 3 -3.544 -2.758 15.389 1.00 0.00 C ATOM 16 O SER A 3 -4.164 -2.202 16.296 1.00 0.00 O ATOM 17 CB SER A 3 -2.208 -4.809 15.908 1.00 0.00 C ATOM 18 OG SER A 3 -2.017 -5.560 14.721 1.00 0.00 O ATOM 0 H SER A 3 -1.975 -2.696 17.625 1.00 0.00 H new ATOM 0 HA SER A 3 -1.550 -3.138 14.725 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.446 -5.079 16.639 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.174 -5.057 16.348 1.00 0.00 H new ATOM 0 HG SER A 3 -1.131 -5.978 14.738 1.00 0.00 H new ATOM 24 N THR A 4 -4.040 -2.919 14.167 1.00 0.00 N ATOM 25 CA THR A 4 -5.371 -2.440 13.811 1.00 0.00 C ATOM 26 C THR A 4 -5.474 -0.931 14.001 1.00 0.00 C ATOM 27 O THR A 4 -5.728 -0.449 15.105 1.00 0.00 O ATOM 28 CB THR A 4 -6.431 -3.145 14.659 1.00 0.00 C ATOM 29 OG1 THR A 4 -6.319 -4.551 14.535 1.00 0.00 O ATOM 30 CG2 THR A 4 -7.847 -2.763 14.285 1.00 0.00 C ATOM 0 H THR A 4 -3.540 -3.378 13.406 1.00 0.00 H new ATOM 0 HA THR A 4 -5.544 -2.669 12.759 1.00 0.00 H new ATOM 0 HB THR A 4 -6.243 -2.823 15.683 1.00 0.00 H new ATOM 0 HG1 THR A 4 -7.004 -4.984 15.086 1.00 0.00 H new ATOM 0 HG21 THR A 4 -8.549 -3.298 14.924 1.00 0.00 H new ATOM 0 HG22 THR A 4 -7.981 -1.689 14.418 1.00 0.00 H new ATOM 0 HG23 THR A 4 -8.032 -3.026 13.243 1.00 0.00 H new ATOM 38 N SER A 5 -5.272 -0.187 12.918 1.00 0.00 N ATOM 39 CA SER A 5 -5.343 1.269 12.966 1.00 0.00 C ATOM 40 C SER A 5 -5.363 1.861 11.561 1.00 0.00 C ATOM 41 O SER A 5 -6.257 2.633 11.215 1.00 0.00 O ATOM 42 CB SER A 5 -4.157 1.830 13.752 1.00 0.00 C ATOM 43 OG SER A 5 -4.486 3.070 14.357 1.00 0.00 O ATOM 0 H SER A 5 -5.058 -0.569 11.997 1.00 0.00 H new ATOM 0 HA SER A 5 -6.269 1.547 13.469 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.855 1.117 14.519 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.305 1.962 13.085 1.00 0.00 H new ATOM 0 HG SER A 5 -3.712 3.407 14.855 1.00 0.00 H new ATOM 49 N ARG A 6 -4.373 1.492 10.755 1.00 0.00 N ATOM 50 CA ARG A 6 -4.277 1.985 9.386 1.00 0.00 C ATOM 51 C ARG A 6 -4.747 0.926 8.395 1.00 0.00 C ATOM 52 O ARG A 6 -5.002 -0.219 8.768 1.00 0.00 O ATOM 53 CB ARG A 6 -2.838 2.396 9.068 1.00 0.00 C ATOM 54 CG ARG A 6 -2.495 3.808 9.515 1.00 0.00 C ATOM 55 CD ARG A 6 -1.436 4.432 8.621 1.00 0.00 C ATOM 56 NE ARG A 6 -2.024 5.129 7.480 1.00 0.00 N ATOM 57 CZ ARG A 6 -1.375 6.031 6.747 1.00 0.00 C ATOM 58 NH1 ARG A 6 -0.118 6.351 7.033 1.00 0.00 N ATOM 59 NH2 ARG A 6 -1.985 6.617 5.725 1.00 0.00 N ATOM 0 H ARG A 6 -3.626 0.853 11.026 1.00 0.00 H new ATOM 0 HA ARG A 6 -4.924 2.857 9.294 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -2.155 1.696 9.548 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -2.675 2.314 7.993 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -3.394 4.424 9.501 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -2.138 3.788 10.545 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -0.836 5.132 9.203 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -0.761 3.655 8.262 1.00 0.00 H new ATOM 0 HE ARG A 6 -2.989 4.912 7.230 1.00 0.00 H new ATOM 0 HH11 ARG A 6 0.356 5.905 7.818 1.00 0.00 H new ATOM 0 HH12 ARG A 6 0.373 7.043 6.467 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -2.951 6.376 5.501 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -1.488 7.308 5.163 1.00 0.00 H new ATOM 73 N LEU A 7 -4.859 1.316 7.129 1.00 0.00 N ATOM 74 CA LEU A 7 -5.298 0.399 6.083 1.00 0.00 C ATOM 75 C LEU A 7 -6.697 -0.133 6.379 1.00 0.00 C ATOM 76 O LEU A 7 -6.855 -1.210 6.954 1.00 0.00 O ATOM 77 CB LEU A 7 -4.308 -0.762 5.946 1.00 0.00 C ATOM 78 CG LEU A 7 -3.797 -1.013 4.526 1.00 0.00 C ATOM 79 CD1 LEU A 7 -2.319 -1.374 4.545 1.00 0.00 C ATOM 80 CD2 LEU A 7 -4.607 -2.113 3.856 1.00 0.00 C ATOM 0 H LEU A 7 -4.652 2.260 6.803 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.333 0.947 5.141 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.453 -0.569 6.595 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.786 -1.672 6.310 1.00 0.00 H new ATOM 0 HG LEU A 7 -3.918 -0.096 3.950 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.974 -1.549 3.526 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.750 -0.555 4.985 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -2.173 -2.277 5.138 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -4.230 -2.279 2.847 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -4.517 -3.034 4.433 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.655 -1.816 3.808 1.00 0.00 H new ATOM 92 N ASP A 8 -7.711 0.629 5.981 1.00 0.00 N ATOM 93 CA ASP A 8 -9.097 0.235 6.204 1.00 0.00 C ATOM 94 C ASP A 8 -9.638 -0.551 5.014 1.00 0.00 C ATOM 95 O ASP A 8 -8.923 -0.795 4.041 1.00 0.00 O ATOM 96 CB ASP A 8 -9.966 1.470 6.452 1.00 0.00 C ATOM 97 CG ASP A 8 -9.874 1.962 7.883 1.00 0.00 C ATOM 98 OD1 ASP A 8 -9.655 1.126 8.786 1.00 0.00 O ATOM 99 OD2 ASP A 8 -10.023 3.183 8.102 1.00 0.00 O ATOM 0 H ASP A 8 -7.598 1.523 5.502 1.00 0.00 H new ATOM 0 HA ASP A 8 -9.129 -0.407 7.085 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -9.660 2.268 5.776 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -11.004 1.234 6.218 1.00 0.00 H new ATOM 104 N ALA A 9 -10.905 -0.944 5.098 1.00 0.00 N ATOM 105 CA ALA A 9 -11.544 -1.703 4.028 1.00 0.00 C ATOM 106 C ALA A 9 -10.861 -3.051 3.829 1.00 0.00 C ATOM 107 O ALA A 9 -9.971 -3.426 4.592 1.00 0.00 O ATOM 108 CB ALA A 9 -11.530 -0.905 2.732 1.00 0.00 C ATOM 0 H ALA A 9 -11.510 -0.750 5.896 1.00 0.00 H new ATOM 0 HA ALA A 9 -12.579 -1.888 4.316 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -12.010 -1.484 1.943 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -12.070 0.031 2.875 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -10.500 -0.690 2.448 1.00 0.00 H new ATOM 114 N LEU A 10 -11.284 -3.777 2.799 1.00 0.00 N ATOM 115 CA LEU A 10 -10.713 -5.085 2.500 1.00 0.00 C ATOM 116 C LEU A 10 -9.348 -4.941 1.828 1.00 0.00 C ATOM 117 O LEU A 10 -9.178 -4.124 0.922 1.00 0.00 O ATOM 118 CB LEU A 10 -11.661 -5.882 1.599 1.00 0.00 C ATOM 119 CG LEU A 10 -11.953 -7.308 2.069 1.00 0.00 C ATOM 120 CD1 LEU A 10 -12.743 -7.289 3.368 1.00 0.00 C ATOM 121 CD2 LEU A 10 -12.708 -8.078 0.995 1.00 0.00 C ATOM 0 H LEU A 10 -12.020 -3.482 2.158 1.00 0.00 H new ATOM 0 HA LEU A 10 -10.579 -5.622 3.439 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -12.604 -5.341 1.521 