USER MOD reduce.3.24.130724 H: found=0, std=0, add=934, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 933 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 129 ASN : amide:sc= -0.603 K(o=-3.8,f=-8.9!) USER MOD Set 1.2: A 132 GLN : amide:sc= -3.21! C(o=-3.8!,f=-12!) USER MOD Set 2.1: A 27 THR OG1 : rot -159:sc= -0.0618 USER MOD Set 2.2: A 59 ASN : amide:sc= 0.316 K(o=0.25,f=2.1) USER MOD Set 3.1: A 36 CYS SG : rot -141:sc= 1.47 USER MOD Set 3.2: A 39 CYS SG : rot 180:sc= 0.277 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 130:sc= -0.162 USER MOD Single : A 14 ASN : amide:sc= -0.0333 X(o=-0.033,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -147:sc=-0.00999 (180deg=-0.0476) USER MOD Single : A 34 SER OG : rot 114:sc= 1.21 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -2.96! C(o=-3!,f=-2.9!) USER MOD Single : A 46 THR OG1 : rot 79:sc= 0.617 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -1.09 K(o=-1.1,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot -170:sc= -1.15 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -102:sc= -1.87! USER MOD Single : A 65 SER OG : rot 34:sc= -0.956 USER MOD Single : A 70 HIS : no HD1:sc= -0.452 X(o=-0.45,f=-0.31) USER MOD Single : A 72 LYS NZ :NH3+ 158:sc= -0.194 (180deg=-0.916) USER MOD Single : A 73 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.122) USER MOD Single : A 78 GLN : amide:sc= -4.48 X(o=-4.5,f=-4.4!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.00173) USER MOD Single : A 93 THR OG1 : rot 43:sc= 0.338 USER MOD Single : A 95 ASN : amide:sc= -0.122 X(o=-0.12,f=-0.53) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= -0.194 X(o=-0.19,f=-0.058) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 108 TYR OH : rot 180:sc= -0.233 USER MOD Single : A 110 SER OG : rot 103:sc= 0.635 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 GLN : amide:sc= -0.838 K(o=-0.84,f=-4.2!) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 SER OG : rot 180:sc= -1.15 USER MOD ----------------------------------------------------------------- ATOM 124 N LEU A 9 1.184 -0.327 13.076 1.00 0.00 N ATOM 125 CA LEU A 9 0.976 0.584 11.962 1.00 0.00 C ATOM 126 C LEU A 9 -0.514 0.908 11.846 1.00 0.00 C ATOM 127 O LEU A 9 -1.321 0.032 11.538 1.00 0.00 O ATOM 128 CB LEU A 9 1.584 0.009 10.680 1.00 0.00 C ATOM 129 CG LEU A 9 2.997 0.485 10.335 1.00 0.00 C ATOM 130 CD1 LEU A 9 3.002 1.974 9.984 1.00 0.00 C ATOM 131 CD2 LEU A 9 3.977 0.158 11.463 1.00 0.00 C ATOM 0 HA LEU A 9 1.494 1.527 12.137 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.599 -1.078 10.764 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.926 0.255 9.847 1.00 0.00 H new ATOM 0 HG LEU A 9 3.334 -0.056 9.451 1.00 0.00 H new ATOM 0 HD11 LEU A 9 4.018 2.288 9.743 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.355 2.147 9.124 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.637 2.550 10.835 1.00 0.00 H new ATOM 0 HD21 LEU A 9 4.973 0.507 11.192 1.00 0.00 H new ATOM 0 HD22 LEU A 9 3.656 0.654 12.379 1.00 0.00 H new ATOM 0 HD23 LEU A 9 4.001 -0.920 11.623 1.00 0.00 H new ATOM 143 N LYS A 10 -0.833 2.170 12.094 1.00 0.00 N ATOM 144 CA LYS A 10 -2.212 2.620 12.020 1.00 0.00 C ATOM 145 C LYS A 10 -2.440 3.330 10.684 1.00 0.00 C ATOM 146 O LYS A 10 -1.517 3.923 10.125 1.00 0.00 O ATOM 147 CB LYS A 10 -2.561 3.477 13.239 1.00 0.00 C ATOM 148 CG LYS A 10 -3.264 2.643 14.312 1.00 0.00 C ATOM 149 CD LYS A 10 -2.304 2.294 15.452 1.00 0.00 C ATOM 150 CE LYS A 10 -3.057 1.698 16.641 1.00 0.00 C ATOM 151 NZ LYS A 10 -2.382 2.048 17.911 1.00 0.00 N ATOM 0 H LYS A 10 -0.160 2.894 12.346 1.00 0.00 H new ATOM 0 HA LYS A 10 -2.893 1.770 12.051 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -1.653 3.916 13.652 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.205 4.303 12.935 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.117 3.196 14.706 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -3.655 1.728 13.868 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -1.557 1.584 15.098 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.769 3.189 15.768 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -4.082 2.069 16.653 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.112 0.614 16.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.907 1.635 18.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.412 1.673 17.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.352 3.082 18.015 1.00 0.00 H new ATOM 164 N THR A 11 -3.675 3.248 10.211 1.00 0.00 N ATOM 165 CA THR A 11 -4.037 3.875 8.951 1.00 0.00 C ATOM 166 C THR A 11 -4.485 5.320 9.184 1.00 0.00 C ATOM 167 O THR A 11 -4.585 5.767 10.325 1.00 0.00 O ATOM 168 CB THR A 11 -5.105 3.009 8.281 1.00 0.00 C ATOM 169 OG1 THR A 11 -6.099 2.840 9.288 1.00 0.00 O ATOM 170 CG2 THR A 11 -4.614 1.587 8.000 1.00 0.00 C ATOM 0 H THR A 11 -4.438 2.757 10.678 1.00 0.00 H new ATOM 0 HA THR A 11 -3.180 3.937 8.280 1.00 0.00 H new ATOM 0 HB THR A 11 -5.417 3.477 7.347 1.00 0.00 H new ATOM 0 HG1 THR A 11 -6.980 3.057 8.918 1.00 0.00 H new ATOM 0 HG21 THR A 11 -5.410 1.015 7.524 1.00 0.00 H new ATOM 0 HG22 THR A 11 -3.749 1.625 7.338 1.00 0.00 H new ATOM 0 HG23 THR A 11 -4.333 1.107 8.937 1.00 0.00 H new ATOM 178 N ALA A 12 -4.742 6.011 8.082 1.00 0.00 N ATOM 179 CA ALA A 12 -5.177 7.396 8.151 1.00 0.00 C ATOM 180 C ALA A 12 -6.455 7.483 8.986 1.00 0.00 C ATOM 181 O ALA A 12 -6.793 8.547 9.501 1.00 0.00 O ATOM 182 CB ALA A 12 -5.366 7.943 6.736 1.00 0.00 C ATOM 0 H ALA A 12 -4.657 5.637 7.137 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.422 8.012 8.639 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.692 8.982 6.788 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -4.422 7.886 6.195 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.119 7.352 6.215 1.00 0.00 H new ATOM 188 N ASP A 13 -7.132 6.349 9.094 1.00 0.00 N ATOM 189 CA ASP A 13 -8.367 6.284 9.858 1.00 0.00 C ATOM 190 C ASP A 13 -8.044 5.939 11.312 1.00 0.00 C ATOM 191 O ASP A 13 -8.929 5.551 12.073 1.00 0.00 O ATOM 192 CB ASP A 13 -9.297 5.199 9.309 1.00 0.00 C ATOM 193 CG ASP A 13 -10.638 5.707 8.776 1.00 0.00 C ATOM 194 OD1 ASP A 13 -10.887 6.921 8.725 1.00 0.00 O ATOM 195 OD2 ASP A 13 -11.458 4.786 8.397 1.00 0.00 O ATOM 0 H ASP A 13 -6.849 5.468 8.665 1.00 0.00 H new ATOM 0 HA ASP A 13 -8.861 7.253 9.785 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -8.781 4.671 8.507 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -9.489 4.472 10.098 1.00 0.00 H new ATOM 201 N ASN A 14 -6.773 6.093 11.655 1.00 0.00 N ATOM 202 CA ASN A 14 -6.323 5.802 13.006 1.00 0.00 C ATOM 203 C ASN A 14 -6.771 4.392 13.396 1.00 0.00 C ATOM 204 O ASN A 14 -7.013 4.116 14.571 1.00 0.00 O ATOM 205 CB ASN A 14 -6.927 6.784 14.012 1.00 0.00 C ATOM 206 CG ASN A 14 -5.832 7.497 14.807 1.00 0.00 C ATOM 207 OD1 ASN A 14 -5.743 8.714 14.837 1.00 0.00 O ATOM 208 ND2 ASN A 14 -5.006 6.676 15.447 1.00 0.00 N ATOM 0 H ASN A 14 -6.041 6.415 11.021 1.00 0.00 H new ATOM 0 HA ASN A 14 -5.237 5.889 13.025 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -7.537 7.519 13.487 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -7.588 6.250 14.695 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -4.241 7.055 16.005 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -5.137 5.667 15.380 1.00 0.00 H new ATOM 215 N ARG A 15 -6.866 3.536 12.390 1.00 0.00 N ATOM 216 CA ARG A 15 -7.280 2.161 12.612 1.00 0.00 C ATOM 217 C ARG A 15 -6.066 1.230 12.586 1.00 0.00 C ATOM 218 O ARG A 15 -5.041 1.557 11.988 1.00 0.00 O ATOM 219 CB ARG A 15 -8.283 1.709 11.551 1.00 0.00 C ATOM 220 CG ARG A 15 -9.706 2.130 11.926 1.00 0.00 C ATOM 221 CD ARG A 15 -10.678 1.863 10.775 1.00 0.00 C ATOM 222 NE ARG A 15 -11.656 0.825 11.169 1.00 0.00 N ATOM 223 CZ ARG A 15 -12.697 0.436 10.403 1.00 0.00 C ATOM 224 NH1 ARG A 15 -12.906 0.999 9.193 1.00 0.00 N ATOM 225 NH2 ARG A 15 -13.509 -0.502 10.855 1.00 0.00 N ATOM 0 H ARG A 15 -6.663 3.768 11.418 1.00 0.00 H new ATOM 0 HA ARG A 15 -7.758 2.113 13.590 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -8.015 2.139 10.586 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -8.238 0.626 11.441 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -10.029 1.585 12.813 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -9.720 3.190 12.180 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -11.199 2.782 10.507 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -10.128 1.539 9.891 1.00 0.00 H new ATOM 0 HE ARG A 15 -11.536 0.375 12.077 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -12.275 1.724 8.852 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -13.695 0.699 8.620 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -13.345 -0.921 11.770 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -14.301 -0.808 10.289 1.00 0.00 H new ATOM 238 N PRO A 16 -6.225 0.058 13.258 1.00 0.00 N ATOM 239 CA PRO A 16 -5.153 -0.921 13.316 1.00 0.00 C ATOM 240 C PRO A 16 -5.017 -1.664 11.986 1.00 0.00 C ATOM 241 O PRO A 16 -5.980 -2.246 11.493 1.00 0.00 O ATOM 242 CB PRO A 16 -5.522 -1.838 14.471 1.00 0.00 C ATOM 243 CG PRO A 16 -7.007 -1.622 14.718 1.00 0.00 C ATOM 244 CD PRO A 16 -7.423 -0.362 13.977 1.00 0.00 C ATOM 0 HA PRO A 16 -4.176 -0.466 13.480 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -5.315 -2.879 14.224 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -4.939 -1.599 15.361 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -7.581 -2.479 14.366 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -7.206 -1.521 15.785 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.247 -0.560 13.292 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -7.761 0.410 14.668 1.00 0.00 H new ATOM 252 N ALA A 17 -3.809 -1.617 11.441 1.00 0.00 N ATOM 253 CA ALA A 17 -3.533 -2.279 10.177 1.00 0.00 C ATOM 254 C ALA A 17 -4.120 -3.691 10.206 1.00 0.00 C ATOM 255 O ALA A 17 -4.542 -4.214 9.175 1.00 0.00 O ATOM 256 CB ALA A 17 -2.025 -2.279 9.920 1.00 0.00 C ATOM 0 H ALA A 17 -3.012 -1.131 11.852 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.004 -1.744 9.353 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.817 -2.775 8.972 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.663 -1.252 9.879 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.519 -2.810 10.726 1.00 0.00 H new ATOM 262 N SER A 18 -4.128 -4.269 11.397 1.00 0.00 N ATOM 263 CA SER A 18 -4.656 -5.612 11.574 1.00 0.00 C ATOM 264 C SER A 18 -6.053 -5.709 10.958 1.00 0.00 C ATOM 265 O SER A 18 -6.506 -6.798 10.607 1.00 0.00 O ATOM 266 CB SER A 18 -4.700 -5.996 13.054 1.00 0.00 C ATOM 267 OG SER A 18 -5.818 -5.419 13.722 1.00 0.00 O ATOM 0 H SER A 18 -3.777 -3.833 12.250 1.00 0.00 H new ATOM 0 HA SER A 18 -3.992 -6.311 11.066 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.743 -7.081 13.146 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.780 -5.671 13.540 1.00 0.00 H new ATOM 0 HG SER A 18 -5.811 -5.689 14.664 1.00 0.00 H new ATOM 273 N VAL A 19 -6.698 -4.558 10.846 1.00 0.00 N ATOM 274 CA VAL A 19 -8.033 -4.500 10.279 1.00 0.00 C ATOM 275 C VAL A 19 -7.980 -4.930 8.812 1.00 0.00 C ATOM 276 O VAL A 19 -8.962 -5.438 8.273 1.00 0.00 O ATOM 277 CB VAL A 19 -8.624 -3.101 10.470 1.00 0.00 C ATOM 278 CG1 VAL A 19 -9.816 -2.876 9.537 1.00 0.00 C ATOM 279 CG2 VAL A 19 -9.018 -2.867 11.930 1.00 0.00 C ATOM 0 H VAL A 19 -6.320 -3.657 11.139 1.00 0.00 H new ATOM 0 HA VAL A 19 -8.697 -5.192 10.797 1.00 0.00 H new ATOM 0 HB VAL A 19 -7.854 -2.374 10.210 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -10.217 -1.874 9.694 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -9.492 -2.979 8.501 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -10.590 -3.614 9.751 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -9.435 -1.866 12.038 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -9.763 -3.605 12.229 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -8.137 -2.964 12.565 1.00 0.00 H new ATOM 289 N TYR A 20 -6.822 -4.711 8.206 1.00 0.00 N ATOM 290 CA TYR A 20 -6.627 -5.069 6.812 1.00 0.00 C ATOM 291 C TYR A 20 -5.428 -6.006 6.649 1.00 0.00 C ATOM 292 O TYR A 20 -4.850 -6.100 5.568 1.00 0.00 O ATOM 293 CB TYR A 20 -6.338 -3.760 6.076 1.00 0.00 C ATOM 294 CG TYR A 20 -7.592 -3.027 5.595 1.00 0.00 C ATOM 295 CD1 TYR A 20 -8.293 -3.502 4.505 1.00 0.00 C ATOM 296 CD2 TYR A 20 -8.022 -1.891 6.251 1.00 0.00 C ATOM 297 CE1 TYR A 20 -9.473 -2.812 4.051 1.00 0.00 C ATOM 298 CE2 TYR A 20 -9.203 -1.202 5.797 1.00 0.00 C ATOM 299 CZ TYR A 20 -9.870 -1.696 4.720 1.00 0.00 C ATOM 300 OH TYR A 20 -10.984 -1.045 4.292 1.00 0.00 O ATOM 0 H TYR A 20 -6.009 -4.290 8.656 1.00 0.00 H new ATOM 0 HA TYR A 20 -7.506 -5.583 6.422 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -5.775 -3.100 6.736 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -5.701 -3.971 5.217 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -7.957 -4.391 3.992 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -7.474 -1.519 7.104 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -10.030 -3.172 3.199 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -9.551 -0.313 6.301 1.00 0.00 H new ATOM 0 HH TYR A 20 -11.148 -0.267 4.865 1.00 0.00 H new ATOM 310 N LEU A 21 -5.090 -6.677 7.742 1.00 0.00 N ATOM 311 CA LEU A 21 -3.970 -7.604 7.733 1.00 0.00 C ATOM 312 C LEU A 21 -4.468 -9.001 8.107 1.00 0.00 C ATOM 313 O LEU A 21 -4.855 -9.242 9.249 1.00 0.00 O ATOM 314 CB LEU A 21 -2.844 -7.091 8.634 1.00 0.00 C ATOM 315 CG LEU A 21 -1.531 -6.743 7.931 1.00 0.00 C ATOM 316 CD1 LEU A 21 -1.556 -5.309 7.400 1.00 0.00 C ATOM 317 CD2 LEU A 21 -0.334 -6.992 8.853 1.00 0.00 C ATOM 0 H LEU A 21 -5.571 -6.597 8.638 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.541 -7.675 6.733 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.200 -6.203 9.157 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.638 -7.847 9.392 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.419 -7.402 7.070 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.610 -5.088 6.905 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.373 -5.199 6.687 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.702 -4.617 8.229 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.588 -6.737 8.330 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.427 -6.374 9.746 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.309 -8.043 9.141 1.00 0.00 H new ATOM 329 N LYS A 22 -4.443 -9.886 7.120 1.00 0.00 N ATOM 330 CA LYS A 22 -4.887 -11.254 7.331 1.00 0.00 C ATOM 331 C LYS A 22 -3.675 -12.140 7.623 1.00 0.00 C ATOM 332 O LYS A 22 -2.876 -12.419 6.732 1.00 0.00 O ATOM 333 CB LYS A 22 -5.727 -11.734 6.145 1.00 0.00 C ATOM 334 CG LYS A 22 -7.220 -11.683 6.475 1.00 0.00 C ATOM 335 CD LYS A 22 -7.852 -10.385 5.968 1.00 0.00 C ATOM 336 CE LYS A 22 -9.241 -10.177 6.572 1.00 0.00 C ATOM 337 NZ LYS A 22 -9.405 -8.777 7.027 1.00 0.00 N ATOM 0 H LYS A 22 -4.123 -9.682 6.173 1.00 0.00 H new ATOM 0 HA LYS A 22 -5.542 -11.311 8.201 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -5.522 -11.112 5.274 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -5.443 -12.753 5.883 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.725 -12.537 6.024 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.360 -11.763 7.553 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -7.211 -9.541 6.223 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -7.925 -10.413 4.881 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -10.005 -10.417 5.833 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -9.385 -10.857 7.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -10.354 -8.653 7.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -8.688 -8.560 7.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -9.289 -8.133 6.218 1.00 0.00 H new ATOM 350 N LYS A 23 -3.577 -12.558 8.877 1.00 0.00 N ATOM 351 CA LYS A 23 -2.476 -13.406 9.298 1.00 0.00 C ATOM 352 C LYS A 23 -2.671 -14.811 8.724 1.00 0.00 C ATOM 353 O LYS A 23 -2.655 -15.796 9.462 1.00 0.00 O ATOM 354 CB LYS A 23 -2.330 -13.380 10.821 1.00 0.00 C ATOM 355 CG LYS A 23 -1.433 -12.223 11.267 1.00 0.00 C ATOM 356 CD LYS A 23 -0.496 -12.659 12.394 1.00 0.00 C ATOM 357 CE LYS A 23 0.117 -11.447 13.096 1.00 0.00 C ATOM 358 NZ LYS A 23 0.066 -11.618 14.566 1.00 0.00 N ATOM 0 H LYS A 23 -4.242 -12.325 9.614 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.533 -13.027 8.904 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.313 -13.282 11.282 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -1.909 -14.325 11.166 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -0.847 -11.865 10.420 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.049 -11.389 11.604 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.046 -13.262 13.116 1.00 0.00 H new ATOM 0 HD3 LYS A 23 0.296 -13.289 11.990 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.151 -11.318 12.775 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -0.421 -10.543 12.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.486 -10.786 15.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -0.924 -11.719 14.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 0.599 -12.469 14.835 1.00 0.00 H new ATOM 371 N ASP A 24 -2.850 -14.860 7.412 1.00 0.00 N ATOM 372 CA ASP A 24 -3.049 -16.127 6.731 1.00 0.00 C ATOM 373 C ASP A 24 -3.373 -15.865 5.259 1.00 0.00 C ATOM 374 O ASP A 24 -4.177 -16.578 4.660 1.00 0.00 O ATOM 375 CB ASP A 24 -4.217 -16.904 7.340 1.00 0.00 C ATOM 376 CG ASP A 24 -5.564 -16.181 7.305 1.00 0.00 C ATOM 377 OD1 ASP A 24 -5.750 -15.144 7.960 1.00 0.00 O ATOM 378 OD2 ASP A 24 -6.459 -16.730 6.555 1.00 0.00 O ATOM 0 H ASP A 24 -2.861 -14.042 6.803 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.135 -16.711 6.835 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.317 -17.852 6.812 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.975 -17.140 8.376 1.00 0.00 H new ATOM 384 N LYS A 25 -2.732 -14.840 4.718 1.00 0.00 N ATOM 385 CA LYS A 25 -2.943 -14.473 3.328 1.00 0.00 C ATOM 386 C LYS A 25 -1.888 -13.448 2.910 1.00 0.00 C ATOM 387 O LYS A 25 -1.250 -12.825 3.758 1.00 0.00 O ATOM 388 CB LYS A 25 -4.381 -13.999 3.111 1.00 0.00 C ATOM 389 CG LYS A 25 -5.231 -15.100 2.474 1.00 0.00 C ATOM 390 CD LYS A 25 -6.627 -15.147 3.099 1.00 0.00 C ATOM 391 CE LYS A 25 -7.702 -14.792 2.071 1.00 0.00 C ATOM 392 NZ LYS A 25 -8.946 -15.550 2.337 1.00 0.00 N ATOM 0 H LYS A 25 -2.065 -14.251 5.218 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.818 -15.342 2.682 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -4.818 -13.703 4.065 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -4.384 -13.116 2.472 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -5.315 -14.925 1.401 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -4.739 -16.064 2.602 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -6.817 -16.143 3.499 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -6.677 -14.452 3.937 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -7.907 -13.722 2.105 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -7.341 -15.015 1.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -9.665 -15.297 1.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -8.750 -16.570 2.