USER MOD reduce.3.24.130724 H: found=0, std=0, add=435, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 434 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 48 THR OG1 : rot 112:sc= 0.393 USER MOD Set 1.2: A 50 THR OG1 : rot -110:sc= 1.05 USER MOD Set 2.1: A 31 GLN : amide:sc= -3.42! C(o=-2.8!,f=-7.9!) USER MOD Set 2.2: A 33 TYR OH : rot -83:sc= 0.629 USER MOD Set 3.1: A 6 LYS NZ :NH3+ -127:sc= 0.982 (180deg=-0.352) USER MOD Set 3.2: A 51 HIS : no HE2:sc= -1.37! C(o=-0.39!,f=-8.6!) USER MOD Single : A 4 MET CE :methyl -155:sc= -0.182 (180deg=-1.4!) USER MOD Single : A 8 TYR OH : rot -20:sc= -4.07! USER MOD Single : A 16 TYR OH : rot 15:sc= -5.23! USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -137:sc= 1.2 (180deg=-1.1) USER MOD Single : A 32 THR OG1 : rot -24:sc= 0.329 USER MOD Single : A 34 ASN : amide:sc= -9.21! C(o=-9.2!,f=-15!) USER MOD Single : A 35 ASN : amide:sc= -6.25! C(o=-6.2!,f=-20!) USER MOD Single : A 38 MET CE :methyl -141:sc= -0.137 (180deg=-0.913) USER MOD Single : A 41 HIS : no HE2:sc= -0.499 K(o=-0.5,f=-3.9!) USER MOD Single : A 43 ASN : amide:sc= -5.17! C(o=-5.2!,f=-4.9!) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 49 ASN : amide:sc=-0.00197 K(o=-0.002,f=-1.2) USER MOD Single : A 54 SER OG : rot 180:sc= -0.0592 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 41 N MET A 4 4.598 -29.976 2.818 1.00 0.00 N ATOM 42 CA MET A 4 4.424 -31.036 1.787 1.00 0.00 C ATOM 43 C MET A 4 5.469 -30.841 0.687 1.00 0.00 C ATOM 44 O MET A 4 5.854 -31.773 0.009 1.00 0.00 O ATOM 45 CB MET A 4 3.023 -30.936 1.183 1.00 0.00 C ATOM 46 CG MET A 4 2.826 -32.059 0.163 1.00 0.00 C ATOM 47 SD MET A 4 1.257 -31.818 -0.705 1.00 0.00 S ATOM 48 CE MET A 4 0.178 -31.941 0.742 1.00 0.00 C ATOM 0 HA MET A 4 4.550 -32.017 2.244 1.00 0.00 H new ATOM 0 HB2 MET A 4 2.271 -31.008 1.969 1.00 0.00 H new ATOM 0 HB3 MET A 4 2.891 -29.967 0.703 1.00 0.00 H new ATOM 0 HG2 MET A 4 3.651 -32.066 -0.550 1.00 0.00 H new ATOM 0 HG3 MET A 4 2.831 -33.026 0.666 1.00 0.00 H new ATOM 0 HE1 MET A 4 -0.816 -32.262 0.429 1.00 0.00 H new ATOM 0 HE2 MET A 4 0.590 -32.668 1.442 1.00 0.00 H new ATOM 0 HE3 MET A 4 0.109 -30.968 1.228 1.00 0.00 H new ATOM 58 N CYS A 5 5.933 -29.634 0.508 1.00 0.00 N ATOM 59 CA CYS A 5 6.956 -29.377 -0.544 1.00 0.00 C ATOM 60 C CYS A 5 8.335 -29.772 -0.011 1.00 0.00 C ATOM 61 O CYS A 5 9.221 -30.137 -0.759 1.00 0.00 O ATOM 62 CB CYS A 5 6.956 -27.889 -0.907 1.00 0.00 C ATOM 63 SG CYS A 5 5.271 -27.362 -1.311 1.00 0.00 S ATOM 0 H CYS A 5 5.648 -28.815 1.045 1.00 0.00 H new ATOM 0 HA CYS A 5 6.723 -29.965 -1.432 1.00 0.00 H new ATOM 0 HB2 CYS A 5 7.342 -27.301 -0.074 1.00 0.00 H new ATOM 0 HB3 CYS A 5 7.617 -27.711 -1.756 1.00 0.00 H new ATOM 68 N LYS A 6 8.523 -29.700 1.279 1.00 0.00 N ATOM 69 CA LYS A 6 9.844 -30.072 1.861 1.00 0.00 C ATOM 70 C LYS A 6 10.065 -31.577 1.697 1.00 0.00 C ATOM 71 O LYS A 6 11.156 -32.078 1.887 1.00 0.00 O ATOM 72 CB LYS A 6 9.865 -29.715 3.349 1.00 0.00 C ATOM 73 CG LYS A 6 9.656 -28.208 3.518 1.00 0.00 C ATOM 74 CD LYS A 6 10.045 -27.796 4.938 1.00 0.00 C ATOM 75 CE LYS A 6 9.830 -26.290 5.111 1.00 0.00 C ATOM 76 NZ LYS A 6 8.371 -25.990 5.072 1.00 0.00 N ATOM 0 H LYS A 6 7.820 -29.400 1.954 1.00 0.00 H new ATOM 0 HA LYS A 6 10.635 -29.528 1.345 1.00 0.00 H new ATOM 0 HB2 LYS A 6 9.083 -30.262 3.876 1.00 0.00 H new ATOM 0 HB3 LYS A 6 10.816 -30.012 3.791 1.00 0.00 H new ATOM 0 HG2 LYS A 6 10.259 -27.663 2.792 1.00 0.00 H new ATOM 0 HG3 LYS A 6 8.614 -27.951 3.326 1.00 0.00 H new ATOM 0 HD2 LYS A 6 9.446 -28.345 5.664 1.00 0.00 H new ATOM 0 HD3 LYS A 6 11.088 -28.049 5.129 1.00 0.00 H new ATOM 0 HE2 LYS A 6 10.256 -25.957 6.058 1.00 0.00 H new ATOM 0 HE3 LYS A 6 10.346 -25.745 4.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 8.187 -25.252 4.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 7.846 -26.851 4.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 8.060 -25.657 6.007 1.00 0.00 H new ATOM 90 N ASP A 7 9.038 -32.301 1.346 1.00 0.00 N ATOM 91 CA ASP A 7 9.188 -33.773 1.172 1.00 0.00 C ATOM 92 C ASP A 7 9.550 -34.086 -0.281 1.00 0.00 C ATOM 93 O ASP A 7 10.012 -35.164 -0.596 1.00 0.00 O ATOM 94 CB ASP A 7 7.873 -34.465 1.533 1.00 0.00 C ATOM 95 CG ASP A 7 7.548 -34.205 3.006 1.00 0.00 C ATOM 96 OD1 ASP A 7 8.454 -33.838 3.736 1.00 0.00 O ATOM 97 OD2 ASP A 7 6.399 -34.376 3.378 1.00 0.00 O ATOM 0 H ASP A 7 8.101 -31.937 1.172 1.00 0.00 H new ATOM 0 HA ASP A 7 9.981 -34.136 1.826 1.00 0.00 H new ATOM 0 HB2 ASP A 7 7.068 -34.092 0.900 1.00 0.00 H new ATOM 0 HB3 ASP A 7 7.951 -35.537 1.350 1.00 0.00 H new ATOM 102 N TYR A 8 9.348 -33.152 -1.171 1.00 0.00 N ATOM 103 CA TYR A 8 9.687 -33.405 -2.600 1.00 0.00 C ATOM 104 C TYR A 8 10.911 -32.562 -2.985 1.00 0.00 C ATOM 105 O TYR A 8 11.205 -31.561 -2.364 1.00 0.00 O ATOM 106 CB TYR A 8 8.466 -33.060 -3.483 1.00 0.00 C ATOM 107 CG TYR A 8 8.656 -31.740 -4.201 1.00 0.00 C ATOM 108 CD1 TYR A 8 8.426 -30.536 -3.527 1.00 0.00 C ATOM 109 CD2 TYR A 8 9.057 -31.723 -5.542 1.00 0.00 C ATOM 110 CE1 TYR A 8 8.599 -29.317 -4.190 1.00 0.00 C ATOM 111 CE2 TYR A 8 9.230 -30.504 -6.207 1.00 0.00 C ATOM 112 CZ TYR A 8 9.001 -29.300 -5.532 1.00 0.00 C ATOM 113 OH TYR A 8 9.172 -28.097 -6.187 1.00 0.00 O ATOM 0 H TYR A 8 8.964 -32.228 -0.971 1.00 0.00 H new ATOM 0 HA TYR A 8 9.933 -34.456 -2.753 1.00 0.00 H new ATOM 0 HB2 TYR A 8 8.308 -33.853 -4.214 1.00 0.00 H new ATOM 0 HB3 TYR A 8 7.570 -33.013 -2.864 1.00 0.00 H new ATOM 0 HD1 TYR A 8 8.114 -30.548 -2.493 1.00 0.00 H new ATOM 0 HD2 TYR A 8 9.233 -32.652 -6.064 1.00 0.00 H new ATOM 0 HE1 TYR A 8 8.423 -28.388 -3.667 1.00 0.00 H new ATOM 0 HE2 TYR A 8 9.540 -30.493 -7.241 1.00 0.00 H new ATOM 0 HH TYR A 8 8.687 -27.392 -5.709 1.00 0.00 H new ATOM 123 N ARG A 9 11.624 -32.960 -4.002 1.00 0.00 N ATOM 124 CA ARG A 9 12.824 -32.180 -4.418 1.00 0.00 C ATOM 125 C ARG A 9 12.751 -31.889 -5.917 1.00 0.00 C ATOM 126 O ARG A 9 12.340 -32.720 -6.703 1.00 0.00 O ATOM 127 CB ARG A 9 14.087 -32.988 -4.114 1.00 0.00 C ATOM 128 CG ARG A 9 14.337 -32.992 -2.604 1.00 0.00 C ATOM 129 CD ARG A 9 15.701 -33.620 -2.316 1.00 0.00 C ATOM 130 NE ARG A 9 15.767 -34.969 -2.945 1.00 0.00 N ATOM 131 CZ ARG A 9 16.428 -35.930 -2.361 1.00 0.00 C ATOM 132 NH1 ARG A 9 17.703 -35.792 -2.120 1.00 0.00 N ATOM 133 NH2 ARG A 9 15.814 -37.029 -2.018 1.00 0.00 N ATOM 0 H ARG A 9 11.429 -33.790 -4.562 1.00 0.00 H new ATOM 0 HA ARG A 9 12.854 -31.239 -3.869 1.00 0.00 H new ATOM 0 HB2 ARG A 9 13.975 -34.009 -4.478 1.00 0.00 H new ATOM 0 HB3 ARG A 9 14.942 -32.556 -4.634 1.00 0.00 H new ATOM 0 HG2 ARG A 9 14.304 -31.974 -2.216 1.00 0.00 H new ATOM 0 HG3 