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -11.234 -5.926 0.597 1.00 0.00 H new ATOM 0 HG LEU A 10 -11.004 -7.813 2.251 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -12.942 -8.312 3.688 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -12.167 -6.774 4.137 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -13.687 -6.767 3.212 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -12.908 -9.091 1.346 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -13.651 -7.575 0.782 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -12.106 -8.121 0.087 1.00 0.00 H new ATOM 133 N PRO A 11 -8.351 -5.735 2.261 1.00 0.00 N ATOM 134 CA PRO A 11 -7.001 -5.686 1.692 1.00 0.00 C ATOM 135 C PRO A 11 -6.950 -6.238 0.271 1.00 0.00 C ATOM 136 O PRO A 11 -7.035 -7.449 0.062 1.00 0.00 O ATOM 137 CB PRO A 11 -6.182 -6.567 2.638 1.00 0.00 C ATOM 138 CG PRO A 11 -7.172 -7.508 3.230 1.00 0.00 C ATOM 139 CD PRO A 11 -8.461 -6.740 3.336 1.00 0.00 C ATOM 0 HA PRO A 11 -6.630 -4.664 1.613 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -5.398 -7.102 2.102 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -5.692 -5.972 3.408 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -7.294 -8.391 2.603 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -6.843 -7.855 4.209 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -9.327 -7.387 3.194 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -8.570 -6.272 4.314 1.00 0.00 H new ATOM 147 N ARG A 12 -6.812 -5.343 -0.702 1.00 0.00 N ATOM 148 CA ARG A 12 -6.750 -5.740 -2.103 1.00 0.00 C ATOM 149 C ARG A 12 -5.340 -6.191 -2.479 1.00 0.00 C ATOM 150 O ARG A 12 -4.510 -6.454 -1.609 1.00 0.00 O ATOM 151 CB ARG A 12 -7.189 -4.580 -3.000 1.00 0.00 C ATOM 152 CG ARG A 12 -8.463 -3.899 -2.530 1.00 0.00 C ATOM 153 CD ARG A 12 -8.247 -2.414 -2.281 1.00 0.00 C ATOM 154 NE ARG A 12 -8.690 -1.599 -3.409 1.00 0.00 N ATOM 155 CZ ARG A 12 -8.578 -0.273 -3.455 1.00 0.00 C ATOM 156 NH1 ARG A 12 -8.040 0.390 -2.439 1.00 0.00 N ATOM 157 NH2 ARG A 12 -9.006 0.392 -4.520 1.00 0.00 N ATOM 0 H ARG A 12 -6.741 -4.338 -0.545 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.429 -6.580 -2.251 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -6.388 -3.843 -3.045 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.338 -4.951 -4.014 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -9.245 -4.033 -3.278 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -8.813 -4.375 -1.614 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -8.788 -2.115 -1.383 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -7.190 -2.228 -2.093 1.00 0.00 H new ATOM 0 HE ARG A 12 -9.110 -2.073 -4.208 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -7.710 -0.116 -1.617 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -7.957 1.406 -2.480 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -9.421 -0.112 -5.303 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -8.920 1.408 -4.555 1.00 0.00 H new ATOM 171 N VAL A 13 -5.074 -6.277 -3.780 1.00 0.00 N ATOM 172 CA VAL A 13 -3.766 -6.695 -4.266 1.00 0.00 C ATOM 173 C VAL A 13 -3.424 -8.098 -3.774 1.00 0.00 C ATOM 174 O VAL A 13 -3.182 -8.309 -2.586 1.00 0.00 O ATOM 175 CB VAL A 13 -2.670 -5.711 -3.816 1.00 0.00 C ATOM 176 CG1 VAL A 13 -1.295 -6.182 -4.269 1.00 0.00 C ATOM 177 CG2 VAL A 13 -2.963 -4.313 -4.341 1.00 0.00 C ATOM 0 H VAL A 13 -5.748 -6.062 -4.515 1.00 0.00 H new ATOM 0 HA VAL A 13 -3.809 -6.702 -5.355 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.669 -5.676 -2.727 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.539 -5.470 -3.938 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.085 -7.160 -3.837 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.275 -6.254 -5.356 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.179 -3.630 -4.014 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.996 -4.333 -5.430 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.924 -3.973 -3.955 1.00 0.00 H new ATOM 187 N THR A 14 -3.407 -9.056 -4.696 1.00 0.00 N ATOM 188 CA THR A 14 -3.098 -10.441 -4.356 1.00 0.00 C ATOM 189 C THR A 14 -1.823 -10.904 -5.052 1.00 0.00 C ATOM 190 O THR A 14 -1.144 -10.120 -5.716 1.00 0.00 O ATOM 191 CB THR A 14 -4.265 -11.353 -4.739 1.00 0.00 C ATOM 192 OG1 THR A 14 -5.042 -10.768 -5.768 1.00 0.00 O ATOM 193 CG2 THR A 14 -5.191 -11.656 -3.581 1.00 0.00 C ATOM 0 H THR A 14 -3.604 -8.899 -5.684 1.00 0.00 H new ATOM 0 HA THR A 14 -2.940 -10.497 -3.279 1.00 0.00 H new ATOM 0 HB THR A 14 -3.807 -12.285 -5.072 1.00 0.00 H new ATOM 0 HG1 THR A 14 -5.782 -11.367 -6.000 1.00 0.00 H new ATOM 0 HG21 THR A 14 -5.997 -12.307 -3.920 1.00 0.00 H new ATOM 0 HG22 THR A 14 -4.632 -12.153 -2.788 1.00 0.00 H new ATOM 0 HG23 THR A 14 -5.612 -10.726 -3.199 1.00 0.00 H new ATOM 201 N CYS A 15 -1.504 -12.185 -4.895 1.00 0.00 N ATOM 202 CA CYS A 15 -0.311 -12.761 -5.506 1.00 0.00 C ATOM 203 C CYS A 15 -0.606 -13.230 -6.930 1.00 0.00 C ATOM 204 O CYS A 15 -1.637 -13.853 -7.183 1.00 0.00 O ATOM 205 CB CYS A 15 0.193 -13.932 -4.660 1.00 0.00 C ATOM 206 SG CYS A 15 1.671 -14.743 -5.315 1.00 0.00 S ATOM 0 H CYS A 15 -2.057 -12.845 -4.348 1.00 0.00 H new ATOM 0 HA CYS A 15 0.461 -11.993 -5.551 1.00 0.00 H new ATOM 0 HB2 CYS A 15 0.406 -13.572 -3.653 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -0.604 -14.671 -4.572 1.00 0.00 H new ATOM 211 N PRO A 16 0.297 -12.936 -7.885 1.00 0.00 N ATOM 212 CA PRO A 16 0.117 -13.334 -9.286 1.00 0.00 C ATOM 213 C PRO A 16 0.200 -14.844 -9.478 1.00 0.00 C ATOM 214 O PRO A 16 -0.441 -15.404 -10.367 1.00 0.00 O ATOM 215 CB PRO A 16 1.274 -12.639 -10.009 1.00 0.00 C ATOM 216 CG PRO A 16 2.310 -12.433 -8.957 1.00 0.00 C ATOM 217 CD PRO A 16 1.556 -12.196 -7.679 1.00 0.00 C ATOM 0 HA PRO A 16 -0.867 -13.054 -9.662 1.00 0.00 H new ATOM 0 HB2 PRO A 16 1.656 -13.252 -10.826 1.00 0.00 H new ATOM 0 HB3 PRO A 16 0.957 -11.691 -10.443 1.00 0.00 H new ATOM 0 HG2 PRO A 16 2.959 -13.304 -8.872 1.00 0.00 H new ATOM 0 HG3 PRO A 16 2.948 -11.583 -9.198 1.00 0.00 H new ATOM 0 HD2 PRO A 16 2.104 -12.568 -6.814 1.00 0.00 H new ATOM 0 HD3 PRO A 16 1.375 -11.135 -7.509 1.00 0.00 H new ATOM 225 N ASN A 17 0.995 -15.498 -8.638 1.00 0.00 N ATOM 226 CA ASN A 17 1.164 -16.946 -8.716 1.00 0.00 C ATOM 227 C ASN A 17 0.348 -17.664 -7.641 1.00 0.00 C ATOM 228 O ASN