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -9.298 -15.317 3.287 1.00 0.00 H new ATOM 405 N PRO A 26 -1.731 -13.299 1.566 1.00 0.00 N ATOM 406 CA PRO A 26 -0.764 -12.360 1.025 1.00 0.00 C ATOM 407 C PRO A 26 -1.262 -10.920 1.160 1.00 0.00 C ATOM 408 O PRO A 26 -2.465 -10.669 1.110 1.00 0.00 O ATOM 409 CB PRO A 26 -0.567 -12.787 -0.421 1.00 0.00 C ATOM 410 CG PRO A 26 -1.768 -13.652 -0.767 1.00 0.00 C ATOM 411 CD PRO A 26 -2.467 -14.019 0.532 1.00 0.00 C ATOM 0 HA PRO A 26 0.183 -12.375 1.564 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -0.507 -11.920 -1.079 1.00 0.00 H new ATOM 0 HB3 PRO A 26 0.363 -13.343 -0.541 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -2.448 -13.114 -1.428 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -1.452 -14.550 -1.297 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -3.516 -13.723 0.514 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -2.442 -15.095 0.705 1.00 0.00 H new ATOM 419 N THR A 27 -0.312 -10.012 1.331 1.00 0.00 N ATOM 420 CA THR A 27 -0.640 -8.603 1.473 1.00 0.00 C ATOM 421 C THR A 27 0.212 -7.759 0.525 1.00 0.00 C ATOM 422 O THR A 27 1.440 -7.845 0.544 1.00 0.00 O ATOM 423 CB THR A 27 -0.466 -8.226 2.946 1.00 0.00 C ATOM 424 OG1 THR A 27 -1.275 -9.167 3.645 1.00 0.00 O ATOM 425 CG2 THR A 27 -1.095 -6.872 3.281 1.00 0.00 C ATOM 0 H THR A 27 0.685 -10.224 1.374 1.00 0.00 H new ATOM 0 HA THR A 27 -1.674 -8.406 1.191 1.00 0.00 H new ATOM 0 HB THR A 27 0.596 -8.205 3.192 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.494 -8.815 4.533 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.944 -6.652 4.338 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.627 -6.094 2.678 1.00 0.00 H new ATOM 0 HG23 THR A 27 -2.163 -6.904 3.066 1.00 0.00 H new ATOM 433 N LEU A 28 -0.472 -6.963 -0.283 1.00 0.00 N ATOM 434 CA LEU A 28 0.206 -6.103 -1.238 1.00 0.00 C ATOM 435 C LEU A 28 0.149 -4.655 -0.745 1.00 0.00 C ATOM 436 O LEU A 28 -0.923 -4.147 -0.426 1.00 0.00 O ATOM 437 CB LEU A 28 -0.373 -6.298 -2.641 1.00 0.00 C ATOM 438 CG LEU A 28 0.538 -5.900 -3.804 1.00 0.00 C ATOM 439 CD1 LEU A 28 1.612 -6.962 -4.047 1.00 0.00 C ATOM 440 CD2 LEU A 28 -0.279 -5.612 -5.065 1.00 0.00 C ATOM 0 H LEU A 28 -1.490 -6.895 -0.296 1.00 0.00 H new ATOM 0 HA LEU A 28 1.259 -6.374 -1.313 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.642 -7.348 -2.759 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.296 -5.722 -2.715 1.00 0.00 H new ATOM 0 HG LEU A 28 1.053 -4.977 -3.536 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.246 -6.655 -4.879 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.220 -7.076 -3.150 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.136 -7.913 -4.286 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.392 -5.331 -5.877 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.838 -6.504 -5.348 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.974 -4.795 -4.870 1.00 0.00 H new ATOM 452 N ILE A 29 1.319 -4.035 -0.697 1.00 0.00 N ATOM 453 CA ILE A 29 1.416 -2.656 -0.248 1.00 0.00 C ATOM 454 C ILE A 29 1.783 -1.763 -1.434 1.00 0.00 C ATOM 455 O ILE A 29 2.479 -2.196 -2.351 1.00 0.00 O ATOM 456 CB ILE A 29 2.387 -2.544 0.930 1.00 0.00 C ATOM 457 CG1 ILE A 29 1.962 -3.462 2.079 1.00 0.00 C ATOM 458 CG2 ILE A 29 2.534 -1.090 1.383 1.00 0.00 C ATOM 459 CD1 ILE A 29 3.179 -3.955 2.863 1.00 0.00 C ATOM 0 H ILE A 29 2.207 -4.462 -0.961 1.00 0.00 H new ATOM 0 HA ILE A 29 0.453 -2.308 0.127 1.00 0.00 H new ATOM 0 HB ILE A 29 3.369 -2.878 0.596 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.287 -2.927 2.747 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.410 -4.314 1.683 1.00 0.00 H new ATOM 0 HG21 ILE A 29 3.229 -1.038 2.221 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.915 -0.489 0.558 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.562 -0.706 1.694 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.850 -4.605 3.674 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.840 -4.510 2.198 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.715 -3.101 3.277 1.00 0.00 H new ATOM 471 N LYS A 30 1.298 -0.530 -1.379 1.00 0.00 N ATOM 472 CA LYS A 30 1.566 0.428 -2.436 1.00 0.00 C ATOM 473 C LYS A 30 1.854 1.797 -1.818 1.00 0.00 C ATOM 474 O LYS A 30 0.968 2.413 -1.226 1.00 0.00 O ATOM 475 CB LYS A 30 0.421 0.440 -3.451 1.00 0.00 C ATOM 476 CG LYS A 30 0.628 1.537 -4.499 1.00 0.00 C ATOM 477 CD LYS A 30 -0.709 2.142 -4.929 1.00 0.00 C ATOM 478 CE LYS A 30 -0.625 3.668 -4.992 1.00 0.00 C ATOM 479 NZ LYS A 30 -1.516 4.278 -3.981 1.00 0.00 N ATOM 0 H LYS A 30 0.721 -0.174 -0.617 1.00 0.00 H new ATOM 0 HA LYS A 30 2.455 0.138 -2.996 1.00 0.00 H new ATOM 0 HB2 LYS A 30 0.356 -0.530 -3.943 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.526 0.599 -2.935 1.00 0.00 H new ATOM 0 HG2 LYS A 30 1.270 2.318 -4.092 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.140 1.123 -5.368 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -0.993 1.749 -5.905 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -1.489 1.846 -4.227 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.403 3.989 -4.821 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -0.905 4.013 -5.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.890 5.177 -4.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -2.305 3.631 -3.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.980 4.455 -3.107 1.00 0.00 H new ATOM 492 N PHE A 31 3.094 2.234 -1.976 1.00 0.00 N ATOM 493 CA PHE A 31 3.509 3.519 -1.441 1.00 0.00 C ATOM 494 C PHE A 31 3.174 4.652 -2.411 1.00 0.00 C ATOM 495 O PHE A 31 3.454 4.556 -3.605 1.00 0.00 O ATOM 496 CB PHE A 31 5.027 3.456 -1.254 1.00 0.00 C ATOM 497 CG PHE A 31 5.500 2.287 -0.389 1.00 0.00 C ATOM 498 CD1 PHE A 31 5.694 1.063 -0.947 1.00 0.00 C ATOM 499 CD2 PHE A 31 5.727 2.472 0.940 1.00 0.00 C ATOM 500 CE1 PHE A 31 6.132 -0.023 -0.144 1.00 0.00 C ATOM 501 CE2 PHE A 31 6.165 1.386 1.743 1.00 0.00 C ATOM 502 CZ PHE A 31 6.359 0.162 1.184 1.00 0.00 C ATOM 0 H PHE A 31 3.826 1.721 -2.467 1.00 0.00 H new ATOM 0 HA PHE A 31 2.990 3.716 -0.503 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.501 3.385 -2.233 1.00 0.00 H new ATOM 0 HB3 PHE A 31 5.366 4.389 -0.803 1.00 0.00 H new ATOM 0 HD1 PHE A 31 5.515 0.916 -2.002 1.00 0.00 H new ATOM 0 HD2 PHE A 31 5.574 3.445 1.384 1.00 0.00 H new ATOM 0 HE1 PHE A 31 6.285 -0.996 -0.588 1.00 0.00 H new ATOM 0 HE2 PHE A 31 6.344 1.532 2.798 1.00 0.00 H new ATOM 0 HZ PHE A 31 6.693 -0.664 1.795 1.00 0.00 H new ATOM 512 N TRP A 32 2.577 5.701 -1.863 1.00 0.00 N ATOM 513 CA TRP A 32 2.198 6.851 -2.666 1.00 0.00 C ATOM 514 C TRP A 32 2.557 8.114 -1.881 1.00 0.00 C ATOM 515 O TRP A 32 2.844 8.046 -0.686 1.00 0.00 O ATOM 516 CB TRP A 32 0.720 6.787 -3.054 1.00 0.00 C ATOM 517 CG TRP A 32 -0.234 6.714 -1.861 1.00 0.00 C ATOM 518 CD1 TRP A 32 -0.311 5.758 -0.924 1.00 0.00 C ATOM 519 CD2 TRP A 32 -1.251 7.677 -1.512 1.00 0.00 C ATOM 520 NE1 TRP A 32 -1.299 6.034 -0.001 1.00 0.00 N ATOM 521 CE2 TRP A 32 -1.888 7.238 -0.369 1.00 0.00 C ATOM 522 CE3 TRP A 32 -1.619 8.880 -2.140 1.00 0.00 C ATOM 523 CZ2 TRP A 32 -2.933 7.941 0.244 1.00 0.00 C ATOM 524 CZ3 TRP A 32 -2.664 9.570 -1.515 1.00 0.00 C ATOM 525 CH2 TRP A 32 -3.317 9.141 -0.364 1.00 0.00 C ATOM 0 H TRP A 32 2.347 5.778 -0.872 1.00 0.00 H new ATOM 0 HA TRP A 32 2.745 6.860 -3.609 1.00 0.00 H new ATOM 0 HB2 TRP A 32 0.473 7.665 -3.650 1.00 0.00 H new ATOM 0 HB3 TRP A 32 0.559 5.916 -3.689 1.00 0.00 H new ATOM 0 HD1 TRP A 32 0.321 4.882 -0.895 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -1.551 5.460 0.804 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -1.134 9.243 -3.034 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -3.416 7.576 1.138 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -2.986 10.501 -1.957 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -4.117 9.732 0.058 1.00 0.00 H new ATOM 536 N ALA A 33 2.527 9.238 -2.583 1.00 0.00 N ATOM 537 CA ALA A 33 2.845 10.514 -1.965 1.00 0.00 C ATOM 538 C ALA A 33 1.723 11.512 -2.260 1.00 0.00 C ATOM 539 O ALA A 33 1.344 11.701 -3.414 1.00 0.00 O ATOM 540 CB ALA A 33 4.206 11.001 -2.470 1.00 0.00 C ATOM 0 H ALA A 33 2.288 9.291 -3.573 1.00 0.00 H new ATOM 0 HA ALA A 33 2.917 10.409 -0.882 1.00 0.00 H new ATOM 0 HB1 ALA A 33 4.445 11.958 -2.007 1.00 0.00 H new ATOM 0 HB2 ALA A 33 4.973 10.271 -2.211 1.00 0.00 H new ATOM 0 HB3 ALA A 33 4.171 11.121 -3.553 1.00 0.00 H new ATOM 546 N SER A 34 1.225 12.124 -1.195 1.00 0.00 N ATOM 547 CA SER A 34 0.154 13.098 -1.326 1.00 0.00 C ATOM 548 C SER A 34 0.553 14.183 -2.328 1.00 0.00 C ATOM 549 O SER A 34 -0.302 14.759 -2.998 1.00 0.00 O ATOM 550 CB SER A 34 -0.188 13.723 0.027 1.00 0.00 C ATOM 551 OG SER A 34 -0.293 12.745 1.057 1.00 0.00 O ATOM 0 H SER A 34 1.543 11.965 -0.239 1.00 0.00 H new ATOM 0 HA SER A 34 -0.734 12.584 -1.693 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.579 14.450 0.294 1.00 0.00 H new ATOM 0 HB3 SER A 34 -1.129 14.267 -0.053 1.00 0.00 H new ATOM 0 HG SER A 34 0.425 12.879 1.710 1.00 0.00 H new ATOM 557 N TRP A 35 1.853 14.430 -2.397 1.00 0.00 N ATOM 558 CA TRP A 35 2.375 15.437 -3.307 1.00 0.00 C ATOM 559 C TRP A 35 2.367 14.849 -4.718 1.00 0.00 C ATOM 560 O TRP A 35 2.312 15.587 -5.701 1.00 0.00 O ATOM 561 CB TRP A 35 3.761 15.909 -2.863 1.00 0.00 C ATOM 562 CG TRP A 35 4.787 14.782 -2.725 1.00 0.00 C ATOM 563 CD1 TRP A 35 5.297 14.265 -1.599 1.00 0.00 C ATOM 564 CD2 TRP A 35 5.410 14.049 -3.802 1.00 0.00 C ATOM 565 NE1 TRP A 35 6.201 13.257 -1.870 1.00 0.00 N ATOM 566 CE2 TRP A 35 6.272 13.121 -3.251 1.00 0.00 C ATOM 567 CE3 TRP A 35 5.252 14.167 -5.194 1.00 0.00 C ATOM 568 CZ2 TRP A 35 7.041 12.241 -4.020 1.00 0.00 C ATOM 569 CZ3 TRP A 35 6.028 13.279 -5.947 1.00 0.00 C ATOM 570 CH2 TRP A 35 6.899 12.339 -5.409 1.00 0.00 C ATOM 0 H TRP A 35 2.560 13.951 -1.839 1.00 0.00 H new ATOM 0 HA TRP A 35 1.747 16.328 -3.299 1.00 0.00 H new ATOM 0 HB2 TRP A 35 4.133 16.639 -3.582 1.00 0.00 H new ATOM 0 HB3 TRP A 35 3.669 16.423 -1.906 1.00 0.00 H new ATOM 0 HD1 TRP A 35 5.034 14.595 -0.605 1.00 0.00 H new ATOM 0 HE1 TRP A 35 6.721 12.712 -1.182 1.00 0.00 H new ATOM 0 HE3 TRP A 35 4.585 14.886 -5.646 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 7.709 11.524 -3.566 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 5.944 13.327 -7.023 1.00 0.00 H new ATOM 0 HH2 TRP A 35 7.463 11.687 -6.060 1.00 0.00 H new ATOM 581 N CYS A 36 2.421 13.527 -4.775 1.00 0.00 N ATOM 582 CA CYS A 36 2.421 12.832 -6.050 1.00 0.00 C ATOM 583 C CYS A 36 1.027 12.963 -6.669 1.00 0.00 C ATOM 584 O CYS A 36 0.054 12.437 -6.133 1.00 0.00 O ATOM 585 CB CYS A 36 2.840 11.368 -5.898 1.00 0.00 C ATOM 586 SG CYS A 36 2.984 10.583 -7.545 1.00 0.00 S ATOM 0 H CYS A 36 2.465 12.918 -3.958 1.00 0.00 H new ATOM 