ARG A 9 13.552 -33.552 -2.096 1.00 0.00 H new ATOM 0 HD2 ARG A 9 16.496 -32.985 -2.707 1.00 0.00 H new ATOM 0 HD3 ARG A 9 15.857 -33.700 -1.240 1.00 0.00 H new ATOM 0 HE ARG A 9 15.295 -35.141 -3.833 1.00 0.00 H new ATOM 0 HH11 ARG A 9 18.183 -34.933 -2.388 1.00 0.00 H new ATOM 0 HH12 ARG A 9 18.220 -36.543 -1.663 1.00 0.00 H new ATOM 0 HH21 ARG A 9 14.817 -37.137 -2.207 1.00 0.00 H new ATOM 0 HH22 ARG A 9 16.331 -37.781 -1.561 1.00 0.00 H new ATOM 147 N VAL A 10 13.147 -30.713 -6.320 1.00 0.00 N ATOM 148 CA VAL A 10 13.099 -30.365 -7.767 1.00 0.00 C ATOM 149 C VAL A 10 14.482 -29.895 -8.226 1.00 0.00 C ATOM 150 O VAL A 10 15.224 -29.291 -7.476 1.00 0.00 O ATOM 151 CB VAL A 10 12.074 -29.251 -7.985 1.00 0.00 C ATOM 152 CG1 VAL A 10 12.524 -27.984 -7.258 1.00 0.00 C ATOM 153 CG2 VAL A 10 11.947 -28.957 -9.478 1.00 0.00 C ATOM 0 H VAL A 10 13.502 -29.978 -5.709 1.00 0.00 H new ATOM 0 HA VAL A 10 12.809 -31.242 -8.346 1.00 0.00 H new ATOM 0 HB VAL A 10 11.109 -29.572 -7.591 1.00 0.00 H new ATOM 0 HG11 VAL A 10 11.790 -27.194 -7.417 1.00 0.00 H new ATOM 0 HG12 VAL A 10 12.612 -28.189 -6.191 1.00 0.00 H new ATOM 0 HG13 VAL A 10 13.491 -27.665 -7.647 1.00 0.00 H new ATOM 0 HG21 VAL A 10 11.216 -28.163 -9.632 1.00 0.00 H new ATOM 0 HG22 VAL A 10 12.914 -28.641 -9.870 1.00 0.00 H new ATOM 0 HG23 VAL A 10 11.620 -29.857 -9.999 1.00 0.00 H new ATOM 163 N LEU A 11 14.836 -30.173 -9.451 1.00 0.00 N ATOM 164 CA LEU A 11 16.173 -29.749 -9.960 1.00 0.00 C ATOM 165 C LEU A 11 15.999 -28.612 -10.970 1.00 0.00 C ATOM 166 O LEU A 11 14.894 -28.240 -11.313 1.00 0.00 O ATOM 167 CB LEU A 11 16.850 -30.938 -10.647 1.00 0.00 C ATOM 168 CG LEU A 11 18.032 -31.413 -9.799 1.00 0.00 C ATOM 169 CD1 LEU A 11 17.511 -32.211 -8.602 1.00 0.00 C ATOM 170 CD2 LEU A 11 18.943 -32.302 -10.648 1.00 0.00 C ATOM 0 H LEU A 11 14.257 -30.676 -10.123 1.00 0.00 H new ATOM 0 HA LEU A 11 16.788 -29.404 -9.129 1.00 0.00 H new ATOM 0 HB2 LEU A 11 16.135 -31.750 -10.780 1.00 0.00 H new ATOM 0 HB3 LEU A 11 17.194 -30.650 -11.640 1.00 0.00 H new ATOM 0 HG LEU A 11 18.595 -30.550 -9.443 1.00 0.00 H new ATOM 0 HD11 LEU A 11 18.352 -32.550 -7.997 1.00 0.00 H new ATOM 0 HD12 LEU A 11 16.861 -31.578 -7.998 1.00 0.00 H new ATOM 0 HD13 LEU A 11 16.948 -33.074 -8.957 1.00 0.00 H new ATOM 0 HD21 LEU A 11 19.785 -32.641 -10.045 1.00 0.00 H new ATOM 0 HD22 LEU A 11 18.380 -33.165 -11.003 1.00 0.00 H new ATOM 0 HD23 LEU A 11 19.313 -31.734 -11.501 1.00 0.00 H new ATOM 182 N PRO A 12 17.119 -28.051 -11.458 1.00 0.00 N ATOM 183 CA PRO A 12 17.095 -26.954 -12.436 1.00 0.00 C ATOM 184 C PRO A 12 16.548 -27.415 -13.789 1.00 0.00 C ATOM 185 O PRO A 12 16.056 -26.626 -14.572 1.00 0.00 O ATOM 186 CB PRO A 12 18.567 -26.563 -12.569 1.00 0.00 C ATOM 187 CG PRO A 12 19.315 -27.791 -12.177 1.00 0.00 C ATOM 188 CD PRO A 12 18.494 -28.440 -11.099 1.00 0.00 C ATOM 0 HA PRO A 12 16.451 -26.134 -12.119 1.00 0.00 H new ATOM 0 HB2 PRO A 12 18.807 -26.260 -13.588 1.00 0.00 H new ATOM 0 HB3 PRO A 12 18.815 -25.723 -11.920 1.00 0.00 H new ATOM 0 HG2 PRO A 12 19.443 -28.460 -13.028 1.00 0.00 H new ATOM 0 HG3 PRO A 12 20.312 -27.543 -11.814 1.00 0.00 H new ATOM 0 HD2 PRO A 12 18.619 -29.523 -11.092 1.00 0.00 H new ATOM 0 HD3 PRO A 12 18.771 -28.080 -10.108 1.00 0.00 H new ATOM 196 N ARG A 13 16.624 -28.687 -14.068 1.00 0.00 N ATOM 197 CA ARG A 13 16.102 -29.198 -15.365 1.00 0.00 C ATOM 198 C ARG A 13 14.624 -29.555 -15.205 1.00 0.00 C ATOM 199 O ARG A 13 13.847 -29.460 -16.134 1.00 0.00 O ATOM 200 CB ARG A 13 16.887 -30.446 -15.779 1.00 0.00 C ATOM 201 CG ARG A 13 18.323 -30.055 -16.132 1.00 0.00 C ATOM 202 CD ARG A 13 19.050 -31.261 -16.731 1.00 0.00 C ATOM 203 NE ARG A 13 20.517 -30.999 -16.752 1.00 0.00 N ATOM 204 CZ ARG A 13 21.334 -31.803 -16.128 1.00 0.00 C ATOM 205 NH1 ARG A 13 22.089 -31.348 -15.167 1.00 0.00 N ATOM 206 NH2 ARG A 13 21.396 -33.062 -16.468 1.00 0.00 N ATOM 0 H ARG A 13 17.026 -29.395 -13.453 1.00 0.00 H new ATOM 0 HA ARG A 13 16.214 -28.432 -16.132 1.00 0.00 H new ATOM 0 HB2 ARG A 13 16.887 -31.174 -14.968 1.00 0.00 H new ATOM 0 HB3 ARG A 13 16.408 -30.922 -16.635 1.00 0.00 H new ATOM 0 HG2 ARG A 13 18.321 -29.229 -16.843 1.00 0.00 H new ATOM 0 HG3 ARG A 13 18.846 -29.708 -15.241 1.00 0.00 H new ATOM 0 HD2 ARG A 13 18.838 -32.155 -16.144 1.00 0.00 H new ATOM 0 HD3 ARG A 13 18.689 -31.451 -17.742 1.00 0.00 H new ATOM 0 HE ARG A 13 20.883 -30.190 -17.255 1.00 0.00 H new ATOM 0 HH11 ARG A 13 22.041 -30.364 -14.903 1.00 0.00 H new ATOM 0 HH12 ARG A 13 22.728 -31.976 -14.679 1.00 0.00 H new ATOM 0 HH21 ARG A 13 20.806 -33.417 -17.221 1.00 0.00 H new ATOM 0 HH22 ARG A 13 22.034 -33.691 -15.981 1.00 0.00 H new ATOM 220 N ILE A 14 14.231 -29.962 -14.030 1.00 0.00 N ATOM 221 CA ILE A 14 12.802 -30.323 -13.803 1.00 0.00 C ATOM 222 C ILE A 14 12.012 -29.062 -13.448 1.00 0.00 C ATOM 223 O ILE A 14 10.893 -28.876 -13.883 1.00 0.00 O ATOM 224 CB ILE A 14 12.708 -31.326 -12.651 1.00 0.00 C ATOM 225 CG1 ILE A 14 13.456 -32.607 -13.027 1.00 0.00 C ATOM 226 CG2 ILE A 14 11.239 -31.655 -12.378 1.00 0.00 C ATOM 227 CD1 ILE A 14 12.978 -33.091 -14.398 1.00 0.00 C ATOM 0 H ILE A 14 14.838 -30.061 -13.216 1.00 0.00 H new ATOM 0 HA ILE A 14 12.389 -30.769 -14.707 1.00 0.00 H new ATOM 0 HB ILE A 14 13.155 -30.893 -11.756 1.00 0.00 H new ATOM 0 HG12 ILE A 14 14.530 -32.421 -13.049 1.00 0.00 H new ATOM 0 HG13 ILE A 14 13.281 -33.377 -12.276 1.00 0.00 H new ATOM 0 HG21 ILE A 14 11.173 -32.369 -11.557 1.00 0.00 H new ATOM 0 HG22 ILE A 14 10.706 -30.743 -12.109 1.00 0.00 H new ATOM 0 HG23 ILE A 14 10.791 -32.087 -13.273 1.00 0.00 H new ATOM 0 HD11 ILE A 14 13.510 -34.003 -14.667 1.00 0.00 H new ATOM 0 HD12 ILE A 14 11.908 -33.293 -14.360 1.00 0.00 H new ATOM 0 HD13 ILE A 14 13.176 -32.322 -15.145 1.00 0.00 H new ATOM 239 N GLY A 15 12.587 -28.194 -12.661 1.00 0.00 N ATOM 240 CA GLY A 15 11.873 -26.942 -12.279 1.00 0.00 C ATOM 241 C GLY A 15 10.702 -27.283 -11.357 1.00 0.00 C ATOM 242 O GLY A 15 10.064 -28.306 -11.501 1.00 0.00 O ATOM 0 H GLY A 15 13.521 -28.298 -12.266 1.00 0.00 H new ATOM 0 HA2 GLY A 15 12.558 -26.259 -11.777 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.510 -26.431 -13.171 1.00 0.00 H new ATOM 246 N TYR A 16 10.419 -26.433 -10.407 1.00 0.00 N ATOM 247 CA TYR A 16 9.293 -26.703 -9.468 1.00 0.00 C ATOM 248 C TYR A 16 8.096 -27.258 -10.241 1.00 0.00 C ATOM 249 O TYR A 16 7.913 -26.977 -11.410 1.00 0.00 O ATOM 250 CB TYR A 16 8.888 -25.404 -8.771 1.00 0.00 C ATOM 251 CG TYR A 16 8.741 -25.657 -7.290 1.00 0.00 C ATOM 252 CD1 TYR A 16 9.848 -25.527 -6.446 1.00 0.00 C ATOM 253 CD2 TYR A 16 7.496 -26.020 -6.762 1.00 0.00 