A 17 0.275 -18.892 -7.627 1.00 0.00 O ATOM 229 CB ASN A 17 2.644 -17.312 -8.578 1.00 0.00 C ATOM 230 CG ASN A 17 3.449 -16.927 -9.803 1.00 0.00 C ATOM 231 OD1 ASN A 17 2.894 -16.499 -10.816 1.00 0.00 O ATOM 232 ND2 ASN A 17 4.765 -17.078 -9.718 1.00 0.00 N ATOM 0 H ASN A 17 1.532 -15.050 -7.896 1.00 0.00 H new ATOM 0 HA ASN A 17 0.799 -17.272 -9.690 1.00 0.00 H new ATOM 0 HB2 ASN A 17 3.059 -16.813 -7.702 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.736 -18.385 -8.408 1.00 0.00 H new ATOM 0 HD21 ASN A 17 5.358 -16.836 -10.512 1.00 0.00 H new ATOM 0 HD22 ASN A 17 5.183 -17.436 -8.859 1.00 0.00 H new ATOM 239 N HIS A 18 -0.269 -16.896 -6.745 1.00 0.00 N ATOM 240 CA HIS A 18 -1.078 -17.472 -5.676 1.00 0.00 C ATOM 241 C HIS A 18 -2.404 -16.726 -5.537 1.00 0.00 C ATOM 242 O HIS A 18 -2.586 -15.933 -4.614 1.00 0.00 O ATOM 243 CB HIS A 18 -0.320 -17.435 -4.348 1.00 0.00 C ATOM 244 CG HIS A 18 0.856 -18.360 -4.299 1.00 0.00 C ATOM 245 ND1 HIS A 18 2.118 -17.903 -3.995 1.00 0.00 N ATOM 246 CD2 HIS A 18 0.902 -19.698 -4.503 1.00 0.00 C ATOM 247 CE1 HIS A 18 2.896 -18.973 -4.017 1.00 0.00 C ATOM 248 NE2 HIS A 18 2.204 -20.081 -4.322 1.00 0.00 N ATOM 0 H HIS A 18 -0.224 -15.877 -6.739 1.00 0.00 H new ATOM 0 HA HIS A 18 -1.286 -18.510 -5.935 1.00 0.00 H new ATOM 0 HB2 HIS A 18 0.022 -16.417 -4.164 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -1.006 -17.691 -3.541 1.00 0.00 H new ATOM 0 HD2 HIS A 18 0.072 -20.339 -4.759 1.00 0.00 H new ATOM 0 HE1 HIS A 18 3.957 -18.956 -3.815 1.00 0.00 H new ATOM 0 HE2 HIS A 18 2.576 -21.027 -4.403 1.00 0.00 H new ATOM 256 N PRO A 19 -3.352 -16.973 -6.458 1.00 0.00 N ATOM 257 CA PRO A 19 -4.664 -16.321 -6.432 1.00 0.00 C ATOM 258 C PRO A 19 -5.527 -16.797 -5.268 1.00 0.00 C ATOM 259 O PRO A 19 -6.427 -16.087 -4.820 1.00 0.00 O ATOM 260 CB PRO A 19 -5.292 -16.731 -7.767 1.00 0.00 C ATOM 261 CG PRO A 19 -4.621 -18.011 -8.123 1.00 0.00 C ATOM 262 CD PRO A 19 -3.218 -17.905 -7.592 1.00 0.00 C ATOM 0 HA PRO A 19 -4.579 -15.242 -6.299 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.370 -16.862 -7.674 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -5.128 -15.972 -8.532 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -5.142 -18.861 -7.682 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.619 -18.164 -9.202 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.835 -18.874 -7.273 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.530 -17.523 -8.347 1.00 0.00 H new ATOM 270 N ASP A 20 -5.248 -18.002 -4.782 1.00 0.00 N ATOM 271 CA ASP A 20 -6.001 -18.572 -3.670 1.00 0.00 C ATOM 272 C ASP A 20 -5.640 -17.882 -2.358 1.00 0.00 C ATOM 273 O ASP A 20 -6.481 -17.734 -1.471 1.00 0.00 O ATOM 274 CB ASP A 20 -5.732 -20.074 -3.561 1.00 0.00 C ATOM 275 CG ASP A 20 -5.915 -20.791 -4.884 1.00 0.00 C ATOM 276 OD1 ASP A 20 -6.857 -20.439 -5.625 1.00 0.00 O ATOM 277 OD2 ASP A 20 -5.119 -21.707 -5.177 1.00 0.00 O ATOM 0 H ASP A 20 -4.506 -18.603 -5.141 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.062 -18.413 -3.863 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -4.715 -20.233 -3.202 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.403 -20.508 -2.820 1.00 0.00 H new ATOM 282 N ALA A 21 -4.384 -17.463 -2.239 1.00 0.00 N ATOM 283 CA ALA A 21 -3.913 -16.791 -1.034 1.00 0.00 C ATOM 284 C ALA A 21 -3.686 -15.304 -1.285 1.00 0.00 C ATOM 285 O ALA A 21 -3.613 -14.863 -2.432 1.00 0.00 O ATOM 286 CB ALA A 21 -2.635 -17.446 -0.531 1.00 0.00 C ATOM 0 H ALA A 21 -3.674 -17.577 -2.963 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.684 -16.888 -0.269 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.294 -16.935 0.369 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.829 -18.494 -0.302 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.865 -17.379 -1.300 1.00 0.00 H new ATOM 292 N ILE A 22 -3.576 -14.537 -0.205 1.00 0.00 N ATOM 293 CA ILE A 22 -3.358 -13.099 -0.306 1.00 0.00 C ATOM 294 C ILE A 22 -2.166 -12.663 0.540 1.00 0.00 C ATOM 295 O ILE A 22 -1.958 -13.169 1.644 1.00 0.00 O ATOM 296 CB ILE A 22 -4.605 -12.308 0.140 1.00 0.00 C ATOM 297 CG1 ILE A 22 -5.857 -12.838 -0.563 1.00 0.00 C ATOM 298 CG2 ILE A 22 -4.420 -10.825 -0.143 1.00 0.00 C ATOM 299 CD1 ILE A 22 -7.035 -13.030 0.367 1.00 0.00 C ATOM 0 H ILE A 22 -3.634 -14.888 0.751 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.155 -12.883 -1.355 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.734 -12.441 1.214 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -6.139 -12.146 -1.356 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.621 -13.790 -1.039 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.308 -10.280 0.177 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -3.551 -10.456 0.403 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.268 -10.675 -1.212 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.887 -13.407 -0.198 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.771 -13.745 1.146 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.297 -12.076 0.824 1.00 0.00 H new ATOM 311 N LEU A 23 -1.387 -11.721 0.017 1.00 0.00 N ATOM 312 CA LEU A 23 -0.216 -11.216 0.726 1.00 0.00 C ATOM 313 C LEU A 23 -0.621 -10.530 2.028 1.00 0.00 C ATOM 314 O LEU A 23 -1.172 -9.429 2.017 1.00 0.00 O ATOM 315 CB LEU A 23 0.559 -10.237 -0.161 1.00 0.00 C ATOM 316 CG LEU A 23 1.787 -10.832 -0.852 1.00 0.00 C ATOM 317 CD1 LEU A 23 1.472 -11.180 -2.298 1.00 0.00 C ATOM 318 CD2 LEU A 23 2.969 -9.875 -0.777 1.00 0.00 C ATOM 0 H LEU A 23 -1.545 -11.292 -0.895 1.00 0.00 H new ATOM 0 HA LEU A 23 0.425 -12.063 0.968 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.116 -9.847 -0.923 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.877 -9.390 0.448 1.00 0.00 H new ATOM 0 HG LEU A 23 2.059 -11.749 -0.329 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.358 -11.602 -2.772 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.662 -11.909 -2.329 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.169 -10.279 -2.831 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.830 -10.321 -1.275 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.710 -8.938 -1.269 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.214 -9.681 0.267 1.00 0.00 H new ATOM 330 N VAL A 24 -0.345 -11.189 3.150 1.00 0.00 N ATOM 331 CA VAL