0 HA CYS A 36 3.158 13.286 -6.713 1.00 0.00 H new ATOM 0 HB2 CYS A 36 3.793 11.307 -5.372 1.00 0.00 H new ATOM 0 HB3 CYS A 36 2.108 10.833 -5.294 1.00 0.00 H new ATOM 0 HG CYS A 36 2.526 9.368 -7.488 1.00 0.00 H new ATOM 592 N PRO A 37 0.975 13.688 -7.819 1.00 0.00 N ATOM 593 CA PRO A 37 -0.282 13.897 -8.516 1.00 0.00 C ATOM 594 C PRO A 37 -0.716 12.629 -9.255 1.00 0.00 C ATOM 595 O PRO A 37 -1.892 12.265 -9.234 1.00 0.00 O ATOM 596 CB PRO A 37 -0.026 15.069 -9.449 1.00 0.00 C ATOM 597 CG PRO A 37 1.485 15.175 -9.580 1.00 0.00 C ATOM 598 CD PRO A 37 2.109 14.327 -8.483 1.00 0.00 C ATOM 0 HA PRO A 37 -1.106 14.118 -7.838 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -0.492 14.904 -10.421 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -0.449 15.989 -9.045 1.00 0.00 H new ATOM 0 HG2 PRO A 37 1.808 14.828 -10.561 1.00 0.00 H new ATOM 0 HG3 PRO A 37 1.804 16.213 -9.488 1.00 0.00 H new ATOM 0 HD2 PRO A 37 2.795 13.587 -8.896 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.682 14.939 -7.787 1.00 0.00 H new ATOM 606 N LEU A 38 0.256 11.990 -9.891 1.00 0.00 N ATOM 607 CA LEU A 38 -0.010 10.771 -10.634 1.00 0.00 C ATOM 608 C LEU A 38 -0.631 9.732 -9.698 1.00 0.00 C ATOM 609 O LEU A 38 -1.472 8.939 -10.115 1.00 0.00 O ATOM 610 CB LEU A 38 1.258 10.286 -11.339 1.00 0.00 C ATOM 611 CG LEU A 38 1.047 9.323 -12.511 1.00 0.00 C ATOM 612 CD1 LEU A 38 2.324 9.185 -13.342 1.00 0.00 C ATOM 613 CD2 LEU A 38 0.530 7.969 -12.022 1.00 0.00 C ATOM 0 H LEU A 38 1.229 12.295 -9.906 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.735 10.958 -11.426 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.803 11.157 -11.703 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.895 9.797 -10.602 1.00 0.00 H new ATOM 0 HG LEU A 38 0.281 9.741 -13.165 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.148 8.496 -14.168 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.608 10.160 -13.737 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.127 8.800 -12.714 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.389 7.304 -12.874 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.253 7.530 -11.335 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.421 8.107 -11.508 1.00 0.00 H new ATOM 625 N CYS A 39 -0.189 9.771 -8.449 1.00 0.00 N ATOM 626 CA CYS A 39 -0.689 8.842 -7.450 1.00 0.00 C ATOM 627 C CYS A 39 -2.103 9.275 -7.057 1.00 0.00 C ATOM 628 O CYS A 39 -2.999 8.443 -6.931 1.00 0.00 O ATOM 629 CB CYS A 39 0.241 8.761 -6.237 1.00 0.00 C ATOM 630 SG CYS A 39 1.705 7.737 -6.639 1.00 0.00 S ATOM 0 H CYS A 39 0.509 10.431 -8.107 1.00 0.00 H new ATOM 0 HA CYS A 39 -0.721 7.836 -7.869 1.00 0.00 H new ATOM 0 HB2 CYS A 39 0.557 9.762 -5.943 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -0.291 8.332 -5.388 1.00 0.00 H new ATOM 0 HG CYS A 39 2.489 7.676 -5.604 1.00 0.00 H new ATOM 636 N LEU A 40 -2.258 10.578 -6.872 1.00 0.00 N ATOM 637 CA LEU A 40 -3.547 11.132 -6.496 1.00 0.00 C ATOM 638 C LEU A 40 -4.619 10.617 -7.458 1.00 0.00 C ATOM 639 O LEU A 40 -5.671 10.149 -7.027 1.00 0.00 O ATOM 640 CB LEU A 40 -3.473 12.658 -6.417 1.00 0.00 C ATOM 641 CG LEU A 40 -2.794 13.235 -5.173 1.00 0.00 C ATOM 642 CD1 LEU A 40 -2.510 14.727 -5.345 1.00 0.00 C ATOM 643 CD2 LEU A 40 -3.620 12.949 -3.917 1.00 0.00 C ATOM 0 H LEU A 40 -1.512 11.266 -6.976 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.828 10.798 -5.497 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.943 13.022 -7.297 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.487 13.054 -6.469 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.832 12.738 -5.047 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.027 15.111 -4.446 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.853 14.876 -6.202 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.447 15.259 -5.510 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.116 13.369 -3.047 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.606 13.402 -4.019 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.727 11.872 -3.789 1.00 0.00 H new ATOM 655 N SER A 41 -4.314 10.722 -8.744 1.00 0.00 N ATOM 656 CA SER A 41 -5.239 10.272 -9.770 1.00 0.00 C ATOM 657 C SER A 41 -5.347 8.746 -9.747 1.00 0.00 C ATOM 658 O SER A 41 -6.353 8.186 -10.173 1.00 0.00 O ATOM 659 CB SER A 41 -4.800 10.754 -11.155 1.00 0.00 C ATOM 660 OG SER A 41 -4.701 9.679 -12.086 1.00 0.00 O ATOM 0 H SER A 41 -3.440 11.112 -9.098 1.00 0.00 H new ATOM 0 HA SER A 41 -6.219 10.700 -9.559 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.513 11.491 -11.526 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.835 11.256 -11.076 1.00 0.00 H new ATOM 0 HG SER A 41 -4.420 10.026 -12.958 1.00 0.00 H new ATOM 666 N GLU A 42 -4.293 8.119 -9.245 1.00 0.00 N ATOM 667 CA GLU A 42 -4.255 6.670 -9.160 1.00 0.00 C ATOM 668 C GLU A 42 -5.098 6.185 -7.979 1.00 0.00 C ATOM 669 O GLU A 42 -5.599 5.061 -7.988 1.00 0.00 O ATOM 670 CB GLU A 42 -2.816 6.164 -9.051 1.00 0.00 C ATOM 671 CG GLU A 42 -2.622 4.878 -9.859 1.00 0.00 C ATOM 672 CD GLU A 42 -2.767 5.147 -11.359 1.00 0.00 C ATOM 673 OE1 GLU A 42 -3.885 5.096 -11.893 1.00 0.00 O ATOM 674 OE2 GLU A 42 -1.665 5.417 -11.971 1.00 0.00 O ATOM 0 H GLU A 42 -3.459 8.589 -8.893 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.680 6.261 -10.077 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.129 6.930 -9.411 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.570 5.981 -8.005 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -1.636 4.461 -9.654 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.355 4.134 -9.547 1.00 0.00 H new ATOM 682 N LEU A 43 -5.229 7.057 -6.989 1.00 0.00 N ATOM 683 CA LEU A 43 -6.002 6.731 -5.803 1.00 0.00 C ATOM 684 C LEU A 43 -7.310 6.055 -6.222 1.00 0.00 C ATOM 685 O LEU A 43 -7.621 4.957 -5.762 1.00 0.00 O ATOM 686 CB LEU A 43 -6.204 7.976 -4.937 1.00 0.00 C ATOM 687 CG LEU A 43 -4.972 8.469 -4.174 1.00 0.00 C ATOM 688 CD1 LEU A 43 -5.178 9.897 -3.665 1.00 0.00 C ATOM 689 CD2 LEU A 43 -4.603 7.505 -3.045 1.00 0.00 C ATOM 0 H LEU A 43 -4.813 7.988 -6.984 1.00 0.00 H new ATOM 0 HA LEU A 43 -5.461 6.020 -5.179 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -6.559 8.785 -5.576 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -6.995 7.768 -4.216 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.129 8.492 -4.865 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.288 10.223 -3.126 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -5.355 10.562 -4.510 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -6.038 9.924 -2.995 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.725 7.879 -2.519 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.437 7.426 -2.347 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.384 6.522 -3.463 1.00 0.00 H new ATOM 701 N GLY A 44 -8.041 6.739 -7.089 1.00 0.00 N ATOM 702 CA GLY A 44 -9.309 6.219 -7.574 1.00 0.00 C ATOM 703 C GLY A 44 -9.150 4.789 -8.097 1.00 0.00 C ATOM 704 O GLY A 44 -9.906 3.898 -7.714 1.00 0.00 O ATOM 0 H GLY A 44 -7.780 7.649 -7.469 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -10.045 6.237 -6.770 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -9.690 6.861 -8.369 1.00 0.00 H new ATOM 708 N GLN A 45 -8.161 4.615 -8.960 1.00 0.00 N ATOM 709 CA GLN A 45 -7.893 3.309 -9.539 1.00 0.00 C ATOM 710 C GLN A 45 -7.542 2.304 -8.440 1.00 0.00 C ATOM 711 O GLN A 45 -7.798 1.110 -8.583 1.00 0.00 O ATOM 712 CB GLN A 45 -6.779 3.390 -10.585 1.00 0.00 C ATOM 713 CG GLN A 45 -6.677 2.088 -11.380 1.00 0.00 C ATOM 714 CD GLN A 45 -6.465 2.368 -12.869 1.00 0.00 C ATOM 715 OE1 GLN A 45 -7.374 2.286 -13.678 1.00 0.00 O ATOM 716 NE2 GLN A 45 -5.217 2.703 -13.183 1.00 0.00 N ATOM 0 H GLN A 45 -7.535 5.357 -9.273 1.00 0.00 H new ATOM 0 HA GLN A 45 -8.795 2.965 -10.045 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -6.973 4.220 -11.264 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -5.828 3.595 -10.093 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -5.851 1.489 -10.998 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -7.586 1.502 -11.243 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -4.504 2.753 -12.455 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -4.973 2.910 -14.151 1.00 0.00 H new ATOM 725 N THR A 46 -6.962 2.826 -7.369 1.00 0.00 N ATOM 726 CA THR A 46 -6.574 1.988 -6.246 1.00 0.00 C ATOM 727 C THR A 46 -7.802 1.597 -5.423 1.00 0.00 C ATOM 728 O THR A 46 -7.909 0.461 -4.962 1.00 0.00 O ATOM 729 CB THR A 46 -5.516 2.743 -5.439 1.00 0.00 C ATOM 730 OG1 THR A 46 -4.445 2.932 -6.360 1.00 0.00 O ATOM 731 CG2 THR A 46 -4.906 1.885 -4.328 1.00 0.00 C ATOM 0 H THR A 46 -6.751 3.817 -7.255 1.00 0.00 H new ATOM 0 HA THR A 46 -6.137 1.048 -6.584 1.00 0.00 H new ATOM 0 HB THR A 46 -5.961 3.638 -5.004 1.00 0.00 H new ATOM 0 HG1 THR A 46 -4.656 3.680 -6.958 1.00 0.00 H new ATOM 0 HG21 THR A 46 -4.161 2.468 -3.786 1.00 0.00 H new ATOM 0 HG22 THR A 46 -5.690 1.569 -3.640 1.00 0.00 H new ATOM 0 HG23 THR A 46 -4.431 1.007 -4.766 1.00 0.00 H new ATOM 739 N GLU A 47 -8.699 2.560 -5.261 1.00 0.00 N ATOM 740 CA GLU A 47 -9.915 2.329 -4.501 1.00 0.00 C ATOM 741 C GLU A 47 -10.801 1.306 -5.215 1.00 0.00 C ATOM 742 O GLU A 47 -11.475 0.505 -4.568 1.00 0.00 O ATOM 743 CB GLU A 47 -10.670 3.639 -4.266 1.00 0.00 C ATOM 744 CG GLU A 47 -11.679 3.494 -3.124 1.00 0.00 C ATOM 745 CD GLU A 47 -11.738 4.767 -2.279 1.00 0.00 C ATOM 746 OE1 GLU A 47 -11.467 5.863 -2.791 1.00 0.00 O ATOM 747 OE2 GLU A 47 -12.081 4.590 -1.048 1.00 0.00 O ATOM 0 H GLU A 47 -8.607 3.501 -5.643 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.641 1.925 -3.526 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.962 4.434 -4.032 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -11.188 3.933 -5.179 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -12.666 3.278 -3.532 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.402 2.648 -2.495 1.00 0.00 H new ATOM 755 N LYS A 48 -10.772 1.364 -6.538 1.00 0.00 N ATOM 756 CA LYS A 48 -11.564 0.454 -7.346 1.00 0.00 C ATOM 757 C LYS A 48 -10.891 -0.920 -7.364 1.00 0.00 C ATOM 758 O LYS A 48 -11.506 -1.921 -6.994 1.00 0.00 O ATOM 759 CB LYS A 48 -11.801 1.040 -8.739 1.00 0.00 C ATOM 760 CG LYS A 48 -12.545 0.046 -9.633 1.00 0.00 C ATOM 761 CD LYS A 48 -13.442 0.775 -10.635 1.00 0.00 C ATOM 762 CE LYS A 48 -14.877 0.250 -10.570 1.00 0.00 C ATOM 763 NZ LYS A 48 -15.083 -0.824 -11.566 1.00 0.00 N ATOM 0 H LYS A 48 -10.211 2.029 -7.071 1.00 0.00 H new ATOM 0 HA LYS A 48 -12.554 0.321 -6.910 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -12.377 1.962 -8.656 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.846 1.301 -9.195 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.827 -0.576 -10.168 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -13.148 -0.621 -9.018 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -13.433 1.845 -10.426 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -13.048 0.644 -11.643 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -15.087 -0.129 -9.570 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -15.577 1.065 -10.