C ATOM 254 CE1 TYR A 16 9.714 -25.761 -5.073 1.00 0.00 C ATOM 255 CE2 TYR A 16 7.360 -26.254 -5.389 1.00 0.00 C ATOM 256 CZ TYR A 16 8.470 -26.126 -4.544 1.00 0.00 C ATOM 257 OH TYR A 16 8.339 -26.356 -3.189 1.00 0.00 O ATOM 0 H TYR A 16 10.921 -25.561 -10.241 1.00 0.00 H new ATOM 0 HA TYR A 16 9.613 -27.433 -8.725 1.00 0.00 H new ATOM 0 HB2 TYR A 16 9.639 -24.634 -8.947 1.00 0.00 H new ATOM 0 HB3 TYR A 16 7.949 -25.034 -9.183 1.00 0.00 H new ATOM 0 HD1 TYR A 16 10.808 -25.246 -6.854 1.00 0.00 H new ATOM 0 HD2 TYR A 16 6.641 -26.119 -7.414 1.00 0.00 H new ATOM 0 HE1 TYR A 16 10.570 -25.660 -4.422 1.00 0.00 H new ATOM 0 HE2 TYR A 16 6.400 -26.533 -4.981 1.00 0.00 H new ATOM 0 HH TYR A 16 9.121 -25.998 -2.719 1.00 0.00 H new ATOM 267 N LEU A 17 7.278 -28.045 -9.597 1.00 0.00 N ATOM 268 CA LEU A 17 6.092 -28.619 -10.291 1.00 0.00 C ATOM 269 C LEU A 17 4.834 -28.344 -9.465 1.00 0.00 C ATOM 270 O LEU A 17 4.656 -28.882 -8.390 1.00 0.00 O ATOM 271 CB LEU A 17 6.278 -30.129 -10.452 1.00 0.00 C ATOM 272 CG LEU A 17 5.092 -30.708 -11.226 1.00 0.00 C ATOM 273 CD1 LEU A 17 5.239 -30.373 -12.711 1.00 0.00 C ATOM 274 CD2 LEU A 17 5.061 -32.227 -11.047 1.00 0.00 C ATOM 0 H LEU A 17 7.381 -28.315 -8.619 1.00 0.00 H new ATOM 0 HA LEU A 17 5.988 -28.159 -11.274 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.208 -30.338 -10.981 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.354 -30.603 -9.474 1.00 0.00 H new ATOM 0 HG LEU A 17 4.165 -30.277 -10.847 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.394 -30.786 -13.262 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.263 -29.291 -12.839 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.165 -30.804 -13.091 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.217 -32.641 -11.598 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.988 -32.657 -11.427 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.957 -32.467 -9.989 1.00 0.00 H new ATOM 286 N CYS A 18 3.961 -27.511 -9.959 1.00 0.00 N ATOM 287 CA CYS A 18 2.713 -27.200 -9.208 1.00 0.00 C ATOM 288 C CYS A 18 1.506 -27.669 -10.022 1.00 0.00 C ATOM 289 O CYS A 18 1.584 -27.834 -11.223 1.00 0.00 O ATOM 290 CB CYS A 18 2.623 -25.690 -8.981 1.00 0.00 C ATOM 291 SG CYS A 18 4.057 -25.149 -8.020 1.00 0.00 S ATOM 0 H CYS A 18 4.059 -27.031 -10.854 1.00 0.00 H new ATOM 0 HA CYS A 18 2.724 -27.711 -8.245 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.592 -25.167 -9.937 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.702 -25.443 -8.453 1.00 0.00 H new ATOM 296 N PRO A 19 0.370 -27.890 -9.350 1.00 0.00 N ATOM 297 CA PRO A 19 -0.861 -28.344 -10.007 1.00 0.00 C ATOM 298 C PRO A 19 -1.495 -27.238 -10.851 1.00 0.00 C ATOM 299 O PRO A 19 -1.154 -26.078 -10.734 1.00 0.00 O ATOM 300 CB PRO A 19 -1.779 -28.705 -8.842 1.00 0.00 C ATOM 301 CG PRO A 19 -1.284 -27.885 -7.698 1.00 0.00 C ATOM 302 CD PRO A 19 0.197 -27.713 -7.900 1.00 0.00 C ATOM 0 HA PRO A 19 -0.677 -29.172 -10.692 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.819 -28.475 -9.072 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -1.730 -29.770 -8.615 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.786 -26.918 -7.669 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.491 -28.380 -6.749 1.00 0.00 H new ATOM 0 HD2 PRO A 19 0.535 -26.730 -7.573 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.767 -28.450 -7.335 1.00 0.00 H new ATOM 310 N LYS A 20 -2.418 -27.589 -11.703 1.00 0.00 N ATOM 311 CA LYS A 20 -3.074 -26.560 -12.555 1.00 0.00 C ATOM 312 C LYS A 20 -4.261 -25.955 -11.803 1.00 0.00 C ATOM 313 O LYS A 20 -4.819 -24.954 -12.205 1.00 0.00 O ATOM 314 CB LYS A 20 -3.565 -27.207 -13.852 1.00 0.00 C ATOM 315 CG LYS A 20 -2.376 -27.821 -14.596 1.00 0.00 C ATOM 316 CD LYS A 20 -2.859 -28.433 -15.912 1.00 0.00 C ATOM 317 CE LYS A 20 -1.667 -29.024 -16.667 1.00 0.00 C ATOM 318 NZ LYS A 20 -1.910 -30.473 -16.922 1.00 0.00 N ATOM 0 H LYS A 20 -2.746 -28.544 -11.846 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.357 -25.774 -12.792 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.306 -27.975 -13.630 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.056 -26.463 -14.479 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.623 -27.058 -14.792 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -1.903 -28.585 -13.979 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.599 -29.209 -15.715 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.348 -27.673 -16.521 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.522 -28.497 -17.610 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.754 -28.894 -16.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.100 -30.876 -17.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.028 -30.970 -16.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.772 -30.585 -17.493 1.00 0.00 H new ATOM 332 N ASP A 21 -4.649 -26.554 -10.710 1.00 0.00 N ATOM 333 CA ASP A 21 -5.796 -26.010 -9.930 1.00 0.00 C ATOM 334 C ASP A 21 -5.349 -24.750 -9.189 1.00 0.00 C ATOM 335 O ASP A 21 -4.527 -24.803 -8.296 1.00 0.00 O ATOM 336 CB ASP A 21 -6.264 -27.055 -8.917 1.00 0.00 C ATOM 337 CG ASP A 21 -7.622 -26.641 -8.347 1.00 0.00 C ATOM 338 OD1 ASP A 21 -8.143 -25.629 -8.786 1.00 0.00 O ATOM 339 OD2 ASP A 21 -8.118 -27.342 -7.480 1.00 0.00 O ATOM 0 H ASP A 21 -4.221 -27.396 -10.324 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.616 -25.767 -10.606 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.341 -28.032 -9.395 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.534 -27.150 -8.113 1.00 0.00 H new ATOM 344 N LEU A 22 -5.880 -23.614 -9.552 1.00 0.00 N ATOM 345 CA LEU A 22 -5.479 -22.356 -8.864 1.00 0.00 C ATOM 346 C LEU A 22 -6.228 -22.238 -7.535 1.00 0.00 C ATOM 347 O LEU A 22 -7.442 -22.259 -7.491 1.00 0.00 O ATOM 348 CB LEU A 22 -5.820 -21.156 -9.752 1.00 0.00 C ATOM 349 CG LEU A 22 -5.428 -19.863 -9.033 1.00 0.00 C ATOM 350 CD1 LEU A 22 -3.934 -19.891 -8.705 1.00 0.00 C ATOM 351 CD2 LEU A 22 -5.728 -18.665 -9.934 1.00 0.00 C ATOM 0 H LEU A 22 -6.572 -23.504 -10.293 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.406 -22.373 -8.674 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.291 -21.231 -10.702 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.886 -21.150 -9.980 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.001 -19.776 -8.110 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.657 -18.970 -8.193 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.719 -20.743 -8.060 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.361 -19.980 -9.628 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.448 -17.745 -9.421 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.157 -18.753 -10.858 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.793 -18.642 -10.166 1.00 0.00 H new ATOM 363 N LYS A 23 -5.512 -22.113 -6.450 1.00 0.00 N ATOM 364 CA LYS A 23 -6.184 -21.994 -5.124 1.00 0.00 C ATOM 365 C LYS A 23 -5.431 -20.978 -4.262 1.00 0.00 C ATOM 366 O LYS A 23 -4.329 -21.227 -3.815 1.00 0.00 O ATOM 367 CB LYS A 23 -6.185 -23.357 -4.426 1.00 0.00 C ATOM 368 CG LYS A 23 -7.230 -24.263 -5.078 1.00 0.00 C ATOM 369 CD LYS A 23 -8.503 -24.264 -4.229 1.00 0.00 C ATOM 370 CE LYS A 23 -9.232 -25.597 -4.408 1.00 0.00 C ATOM 371 NZ LYS A 23 -9.511 -25.818 -5.855 1.00 0.00 N ATOM 0 H LYS A 23 -4.493 -22.088 -6.424 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.212 -21.660 -5.266 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.198 -23.814 -4.496 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.405 -23.234 -3.366 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.452 -23.913 -6.086 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.841 -25.277 -5.171 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.253 -24.112 -3.179 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.152 -23.440 -4.525 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -8.624 -26.412 -4.015 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -10.164 -25.593 -3.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -10.478 -26.182 -5.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -9.416 -24.918 -6.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -8.834 -26.508 -6.238 1.00 0.00 H new ATOM 385 N PRO A 24 -6.047 -19.809 -4.026 1.00 0.00 N ATOM 386 CA PRO A 24 -5.449 -18.737 -3.218 1.00 0.00 C ATOM 387 C PRO A 24 -5.289 -19.144 -1.751 1.00 0.00 C ATOM 388 O PRO A 24 -6.248 -19.465 -1.079 1.00 0.00 O ATOM 389 CB PRO A 24 -6.457 -17.592 -3.345 1.00 0.00 C ATOM 390 CG PRO A 24 -7.746 -18.267 -3.665 1.00 0.00 C ATOM 391 CD PRO A 24 -7.384 -19.444 -4.525 1.00 0.00 C ATOM 0 HA PRO A 24 -4.446 -18.479 -3.558 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.527 -17.020 -2.420 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -6.168 -16.894 -4.131 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.256 -18.588 -2.757 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.422 -17.592 -4.189 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.096 -20.262 -4.413 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -7.364 -19.182 -5.583 1.00 0.00 H new ATOM 399 N VAL A 25 -4.082 -19.141 -1.251 1.00 0.00 N ATOM 400 CA VAL A 25 -3.869 -19.533 0.173 1.00 0.00 C ATOM 401 C VAL A 25 -3.308 -18.347 0.959 1.00 0.00 C ATOM 402 O VAL A 25 -2.709 -17.447 0.407 1.00 0.00 O ATOM 403 CB VAL A 25 -2.874 -20.694 0.242 1.00 0.00 C ATOM 404 CG1 VAL A 25 -3.329 -21.818 -0.690 1.00 0.00 C ATOM 405 CG2 VAL A 25 -1.488 -20.206 -0.187 1.00 0.00 C ATOM 0 H VAL A 25 -3.238 -18.885 -1.764 1.00 0.00 H new ATOM 0 HA VAL A 25 -4.823 -19.838 0.604 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.828 -21.069 1.265 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.619 -22.643 -0.639 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.315 -22.168 -0.384 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.378 -21.445 -1.713 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.780 -21.033 -0.138 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.535 -19.829 -1.209 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.161 -19.408 0.479 1.00 0.00 H new ATOM 415 N CYS A 26 -3.497 -18.345 2.252 1.00 0.00 N ATOM 416 CA CYS A 26 -2.973 -17.223 3.081 1.00 0.00 C ATOM 417 C CYS A 26 -1.647 -17.641 3.721 1.00 0.00 C ATOM 418 O CYS A 26 -1.584 -18.594 4.470 1.00 0.00 O ATOM 419 CB CYS A 26 -3.982 -16.883 4.180 1.00 0.00 C ATOM 420 SG CYS A 26 -3.329 -15.540 5.203 1.00 0.00 S ATOM 0 H CYS A 26 -3.992 -19.072 2.769 1.00 0.00 H new ATOM 0 HA CYS A 26 -2.816 -16.348 2.450 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -4.933 -16.588 3.737 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -4.176 -17.762 4.795 1.00 0.00 H new ATOM 425 N GLY A 27 -0.587 -16.937 3.433 1.00 0.00 N ATOM 426 CA GLY A 27 0.731 -17.298 4.026 1.00 0.00 C ATOM 427 C GLY A 27 0.743 -16.926 5.511 1.00 0.00 C ATOM 428 O GLY A 27 0.283 -15.870 5.898 1.00 0.00 O ATOM 0 H GLY A 27 -0.577 -16.127 2.813 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.915 -18.366 3.906 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.532 -16.776 3.503 1.00 0.00 H new ATOM 432 N ASP A 28 1.268 -17.784 6.343 1.00 0.00 N ATOM 433 CA ASP A 28 1.309 -17.476 7.801 1.00 0.00 C ATOM 434 C ASP A 28 2.282 -16.322 8.053 1.00 0.00 C ATOM 435 O ASP A 28 2.379 -15.809 9.150 1.00 0.00 O ATOM 436 CB ASP A 28 1.780 -18.711 8.572 1.00 0.00 C ATOM 437 CG ASP A 28 0.570 -19.444 9.153 1.00 0.00 C ATOM 438 OD1 ASP A 28 0.098 -19.032 10.201 1.00 0.00 O ATOM 439 OD2 ASP A 28 0.136 -20.405 8.541 1.00 0.00 O ATOM 0 H ASP A 28 1.670 -18.683 6.077 1.00 0.00 H new ATOM 0 HA ASP A 28 0.312 -17.193 8.138 1.00 0.00 H new ATOM 0 HB2 ASP A 28 2.337 -19.375 7.911 1.00 0.00 H new ATOM 0 HB3 ASP A 28 2.458 -18.416 9.373 1.00 0.00 H new ATOM 444 N ASP A 29 3.005 -15.912 7.048 1.00 0.00 N ATOM 445 CA ASP A 29 3.970 -14.792 7.234 1.00 0.00 C ATOM 446 C ASP A 29 3.266 -13.462 6.966 1.00 0.00 C ATOM 447 O ASP A 29 3.893 -12.428 6.847 1.00 0.00 O ATOM 448 CB ASP A 29 5.136 -14.958 6.258 1.00 0.00 C ATOM 449 CG ASP A 29 6.033 -16.105 6.728 1.00 0.00 C ATOM 450 OD1 ASP A 29 5.812 -16.594 7.822 1.00 0.00 O ATOM 451 OD2 ASP A 29 6.927 -16.474 5.984 1.00 0.00 O ATOM 0 H ASP A 29 2.970 -16.303 6.107 1.00 0.00 H new ATOM 0 HA ASP A 29 4.347 -14.803 8.257 1.00 0.00 H new ATOM 0 HB2 ASP A 29 4.759 -15.163 5.256 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.710 -14.033 6.199 1.00 0.00 H new ATOM 456 N GLY A 30 1.965 -13.479 6.868 1.00 0.00 N ATOM 457 CA GLY A 30 1.221 -12.216 6.606 1.00 0.00 C ATOM 458 C GLY A 30 1.143 -11.978 5.097 1.00 0.00 C ATOM 459 O GLY A 30 0.752 -10.920 4.644 1.00 0.00 O ATOM 0 H GLY A 30 1.385 -14.313 6.958 1.00 0.00 H new ATOM 0 HA2 GLY A 30 0.218 -12.277 7.028 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.721 -11.378 7.092 1.00 0.00 H new ATOM 463 N GLN A 31 1.512 -12.955 4.313 1.00 0.00 N ATOM 464 CA GLN A 31 1.460 -12.786 2.834 1.00 0.00 C ATOM 465 C GLN A 31 0.447 -13.768 2.243 1.00 0.00 C ATOM 466 O GLN A 31 -0.095 -14.607 2.934 1.00 0.00 O ATOM 467 CB GLN A 31 2.842 -13.062 2.239 1.00 0.00 C ATOM 468 CG GLN A 31 3.782 -11.898 2.562 1.00 0.00 C ATOM 469 CD GLN A 31 5.228 -12.323 2.299 1.00 0.00 C ATOM 470 OE1 GLN A 31 5.489 -13.467 1.985 1.00 0.00 O ATOM 471 NE2 GLN A 31 6.186 -11.444 2.415 1.00 0.00 N ATOM 0 H GLN A 31 1.847 -13.863 4.634 1.00 0.00 H new ATOM 0 HA GLN A 31 1.159 -11.766 2.597 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.244 -13.991 2.644 1.00 0.00 H new ATOM 0 HB3 GLN A 31 2.765 -13.192 1.159 1.00 0.00 H new ATOM 0 HG2 GLN A 31 3.529 -11.032 1.950 1.00 0.00 H new ATOM 0 HG3 GLN A 31 3.663 -11.599 3.603 1.00 0.00 H new ATOM 0 HE21 GLN A 31 5.967 -10.483 2.679 1.00 0.00 H new ATOM 0 HE22 GLN A 31 7.153 -11.718 2.242 1.00 0.00 H new ATOM 480 N THR A 32 0.188 -13.670 0.967 1.00 0.00 N ATOM 481 CA THR A 32 -0.788 -14.599 0.329 1.00 0.00 C ATOM 482 C THR A 32 -0.199 -15.133 -0.977 1.00 0.00 C ATOM 483 O THR A 32 0.442 -14.416 -1.719 1.00 0.00 O ATOM 484 CB THR A 32 -2.088 -13.847 0.033 1.00 0.00 C ATOM 485 OG1 THR A 32 -2.572 -13.252 1.230 1.00 0.00 O ATOM 486 CG2 THR A 32 -3.131 -14.823 -0.511 1.00 0.00 C ATOM 0 H THR A 32 0.610 -12.986 0.339 1.00 0.00 H new ATOM 0 HA THR A 32 -0.995 -15.431 1.002 1.00 0.00 H new ATOM 0 HB THR A 32 -1.899 -13.071 -0.708 1.00 0.00 H new ATOM 0 HG1 THR A 32 -2.228 -13.746 2.003 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.056 -14.287 -0.721 1.00 0.00 H new ATOM 0 HG22 THR A 32 -2.759 -15.279 -1.429 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.322 -15.600 0.229 1.00 0.00 H new ATOM 494 N TYR A 33 -0.406 -16.389 -1.261 1.00 0.00 N ATOM 495 CA TYR A 33 0.148 -16.968 -2.517 1.00 0.00 C ATOM 496 C TYR A 33 -1.000 -17.466 -3.399 1.00 0.00 C ATOM 497 O TYR A 33 -1.806 -18.276 -2.988 1.00 0.00 O ATOM 498 CB TYR A 33 1.076 -18.133 -2.169 1.00 0.00 C ATOM 499 CG TYR A 33 2.157 -17.646 -1.233 1.00 0.00 C ATOM 500 CD1 TYR A 33 1.852 -17.371 0.106 1.00 0.00 C ATOM 501 CD2 TYR A 33 3.463 -17.463 -1.705 1.00 0.00 C ATOM 502 CE1 TYR A 33 2.853 -16.916 0.972 1.00 0.00 C ATOM 503 CE2 TYR A 33 4.464 -17.008 -0.836 1.00 0.00 C ATOM 504 CZ TYR A 33 4.157 -16.734 0.501 1.00 0.00 C ATOM 505 OH TYR A 33 5.145 -16.286 1.356 1.00 0.00 O ATOM 0 H TYR A 33 -0.934 -17.039 -0.679 1.00 0.00 H new ATOM 0 HA TYR A 33 0.710 -16.206 -3.057 1.00 0.00 H new ATOM 0 HB2 TYR A 33 0.509 -18.938 -1.701 1.00 0.00 H new ATOM 0 HB3 TYR A 33 1.521 -18.542 -3.076 1.00 0.00 H new ATOM 0 HD1 TYR A 33 0.845 -17.510 0.470 1.00 0.00 H new ATOM 0 HD2 TYR A 33 3.698 -17.672 -2.738 1.00 0.00 H new ATOM 0 HE1 TYR A 33 2.618 -16.705 2.005 1.00 0.00 H new ATOM 0 HE2 TYR A 33 5.472 -16.869 -1.198 1.00 0.00 H new ATOM 0 HH TYR A 33 5.103 -15.309 1.421 1.00 0.00 H new ATOM 515 N ASN A 34 -1.082 -16.981 -4.608 1.00 0.00 N ATOM 516 CA ASN A 34 -2.179 -17.418 -5.516 1.00 0.00 C ATOM 517 C ASN A 34 -2.318 -18.943 -5.463 1.00 0.00 C ATOM 518 O ASN A 34 -3.175 -19.470 -4.788 1.00 0.00 O ATOM 519 CB ASN A 34 -1.867 -16.964 -6.946 1.00 0.00 C ATOM 520 CG ASN A 34 -3.100 -17.166 -7.828 1.00 0.00 C ATOM 521 OD1 ASN A 34 -4.106 -17.681 -7.381 1.00 0.00 O ATOM 522 ND2 ASN A 34 -3.065 -16.778 -9.075 1.00 0.00 N ATOM 0 H ASN A 34 -0.435 -16.300 -5.006 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.119 -16.969 -5.196 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -1.573 -15.914 -6.949 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -1.026 -17.532 -7.343 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -3.882 -16.907 -9.672 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -2.221 -16.346 -9.451 1.00 0.00 H new ATOM 529 N ASN A 35 -1.485 -19.658 -6.162 1.00 0.00 N ATOM 530 CA ASN A 35 -1.583 -21.145 -6.140 1.00 0.00 C ATOM 531 C ASN A 35 -0.900 -21.680 -4.877 1.00 0.00 C ATOM 532 O ASN A 35 0.059 -21.112 -4.397 1.00 0.00 O ATOM 533 CB ASN A 35 -0.902 -21.714 -7.388 1.00 0.00 C ATOM 534 CG ASN A 35 -0.701 -23.224 -7.243 1.00 0.00 C ATOM 535 OD1 ASN A 35 0.053 -23.671 -6.403 1.00 0.00 O ATOM 536 ND2 ASN A 35 -1.352 -24.035 -8.035 1.00 0.00 N ATOM 0 H ASN A 35 -0.741 -19.280 -6.748 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.630 -21.448 -6.134 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -1.509 -21.504 -8.269 1.00 0.00 H new ATOM 0 HB3 ASN A 35 0.060 -21.225 -7.540 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -1.227 -25.043 -7.947 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -1.985 -23.659 -8.741 1.00 0.00 H new ATOM 543 N PRO A 36 -1.411 -22.795 -4.330 1.00 0.00 N ATOM 544 CA PRO A 36 -0.854 -23.412 -3.117 1.00 0.00 C ATOM 545 C PRO A 36 0.588 -23.880 -3.328 1.00 0.00 C ATOM 546 O PRO A 36 1.477 -23.516 -2.584 1.00 0.00 O ATOM 547 CB PRO A 36 -1.783 -24.603 -2.865 1.00 0.00 C ATOM 548 CG PRO A 36 -2.367 -24.896 -4.204 1.00 0.00 C ATOM 549 CD PRO A 36 -2.563 -23.553 -4.845 1.00 0.00 C ATOM 0 HA PRO A 36 -0.809 -22.716 -2.280 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -1.236 -25.460 -2.472 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -2.557 -24.358 -2.137 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -1.701 -25.523 -4.797 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -3.312 -25.432 -4.114 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -2.556 -23.616 -5.933 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -3.511 -23.099 -4.558 1.00 0.00 H new ATOM 557 N CYS A 37 0.838 -24.663 -4.341 1.00 0.00 N ATOM 558 CA CYS A 37 2.234 -25.116 -4.582 1.00 0.00 C ATOM 559 C CYS A 37 3.089 -23.883 -4.875 1.00 0.00 C ATOM 560 O CYS A 37 4.274 -23.855 -4.604 1.00 0.00 O ATOM 561 CB CYS A 37 2.266 -26.074 -5.777 1.00 0.00 C ATOM 562 SG CYS A 37 3.971 -26.281 -6.352 1.00 0.00 S ATOM 0 H CYS A 37 0.143 -25.005 -5.005 1.00 0.00 H new ATOM 0 HA CYS A 37 2.621 -25.640 -3.708 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.849 -27.040 -5.492 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.645 -25.684 -6.584 1.00 0.00 H new ATOM 567 N MET A 38 2.489 -22.857 -5.413 1.00 0.00 N ATOM 568 CA MET A 38 3.254 -21.616 -5.710 1.00 0.00 C ATOM 569 C MET A 38 3.769 -21.033 -4.396 1.00 0.00 C ATOM 570 O MET A 38 4.665 -20.213 -4.371 1.00 0.00 O ATOM 571 CB MET A 38 2.334 -20.606 -6.399 1.00 0.00 C ATOM 572 CG MET A 38 2.373 -20.829 -7.912 1.00 0.00 C ATOM 573 SD MET A 38 4.055 -20.554 -8.518 1.00 0.00 S ATOM 574 CE MET A 38 4.079 -18.757 -8.309 1.00 0.00 C ATOM 0 H MET A 38 1.500 -22.826 -5.660 1.00 0.00 H new ATOM 0 HA MET A 38 4.094 -21.840 -6.368 1.00 0.00 H new ATOM 0 HB2 MET A 38 1.314 -20.717 -6.031 1.00 0.00 H new ATOM 0 HB3 MET A 38 2.650 -19.590 -6.162 1.00 0.00 H new ATOM 0 HG2 MET A 38 2.051 -21.843 -8.149 1.00 0.00 H new ATOM 0 HG3 MET A 38 1.680 -20.150 -8.409 1.00 0.00 H new ATOM 0 HE1 MET A 38 4.602 -18.300 -9.149 1.00 0.00 H new ATOM 0 HE2 MET A 38 3.056 -18.381 -8.271 1.00 0.00 H new ATOM 0 