A 24 -0.680 -10.641 4.460 1.00 0.00 C ATOM 332 C VAL A 24 0.069 -9.336 4.717 1.00 0.00 C ATOM 333 O VAL A 24 1.083 -9.055 4.077 1.00 0.00 O ATOM 334 CB VAL A 24 -0.353 -11.638 5.588 1.00 0.00 C ATOM 335 CG1 VAL A 24 -0.946 -11.167 6.907 1.00 0.00 C ATOM 336 CG2 VAL A 24 -0.859 -13.030 5.237 1.00 0.00 C ATOM 0 H VAL A 24 0.109 -12.102 3.178 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.753 -10.448 4.457 1.00 0.00 H new ATOM 0 HB VAL A 24 0.730 -11.687 5.699 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.704 -11.884 7.691 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.531 -10.193 7.165 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -2.029 -11.086 6.811 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.618 -13.719 6.046 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -1.939 -12.999 5.096 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -0.382 -13.369 4.317 1.00 0.00 H new ATOM 346 N GLU A 25 -0.438 -8.543 5.653 1.00 0.00 N ATOM 347 CA GLU A 25 0.182 -7.267 5.994 1.00 0.00 C ATOM 348 C GLU A 25 0.973 -7.374 7.293 1.00 0.00 C ATOM 349 O GLU A 25 0.530 -8.005 8.251 1.00 0.00 O ATOM 350 CB GLU A 25 -0.885 -6.176 6.120 1.00 0.00 C ATOM 351 CG GLU A 25 -1.357 -5.629 4.783 1.00 0.00 C ATOM 352 CD GLU A 25 -2.790 -5.137 4.828 1.00 0.00 C ATOM 353 OE1 GLU A 25 -3.138 -4.408 5.781 1.00 0.00 O ATOM 354 OE2 GLU A 25 -3.565 -5.480 3.911 1.00 0.00 O ATOM 0 H GLU A 25 -1.277 -8.761 6.190 1.00 0.00 H new ATOM 0 HA GLU A 25 0.872 -7.001 5.193 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -1.741 -6.578 6.661 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.486 -5.357 6.718 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.705 -4.810 4.479 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.267 -6.406 4.024 1.00 0.00 H new ATOM 361 N ASP A 26 2.147 -6.751 7.319 1.00 0.00 N ATOM 362 CA ASP A 26 3.001 -6.776 8.500 1.00 0.00 C ATOM 363 C ASP A 26 2.374 -5.982 9.642 1.00 0.00 C ATOM 364 O ASP A 26 1.255 -5.483 9.523 1.00 0.00 O ATOM 365 CB ASP A 26 4.384 -6.212 8.170 1.00 0.00 C ATOM 366 CG ASP A 26 5.496 -6.951 8.887 1.00 0.00 C ATOM 367 OD1 ASP A 26 5.237 -7.502 9.978 1.00 0.00 O ATOM 368 OD2 ASP A 26 6.627 -6.981 8.356 1.00 0.00 O ATOM 0 H ASP A 26 2.528 -6.222 6.535 1.00 0.00 H new ATOM 0 HA ASP A 26 3.107 -7.813 8.818 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.549 -6.268 7.094 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.418 -5.157 8.443 1.00 0.00 H new ATOM 373 N TYR A 27 3.102 -5.870 10.748 1.00 0.00 N ATOM 374 CA TYR A 27 2.619 -5.136 11.913 1.00 0.00 C ATOM 375 C TYR A 27 2.839 -3.637 11.740 1.00 0.00 C ATOM 376 O TYR A 27 2.017 -2.824 12.166 1.00 0.00 O ATOM 377 CB TYR A 27 3.326 -5.627 13.179 1.00 0.00 C ATOM 378 CG TYR A 27 2.406 -6.322 14.158 1.00 0.00 C ATOM 379 CD1 TYR A 27 2.169 -7.688 14.068 1.00 0.00 C ATOM 380 CD2 TYR A 27 1.776 -5.612 15.172 1.00 0.00 C ATOM 381 CE1 TYR A 27 1.329 -8.327 14.962 1.00 0.00 C ATOM 382 CE2 TYR A 27 0.936 -6.243 16.070 1.00 0.00 C ATOM 383 CZ TYR A 27 0.716 -7.600 15.961 1.00 0.00 C ATOM 384 OH TYR A 27 -0.119 -8.232 16.853 1.00 0.00 O ATOM 0 H TYR A 27 4.030 -6.278 10.863 1.00 0.00 H new ATOM 0 HA TYR A 27 1.549 -5.318 12.010 1.00 0.00 H new ATOM 0 HB2 TYR A 27 4.125 -6.312 12.896 1.00 0.00 H new ATOM 0 HB3 TYR A 27 3.795 -4.777 13.675 1.00 0.00 H new ATOM 0 HD1 TYR A 27 2.648 -8.260 13.287 1.00 0.00 H new ATOM 0 HD2 TYR A 27 1.945 -4.549 15.260 1.00 0.00 H new ATOM 0 HE1 TYR A 27 1.154 -9.389 14.878 1.00 0.00 H new ATOM 0 HE2 TYR A 27 0.454 -5.676 16.853 1.00 0.00 H new ATOM 0 HH TYR A 27 -0.468 -7.578 17.494 1.00 0.00 H new ATOM 394 N ARG A 28 3.953 -3.277 11.112 1.00 0.00 N ATOM 395 CA ARG A 28 4.291 -1.890 10.878 1.00 0.00 C ATOM 396 C ARG A 28 4.407 -1.627 9.379 1.00 0.00 C ATOM 397 O ARG A 28 3.561 -2.059 8.595 1.00 0.00 O ATOM 398 CB ARG A 28 5.592 -1.551 11.618 1.00 0.00 C ATOM 399 CG ARG A 28 5.718 -0.081 11.991 1.00 0.00 C ATOM 400 CD ARG A 28 5.686 0.121 13.497 1.00 0.00 C ATOM 401 NE ARG A 28 5.710 1.536 13.860 1.00 0.00 N ATOM 402 CZ ARG A 28 6.784 2.313 13.739 1.00 0.00 C ATOM 403 NH1 ARG A 28 7.920 1.816 13.263 1.00 0.00 N ATOM 404 NH2 ARG A 28 6.722 3.589 14.091 1.00 0.00 N ATOM 0 H ARG A 28 4.640 -3.940 10.755 1.00 0.00 H new ATOM 0 HA ARG A 28 3.503 -1.244 11.264 1.00 0.00 H new ATOM 0 HB2 ARG A 28 5.651 -2.153 12.525 1.00 0.00 H new ATOM 0 HB3 ARG A 28 6.439 -1.832 10.992 1.00 0.00 H new ATOM 0 HG2 ARG A 28 6.650 0.318 11.590 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.906 0.482 11.531 1.00 0.00 H new ATOM 0 HD2 ARG A 28 4.789 -0.343 13.906 1.00 0.00 H new ATOM 0 HD3 ARG A 28 6.540 -0.384 13.949 1.00 0.00 H new ATOM 0 HE ARG A 28 4.854 1.952 14.227 1.00 0.00 H new ATOM 0 HH11 ARG A 28 7.972 0.835 12.988 1.00 0.00 H new ATOM 0 HH12 ARG A 28 8.740 2.415 13.172 1.00 0.00 H new ATOM 0 HH21 ARG A 28 5.851 3.976 14.455 1.00 0.00 H new ATOM 0 HH22 ARG A 28 7.545 4.184 13.998 1.00 0.00 H new ATOM 418 N ALA A 29 5.450 -0.925 8.995 1.00 0.00 N ATOM 419 CA ALA A 29 5.690 -0.598 7.596 1.00 0.00 C ATOM 420 C ALA A 29 6.591 -1.637 6.936 1.00 0.00 C ATOM 421 O ALA A 29 7.466 -1.298 6.139 1.00 0.00 O ATOM 422 CB ALA A 29 6.306 0.787 7.476 1.00 0.00 C ATOM 0 H ALA A 29 6.156 -0.563 9.636 1.00 0.00 H new ATOM 0 HA ALA A 29 4.731 -0.604 7.078 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.480 1.018 6.425 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.627 1.525 7.902 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.253 0.812 8.014 1.00 0.00 H new ATOM 428 N GLY A 30 6.367 -2.905 7.267 1.00 0.00 N ATOM 429 CA GLY A 30 7.163 -3.972 6.692 1.00 0.00 C ATOM 430 C GLY A 30 6.566 -4.510 5.406 1.00 0.00 C ATOM 431 O GLY A 30 6.946 -5.586 4.942 1.00 0.00 O ATOM 0 H GLY A 30 5.649 -3.212 7.923 1.00 0.00 H new ATOM 0 HA2 GLY A 30 8.170 -3.605 6.496 1.00 0.00 H new ATOM 0 HA3 GLY A 30 7.254 -4.783 7.414 1.00 0.00 H new ATOM 435 N ASP A 31 5.629 -3.763 4.828 1.00 0.00 N ATOM 436 CA ASP A 31 4.979 -4.174 3.588 1.00 0.00 C ATOM 437 C ASP A 31 4.232 -5.490 3.778 1.00 0.00 C ATOM 438 O ASP A 31 4.187 -6.034 4.882 1.00 0.00 O ATOM 439 CB ASP A 31 6.011 -4.315 2.468 1.00 0.00 C ATOM 440 CG ASP A 31 6.486 -2.972 1.948 1.00 0.00 C ATOM 441 OD1 ASP A 31 5.651 -2.049 1.842 1.00 0.00 O ATOM 442 OD2 ASP A 31 7.690 -2.845 1.644 1.00 0.00 