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -16.063 -1.168 -11.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -14.903 -0.452 -12.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -14.428 -1.608 -11.371 1.00 0.00 H new ATOM 776 N TRP A 49 -9.640 -0.926 -7.796 1.00 0.00 N ATOM 777 CA TRP A 49 -8.877 -2.160 -7.867 1.00 0.00 C ATOM 778 C TRP A 49 -8.900 -2.812 -6.482 1.00 0.00 C ATOM 779 O TRP A 49 -8.768 -4.028 -6.362 1.00 0.00 O ATOM 780 CB TRP A 49 -7.459 -1.902 -8.382 1.00 0.00 C ATOM 781 CG TRP A 49 -7.396 -1.515 -9.861 1.00 0.00 C ATOM 782 CD1 TRP A 49 -8.404 -1.452 -10.741 1.00 0.00 C ATOM 783 CD2 TRP A 49 -6.215 -1.137 -10.600 1.00 0.00 C ATOM 784 NE1 TRP A 49 -7.961 -1.064 -11.990 1.00 0.00 N ATOM 785 CE2 TRP A 49 -6.587 -0.865 -11.901 1.00 0.00 C ATOM 786 CE3 TRP A 49 -4.877 -1.027 -10.184 1.00 0.00 C ATOM 787 CZ2 TRP A 49 -5.682 -0.468 -12.891 1.00 0.00 C ATOM 788 CZ3 TRP A 49 -3.983 -0.629 -11.186 1.00 0.00 C ATOM 789 CH2 TRP A 49 -4.343 -0.352 -12.499 1.00 0.00 C ATOM 0 H TRP A 49 -9.134 -0.094 -8.101 1.00 0.00 H new ATOM 0 HA TRP A 49 -9.326 -2.848 -8.584 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -7.007 -1.107 -7.789 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -6.858 -2.798 -8.225 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -9.433 -1.676 -10.504 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -8.536 -0.945 -12.824 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -4.563 -1.233 -9.171 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -5.999 -0.262 -13.903 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -2.941 -0.531 -10.919 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -3.593 -0.048 -13.214 1.00 0.00 H new ATOM 800 N ALA A 50 -9.070 -1.970 -5.472 1.00 0.00 N ATOM 801 CA ALA A 50 -9.112 -2.448 -4.100 1.00 0.00 C ATOM 802 C ALA A 50 -10.394 -3.256 -3.885 1.00 0.00 C ATOM 803 O ALA A 50 -10.557 -3.905 -2.854 1.00 0.00 O ATOM 804 CB ALA A 50 -9.005 -1.260 -3.143 1.00 0.00 C ATOM 0 H ALA A 50 -9.180 -0.961 -5.576 1.00 0.00 H new ATOM 0 HA ALA A 50 -8.268 -3.108 -3.897 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -9.036 -1.618 -2.114 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.065 -0.736 -3.317 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.837 -0.578 -3.315 1.00 0.00 H new ATOM 810 N GLN A 51 -11.271 -3.190 -4.878 1.00 0.00 N ATOM 811 CA GLN A 51 -12.532 -3.907 -4.810 1.00 0.00 C ATOM 812 C GLN A 51 -12.555 -5.040 -5.838 1.00 0.00 C ATOM 813 O GLN A 51 -13.453 -5.880 -5.822 1.00 0.00 O ATOM 814 CB GLN A 51 -13.714 -2.957 -5.015 1.00 0.00 C ATOM 815 CG GLN A 51 -14.253 -3.052 -6.445 1.00 0.00 C ATOM 816 CD GLN A 51 -15.432 -2.100 -6.651 1.00 0.00 C ATOM 817 OE1 GLN A 51 -16.580 -2.432 -6.406 1.00 0.00 O ATOM 818 NE2 GLN A 51 -15.087 -0.903 -7.114 1.00 0.00 N ATOM 0 H GLN A 51 -11.132 -2.651 -5.733 1.00 0.00 H new ATOM 0 HA GLN A 51 -12.626 -4.343 -3.816 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -14.507 -3.199 -4.307 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -13.403 -1.933 -4.807 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -13.460 -2.812 -7.153 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -14.567 -4.075 -6.652 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -14.106 -0.691 -7.298 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -15.803 -0.197 -7.285 1.00 0.00 H new ATOM 827 N ASP A 52 -11.554 -5.027 -6.706 1.00 0.00 N ATOM 828 CA ASP A 52 -11.448 -6.044 -7.739 1.00 0.00 C ATOM 829 C ASP A 52 -11.370 -7.425 -7.085 1.00 0.00 C ATOM 830 O ASP A 52 -10.494 -7.675 -6.258 1.00 0.00 O ATOM 831 CB ASP A 52 -10.184 -5.847 -8.578 1.00 0.00 C ATOM 832 CG ASP A 52 -9.659 -7.110 -9.264 1.00 0.00 C ATOM 833 OD1 ASP A 52 -8.490 -7.489 -9.096 1.00 0.00 O ATOM 834 OD2 ASP A 52 -10.516 -7.723 -10.007 1.00 0.00 O ATOM 0 H ASP A 52 -10.810 -4.329 -6.715 1.00 0.00 H new ATOM 0 HA ASP A 52 -12.325 -5.963 -8.382 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -10.386 -5.095 -9.341 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -9.399 -5.447 -7.936 1.00 0.00 H new ATOM 840 N ALA A 53 -12.297 -8.284 -7.478 1.00 0.00 N ATOM 841 CA ALA A 53 -12.346 -9.633 -6.940 1.00 0.00 C ATOM 842 C ALA A 53 -10.992 -10.311 -7.156 1.00 0.00 C ATOM 843 O ALA A 53 -10.413 -10.862 -6.220 1.00 0.00 O ATOM 844 CB ALA A 53 -13.496 -10.404 -7.592 1.00 0.00 C ATOM 0 H ALA A 53 -13.022 -8.072 -8.164 1.00 0.00 H new ATOM 0 HA ALA A 53 -12.538 -9.612 -5.867 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -13.531 -11.416 -7.187 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -14.438 -9.897 -7.384 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -13.339 -10.450 -8.670 1.00 0.00 H new ATOM 850 N LYS A 54 -10.526 -10.251 -8.395 1.00 0.00 N ATOM 851 CA LYS A 54 -9.252 -10.852 -8.745 1.00 0.00 C ATOM 852 C LYS A 54 -8.191 -10.419 -7.730 1.00 0.00 C ATOM 853 O LYS A 54 -7.284 -11.186 -7.410 1.00 0.00 O ATOM 854 CB LYS A 54 -8.886 -10.526 -10.195 1.00 0.00 C ATOM 855 CG LYS A 54 -9.420 -11.594 -11.149 1.00 0.00 C ATOM 856 CD LYS A 54 -8.274 -12.312 -11.866 1.00 0.00 C ATOM 857 CE LYS A 54 -8.785 -13.072 -13.092 1.00 0.00 C ATOM 858 NZ LYS A 54 -8.936 -14.511 -12.782 1.00 0.00 N ATOM 0 H LYS A 54 -11.009 -9.795 -9.169 1.00 0.00 H new ATOM 0 HA LYS A 54 -9.317 -11.939 -8.693 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -9.295 -9.553 -10.467 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -7.803 -10.455 -10.293 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.016 -12.318 -10.593 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -10.081 -11.133 -11.883 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.520 -11.586 -12.172 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.789 -13.006 -11.180 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.743 -12.660 -13.410 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -8.091 -12.943 -13.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -9.283 -15.013 -13.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -8.015 -14.904 -12.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -9.616 -14.629 -12.004 1.00 0.00 H new ATOM 871 N PHE A 55 -8.341 -9.193 -7.252 1.00 0.00 N ATOM 872 CA PHE A 55 -7.409 -8.649 -6.279 1.00 0.00 C ATOM 873 C PHE A 55 -7.675 -9.220 -4.885 1.00 0.00 C ATOM 874 O PHE A 55 -6.764 -9.317 -4.066 1.00 0.00 O ATOM 875 CB PHE A 55 -7.627 -7.135 -6.249 1.00 0.00 C ATOM 876 CG PHE A 55 -6.385 -6.320 -6.607 1.00 0.00 C ATOM 877 CD1 PHE A 55 -5.231 -6.494 -5.908 1.00 0.00 C ATOM 878 CD2 PHE A 55 -6.432 -5.420 -7.627 1.00 0.00 C ATOM 879 CE1 PHE A 55 -4.077 -5.737 -6.241 1.00 0.00 C ATOM 880 CE2 PHE A 55 -5.278 -4.663 -7.960 1.00 0.00 C ATOM 881 CZ PHE A 55 -4.124 -4.837 -7.260 1.00 0.00 C ATOM 0 H PHE A 55 -9.095 -8.560 -7.520 1.00 0.00 H new ATOM 0 HA PHE A 55 -6.387 -8.907 -6.558 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -8.428 -6.880 -6.942 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -7.963 -6.847 -5.253 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -5.193 -7.209 -5.099 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -7.347 -5.282 -8.183 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -3.161 -5.876 -5.685 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -5.316 -3.949 -8.769 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.246 -4.261 -7.513 1.00 0.00 H new ATOM 891 N SER A 56 -8.929 -9.582 -4.659 1.00 0.00 N ATOM 892 CA SER A 56 -9.327 -10.140 -3.378 1.00 0.00 C ATOM 893 C SER A 56 -8.334 -11.221 -2.946 1.00 0.00 C ATOM 894 O SER A 56 -7.972 -11.305 -1.773 1.00 0.00 O ATOM 895 CB SER A 56 -10.743 -10.716 -3.444 1.00 0.00 C ATOM 896 OG SER A 56 -11.702 -9.735 -3.830 1.00 0.00 O ATOM 0 H SER A 56 -9.683 -9.500 -5.341 1.00 0.00 H new ATOM 0 HA SER A 56 -9.324 -9.338 -2.640 1.00 0.00 H new ATOM 0 HB2 SER A 56 -10.765 -11.543 -4.154 1.00 0.00 H new ATOM 0 HB3 SER A 56 -11.014 -11.124 -2.470 1.00 0.00 H new ATOM 0 HG SER A 56 -12.605 -10.095 -3.709 1.00 0.00 H new ATOM 902 N SER A 57 -7.921 -12.022 -3.918 1.00 0.00 N ATOM 903 CA SER A 57 -6.977 -13.094 -3.653 1.00 0.00 C ATOM 904 C SER A 57 -5.916 -12.622 -2.656 1.00 0.00 C ATOM 905 O SER A 57 -5.428 -13.409 -1.846 1.00 0.00 O ATOM 906 CB SER A 57 -6.313 -13.574 -4.946 1.00 0.00 C ATOM 907 OG SER A 57 -6.619 -14.937 -5.229 1.00 0.00 O ATOM 0 H SER A 57 -8.223 -11.950 -4.890 1.00 0.00 H new ATOM 0 HA SER A 57 -7.524 -13.933 -3.223 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.642 -12.949 -5.776 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.233 -13.454 -4.865 1.00 0.00 H new ATOM 0 HG SER A 57 -6.178 -15.205 -6.062 1.00 0.00 H new ATOM 913 N ALA A 58 -5.592 -11.341 -2.747 1.00 0.00 N ATOM 914 CA ALA A 58 -4.598 -10.755 -1.863 1.00 0.00 C ATOM 915 C ALA A 58 -5.142 -9.446 -1.289 1.00 0.00 C ATOM 916 O ALA A 58 -6.121 -8.901 -1.796 1.00 0.00 O ATOM 917 CB ALA A 58 -3.289 -10.559 -2.627 1.00 0.00 C ATOM 0 H ALA A 58 -6.000 -10.692 -3.420 1.00 0.00 H new ATOM 0 HA ALA A 58 -4.389 -11.420 -1.025 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.543 -10.120 -1.964 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -2.931 -11.523 -2.988 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.458 -9.894 -3.474 1.00 0.00 H new ATOM 923 N ASN A 59 -4.482 -8.979 -0.239 1.00 0.00 N ATOM 924 CA ASN A 59 -4.886 -7.743 0.409 1.00 0.00 C ATOM 925 C ASN A 59 -4.164 -6.566 -0.250 1.00 0.00 C ATOM 926 O ASN A 59 -2.935 -6.530 -0.289 1.00 0.00 O ATOM 927 CB ASN A 59 -4.517 -7.753 1.894 1.00 0.00 C ATOM 928 CG ASN A 59 -4.723 -9.141 2.501 1.00 0.00 C ATOM 929 OD1 ASN A 59 -5.727 -9.799 2.282 1.00 0.00 O ATOM 930 ND2 ASN A 59 -3.719 -9.548 3.274 1.00 0.00 N ATOM 0 H ASN A 59 -3.671 -9.434 0.179 1.00 0.00 H new ATOM 0 HA ASN A 59 -5.967 -7.647 0.307 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -3.477 -7.450 2.016 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -5.126 -7.024 2.429 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -3.761 -10.462 3.726 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -2.907 -8.946 3.415 1.00 0.00 H new ATOM 937 N LEU A 60 -4.959 -5.631 -0.752 1.00 0.00 N ATOM 938 CA LEU A 60 -4.411 -4.456 -1.408 1.00 0.00 C ATOM 939 C LEU A 60 -4.566 -3.243 -0.487 1.00 0.00 C ATOM 940 O LEU A 60 -5.669 -2.941 -0.035 1.00 0.00 O ATOM 941 CB LEU A 60 -5.046 -4.267 -2.787 1.00 0.00 C ATOM 942 CG LEU A 60 -4.714 -2.956 -3.504 1.00 0.00 C ATOM 943 CD1 LEU A 60 -5.207 -2.984 -4.952 1.00 0.00 C ATOM 944 CD2 LEU A 60 -5.262 -1.754 -2.734 1.00 0.00 C ATOM 0 H LEU A 60 -5.978 -5.664 -0.717 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.344 -4.584 -1.589 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.736 -5.095 -3.424 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.129 -4.335 -2.679 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.630 -2.849 -3.535 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.959 -2.041 -5.439 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.726 -3.805 -5.484 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.288 -3.126 -4.966 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.012 -0.836 -3.266 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.345 -1.840 -2.648 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.820 -1.728 -1.738 1.00 0.00 H new ATOM 956 N ILE A 61 -3.444 -2.584 -0.235 1.00 0.00 N ATOM 957 CA ILE A 61 -3.442 -1.412 0.623 1.00 0.00 C ATOM 958 C ILE A 61 -2.267 -0.509 0.243 1.00 0.00 C ATOM 959 O ILE A 61 -1.338 -0.946 -0.435 1.00 0.00 O ATOM 960 CB ILE A 61 -3.447 -1.827 2.096 1.00 0.00 C ATOM 961 CG1 ILE A 61 -2.088 -2.398 2.509 1.00 0.00 C ATOM 962 CG2 ILE A 61 -4.591 -2.802 2.387 1.00 0.00 C ATOM 963 CD1 ILE A 61 -1.474 -1.580 3.647 1.00 0.00 C ATOM 0 H ILE A 61 -2.531 -2.840 -0.610 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.352 -0.830 0.476 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.620 -0.937 2.701 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.205 -3.435 2.824 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.414 -2.399 1.652 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.572 -3.081 3.440 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.543 -2.325 2.155 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.473 -3.695 1.773 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.509 -2.006 3.922 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.336 -0.549 3.321 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.139 -1.601 4.510 1.00 0.00 H new ATOM 975 N THR A 62 -2.347 0.734 0.695 1.00 0.00 N ATOM 976 CA THR A 62 -1.302 1.702 0.411 1.00 0.00 C ATOM 977 C THR A 62 -0.609 2.135 1.704 1.00 0.00 C ATOM 978 O THR A 62 -1.201 2.068 2.780 1.00 0.00 O ATOM 979 CB THR A 62 -1.932 2.864 -0.361 1.00 0.00 C ATOM 980 OG1 THR A 62 -2.751 3.518 0.605 1.00 0.00 O ATOM 981 CG2 THR A 62 -2.920 2.392 -1.429 1.00 0.00 C ATOM 0 H THR A 62 -3.120 1.093 1.256 1.00 0.00 H new ATOM 0 HA THR A 62 -0.518 1.268 -0.209 1.00 0.00 H new ATOM 0 HB THR A 62 -1.146 3.455 -0.831 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.687 3.264 0.466 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.337 3.256 -1.946 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.403 1.754 -2.146 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.725 1.829 -0.957 1.00 0.00 H new ATOM 989 N VAL A 63 0.632 2.569 1.556 1.00 0.00 N ATOM 990 CA VAL A 63 1.413 3.014 2.698 1.00 0.00 C ATOM 991 C VAL A 63 1.953 4.418 2.428 1.00 0.00 C ATOM 992 O VAL A 63 2.284 4.752 1.291 1.00 0.00 O ATOM 993 CB VAL A 63 2.514 1.999 3.007 1.00 0.00 C ATOM 994 CG1 VAL A 63 3.680 2.661 3.744 1.00 0.00 C ATOM 995 CG2 VAL A 63 1.962 0.816 3.805 1.00 0.00 C ATOM 0 H VAL A 63 1.118 2.623 0.661 1.00 0.00 H new ATOM 0 HA VAL A 63 0.786 3.074 3.588 1.00 0.00 H new ATOM 0 HB VAL A 63 2.891 1.616 2.059 1.00 0.00 H new ATOM 0 HG11 VAL A 63 4.449 1.917 3.951 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.100 3.453 3.124 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.323 3.085 4.682 1.00 0.00 H new ATOM 0 HG21 VAL A 63 2.766 0.109 4.011 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.544 1.175 4.746 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.182 0.320 3.227 1.00 0.00 H new ATOM 1005 N ALA A 64 2.025 5.206 3.491 1.00 0.00 N ATOM 1006 CA ALA A 64 2.519 6.568 3.381 1.00 0.00 C ATOM 1007 C ALA A 64 3.516 6.835 4.510 1.00 0.00 C ATOM 1008 O ALA A 64 3.404 6.262 5.592 1.00 0.00 O ATOM 1009 CB ALA A 64 1.340 7.543 3.401 1.00 0.00 C ATOM 0 H ALA A 64 1.749 4.927 4.433 1.00 0.00 H new ATOM 0 HA ALA A 64 3.043 6.712 2.436 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.711 8.565 3.318 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.677 7.329 2.563 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.791 7.431 4.336 1.00 0.00 H new ATOM 1015 N SER A 65 4.471 7.708 4.220 1.00 0.00 N ATOM 1016 CA SER A 65 5.487 8.058 5.197 1.00 0.00 C ATOM 1017 C SER A 65 5.486 9.571 5.433 1.00 0.00 C ATOM 1018 O SER A 65 5.908 10.337 4.567 1.00 0.00 O ATOM 1019 CB SER A 65 6.872 7.594 4.743 1.00 0.00 C ATOM 1020 OG SER A 65 7.770 7.440 5.840 1.00 0.00 O ATOM 0 H SER A 65 4.562 8.183 3.322 1.00 0.00 H new ATOM 0 HA SER A 65 5.252 7.549 6.132 1.00 0.00 H new ATOM 0 HB2 SER A 65 6.781 6.646 4.213 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.283 8.316 4.037 1.00 0.00 H new ATOM 0 HG SER A 65 7.274 7.137 6.629 1.00 0.00 H new ATOM 1026 N PRO A 66 4.997 9.964 6.639 1.00 0.00 N ATOM 1027 CA PRO A 66 4.936 11.370 6.999 1.00 0.00 C ATOM 1028 C PRO A 66 6.325 11.908 7.349 1.00 0.00 C ATOM 1029 O PRO A 66 7.083 11.256 8.067 1.00 0.00 O ATOM 1030 CB PRO A 66 3.962 11.437 8.164 1.00 0.00 C ATOM 1031 CG PRO A 66 3.873 10.021 8.713 1.00 0.00 C ATOM 1032 CD PRO A 66 4.489 9.084 7.687 1.00 0.00 C ATOM 0 HA PRO A 66 4.596 12.000 6.177 1.00 0.00 H new ATOM 0 HB2 PRO A 66 4.313 12.131 8.928 1.00 0.00 H new ATOM 0 HB3 PRO A 66 2.985 11.791 7.836 1.00 0.00 H new ATOM 0 HG2 PRO A 66 4.401 9.946 9.664 1.00 0.00 H new ATOM 0 HG3 PRO A 66 2.835 9.750 8.903 1.00 0.00 H new ATOM 0 HD2 PRO A 66 5.289 8.488 8.125 1.00 0.00 H new ATOM 0 HD3 PRO A 66 3.750 8.386 7.294 1.00 0.00 H new ATOM 1040 N GLY A 67 6.617 13.089 6.826 1.00 0.00 N ATOM 1041 CA GLY A 67 7.902 13.721 7.075 1.00 0.00 C ATOM 1042 C GLY A 67 9.028 12.969 6.364 1.00 0.00 C ATOM 1043 O GLY A 67 10.203 13.278 6.557 1.00 0.00 O ATOM 0 H GLY A 67 5.986 13.626 6.231 1.00 0.00 H new ATOM 0 HA2 GLY A 67 7.876 14.755 6.731 1.00 0.00 H new ATOM 0 HA3 GLY A 67 8.097 13.747 8.147 1.00 0.00 H new ATOM 1047 N PHE A 68 8.631 11.998 5.555 1.00 0.00 N ATOM 1048 CA PHE A 68 9.593 11.201 4.814 1.00 0.00 C ATOM 1049 C PHE A 68 9.289 11.229 3.315 1.00 0.00 C ATOM 1050 O PHE A 68 8.160 10.973 2.901 1.00 0.00 O ATOM 1051 CB PHE A 68 9.466 9.762 5.320 1.00 0.00 C ATOM 1052 CG PHE A 68 10.364 8.763 4.587 1.00 0.00 C ATOM 1053 CD1 PHE A 68 9.953 8.215 3.414 1.00 0.00 C ATOM 1054 CD2 PHE A 68 11.572 8.424 5.110 1.00 0.00 C ATOM 1055 CE1 PHE A 68 10.785 7.287 2.732 1.00 0.00 C ATOM 1056 CE2 PHE A 68 12.406 7.497 4.430 1.00 0.00 C ATOM 1057 CZ PHE A 68 11.994 6.948 3.255 1.00 0.00 C ATOM 0 H PHE A 68 7.656 11.745 5.396 1.00 0.00 H new ATOM 0 HA PHE A 68 10.597 11.598 4.962 1.00 0.00 H new ATOM 0 HB2 PHE A 68 9.706 9.739 6.383 1.00 0.00 H new ATOM 0 HB3 PHE A 68 8.428 9.443 5.221 1.00 0.00 H new ATOM 0 HD1 PHE A 68 8.993 8.485 2.999 1.00 0.00 H new ATOM 0 HD2 PHE A 68 11.898 8.860 6.043 1.00 0.00 H new ATOM 0 HE1 PHE A 68 10.458 6.851 1.799 1.00 0.00 H new ATOM 0 HE2 PHE A 68 13.366 7.228 4.845 1.00 0.00 H new ATOM 0 HZ PHE A 68 12.627 6.243 2.737 1.00 0.00 H new ATOM 1067 N LEU A 69 10.319 11.544 2.542 1.00 0.00 N ATOM 1068 CA LEU A 69 10.176 11.610 1.097 1.00 0.00 C ATOM 1069 C LEU A 69 9.471 12.913 0.717 1.00 0.00 C ATOM 1070 O LEU A 69 8.895 13.018 -0.366 1.00 0.00 O ATOM 1071 CB LEU A 69 9.477 10.355 0.570 1.00 0.00 C ATOM 1072 CG LEU A 69 10.281 9.503 -0.416 1.00 0.00 C ATOM 1073 CD1 LEU A 69 11.712 9.294 0.081 1.00 0.00 C ATOM 1074 CD2 LEU A 69 9.571 8.176 -0.696 1.00 0.00 C ATOM 0 H LEU A 69 11.255 11.756 2.889 1.00 0.00 H new ATOM 0 HA LEU A 69 11.155 11.626 0.618 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.204 9.731 1.421 1.00 0.00 H new ATOM 0 HB3 LEU A 69 8.548 10.657 0.086 1.00 0.00 H new ATOM 0 HG LEU A 69 10.345 10.041 -1.362 1.00 0.00 H new ATOM 0 HD11 LEU A 69 12.262 8.686 -0.637 1.00 0.00 H new ATOM 0 HD12 LEU A 69 12.204 10.260 0.190 1.00 0.00 H new ATOM 0 HD13 LEU A 69 11.692 8.787 1.045 1.00 0.00 H new ATOM 0 HD21 LEU A 69 10.162 7.589 -1.399 1.00 0.00 H new ATOM 0 HD22 LEU A 69 9.457 7.621 0.235 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.588 8.373 -1.124 1.00 0.00 H new ATOM 1086 N HIS A 70 9.537 13.872 1.628 1.00 0.00 N ATOM 1087 CA HIS A 70 8.912 15.164 1.402 1.00 0.00 C ATOM 1088 C HIS A 70 7.391 15.015 1.466 1.00 0.00 C ATOM 1089 O HIS A 70 6.659 15.838 0.916 1.00 0.00 O ATOM 