HE3 MET A 38 4.593 -18.505 -7.381 1.00 0.00 H new ATOM 584 N LEU A 39 3.209 -21.464 -3.298 1.00 0.00 N ATOM 585 CA LEU A 39 3.658 -20.957 -1.973 1.00 0.00 C ATOM 586 C LEU A 39 5.083 -21.434 -1.719 1.00 0.00 C ATOM 587 O LEU A 39 5.960 -20.656 -1.399 1.00 0.00 O ATOM 588 CB LEU A 39 2.724 -21.496 -0.889 1.00 0.00 C ATOM 589 CG LEU A 39 3.324 -21.227 0.491 1.00 0.00 C ATOM 590 CD1 LEU A 39 3.291 -19.725 0.780 1.00 0.00 C ATOM 591 CD2 LEU A 39 2.510 -21.969 1.552 1.00 0.00 C ATOM 0 H LEU A 39 2.455 -22.150 -3.264 1.00 0.00 H new ATOM 0 HA LEU A 39 3.634 -19.867 -1.957 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.746 -21.021 -0.969 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.571 -22.566 -1.027 1.00 0.00 H new ATOM 0 HG LEU A 39 4.356 -21.577 0.513 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.719 -19.534 1.764 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.871 -19.196 0.024 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.260 -19.373 0.759 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.936 -21.778 2.537 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.478 -21.619 1.529 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.535 -23.039 1.347 1.00 0.00 H new ATOM 603 N CYS A 40 5.333 -22.703 -1.875 1.00 0.00 N ATOM 604 CA CYS A 40 6.714 -23.205 -1.659 1.00 0.00 C ATOM 605 C CYS A 40 7.605 -22.646 -2.767 1.00 0.00 C ATOM 606 O CYS A 40 8.812 -22.589 -2.644 1.00 0.00 O ATOM 607 CB CYS A 40 6.732 -24.733 -1.694 1.00 0.00 C ATOM 608 SG CYS A 40 5.249 -25.384 -0.883 1.00 0.00 S ATOM 0 H CYS A 40 4.646 -23.408 -2.141 1.00 0.00 H new ATOM 0 HA CYS A 40 7.079 -22.882 -0.684 1.00 0.00 H new ATOM 0 HB2 CYS A 40 6.776 -25.082 -2.726 1.00 0.00 H new ATOM 0 HB3 CYS A 40 7.625 -25.107 -1.193 1.00 0.00 H new ATOM 613 N HIS A 41 7.007 -22.214 -3.847 1.00 0.00 N ATOM 614 CA HIS A 41 7.803 -21.637 -4.964 1.00 0.00 C ATOM 615 C HIS A 41 8.295 -20.251 -4.554 1.00 0.00 C ATOM 616 O HIS A 41 9.478 -19.972 -4.575 1.00 0.00 O ATOM 617 CB HIS A 41 6.919 -21.515 -6.205 1.00 0.00 C ATOM 618 CG HIS A 41 7.785 -21.416 -7.432 1.00 0.00 C ATOM 619 ND1 HIS A 41 8.589 -22.461 -7.855 1.00 0.00 N ATOM 620 CD2 HIS A 41 7.980 -20.402 -8.336 1.00 0.00 C ATOM 621 CE1 HIS A 41 9.226 -22.057 -8.970 1.00 0.00 C ATOM 622 NE2 HIS A 41 8.891 -20.809 -9.307 1.00 0.00 N ATOM 0 H HIS A 41 5.999 -22.237 -4.001 1.00 0.00 H new ATOM 0 HA HIS A 41 8.653 -22.282 -5.187 1.00 0.00 H new ATOM 0 HB2 HIS A 41 6.260 -22.380 -6.281 1.00 0.00 H new ATOM 0 HB3 HIS A 41 6.282 -20.634 -6.125 1.00 0.00 H new ATOM 0 HD1 HIS A 41 8.682 -23.371 -7.404 1.00 0.00 H new ATOM 0 HD2 HIS A 41 7.500 -19.435 -8.300 1.00 0.00 H new ATOM 0 HE1 HIS A 41 9.923 -22.668 -9.524 1.00 0.00 H new ATOM 630 N GLU A 42 7.401 -19.383 -4.162 1.00 0.00 N ATOM 631 CA GLU A 42 7.835 -18.028 -3.733 1.00 0.00 C ATOM 632 C GLU A 42 8.716 -18.177 -2.494 1.00 0.00 C ATOM 633 O GLU A 42 9.454 -17.281 -2.125 1.00 0.00 O ATOM 634 CB GLU A 42 6.608 -17.175 -3.401 1.00 0.00 C ATOM 635 CG GLU A 42 5.901 -16.774 -4.698 1.00 0.00 C ATOM 636 CD GLU A 42 4.730 -15.843 -4.376 1.00 0.00 C ATOM 637 OE1 GLU A 42 4.591 -15.474 -3.222 1.00 0.00 O ATOM 638 OE2 GLU A 42 3.992 -15.514 -5.291 1.00 0.00 O ATOM 0 H GLU A 42 6.396 -19.554 -4.121 1.00 0.00 H new ATOM 0 HA GLU A 42 8.393 -17.540 -4.532 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.926 -17.733 -2.760 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.909 -16.285 -2.848 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.602 -16.275 -5.367 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.541 -17.662 -5.218 1.00 0.00 H new ATOM 645 N ASN A 43 8.651 -19.314 -1.855 1.00 0.00 N ATOM 646 CA ASN A 43 9.487 -19.541 -0.647 1.00 0.00 C ATOM 647 C ASN A 43 10.920 -19.841 -1.084 1.00 0.00 C ATOM 648 O ASN A 43 11.870 -19.444 -0.441 1.00 0.00 O ATOM 649 CB ASN A 43 8.932 -20.723 0.149 1.00 0.00 C ATOM 650 CG ASN A 43 7.557 -20.356 0.713 1.00 0.00 C ATOM 651 OD1 ASN A 43 7.222 -19.193 0.819 1.00 0.00 O ATOM 652 ND2 ASN A 43 6.742 -21.305 1.083 1.00 0.00 N ATOM 0 H ASN A 43 8.052 -20.096 -2.120 1.00 0.00 H new ATOM 0 HA ASN A 43 9.473 -18.651 -0.017 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.852 -21.601 -0.492 1.00 0.00 H new ATOM 0 HB3 ASN A 43 9.613 -20.981 0.960 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.824 -21.070 1.461 1.00 0.00 H new ATOM 0 HD22 ASN A 43 7.023 -22.282 0.994 1.00 0.00 H new ATOM 659 N LEU A 44 11.088 -20.532 -2.181 1.00 0.00 N ATOM 660 CA LEU A 44 12.464 -20.840 -2.658 1.00 0.00 C ATOM 661 C LEU A 44 13.243 -19.531 -2.774 1.00 0.00 C ATOM 662 O LEU A 44 14.425 -19.468 -2.500 1.00 0.00 O ATOM 663 CB LEU A 44 12.397 -21.514 -4.029 1.00 0.00 C ATOM 664 CG LEU A 44 11.689 -22.863 -3.904 1.00 0.00 C ATOM 665 CD1 LEU A 44 11.852 -23.642 -5.210 1.00 0.00 C ATOM 666 CD2 LEU A 44 12.307 -23.661 -2.753 1.00 0.00 C ATOM 0 H LEU A 44 10.333 -20.894 -2.764 1.00 0.00 H new ATOM 0 HA LEU A 44 12.958 -21.511 -1.955 1.00 0.00 H new ATOM 0 HB2 LEU A 44 11.863 -20.876 -4.733 1.00 0.00 H new ATOM 0 HB3 LEU A 44 13.402 -21.655 -4.425 1.00 0.00 H new ATOM 0 HG LEU A 44 10.630 -22.702 -3.704 1.00 0.00 H new ATOM 0 HD11 LEU A 44 11.348 -24.605 -5.125 1.00 0.00 H new ATOM 0 HD12 LEU A 44 11.412 -23.074 -6.030 1.00 0.00 H new ATOM 0 HD13 LEU A 44 12.912 -23.803 -5.408 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.802 -24.623 -2.664 1.00 0.00 H new ATOM 0 HD22 LEU A 44 13.366 -23.825 -2.951 1.00 0.00 H new ATOM 0 HD23 LEU A 44 12.194 -23.105 -1.823 1.00 0.00 H new ATOM 678 N ILE A 45 12.579 -18.481 -3.174 1.00 0.00 N ATOM 679 CA ILE A 45 13.265 -17.167 -3.306 1.00 0.00 C ATOM 680 C ILE A 45 13.417 -16.541 -1.919 1.00 0.00 C ATOM 681 O ILE A 45 14.489 -16.122 -1.530 1.00 0.00 O ATOM 682 CB ILE A 45 12.431 -16.242 -4.195 1.00 0.00 C ATOM 683 CG1 ILE A 45 11.811 -17.054 -5.336 1.00 0.00 C ATOM 684 CG2 ILE A 45 13.328 -15.149 -4.778 1.00 0.00 C ATOM 685 CD1 ILE A 45 11.220 -16.100 -6.376 1.00 0.00 C ATOM 0 H ILE A 45 11.588 -18.478 -3.415 1.00 0.00 H new ATOM 0 HA ILE A 45 14.248 -17.309 -3.756 1.00 0.00 H new ATOM 0 HB ILE A 45 11.640 -15.785 -3.601 1.00 0.00 H new ATOM 0 HG12 ILE A 45 12.567 -17.689 -5.797 1.00 0.00 H new ATOM 0 HG13 ILE A 45 11.034 -17.713 -4.948 1.00 0.00 H new ATOM 0 HG21 ILE A 45 12.734 -14.490 -5.411 1.00 0.00 H new ATOM 0 HG22 ILE A 45 13.771 -14.571 -3.967 1.00 0.00 H new ATOM 0 HG23 ILE A 45 14.120 -15.606 -5.372 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.778 -16.676 -7.189 1.00 0.00 H new ATOM 0 HD12 ILE A 45 10.452 -15.483 -5.909 1.00 0.00 H new ATOM 0 HD13 ILE A 45 12.008 -15.460 -6.772 1.00 0.00 