O ATOM 0 H ASP A 31 5.303 -2.870 5.199 1.00 0.00 H new ATOM 0 HA ASP A 31 4.258 -3.404 3.311 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.866 -4.883 2.835 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.577 -4.887 1.648 1.00 0.00 H new ATOM 447 N MET A 32 3.649 -5.999 2.698 1.00 0.00 N ATOM 448 CA MET A 32 2.905 -7.253 2.754 1.00 0.00 C ATOM 449 C MET A 32 3.765 -8.414 2.262 1.00 0.00 C ATOM 450 O MET A 32 4.736 -8.214 1.535 1.00 0.00 O ATOM 451 CB MET A 32 1.629 -7.155 1.917 1.00 0.00 C ATOM 452 CG MET A 32 0.662 -6.089 2.405 1.00 0.00 C ATOM 453 SD MET A 32 0.816 -4.541 1.492 1.00 0.00 S ATOM 454 CE MET A 32 1.256 -3.412 2.811 1.00 0.00 C ATOM 0 H MET A 32 3.677 -5.564 1.776 1.00 0.00 H new ATOM 0 HA MET A 32 2.632 -7.439 3.793 1.00 0.00 H new ATOM 0 HB2 MET A 32 1.898 -6.943 0.882 1.00 0.00 H new ATOM 0 HB3 MET A 32 1.125 -8.121 1.924 1.00 0.00 H new ATOM 0 HG2 MET A 32 -0.359 -6.460 2.313 1.00 0.00 H new ATOM 0 HG3 MET A 32 0.839 -5.901 3.464 1.00 0.00 H new ATOM 0 HE1 MET A 32 1.818 -2.574 2.400 1.00 0.00 H new ATOM 0 HE2 MET A 32 0.350 -3.041 3.290 1.00 0.00 H new ATOM 0 HE3 MET A 32 1.868 -3.933 3.547 1.00 0.00 H new ATOM 464 N ILE A 33 3.402 -9.627 2.668 1.00 0.00 N ATOM 465 CA ILE A 33 4.142 -10.820 2.271 1.00 0.00 C ATOM 466 C ILE A 33 3.195 -11.971 1.943 1.00 0.00 C ATOM 467 O ILE A 33 2.118 -12.082 2.527 1.00 0.00 O ATOM 468 CB ILE A 33 5.122 -11.258 3.380 1.00 0.00 C ATOM 469 CG1 ILE A 33 5.863 -12.543 2.978 1.00 0.00 C ATOM 470 CG2 ILE A 33 4.384 -11.438 4.701 1.00 0.00 C ATOM 471 CD1 ILE A 33 5.151 -13.823 3.372 1.00 0.00 C ATOM 0 H ILE A 33 2.600 -9.810 3.271 1.00 0.00 H new ATOM 0 HA ILE A 33 4.710 -10.566 1.376 1.00 0.00 H new ATOM 0 HB ILE A 33 5.867 -10.474 3.512 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.011 -12.541 1.898 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.853 -12.536 3.435 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.089 -11.747 5.473 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.920 -10.495 4.990 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.614 -12.201 4.587 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.741 -14.681 3.051 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.027 -13.852 4.455 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.172 -13.857 2.894 1.00 0.00 H new ATOM 483 N CYS A 34 3.599 -12.826 1.004 1.00 0.00 N ATOM 484 CA CYS A 34 2.776 -13.963 0.608 1.00 0.00 C ATOM 485 C CYS A 34 3.246 -15.239 1.299 1.00 0.00 C ATOM 486 O CYS A 34 4.298 -15.781 0.962 1.00 0.00 O ATOM 487 CB CYS A 34 2.832 -14.139 -0.908 1.00 0.00 C ATOM 488 SG CYS A 34 1.765 -15.444 -1.558 1.00 0.00 S ATOM 0 H CYS A 34 4.487 -12.752 0.507 1.00 0.00 H new ATOM 0 HA CYS A 34 1.747 -13.768 0.911 1.00 0.00 H new ATOM 0 HB2 CYS A 34 2.557 -13.196 -1.380 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.861 -14.352 -1.197 1.00 0.00 H new ATOM 493 N PRO A 35 2.479 -15.741 2.283 1.00 0.00 N ATOM 494 CA PRO A 35 2.839 -16.958 3.015 1.00 0.00 C ATOM 495 C PRO A 35 3.157 -18.127 2.086 1.00 0.00 C ATOM 496 O PRO A 35 3.860 -19.062 2.471 1.00 0.00 O ATOM 497 CB PRO A 35 1.590 -17.258 3.846 1.00 0.00 C ATOM 498 CG PRO A 35 0.927 -15.937 4.020 1.00 0.00 C ATOM 499 CD PRO A 35 1.208 -15.164 2.761 1.00 0.00 C ATOM 0 HA PRO A 35 3.741 -16.820 3.612 1.00 0.00 H new ATOM 0 HB2 PRO A 35 0.936 -17.966 3.337 1.00 0.00 H new ATOM 0 HB3 PRO A 35 1.851 -17.700 4.808 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.146 -16.056 4.174 1.00 0.00 H new ATOM 0 HG3 PRO A 35 1.319 -15.416 4.894 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.410 -15.286 2.028 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.300 -14.096 2.957 1.00 0.00 H new ATOM 507 N GLU A 36 2.633 -18.072 0.866 1.00 0.00 N ATOM 508 CA GLU A 36 2.863 -19.132 -0.109 1.00 0.00 C ATOM 509 C GLU A 36 4.277 -19.054 -0.686 1.00 0.00 C ATOM 510 O GLU A 36 5.162 -19.802 -0.271 1.00 0.00 O ATOM 511 CB GLU A 36 1.824 -19.057 -1.228 1.00 0.00 C ATOM 512 CG GLU A 36 0.391 -19.186 -0.737 1.00 0.00 C ATOM 513 CD GLU A 36 -0.154 -20.591 -0.897 1.00 0.00 C ATOM 514 OE1 GLU A 36 0.625 -21.553 -0.734 1.00 0.00 O ATOM 515 OE2 GLU A 36 -1.362 -20.729 -1.186 1.00 0.00 O ATOM 0 H GLU A 36 2.048 -17.307 0.530 1.00 0.00 H new ATOM 0 HA GLU A 36 2.762 -20.090 0.402 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.935 -18.108 -1.753 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.024 -19.847 -1.952 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.343 -18.899 0.313 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.242 -18.490 -1.287 1.00 0.00 H new ATOM 522 N CYS A 37 4.492 -18.149 -1.642 1.00 0.00 N ATOM 523 CA CYS A 37 5.810 -17.996 -2.254 1.00 0.00 C ATOM 524 C CYS A 37 6.763 -17.267 -1.317 1.00 0.00 C ATOM 525 O CYS A 37 7.948 -17.593 -1.241 1.00 0.00 O ATOM 526 CB CYS A 37 5.725 -17.232 -3.580 1.00 0.00 C ATOM 527 SG CYS A 37 4.877 -15.642 -3.485 1.00 0.00 S ATOM 0 H CYS A 37 3.778 -17.518 -2.005 1.00 0.00 H new ATOM 0 HA CYS A 37 6.191 -18.999 -2.448 1.00 0.00 H new ATOM 0 HB2 CYS A 37 6.736 -17.067 -3.953 1.00 0.00 H new ATOM 0 HB3 CYS A 37 5.213 -17.858 -4.311 1.00 0.00 H new ATOM 532 N GLY A 38 6.239 -16.271 -0.613 1.00 0.00 N ATOM 533 CA GLY A 38 7.057 -15.500 0.300 1.00 0.00 C ATOM 534 C GLY A 38 7.633 -14.267 -0.364 1.00 0.00 C ATOM 535 O GLY A 38 8.833 -14.006 -0.275 1.00 0.00 O ATOM 0 H GLY A 38 5.261 -15.984 -0.659 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.459 -15.203 1.161 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.869 -16.123 0.675 1.00 0.00 H new ATOM 539 N LEU A 39 6.773 -13.509 -1.038 1.00 0.00 N ATOM 540 CA LEU A 39 7.200 -12.298 -1.727 1.00 0.00 C ATOM 541 C LEU A 39 6.867 -11.061 -0.903 1.00 0.00 C ATOM 542 O LEU A 39 6.336 -11.167 0.201 1.00 0.00 O ATOM 543 CB LEU A 39 6.542 -12.209 -3.108 1.00 0.00 C ATOM 544 CG LEU A 39 5.088 -11.724 -3.112 1.00 0.00 C ATOM 545 CD1 LEU A 39 5.015 -10.258 -3.517 1.00 0.00 C ATOM 546 CD2 LEU A 39 4.239 -12.579 -4.043 1.00 0.00 C ATOM 0 H LEU A 39 5.777 -13.713 -1.121 1.00 0.00 H new ATOM 0 HA LEU A 39 8.281 -12.343 -1.856 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.133 -11.538 -3.731 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.580 -13.193 -3.574 1.00 0.00 H new ATOM 0 HG LEU A 39 4.692 -11.822 -2.101 