1090 CB HIS A 70 9.392 15.777 0.086 1.00 0.00 C ATOM 1091 CG HIS A 70 10.400 16.888 0.258 1.00 0.00 C ATOM 1092 ND1 HIS A 70 10.986 17.542 -0.812 1.00 0.00 N ATOM 1093 CD2 HIS A 70 10.919 17.454 1.386 1.00 0.00 C ATOM 1094 CE1 HIS A 70 11.818 18.457 -0.338 1.00 0.00 C ATOM 1095 NE2 HIS A 70 11.776 18.401 1.024 1.00 0.00 N ATOM 0 H HIS A 70 10.014 13.780 2.525 1.00 0.00 H new ATOM 0 HA HIS A 70 9.209 15.858 2.188 1.00 0.00 H new ATOM 0 HB2 HIS A 70 9.833 14.992 -0.529 1.00 0.00 H new ATOM 0 HB3 HIS A 70 8.530 16.163 -0.459 1.00 0.00 H new ATOM 0 HD2 HIS A 70 10.674 17.178 2.401 1.00 0.00 H new ATOM 0 HE1 HIS A 70 12.424 19.130 -0.927 1.00 0.00 H new ATOM 0 HE2 HIS A 70 12.314 18.990 1.660 1.00 0.00 H new ATOM 1104 N GLU A 71 6.958 13.961 2.142 1.00 0.00 N ATOM 1105 CA GLU A 71 5.538 13.694 2.285 1.00 0.00 C ATOM 1106 C GLU A 71 4.971 14.461 3.483 1.00 0.00 C ATOM 1107 O GLU A 71 5.651 14.633 4.492 1.00 0.00 O ATOM 1108 CB GLU A 71 5.271 12.193 2.420 1.00 0.00 C ATOM 1109 CG GLU A 71 4.206 11.733 1.424 1.00 0.00 C ATOM 1110 CD GLU A 71 3.075 12.758 1.320 1.00 0.00 C ATOM 1111 OE1 GLU A 71 3.113 13.636 0.446 1.00 0.00 O ATOM 1112 OE2 GLU A 71 2.130 12.615 2.187 1.00 0.00 O ATOM 0 H GLU A 71 7.567 13.281 2.597 1.00 0.00 H new ATOM 0 HA GLU A 71 5.032 14.040 1.383 1.00 0.00 H new ATOM 0 HB2 GLU A 71 6.195 11.639 2.251 1.00 0.00 H new ATOM 0 HB3 GLU A 71 4.945 11.968 3.436 1.00 0.00 H new ATOM 0 HG2 GLU A 71 4.659 11.585 0.444 1.00 0.00 H new ATOM 0 HG3 GLU A 71 3.802 10.770 1.737 1.00 0.00 H new ATOM 1120 N LYS A 72 3.731 14.901 3.330 1.00 0.00 N ATOM 1121 CA LYS A 72 3.065 15.646 4.386 1.00 0.00 C ATOM 1122 C LYS A 72 3.420 15.027 5.740 1.00 0.00 C ATOM 1123 O LYS A 72 3.528 13.809 5.860 1.00 0.00 O ATOM 1124 CB LYS A 72 1.561 15.725 4.119 1.00 0.00 C ATOM 1125 CG LYS A 72 1.236 16.854 3.138 1.00 0.00 C ATOM 1126 CD LYS A 72 1.266 18.213 3.839 1.00 0.00 C ATOM 1127 CE LYS A 72 0.087 19.083 3.398 1.00 0.00 C ATOM 1128 NZ LYS A 72 -0.768 19.425 4.557 1.00 0.00 N ATOM 0 H LYS A 72 3.169 14.756 2.491 1.00 0.00 H new ATOM 0 HA LYS A 72 3.415 16.678 4.405 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.209 14.775 3.715 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.030 15.889 5.057 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.955 16.847 2.319 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.252 16.688 2.700 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.233 18.070 4.919 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.203 18.722 3.613 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.456 19.995 2.929 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.502 18.555 2.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -1.319 20.280 4.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.416 18.636 4.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.170 19.599 5.390 1.00 0.00 H new ATOM 1141 N LYS A 73 3.590 15.898 6.725 1.00 0.00 N ATOM 1142 CA LYS A 73 3.929 15.453 8.066 1.00 0.00 C ATOM 1143 C LYS A 73 2.719 14.752 8.687 1.00 0.00 C ATOM 1144 O LYS A 73 1.586 14.959 8.253 1.00 0.00 O ATOM 1145 CB LYS A 73 4.458 16.621 8.900 1.00 0.00 C ATOM 1146 CG LYS A 73 5.408 16.128 9.993 1.00 0.00 C ATOM 1147 CD LYS A 73 6.739 16.882 9.944 1.00 0.00 C ATOM 1148 CE LYS A 73 7.560 16.628 11.210 1.00 0.00 C ATOM 1149 NZ LYS A 73 7.840 15.182 11.365 1.00 0.00 N ATOM 0 H LYS A 73 3.499 16.909 6.621 1.00 0.00 H new ATOM 0 HA LYS A 73 4.738 14.723 8.032 1.00 0.00 H new ATOM 0 HB2 LYS A 73 4.978 17.328 8.253 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.624 17.157 9.353 1.00 0.00 H new ATOM 0 HG2 LYS A 73 4.945 16.263 10.970 1.00 0.00 H new ATOM 0 HG3 LYS A 73 5.586 15.060 9.870 1.00 0.00 H new ATOM 0 HD2 LYS A 73 7.307 16.567 9.069 1.00 0.00 H new ATOM 0 HD3 LYS A 73 6.552 17.950 9.836 1.00 0.00 H new ATOM 0 HE2 LYS A 73 8.497 17.183 11.160 1.00 0.00 H new ATOM 0 HE3 LYS A 73 7.018 16.995 12.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 8.547 15.044 12.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.963 14.684 11.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 8.207 14.802 10.469 1.00 0.00 H new ATOM 1162 N ASP A 74 2.999 13.939 9.695 1.00 0.00 N ATOM 1163 CA ASP A 74 1.947 13.207 10.380 1.00 0.00 C ATOM 1164 C ASP A 74 0.834 14.176 10.779 1.00 0.00 C ATOM 1165 O ASP A 74 1.104 15.310 11.170 1.00 0.00 O ATOM 1166 CB ASP A 74 2.478 12.545 11.654 1.00 0.00 C ATOM 1167 CG ASP A 74 1.517 11.554 12.315 1.00 0.00 C ATOM 1168 OD1 ASP A 74 0.377 11.901 12.657 1.00 0.00 O ATOM 1169 OD2 ASP A 74 1.989 10.364 12.479 1.00 0.00 O ATOM 0 H ASP A 74 3.939 13.771 10.054 1.00 0.00 H new ATOM 0 HA ASP A 74 1.574 12.439 9.703 1.00 0.00 H new ATOM 0 HB2 ASP A 74 3.406 12.025 11.416 1.00 0.00 H new ATOM 0 HB3 ASP A 74 2.725 13.324 12.375 1.00 0.00 H new ATOM 1175 N GLY A 75 -0.395 13.694 10.667 1.00 0.00 N ATOM 1176 CA GLY A 75 -1.551 14.504 11.011 1.00 0.00 C ATOM 1177 C GLY A 75 -2.044 15.301 9.801 1.00 0.00 C ATOM 1178 O GLY A 75 -3.248 15.432 9.587 1.00 0.00 O ATOM 0 H GLY A 75 -0.615 12.752 10.343 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.352 13.863 11.379 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.293 15.187 11.820 1.00 0.00 H new ATOM 1182 N ASP A 76 -1.087 15.813 9.041 1.00 0.00 N ATOM 1183 CA ASP A 76 -1.408 16.592 7.858 1.00 0.00 C ATOM 1184 C ASP A 76 -1.799 15.647 6.719 1.00 0.00 C ATOM 1185 O ASP A 76 -2.644 15.983 5.893 1.00 0.00 O ATOM 1186 CB ASP A 76 -0.203 17.414 7.395 1.00 0.00 C ATOM 1187 CG ASP A 76 0.008 18.732 8.146 1.00 0.00 C ATOM 1188 OD1 ASP A 76 -0.373 19.809 7.662 1.00 0.00 O ATOM 1189 OD2 ASP A 76 0.598 18.620 9.287 1.00 0.00 O ATOM 0 H ASP A 76 -0.089 15.703 9.222 1.00 0.00 H new ATOM 0 HA ASP A 76 -2.228 17.264 8.111 1.00 0.00 H new ATOM 0 HB2 ASP A 76 0.695 16.805 7.500 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.317 17.632 6.333 1.00 0.00 H new ATOM 1195 N PHE A 77 -1.166 14.484 6.715 1.00 0.00 N ATOM 1196 CA PHE A 77 -1.438 13.487 5.693 1.00 0.00 C ATOM 1197 C PHE A 77 -2.840 12.899 5.860 1.00 0.00 C ATOM 1198 O PHE A 77 -3.660 12.970 4.945 1.00 0.00 O ATOM 1199 CB PHE A 77 -0.405 12.373 5.869 1.00 0.00 C ATOM 1200 CG PHE A 77 -0.697 11.118 5.043 1.00 0.00 C ATOM 1201 CD1 PHE A 77 -1.498 10.142 5.549 1.00 0.00 C ATOM 1202 CD2 PHE A 77 -0.156 10.979 3.804 1.00 0.00 C ATOM 1203 CE1 PHE A 77 -1.769 8.978 4.783 1.00 0.00 C ATOM 1204 CE2 PHE A 77 -0.427 9.814 3.036 1.00 0.00 C ATOM 1205 CZ PHE A 77 -1.228 8.839 3.542 1.00 0.00 C ATOM 0 H PHE A 77 -0.465 14.209 7.403 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.380 13.942 4.704 1.00 0.00 H new ATOM 0 HB2 PHE A 77 0.578 12.756 5.594 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -0.357 12.099 6.923 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.928 10.253 6.534 1.00 0.00 H new ATOM 0 HD2 PHE A 77 0.480 11.754 3.403 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -2.404 8.203 5.185 1.00 0.00 H new ATOM 0 HE2 PHE A 77 0.003 9.703 2.051 1.00 0.00 H new ATOM 0 HZ PHE A 77 -1.435 7.954 2.959 1.00 0.00 H new ATOM 1215 N GLN A 78 -3.073 12.331 7.034 1.00 0.00 N ATOM 1216 CA GLN A 78 -4.361 11.730 7.333 1.00 0.00 C ATOM 1217 C GLN A 78 -5.486 12.741 7.095 1.00 0.00 C ATOM 1218 O GLN A 78 -6.579 12.370 6.672 1.00 0.00 O ATOM 1219 CB GLN A 78 -4.398 11.195 8.766 1.00 0.00 C ATOM 1220 CG GLN A 78 -3.738 12.178 9.736 1.00 0.00 C ATOM 1221 CD GLN A 78 -2.557 11.526 10.457 1.00 0.00 C ATOM 1222 OE1 GLN A 78 -2.358 11.691 11.649 1.00 0.00 O ATOM 1223 NE2 GLN A 78 -1.787 10.779 9.670 1.00 0.00 N ATOM 0 H GLN A 78 -2.391 12.274 7.790 1.00 0.00 H new ATOM 0 HA GLN A 78 -4.510 10.884 6.662 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -5.431 11.021 9.066 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.886 10.234 8.812 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -3.395 13.058 9.191 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -4.471 12.521 10.467 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -2.011 10.683 8.679 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -0.973 10.302 10.057 1.00 0.00 H new ATOM 1232 N LYS A 79 -5.177 13.998 7.378 1.00 0.00 N ATOM 1233 CA LYS A 79 -6.148 15.065 7.200 1.00 0.00 C ATOM 1234 C LYS A 79 -6.531 15.158 5.722 1.00 0.00 C ATOM 1235 O LYS A 79 -7.705 15.311 5.390 1.00 0.00 O ATOM 1236 CB LYS A 79 -5.615 16.375 7.783 1.00 0.00 C ATOM 1237 CG LYS A 79 -6.135 16.594 9.205 1.00 0.00 C ATOM 1238 CD LYS A 79 -5.250 17.583 9.967 1.00 0.00 C ATOM 1239 CE LYS A 79 -5.231 17.263 11.463 1.00 0.00 C ATOM 1240 NZ LYS A 79 -5.273 18.509 12.259 1.00 0.00 N ATOM 0 H LYS A 79 -4.269 14.302 7.729 1.00 0.00 H new ATOM 0 HA LYS A 79 -7.062 14.846 7.752 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -4.525 16.358 7.789 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -5.917 17.209 7.149 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -7.158 16.969 9.168 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -6.164 15.643 9.736 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -4.235 17.548 9.571 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -5.617 18.598 9.813 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -6.083 16.633 11.717 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -4.332 16.697 11.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -5.259 18.274 13.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -4.446 19.096 12.