H new ATOM 697 N ARG A 46 12.351 -16.481 -1.166 1.00 0.00 N ATOM 698 CA ARG A 46 12.438 -15.887 0.197 1.00 0.00 C ATOM 699 C ARG A 46 13.340 -16.761 1.071 1.00 0.00 C ATOM 700 O ARG A 46 13.953 -16.296 2.011 1.00 0.00 O ATOM 701 CB ARG A 46 11.039 -15.821 0.814 1.00 0.00 C ATOM 702 CG ARG A 46 10.158 -14.891 -0.022 1.00 0.00 C ATOM 703 CD ARG A 46 8.788 -14.752 0.644 1.00 0.00 C ATOM 704 NE ARG A 46 7.832 -14.122 -0.310 1.00 0.00 N ATOM 705 CZ ARG A 46 7.672 -12.827 -0.313 1.00 0.00 C ATOM 706 NH1 ARG A 46 8.693 -12.043 -0.529 1.00 0.00 N ATOM 707 NH2 ARG A 46 6.491 -12.316 -0.099 1.00 0.00 N ATOM 0 H ARG A 46 11.427 -16.817 -1.436 1.00 0.00 H new ATOM 0 HA ARG A 46 12.854 -14.881 0.133 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.600 -16.818 0.854 1.00 0.00 H new ATOM 0 HB3 ARG A 46 11.099 -15.458 1.840 1.00 0.00 H new ATOM 0 HG2 ARG A 46 10.630 -13.913 -0.116 1.00 0.00 H new ATOM 0 HG3 ARG A 46 10.045 -15.289 -1.031 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.420 -15.731 0.950 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.870 -14.146 1.546 1.00 0.00 H new ATOM 0 HE ARG A 46 7.303 -14.703 -0.960 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.617 -12.443 -0.696 1.00 0.00 H new ATOM 0 HH12 ARG A 46 8.567 -11.031 -0.531 1.00 0.00 H new ATOM 0 HH21 ARG A 46 5.693 -12.929 0.071 1.00 0.00 H new ATOM 0 HH22 ARG A 46 6.365 -11.304 -0.101 1.00 0.00 H new ATOM 721 N GLN A 47 13.423 -18.026 0.764 1.00 0.00 N ATOM 722 CA GLN A 47 14.283 -18.939 1.568 1.00 0.00 C ATOM 723 C GLN A 47 13.759 -19.005 3.004 1.00 0.00 C ATOM 724 O GLN A 47 14.518 -18.988 3.953 1.00 0.00 O ATOM 725 CB GLN A 47 15.721 -18.417 1.568 1.00 0.00 C ATOM 726 CG GLN A 47 16.270 -18.440 0.140 1.00 0.00 C ATOM 727 CD GLN A 47 17.718 -17.946 0.143 1.00 0.00 C ATOM 728 OE1 GLN A 47 18.166 -17.348 1.102 1.00 0.00 O ATOM 729 NE2 GLN A 47 18.475 -18.173 -0.896 1.00 0.00 N ATOM 0 H GLN A 47 12.930 -18.468 -0.012 1.00 0.00 H new ATOM 0 HA GLN A 47 14.261 -19.937 1.131 1.00 0.00 H new ATOM 0 HB2 GLN A 47 15.751 -17.402 1.965 1.00 0.00 H new ATOM 0 HB3 GLN A 47 16.343 -19.032 2.218 1.00 0.00 H new ATOM 0 HG2 GLN A 47 16.220 -19.451 -0.264 1.00 0.00 H new ATOM 0 HG3 GLN A 47 15.660 -17.808 -0.506 1.00 0.00 H new ATOM 0 HE21 GLN A 47 18.099 -18.675 -1.701 1.00 0.00 H new ATOM 0 HE22 GLN A 47 19.442 -17.849 -0.903 1.00 0.00 H new ATOM 738 N THR A 48 12.467 -19.081 3.171 1.00 0.00 N ATOM 739 CA THR A 48 11.896 -19.150 4.546 1.00 0.00 C ATOM 740 C THR A 48 10.928 -20.332 4.637 1.00 0.00 C ATOM 741 O THR A 48 10.422 -20.811 3.642 1.00 0.00 O ATOM 742 CB THR A 48 11.146 -17.852 4.856 1.00 0.00 C ATOM 743 OG1 THR A 48 9.874 -17.878 4.223 1.00 0.00 O ATOM 744 CG2 THR A 48 11.951 -16.658 4.339 1.00 0.00 C ATOM 0 H THR A 48 11.782 -19.098 2.415 1.00 0.00 H new ATOM 0 HA THR A 48 12.703 -19.283 5.267 1.00 0.00 H new ATOM 0 HB THR A 48 11.014 -17.758 5.934 1.00 0.00 H new ATOM 0 HG1 THR A 48 9.171 -17.938 4.903 1.00 0.00 H new ATOM 0 HG21 THR A 48 11.416 -15.735 4.561 1.00 0.00 H new ATOM 0 HG22 THR A 48 12.926 -16.638 4.826 1.00 0.00 H new ATOM 0 HG23 THR A 48 12.086 -16.749 3.261 1.00 0.00 H new ATOM 752 N ASN A 49 10.667 -20.808 5.825 1.00 0.00 N ATOM 753 CA ASN A 49 9.733 -21.959 5.980 1.00 0.00 C ATOM 754 C ASN A 49 8.300 -21.436 6.099 1.00 0.00 C ATOM 755 O ASN A 49 7.618 -21.682 7.073 1.00 0.00 O ATOM 756 CB ASN A 49 10.097 -22.746 7.241 1.00 0.00 C ATOM 757 CG ASN A 49 11.554 -23.204 7.155 1.00 0.00 C ATOM 758 OD1 ASN A 49 12.100 -23.331 6.076 1.00 0.00 O ATOM 759 ND2 ASN A 49 12.211 -23.459 8.252 1.00 0.00 N ATOM 0 H ASN A 49 11.061 -20.449 6.695 1.00 0.00 H new ATOM 0 HA ASN A 49 9.811 -22.612 5.111 1.00 0.00 H new ATOM 0 HB2 ASN A 49 9.952 -22.125 8.125 1.00 0.00 H new ATOM 0 HB3 ASN A 49 9.439 -23.609 7.346 1.00 0.00 H new ATOM 0 HD21 ASN A 49 13.183 -23.765 8.205 1.00 0.00 H new ATOM 0 HD22 ASN A 49 11.753 -23.352 9.157 1.00 0.00 H new ATOM 766 N THR A 50 7.840 -20.712 5.116 1.00 0.00 N ATOM 767 CA THR A 50 6.454 -20.169 5.173 1.00 0.00 C ATOM 768 C THR A 50 5.447 -21.286 4.899 1.00 0.00 C ATOM 769 O THR A 50 5.593 -22.055 3.969 1.00 0.00 O ATOM 770 CB THR A 50 6.286 -19.075 4.116 1.00 0.00 C ATOM 771 OG1 THR A 50 7.278 -18.076 4.308 1.00 0.00 O ATOM 772 CG2 THR A 50 4.893 -18.449 4.242 1.00 0.00 C ATOM 0 H THR A 50 8.365 -20.473 4.275 1.00 0.00 H new ATOM 0 HA THR A 50 6.277 -19.753 6.165 1.00 0.00 H new ATOM 0 HB THR A 50 6.397 -19.509 3.122 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.856 -17.255 4.637 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.775 -17.670 3.489 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.134 -19.217 4.092 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.778 -18.014 5.235 1.00 0.00 H new ATOM 780 N HIS A 51 4.420 -21.374 5.696 1.00 0.00 N ATOM 781 CA HIS A 51 3.393 -22.431 5.479 1.00 0.00 C ATOM 782 C HIS A 51 2.040 -21.763 5.234 1.00 0.00 C ATOM 783 O HIS A 51 1.909 -20.558 5.329 1.00 0.00 O ATOM 784 CB HIS A 51 3.310 -23.326 6.717 1.00 0.00 C ATOM 785 CG HIS A 51 4.664 -23.916 7.002 1.00 0.00 C ATOM 786 ND1 HIS A 51 5.595 -23.276 7.804 1.00 0.00 N ATOM 787 CD2 HIS A 51 5.258 -25.086 6.600 1.00 0.00 C ATOM 788 CE1 HIS A 51 6.690 -24.056 7.857 1.00 0.00 C ATOM 789 NE2 HIS A 51 6.538 -25.172 7.141 1.00 0.00 N ATOM 0 H HIS A 51 4.247 -20.758 6.490 1.00 0.00 H new ATOM 0 HA HIS A 51 3.664 -23.040 4.617 1.00 0.00 H new ATOM 0 HB2 HIS A 51 2.966 -22.748 7.574 1.00 0.00 H new ATOM 0 HB3 HIS A 51 2.582 -24.121 6.556 1.00 0.00 H new ATOM 0 HD1 HIS A 51 5.473 -22.377 8.270 1.00 0.00 H new ATOM 0 HD2 HIS A 51 4.802 -25.828 5.961 1.00 0.00 H new ATOM 0 HE1 HIS A 51 7.583 -23.809 8.411 1.00 0.00 H new ATOM 797 N ILE A 52 1.031 -22.528 4.921 1.00 0.00 N ATOM 798 CA ILE A 52 -0.305 -21.918 4.674 1.00 0.00 C ATOM 799 C ILE A 52 -0.980 -21.619 6.013 1.00 0.00 C ATOM 800 O ILE A 52 -0.925 -22.403 6.939 1.00 0.00 O ATOM 801 CB ILE A 52 -1.176 -22.884 3.872 1.00 0.00 C ATOM 802 CG1 ILE A 52 -0.470 -23.239 2.560 1.00 0.00 C ATOM 803 CG2 ILE A 52 -2.516 -22.212 3.567 1.00 0.00 C ATOM 804 CD1 ILE A 52 -1.391 -24.110 1.703 1.00 0.00 C ATOM 0 H ILE A 52 1.073 -23.543 4.826 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.180 -20.994 4.110 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.344 -23.794 4.448 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.205 -22.330 2.020 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.460 -23.769 2.767 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.144 -22.895 2.995 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.016 -21.956 4.501 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.345 -21.305 2.987 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.888 -24.362 0.769 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.633 -25.025 2.244 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.309 -23.564 1.485 1.00 0.00 H new ATOM 816 N ARG A 53 -1.614 -20.486 6.120 1.00 0.00 N ATOM 817 CA ARG A 53 -2.290 -20.126 7.398 1.00 0.00 C ATOM 818 C ARG A 53 -3.791 -20.364 7.267 1.00 0.00 C ATOM 819 O ARG A 53 -4.416 -20.956 8.125 1.00 0.00 O ATOM 820 CB ARG A 53 -2.041 -18.650 7.701 1.00 0.00 C ATOM 821 CG ARG A 53 -2.583 -18.322 9.090 1.00 0.00 C ATOM 822 CD ARG A 53 -2.263 -16.867 9.436 1.00 0.00 C ATOM 823 NE ARG A 53 -2.771 -16.558 10.803 1.00 0.00 N ATOM 824 CZ ARG A 53 -1.949 -16.148 11.730 1.00 0.00 C ATOM 825 NH1 ARG A 53 -1.984 -14.907 12.131 1.00 0.00 N ATOM 826 NH2 ARG A 53 -1.092 -16.980 12.256 1.00 0.00 N ATOM 0 H ARG A 53 -1.694 -19.792 5.377 1.00 0.00 H new ATOM 0 HA ARG A 53 -1.892 -20.742 8.205 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -0.974 -18.432 7.654 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.527 -18.026 6.951 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.660 -18.484 9.119 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.140 -18.988 9.831 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.187 -16.699 9.390 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.721 -16.199 8.707 1.00 0.00 H new ATOM 0 HE ARG A 53 -3.763 -16.667 11.014 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -2.654 -14.257 11.720 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -1.341 -14.587 12.856 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -1.065 -17.950 11.943 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -0.449 -16.660 12.981 1.00 0.00 H new ATOM 840 N SER A 54 -4.372 -19.901 6.203 1.00 0.00 N ATOM 841 CA SER A 54 -5.834 -20.089 6.012 1.00 0.00 C ATOM 842 C SER A 54 -6.133 -20.249 4.522 1.00 0.00 C ATOM 843 O SER A 54 -5.587 -19.550 3.691 1.00 0.00 O ATOM 844 CB SER A 54 -6.575 -18.867 6.555 1.00 0.00 C ATOM 845 OG SER A 54 -6.124 -18.589 7.872 1.00 0.00 O ATOM 0 H SER A 54 -3.898 -19.398 5.453 1.00 0.00 H new ATOM 0 HA SER A 54 -6.163 -20.981 6.546 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.401 -18.006 5.910 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.649 -19.051 6.558 1.00 0.00 H new ATOM 0 HG SER A 54 -6.597 -17.805 8.221 1.00 0.00 H new ATOM 851 N THR A 55 -6.991 -21.166 4.175 1.00 0.00 N ATOM 852 CA THR A 55 -7.318 -21.368 2.739 1.00 0.00 C ATOM 853 C THR A 55 -7.916 -20.081 2.170 1.00 0.00 C ATOM 854 O THR A 55 -8.619 -19.358 2.847 1.00 0.00 O ATOM 855 CB THR A 55 -8.326 -22.510 2.600 1.00 0.00 C ATOM 856 OG1 THR A 55 -9.569 -22.114 3.164 1.00 0.00 O ATOM 857 CG2 THR A 55 -7.804 -23.747 3.331 1.00 0.00 C ATOM 0 H THR A 55 -7.479 -21.783 4.824 1.00 0.00 H new ATOM 0 HA THR A 55 -6.411 -21.620 2.190 1.00 0.00 H new ATOM 0 HB THR A 55 -8.464 -22.746 1.545 1.00 0.00 H new ATOM 0 HG1 THR A 55 -10.216 -22.844 3.074 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.524 -24.560 3.231 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.851 -24.051 2.898 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.665 -23.514 4.387 1.00 0.00 H new ATOM 865 N GLY A 56 -7.636 -19.787 0.931 1.00 0.00 N ATOM 866 CA GLY A 56 -8.181 -18.545 0.318 1.00 0.00 C ATOM 867 C GLY A 56 -7.221 -17.388 0.584 1.00 0.00 C ATOM 868 O GLY A 56 -6.353 -17.466 1.431 1.00 0.00 O ATOM 0 H GLY A 56 -7.052 -20.354 0.316 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.314 -18.683 -0.755 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.163 -18.321 0.734 1.00 0.00 H new ATOM 872 N LYS A 57 -7.370 -16.315 -0.135 1.00 0.00 N ATOM 873 CA LYS A 57 -6.469 -15.146 0.070 1.00 0.00 C ATOM 874 C LYS A 57 -6.486 -14.740 1.544 1.00 0.00 C ATOM 875 O LYS A 57 -7.469 -14.918 2.235 1.00 0.00 O ATOM 876 CB LYS A 57 -6.948 -13.974 -0.787 1.00 0.00 C ATOM 877 CG LYS A 57 -6.097 -12.737 -0.484 1.00 0.00 C ATOM 878 CD LYS A 57 -6.615 -11.550 -1.299 1.00 0.00 C ATOM 879 CE LYS A 57 -5.527 -10.477 -1.383 1.00 0.00 C ATOM 880 NZ LYS A 57 -4.665 -10.733 -2.571 1.00 0.00 N ATOM 0 H LYS A 57 -8.078 -16.194 -0.859 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.454 -15.417 -0.221 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -6.874 -14.229 -1.844 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -7.998 -13.765 -0.582 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -6.137 -12.506 0.581 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -5.053 -12.932 -0.728 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -6.896 -11.877 -2.300 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -7.511 -11.139 -0.834 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -5.981 -9.489 -1.457 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -4.924 -10.484 -0.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -3.926 -10.003 -2.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.221 -11.669 -2.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -5.245 -10.705 -3.434 1.00 0.00 H new ATOM 894 N CYS A 58 -5.405 -14.196 2.027 1.00 0.00 N ATOM 895 CA CYS A 58 -5.355 -13.776 3.457 1.00 0.00 C ATOM 896 C CYS A 58 -6.550 -12.873 3.766 1.00 0.00 C ATOM 897 O CYS A 58 -6.986 -12.097 2.938 1.00 0.00 O ATOM 898 CB CYS A 58 -4.057 -13.009 3.719 1.00 0.00 C ATOM 899 SG CYS A 58 -2.681 -14.174 3.864 1.00 0.00 S ATOM 0 H CYS A 58 -4.553 -14.023 1.494 1.00 0.00 H new ATOM 0 HA CYS A 58 -5.391 -14.659 4.095 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -3.868 -12.307 2.907 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -4.148 -12.422 4.633 1.00 0.00 H new ATOM 904 N GLU A 59 -7.085 -12.967 4.952 1.00 0.00 N ATOM 905 CA GLU A 59 -8.250 -12.112 5.314 1.00 0.00 C ATOM 906 C GLU A 59 -7.812 -10.647 5.359 1.00 0.00 C ATOM 907 O GLU A 59 -7.370 -10.213 6.411 1.00 0.00 O ATOM 908 CB GLU A 59 -8.782 -12.529 6.687 1.00 0.00 C ATOM 909 CG GLU A 59 -9.295 -13.969 6.620 1.00 0.00 C ATOM 910 CD GLU A 59 -9.921 -14.351 7.963 1.00 0.00 C ATOM 911 OE1 GLU A 59 -9.793 -13.575 8.895 1.00 0.00 O ATOM 912 OE2 GLU A 59 -10.515 -15.413 8.035 1.00 0.00 O ATOM 913 OXT GLU A 59 -7.925 -9.983 4.342 1.00 0.00 O ATOM 0 H GLU A 59 -6.766 -13.599 5.686 1.00 0.00 H new ATOM 0 HA GLU A 59 -9.036 -12.233 4.569 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -7.993 -12.447 7.435 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -9.585 -11.860 6.996 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.031 -14.067 5.822 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -8.476 -14.647 6.383 1.00 0.00 H new