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.975 -9.931 -3.514 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.586 -9.656 -2.810 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.431 -10.136 -4.517 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.210 -12.218 -4.031 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.634 -12.516 -5.057 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.264 -13.616 -3.708 1.00 0.00 H new ATOM 558 N VAL A 40 7.180 -9.892 -1.450 1.00 0.00 N ATOM 559 CA VAL A 40 6.914 -8.632 -0.765 1.00 0.00 C ATOM 560 C VAL A 40 6.316 -7.604 -1.719 1.00 0.00 C ATOM 561 O VAL A 40 7.004 -7.084 -2.598 1.00 0.00 O ATOM 562 CB VAL A 40 8.195 -8.051 -0.139 1.00 0.00 C ATOM 563 CG1 VAL A 40 7.862 -6.866 0.756 1.00 0.00 C ATOM 564 CG2 VAL A 40 8.943 -9.122 0.641 1.00 0.00 C ATOM 0 H VAL A 40 7.618 -9.790 -2.365 1.00 0.00 H new ATOM 0 HA VAL A 40 6.198 -8.848 0.028 1.00 0.00 H new ATOM 0 HB VAL A 40 8.843 -7.701 -0.943 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.780 -6.468 1.190 1.00 0.00 H new ATOM 0 HG12 VAL A 40 7.374 -6.090 0.166 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.194 -7.189 1.554 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.845 -8.692 1.076 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.304 -9.506 1.436 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.216 -9.937 -0.030 1.00 0.00 H new ATOM 574 N VAL A 41 5.032 -7.314 -1.537 1.00 0.00 N ATOM 575 CA VAL A 41 4.341 -6.347 -2.380 1.00 0.00 C ATOM 576 C VAL A 41 4.079 -5.046 -1.626 1.00 0.00 C ATOM 577 O VAL A 41 3.634 -5.061 -0.478 1.00 0.00 O ATOM 578 CB VAL A 41 3.002 -6.907 -2.903 1.00 0.00 C ATOM 579 CG1 VAL A 41 2.030 -7.142 -1.756 1.00 0.00 C ATOM 580 CG2 VAL A 41 2.399 -5.967 -3.937 1.00 0.00 C ATOM 0 H VAL A 41 4.450 -7.735 -0.813 1.00 0.00 H new ATOM 0 HA VAL A 41 4.995 -6.145 -3.228 1.00 0.00 H new ATOM 0 HB VAL A 41 3.196 -7.866 -3.383 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.093 -7.537 -2.148 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.460 -7.858 -1.055 1.00 0.00 H new ATOM 0 HG13 VAL A 41 1.840 -6.200 -1.242 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.455 -6.378 -4.295 1.00 0.00 H new ATOM 0 HG22 VAL A 41 2.222 -4.992 -3.483 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.088 -5.857 -4.774 1.00 0.00 H new ATOM 590 N GLY A 42 4.356 -3.925 -2.282 1.00 0.00 N ATOM 591 CA GLY A 42 4.144 -2.631 -1.662 1.00 0.00 C ATOM 592 C GLY A 42 5.438 -1.970 -1.226 1.00 0.00 C ATOM 593 O GLY A 42 5.424 -1.040 -0.420 1.00 0.00 O ATOM 0 H GLY A 42 4.724 -3.889 -3.233 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.626 -1.977 -2.364 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.492 -2.750 -0.796 1.00 0.00 H new ATOM 597 N ASP A 43 6.558 -2.446 -1.760 1.00 0.00 N ATOM 598 CA ASP A 43 7.861 -1.888 -1.418 1.00 0.00 C ATOM 599 C ASP A 43 8.029 -0.497 -2.022 1.00 0.00 C ATOM 600 O ASP A 43 7.174 -0.030 -2.774 1.00 0.00 O ATOM 601 CB ASP A 43 8.980 -2.808 -1.909 1.00 0.00 C ATOM 602 CG ASP A 43 9.258 -3.946 -0.947 1.00 0.00 C ATOM 603 OD1 ASP A 43 9.569 -3.666 0.230 1.00 0.00 O ATOM 604 OD2 ASP A 43 9.165 -5.118 -1.370 1.00 0.00 O ATOM 0 H ASP A 43 6.590 -3.215 -2.430 1.00 0.00 H new ATOM 0 HA ASP A 43 7.920 -1.805 -0.333 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.709 -3.217 -2.882 1.00 0.00 H new ATOM 0 HB3 ASP A 43 9.890 -2.225 -2.050 1.00 0.00 H new ATOM 609 N ARG A 44 9.135 0.160 -1.689 1.00 0.00 N ATOM 610 CA ARG A 44 9.412 1.497 -2.201 1.00 0.00 C ATOM 611 C ARG A 44 10.149 1.426 -3.536 1.00 0.00 C ATOM 612 O ARG A 44 11.360 1.638 -3.599 1.00 0.00 O ATOM 613 CB ARG A 44 10.239 2.294 -1.190 1.00 0.00 C ATOM 614 CG ARG A 44 9.400 2.966 -0.114 1.00 0.00 C ATOM 615 CD ARG A 44 9.033 4.388 -0.503 1.00 0.00 C ATOM 616 NE ARG A 44 8.508 5.147 0.630 1.00 0.00 N ATOM 617 CZ ARG A 44 8.409 6.474 0.653 1.00 0.00 C ATOM 618 NH1 ARG A 44 8.798 7.194 -0.393 1.00 0.00 N ATOM 619 NH2 ARG A 44 7.920 7.084 1.724 1.00 0.00 N ATOM 0 H ARG A 44 9.853 -0.211 -1.067 1.00 0.00 H new ATOM 0 HA ARG A 44 8.459 2.003 -2.358 1.00 0.00 H new ATOM 0 HB2 ARG A 44 10.958 1.627 -0.715 1.00 0.00 H new ATOM 0 HB3 ARG A 44 10.812 3.055 -1.720 1.00 0.00 H new ATOM 0 HG2 ARG A 44 8.492 2.388 0.055 1.00 0.00 H new ATOM 0 HG3 ARG A 44 9.951 2.975 0.826 1.00 0.00 H new ATOM 0 HD2 ARG A 44 9.913 4.893 -0.902 1.00 0.00 H new ATOM 0 HD3 ARG A 44 8.290 4.366 -1.300 1.00 0.00 H new ATOM 0 HE ARG A 44 8.199 4.629 1.452 1.00 0.00 H new ATOM 0 HH11 ARG A 44 9.175 6.730 -1.220 1.00 0.00 H new ATOM 0 HH12 ARG A 44 8.720 8.211 -0.370 1.00 0.00 H new ATOM 0 HH21 ARG A 44 7.620 6.536 2.530 1.00 0.00 H new ATOM 0 HH22 ARG A 44 7.844 8.101 1.742 1.00 0.00 H new ATOM 633 N VAL A 45 9.408 1.125 -4.598 1.00 0.00 N ATOM 634 CA VAL A 45 9.992 1.025 -5.931 1.00 0.00 C ATOM 635 C VAL A 45 8.906 0.958 -7.002 1.00 0.00 C ATOM 636 O VAL A 45 7.876 0.312 -6.816 1.00 0.00 O ATOM 637 CB VAL A 45 10.903 -0.213 -6.053 1.00 0.00 C ATOM 638 CG1 VAL A 45 10.106 -1.490 -5.828 1.00 0.00 C ATOM 639 CG2 VAL A 45 11.594 -0.239 -7.408 1.00 0.00 C ATOM 0 H VAL A 45 8.404 0.946 -4.562 1.00 0.00 H new ATOM 0 HA VAL A 45 10.592 1.922 -6.084 1.00 0.00 H new ATOM 0 HB VAL A 45 11.670 -0.151 -5.281 1.00 0.00 H new ATOM 0 HG11 VAL A 45 10.767 -2.352 -5.918 1.00 0.00 H new ATOM 0 HG12 VAL A 45 9.666 -1.473 -4.831 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.314 -1.561 -6.573 1.00 0.00 H new ATOM 0 HG21 VAL A 45 12.232 -1.120 -7.474 1.00 0.00 H new ATOM 0 HG22 VAL A 45 10.844 -0.274 -8.198 1.00 0.00 H new ATOM 0 HG23 VAL A 45 12.202 0.659 -7.524 1.00 0.00 H new ATOM 649 N ILE A 46 9.147 1.631 -8.122 1.00 0.00 N ATOM 650 CA ILE A 46 8.191 1.647 -9.224 1.00 0.00 C ATOM 651 C ILE A 46 8.910 1.643 -10.571 1.00 0.00 C ATOM 652 O ILE A 46 8.794 2.588 -11.354 1.00 0.00 O ATOM 653 CB ILE A 46 7.263 2.878 -9.142 1.00 0.00 C ATOM 654 CG1 ILE A 46 6.207 2.824 -10.249 1.00 0.00 C ATOM 655 CG2 ILE A 46 8.072 4.163 -9.235 1.00 0.00 C ATOM 656 CD1 ILE A 46 4.924 3.543 -9.895 1.00 0.00 C ATOM 0 H ILE A 46 9.995 2.172 -8.291 1.00 0.00 H new ATOM 0 HA ILE A 46 7.586 0.744 -9.139 1.00 0.00 H new ATOM 0 HB ILE A 46 6.753 2.864 -8.179 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.621 3.262 -11.157 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.980 1.782 -10.473 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.401 5.020 -9.175 1.00 0.00 H new ATOM 0 HG22 ILE A 46 8.786 4.203 -8.413 1.00 0.00 H new ATOM 0 HG23 ILE A 46 8.609 4.187 -10.183 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.222 3.464 -10.725 1.00 0.00 H new ATOM 0 HD12 ILE A 46 4.487 3.090 -9.005 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.138 4.594 -9.700 1.00 0.00 H new ATOM 668 N ASP A 47 9.653 0.573 -10.835 1.00 0.00 N ATOM 669 CA ASP A 47 10.391 0.445 -12.087 1.00 0.00 C ATOM 670 C ASP A 47 10.991 -0.950 -12.225 1.00 0.00 C ATOM 671 O ASP A 47 12.129 -1.107 -12.667 1.00 0.00 O ATOM 672 CB ASP A 47 11.496 1.501 -12.161 1.00 0.00 C ATOM 673 CG ASP A 47 11.600 2.136 -13.534 1.00 0.00 C ATOM 674 OD1 ASP A 47 11.464 1.404 -14.537 1.00 0.00 O ATOM 675 OD2 ASP A 47 11.818 3.364 -13.605 1.00 0.00 O ATOM 0 H ASP A 47 9.760 -0.218 -10.199 1.00 0.00 H new ATOM 0 HA ASP A 47 9.693 0.602 -12.910 1.00 0.00 H new ATOM 0 HB2 ASP A 47 11.304 2.276 -11.419 1.00 0.00 H new ATOM 0 HB3 ASP A 47 12.451 1.042 -11.903 1.00 0.00 H new ATOM 680 N VAL A 48 10.217 -1.961 -11.844 1.00 0.00 N ATOM 681 CA VAL A 48 10.667 -3.341 -11.923 1.00 0.00 C ATOM 682 C VAL A 48 10.971 -3.740 -13.363 1.00 0.00 C ATOM 683 O VAL A 48 11.840 -4.575 -13.617 1.00 0.00 O ATOM 684 CB VAL A 48 9.611 -4.300 -11.349 1.00 0.00 C ATOM 685 CG1 VAL A 48 9.616 -4.253 -9.829 1.00 0.00 C ATOM 686 CG2 VAL A 48 8.230 -3.968 -11.896 1.00 0.00 C ATOM 0 H VAL A 48 9.272 -1.847 -11.477 1.00 0.00 H new ATOM 0 HA VAL A 48 11.580 -3.414 -11.331 1.00 0.00 H new ATOM 0 HB VAL A 48 9.863 -5.314 -11.659 1.00 0.00 H new ATOM 0 HG11 VAL A 48 8.862 -4.938 -9.441 1.00 0.00 H new ATOM 0 HG12 VAL A 48 10.598 -4.547 -9.459 1.00 0.00 H new ATOM 0 HG13 VAL A 48 9.391 -3.240 -9.496 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.497 -4.658 -11.478 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.965 -2.947 -11.621 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.237 -4.061 -12.982 1.00 0.00 H new ATOM 696 N GLY A 49 10.251 -3.136 -14.304 1.00 0.00 N ATOM 697 CA GLY A 49 10.460 -3.441 -15.708 1.00 0.00 C ATOM 698 C GLY A 49 9.248 -4.093 -16.346 1.00 0.00 C ATOM 699 O GLY A 49 8.377 -4.615 -15.651 1.00 0.00 O ATOM 0 H GLY A 49 9.527 -2.441 -14.119 1.00 0.00 H new ATOM 0 HA2 GLY A 49 10.700 -2.523 -16.244 1.00 0.00 H new ATOM 0 HA3 GLY A 49 11.320 -4.103 -15.809 1.00 0.00 H new ATOM 703 N SER A 50 9.194 -4.061 -17.674 1.00 0.00 N ATOM 704 CA SER A 50 8.081 -4.652 -18.409 1.00 0.00 C ATOM 705 C SER A 50 6.772 -3.942 -18.081 1.00 0.00 C ATOM 706 O SER A 50 6.525 -3.573 -16.933 1.00 0.00 O ATOM 707 CB SER A 50 7.960 -6.143 -18.086 1.00 0.00 C ATOM 708 OG SER A 50 7.051 -6.784 -18.964 1.00 0.00 O ATOM 0 H SER A 50 9.908 -3.632 -18.263 1.00 0.00 H new ATOM 0 HA SER A 50 8.281 -4.533 -19.474 1.00 0.00 H new ATOM 0 HB2 SER A 50 8.939 -6.615 -18.163 1.00 0.00 H new ATOM 0 HB3 SER A 50 7.626 -6.269 -17.056 1.00 0.00 H new ATOM 0 HG SER A 50 6.993 -7.736 -18.737 1.00 0.00 H new ATOM 714 N GLU A 51 5.936 -3.753 -19.097 1.00 0.00 N ATOM 715 CA GLU A 51 4.651 -3.086 -18.917 1.00 0.00 C ATOM 716 C GLU A 51 3.577 -3.732 -19.786 1.00 0.00 C ATOM 717 O GLU A 51 3.532 -3.516 -20.996 1.00 0.00 O ATOM 718 CB GLU A 51 4.772 -1.600 -19.255 1.00 0.00 C ATOM 719 CG GLU A 51 5.753 -0.851 -18.368 1.00 0.00 C ATOM 720 CD GLU A 51 5.187 -0.556 -16.993 1.00 0.00 C ATOM 721 OE1 GLU A 51 4.860 -1.518 -16.266 1.00 0.00 O ATOM 722 OE2 GLU A 51 5.071 0.638 -16.642 1.00 0.00 O ATOM 0 H GLU A 51 6.125 -4.052 -20.054 1.00 0.00 H new ATOM 0 HA GLU A 51 4.359 -3.190 -17.872 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.083 -1.497 -20.294 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.790 -1.135 -19.169 1.00 0.00 H new ATOM 0 HG2 GLU A 51 6.665 -1.439 -18.263 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.032 0.086 -18.851 1.00 0.00 H new ATOM 729 N TRP A 52 2.714 -4.524 -19.159 1.00 0.00 N ATOM 730 CA TRP A 52 1.638 -5.201 -19.874 1.00 0.00 C ATOM 731 C TRP A 52 0.280 -4.628 -19.480 1.00 0.00 C ATOM 732 O TRP A 52 -0.636 -4.556 -20.301 1.00 0.00 O ATOM 733 CB TRP A 52 1.676 -6.705 -19.588 1.00 0.00 C ATOM 734 CG TRP A 52 2.001 -7.530 -20.796 1.00 0.00 C ATOM 735 CD1 TRP A 52 2.964 -8.493 -20.896 1.00 0.00 C ATOM 736 CD2 TRP A 52 1.363 -7.465 -22.076 1.00 0.00 C ATOM 737 NE1 TRP A 52 2.964 -9.031 -22.161 1.00 0.00 N ATOM 738 CE2 TRP A 52 1.989 -8.416 -22.903 1.00 0.00 C ATOM 739 CE3 TRP A 52 0.321 -6.695 -22.603 1.00 0.00 C ATOM 740 CZ2 TRP A 52 1.609 -8.617 -24.228 1.00 0.00 C ATOM 741 CZ3 TRP A 52 -0.056 -6.896 -23.919 1.00 0.00 C ATOM 742 CH2 TRP A 52 0.586 -7.850 -24.718 1.00 0.00 C ATOM 0 H TRP A 52 2.739 -4.713 -18.157 1.00 0.00 H new ATOM 0 HA TRP A 52 1.784 -5.038 -20.942 1.00 0.00 H new ATOM 0 HB2 TRP A 52 2.416 -6.902 -18.812 1.00 0.00 H new ATOM 0 HB3 TRP A 52 0.709 -7.017 -19.193 1.00 0.00 H new ATOM 0 HD1 TRP A 52 3.629 -8.789 -20.098 1.00 0.00 H new ATOM 0 HE1 TRP A 52 3.587 -9.767 -22.493 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -0.180 -5.957 -21.994 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 2.103 -9.351 -24.847 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -0.859 -6.307 -24.337 1.00 0.00 H new ATOM 0 HH2 TRP A 52 0.268 -7.984 -25.741 1.00 0.00 H new ATOM 753 N ARG A 53 0.157 -4.222 -18.222 1.00 0.00 N ATOM 754 CA ARG A 53 -1.089 -3.655 -17.719 1.00 0.00 C ATOM 755 C ARG A 53 -1.247 -2.206 -18.169 1.00 0.00 C ATOM 756 O ARG A 53 -0.717 -1.289 -17.541 1.00 0.00 O ATOM 757 CB ARG A 53 -1.131 -3.739 -16.190 1.00 0.00 C ATOM 758 CG ARG A 53 -2.388 -4.402 -15.651 1.00 0.00 C ATOM 759 CD ARG A 53 -3.381 -3.378 -15.129 1.00 0.00 C ATOM 760 NE ARG A 53 -4.759 -3.854 -15.218 1.00 0.00 N ATOM 761 CZ ARG A 53 -5.825 -3.081 -15.021 1.00 0.00 C ATOM 762 NH1 ARG A 53 -5.675 -1.795 -14.723 1.00 0.00 N ATOM 763 NH2 ARG A 53 -7.044 -3.592 -15.122 1.00 0.00 N ATOM 0 H ARG A 53 0.905 -4.275 -17.531 1.00 0.00 H new ATOM 0 HA ARG A 53 -1.916 -4.234 -18.129 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -0.260 -4.293 -15.841 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.055 -2.733 -15.777 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.855 -4.993 -16.439 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.121 -5.092 -14.850 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -3.146 -3.142 -14.091 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -3.280 -2.453 -15.697 1.00 0.00 H new ATOM 0 HE ARG A 53 -4.914 -4.836 -15.444 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -4.740 -1.395 -14.644 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -6.495 -1.207 -14.573 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -7.166 -4.578 -15.351 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -7.860 -2.999 -14.971 1.00 0.00 H new ATOM 777 N THR A 54 -1.979 -2.006 -19.260 1.00 0.00 N ATOM 778 CA THR A 54 -2.207 -0.668 -19.794 1.00 0.00 C ATOM 779 C THR A 54 -3.668 -0.482 -20.191 1.00 0.00 C ATOM 780 O THR A 54 -3.971 -0.083 -21.316 1.00 0.00 O ATOM 781 CB THR A 54 -1.298 -0.418 -20.999 1.00 0.00 C ATOM 782 OG1 THR A 54 -1.071 -1.620 -21.714 1.00 0.00 O ATOM 783 CG2 THR A 54 0.050 0.156 -20.624 1.00 0.00 C ATOM 0 H THR A 54 -2.425 -2.754 -19.792 1.00 0.00 H new ATOM 0 HA THR A 54 -1.970 0.055 -19.014 1.00 0.00 H new ATOM 0 HB THR A 54 -1.826 0.312 -21.612 1.00 0.00 H new ATOM 0 HG1 THR A 54 -0.489 -1.439 -22.481 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.644 0.309 -21.525 1.00 0.00 H new ATOM 0 HG22 THR A 54 -0.089 1.110 -20.115 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.568 -0.536 -19.961 1.00 0.00 H new ATOM 791 N PHE A 55 -4.569 -0.773 -19.259 1.00 0.00 N ATOM 792 CA PHE A 55 -5.999 -0.636 -19.510 1.00 0.00 C ATOM 793 C PHE A 55 -6.537 0.656 -18.904 1.00 0.00 C ATOM 794 O PHE A 55 -7.687 0.718 -18.471 1.00 0.00 O ATOM 795 CB PHE A 55 -6.755 -1.836 -18.936 1.00 0.00 C ATOM 796 CG PHE A 55 -6.188 -3.161 -19.358 1.00 0.00 C ATOM 797 CD1 PHE A 55 -5.906 -3.416 -20.691 1.00 0.00 C ATOM 798 CD2 PHE A 55 -5.935 -4.151 -18.422 1.00 0.00 C ATOM 799 CE1 PHE A 55 -5.383 -4.634 -21.083 1.00 0.00 C ATOM 800 CE2 PHE A 55 -5.414 -5.372 -18.809 1.00 0.00 C ATOM 801 CZ PHE A 55 -5.138 -5.613 -20.140 1.00 0.00 C ATOM 0 H PHE A 55 -4.335 -1.105 -18.323 1.00 0.00 H new ATOM 0 HA PHE A 55 -6.152 -0.601 -20.589 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -6.744 -1.775 -17.848 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -7.798 -1.781 -19.248 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -6.097 -2.654 -21.432 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -6.147 -3.967 -17.379 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -5.166 -4.820 -22.125 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -5.223 -6.137 -18.071 1.00 0.00 H new ATOM 0 HZ PHE A 55 -4.731 -6.566 -20.444 1.00 0.00 H new ATOM 811 N SER A 56 -5.697 1.685 -18.878 1.00 0.00 N ATOM 812 CA SER A 56 -6.088 2.976 -18.324 1.00 0.00 C ATOM 813 C SER A 56 -7.060 3.694 -19.255 1.00 0.00 C ATOM 814 O SER A 56 -7.191 3.339 -20.427 1.00 0.00 O ATOM 815 CB SER A 56 -4.854 3.847 -18.085 1.00 0.00 C ATOM 816 OG SER A 56 -5.020 4.663 -16.937 1.00 0.00 O ATOM 0 H SER A 56 -4.742 1.650 -19.234 1.00 0.00 H new ATOM 0 HA SER A 56 -6.588 2.799 -17.372 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.976 3.213 -17.961 1.00 0.00 H new ATOM 0 HB3 SER A 56 -4.673 4.474 -18.958 1.00 0.00 H new ATOM 0 HG SER A 56 -4.217 5.209 -16.805 1.00 0.00 H new ATOM 822 N ASN A 57 -7.740 4.707 -18.725 1.00 0.00 N ATOM 823 CA ASN A 57 -8.700 5.476 -19.509 1.00 0.00 C ATOM 824 C ASN A 57 -9.847 4.592 -19.985 1.00 0.00 C ATOM 825 O ASN A 57 -9.668 3.397 -20.220 1.00 0.00 O ATOM 826 CB ASN A 57 -8.009 6.127 -20.708 1.00 0.00 C ATOM 827 CG ASN A 57 -6.852 7.015 -20.298 1.00 0.00 C ATOM 828 OD1 ASN A 57 -5.752 6.534 -20.021 1.00 0.00 O ATOM 829 ND2 ASN A 57 -7.093 8.321 -20.254 1.00 0.00 N ATOM 0 H ASN A 57 -7.644 5.014 -17.757 1.00 0.00 H new ATOM 0 HA ASN A 57 -9.110 6.257 -18.869 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -7.646 5.350 -21.380 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -8.736 6.717 -21.266 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -6.352 8.967 -19.983 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -8.019 8.677 -20.491 1.00 0.00 H new ATOM 836 N ASP A 58 -11.027 5.188 -20.126 1.00 0.00 N ATOM 837 CA ASP A 58 -12.205 4.455 -20.575 1.00 0.00 C ATOM 838 C ASP A 58 -13.249 5.405 -21.154 1.00 0.00 C ATOM 839 O ASP A 58 -14.450 5.155 -21.060 1.00 0.00 O ATOM 840 CB ASP A 58 -12.810 3.661 -19.415 1.00 0.00 C ATOM 841 CG ASP A 58 -13.381 2.329 -19.862 1.00 0.00 C ATOM 842 OD1 ASP A 58 -14.576 2.287 -20.220 1.00 0.00 O ATOM 843 OD2 ASP A 58 -12.633 1.330 -19.854 1.00 0.00 O ATOM 0 H ASP A 58 -11.192 6.176 -19.936 1.00 0.00 H new ATOM 0 HA ASP A 58 -11.895 3.763 -21.358 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.045 3.490 -18.658 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -13.597 4.251 -18.945 1.00 0.00 H new ATOM 848 N LYS A 59 -12.782 6.495 -21.754 1.00 0.00 N ATOM 849 CA LYS A 59 -13.674 7.482 -22.349 1.00 0.00 C ATOM 850 C LYS A 59 -14.276 6.960 -23.649 1.00 0.00 C ATOM 851 O LYS A 59 -15.467 7.130 -23.907 1.00 0.00 O ATOM 852 CB LYS A 59 -12.921 8.789 -22.609 1.00 0.00 C ATOM 853 CG LYS A 59 -12.502 9.512 -21.339 1.00 0.00 C ATOM 854 CD LYS A 59 -13.279 10.806 -21.148 1.00 0.00 C ATOM 855 CE LYS A 59 -14.579 10.572 -20.395 1.00 0.00 C ATOM 856 NZ LYS A 59 -15.719 11.305 -21.012 1.00 0.00 N ATOM 857 OXT LYS A 59 -13.444 6.263 -24.582 1.00 0.00 O ATOM 0 H LYS A 59 -11.790 6.717 -21.841 1.00 0.00 H new ATOM 0 HA LYS A 59 -14.485 7.672 -21.646 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -12.034 8.575 -23.205 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -13.552 9.450 -23.203 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -12.662 8.861 -20.480 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -11.435 9.730 -21.379 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -12.665 11.522 -20.602 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -13.496 11.248 -22.121 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -14.801 9.505 -20.377 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -14.461 10.890 -19.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -16.586 11.119 -20.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -15.519 12.326 -21.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -15.849 10.983 -21.992 1.00 0.00 H new TER 871 LYS A 59 HETATM 872 ZN ZN A 60 2.605 -15.987 -3.620 1.00 0.00 ZN