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -6.143 19.034 12.037 1.00 0.00 H new ATOM 1253 N TRP A 80 -5.518 15.064 4.875 1.00 0.00 N ATOM 1254 CA TRP A 80 -5.733 15.137 3.439 1.00 0.00 C ATOM 1255 C TRP A 80 -6.743 14.053 3.056 1.00 0.00 C ATOM 1256 O TRP A 80 -7.728 14.330 2.376 1.00 0.00 O ATOM 1257 CB TRP A 80 -4.410 15.017 2.679 1.00 0.00 C ATOM 1258 CG TRP A 80 -4.563 15.042 1.156 1.00 0.00 C ATOM 1259 CD1 TRP A 80 -5.436 14.359 0.404 1.00 0.00 C ATOM 1260 CD2 TRP A 80 -3.780 15.820 0.227 1.00 0.00 C ATOM 1261 NE1 TRP A 80 -5.274 14.640 -0.938 1.00 0.00 N ATOM 1262 CE2 TRP A 80 -4.236 15.557 -1.048 1.00 0.00 C ATOM 1263 CE3 TRP A 80 -2.723 16.719 0.457 1.00 0.00 C ATOM 1264 CZ2 TRP A 80 -3.692 16.149 -2.194 1.00 0.00 C ATOM 1265 CZ3 TRP A 80 -2.191 17.302 -0.699 1.00 0.00 C ATOM 1266 CH2 TRP A 80 -2.638 17.047 -1.990 1.00 0.00 C ATOM 0 H TRP A 80 -4.545 14.938 5.155 1.00 0.00 H new ATOM 0 HA TRP A 80 -6.142 16.108 3.160 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -3.754 15.833 2.981 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -3.919 14.088 2.969 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -6.173 13.675 0.798 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -5.816 14.247 -1.707 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -2.352 16.942 1.446 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -4.065 15.925 -3.182 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -1.375 18.000 -0.579 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -2.174 17.539 -2.832 1.00 0.00 H new ATOM 1383 N LYS A 88 -13.020 4.340 2.032 1.00 0.00 N ATOM 1384 CA LYS A 88 -12.856 2.905 1.874 1.00 0.00 C ATOM 1385 C LYS A 88 -11.451 2.613 1.340 1.00 0.00 C ATOM 1386 O LYS A 88 -11.006 1.467 1.349 1.00 0.00 O ATOM 1387 CB LYS A 88 -13.976 2.331 1.004 1.00 0.00 C ATOM 1388 CG LYS A 88 -13.918 0.802 0.975 1.00 0.00 C ATOM 1389 CD LYS A 88 -14.958 0.231 0.009 1.00 0.00 C ATOM 1390 CE LYS A 88 -15.358 -1.191 0.410 1.00 0.00 C ATOM 1391 NZ LYS A 88 -16.340 -1.160 1.516 1.00 0.00 N ATOM 0 HA LYS A 88 -12.943 2.403 2.837 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -14.943 2.655 1.389 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -13.890 2.721 -0.010 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -12.921 0.478 0.675 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -14.093 0.409 1.977 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -15.840 0.871 -0.001 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -14.555 0.227 -1.004 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -15.784 -1.711 -0.448 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -14.474 -1.751 0.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -16.398 -2.101 1.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -16.040 -0.463 2.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -17.274 -0.894 1.144 1.00 0.00 H new ATOM 1404 N LEU A 89 -10.794 3.670 0.888 1.00 0.00 N ATOM 1405 CA LEU A 89 -9.450 3.542 0.350 1.00 0.00 C ATOM 1406 C LEU A 89 -8.474 3.252 1.493 1.00 0.00 C ATOM 1407 O LEU A 89 -8.379 4.026 2.444 1.00 0.00 O ATOM 1408 CB LEU A 89 -9.081 4.776 -0.474 1.00 0.00 C ATOM 1409 CG LEU A 89 -8.341 4.510 -1.787 1.00 0.00 C ATOM 1410 CD1 LEU A 89 -8.176 5.799 -2.594 1.00 0.00 C ATOM 1411 CD2 LEU A 89 -7.002 3.817 -1.531 1.00 0.00 C ATOM 0 H LEU A 89 -11.167 4.619 0.883 1.00 0.00 H new ATOM 0 HA LEU A 89 -9.395 2.700 -0.340 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -9.996 5.324 -0.700 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -8.463 5.428 0.143 1.00 0.00 H new ATOM 0 HG LEU A 89 -8.945 3.830 -2.388 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -7.647 5.582 -3.522 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -9.158 6.212 -2.824 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -7.605 6.522 -2.012 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -6.497 3.640 -2.480 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.378 4.451 -0.901 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -7.175 2.865 -1.029 1.00 0.00 H new ATOM 1423 N PRO A 90 -7.757 2.103 1.359 1.00 0.00 N ATOM 1424 CA PRO A 90 -6.793 1.701 2.370 1.00 0.00 C ATOM 1425 C PRO A 90 -5.522 2.548 2.281 1.00 0.00 C ATOM 1426 O PRO A 90 -4.932 2.679 1.209 1.00 0.00 O ATOM 1427 CB PRO A 90 -6.543 0.226 2.109 1.00 0.00 C ATOM 1428 CG PRO A 90 -7.016 -0.034 0.687 1.00 0.00 C ATOM 1429 CD PRO A 90 -7.844 1.161 0.247 1.00 0.00 C ATOM 0 HA PRO A 90 -7.157 1.856 3.386 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -5.486 -0.016 2.219 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -7.088 -0.394 2.821 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -6.165 -0.175 0.021 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -7.610 -0.947 0.643 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -7.453 1.597 -0.672 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -8.877 0.876 0.050 1.00 0.00 H new ATOM 1437 N VAL A 91 -5.136 3.100 3.422 1.00 0.00 N ATOM 1438 CA VAL A 91 -3.945 3.930 3.487 1.00 0.00 C ATOM 1439 C VAL A 91 -3.287 3.764 4.858 1.00 0.00 C ATOM 1440 O VAL A 91 -3.931 3.958 5.887 1.00 0.00 O ATOM 1441 CB VAL A 91 -4.301 5.384 3.166 1.00 0.00 C ATOM 1442 CG1 VAL A 91 -3.127 6.316 3.471 1.00 0.00 C ATOM 1443 CG2 VAL A 91 -4.756 5.529 1.713 1.00 0.00 C ATOM 0 H VAL A 91 -5.627 2.989 4.309 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.219 3.615 2.738 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.133 5.675 3.807 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.406 7.343 3.234 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.871 6.244 4.528 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.266 6.026 2.868 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.003 6.571 1.511 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.954 5.211 1.047 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.636 4.908 1.544 1.00 0.00 H new ATOM 1453 N VAL A 92 -2.011 3.405 4.826 1.00 0.00 N ATOM 1454 CA VAL A 92 -1.259 3.211 6.055 1.00 0.00 C ATOM 1455 C VAL A 92 -0.252 4.350 6.217 1.00 0.00 C ATOM 1456 O VAL A 92 0.290 4.851 5.231 1.00 0.00 O ATOM 1457 CB VAL A 92 -0.602 1.828 6.052 1.00 0.00 C ATOM 1458 CG1 VAL A 92 0.455 1.723 7.153 1.00 0.00 C ATOM 1459 CG2 VAL A 92 -1.652 0.724 6.192 1.00 0.00 C ATOM 0 H VAL A 92 -1.480 3.244 3.970 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.923 3.240 6.919 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.101 1.695 5.093 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.907 0.731 7.130 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.225 2.477 6.991 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.013 1.886 8.124 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.160 -0.249 6.187 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -2.192 0.853 7.130 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.353 0.780 5.359 1.00 0.00 H new ATOM 1469 N THR A 93 -0.032 4.730 7.466 1.00 0.00 N ATOM 1470 CA THR A 93 0.902 5.802 7.770 1.00 0.00 C ATOM 1471 C THR A 93 1.984 5.310 8.734 1.00 0.00 C ATOM 1472 O THR A 93 1.694 4.980 9.883 1.00 0.00 O ATOM 1473 CB THR A 93 0.100 6.987 8.311 1.00 0.00 C ATOM 1474 OG1 THR A 93 -0.908 6.385 9.118 1.00 0.00 O ATOM 1475 CG2 THR A 93 -0.684 7.713 7.216 1.00 0.00 C ATOM 0 H THR A 93 -0.484 4.315 8.281 1.00 0.00 H new ATOM 0 HA THR A 93 1.433 6.130 6.876 1.00 0.00 H new ATOM 0 HB THR A 93 0.776 7.689 8.800 1.00 0.00 H new ATOM 0 HG1 THR A 93 -0.513 5.665 9.652 1.00 0.00 H new ATOM 0 HG21 THR A 93 -1.235 8.545 7.654 1.00 0.00 H new ATOM 0 HG22 THR A 93 0.008 8.092 6.464 1.00 0.00 H new ATOM 0 HG23 THR A 93 -1.384 7.020 6.749 1.00 0.00 H new ATOM 1483 N ASP A 94 3.209 5.278 8.229 1.00 0.00 N ATOM 1484 CA ASP A 94 4.336 4.832 9.031 1.00 0.00 C ATOM 1485 C ASP A 94 5.300 6.001 9.243 1.00 0.00 C ATOM 1486 O ASP A 94 5.960 6.444 8.303 1.00 0.00 O ATOM 1487 CB ASP A 94 5.102 3.709 8.329 1.00 0.00 C ATOM 1488 CG ASP A 94 6.255 3.110 9.136 1.00 0.00 C ATOM 1489 OD1 ASP A 94 6.591 3.595 10.226 1.00 0.00 O ATOM 1490 OD2 ASP A 94 6.825 2.087 8.595 1.00 0.00 O ATOM 0 H ASP A 94 3.445 5.553 7.276 1.00 0.00 H new ATOM 0 HA ASP A 94 3.949 4.465 9.981 1.00 0.00 H new ATOM 0 HB2 ASP A 94 4.401 2.913 8.079 1.00 0.00 H new ATOM 0 HB3 ASP A 94 5.497 4.092 7.388 1.00 0.00 H new ATOM 1496 N ASN A 95 5.351 6.469 10.481 1.00 0.00 N ATOM 1497 CA ASN A 95 6.223 7.578 10.828 1.00 0.00 C ATOM 1498 C ASN A 95 7.676 7.187 10.544 1.00 0.00 C ATOM 1499 O ASN A 95 8.239 6.341 11.236 1.00 0.00 O ATOM 1500 CB ASN A 95 6.109 7.927 12.312 1.00 0.00 C ATOM 1501 CG ASN A 95 7.133 8.993 12.707 1.00 0.00 C ATOM 1502 OD1 ASN A 95 8.294 8.713 12.958 1.00 0.00 O ATOM 1503 ND2 ASN A 95 6.640 10.228 12.745 1.00 0.00 N ATOM 0 H ASN A 95 4.802 6.100 11.257 1.00 0.00 H new ATOM 0 HA ASN A 95 5.924 8.440 10.232 1.00 0.00 H new ATOM 0 HB2 ASN A 95 5.103 8.287 12.528 1.00 0.00 H new ATOM 0 HB3 ASN A 95 6.263 7.030 12.913 1.00 0.00 H new ATOM 0 HD21 ASN A 95 7.244 11.011 12.996 1.00 0.00 H new ATOM 0 HD22 ASN A 95 5.658 10.392 12.523 1.00 0.00 H new ATOM 1510 N GLY A 96 8.239 7.822 9.527 1.00 0.00 N ATOM 1511 CA GLY A 96 9.614 7.550 9.145 1.00 0.00 C ATOM 1512 C GLY A 96 9.684 6.425 8.112 1.00 0.00 C ATOM 1513 O GLY A 96 10.622 6.364 7.317 1.00 0.00 O ATOM 0 H GLY A 96 7.768 8.524 8.956 1.00 0.00 H new ATOM 0 HA2 GLY A 96 10.067 8.453 8.736 1.00 0.00 H new ATOM 0 HA3 GLY A 96 10.193 7.275 10.027 1.00 0.00 H new ATOM 1517 N GLY A 97 8.680 5.562 8.154 1.00 0.00 N ATOM 1518 CA GLY A 97 8.616 4.441 7.231 1.00 0.00 C ATOM 1519 C GLY A 97 9.659 3.381 7.584 1.00 0.00 C ATOM 1520 O GLY A 97 10.670 3.248 6.897 1.00 0.00 O ATOM 0 H GLY A 97 7.903 5.616 8.813 1.00 0.00 H new ATOM 0 HA2 GLY A 97 7.620 3.999 7.258 1.00 0.00 H new ATOM 0 HA3 GLY A 97 8.781 4.794 6.213 1.00 0.00 H new ATOM 1524 N THR A 98 9.379 2.653 8.654 1.00 0.00 N ATOM 1525 CA THR A 98 10.282 1.607 9.107 1.00 0.00 C ATOM 1526 C THR A 98 10.420 0.523 8.035 1.00 0.00 C ATOM 1527 O THR A 98 11.504 -0.026 7.839 1.00 0.00 O ATOM 1528 CB THR A 98 9.760 1.077 10.443 1.00 0.00 C ATOM 1529 OG1 THR A 98 10.265 2.002 11.404 1.00 0.00 O ATOM 1530 CG2 THR A 98 10.402 -0.256 10.835 1.00 0.00 C ATOM 0 H THR A 98 8.539 2.766 9.222 1.00 0.00 H new ATOM 0 HA THR A 98 11.288 1.994 9.266 1.00 0.00 H new ATOM 0 HB THR A 98 8.678 0.956 10.388 1.00 0.00 H new ATOM 0 HG1 THR A 98 9.972 1.735 12.300 1.00 0.00 H new ATOM 0 HG21 THR A 98 9.997 -0.588 11.791 1.00 0.00 H new ATOM 0 HG22 THR A 98 10.186 -1.002 10.071 1.00 0.00 H new ATOM 0 HG23 THR A 98 11.481 -0.128 10.923 1.00 0.00 H new ATOM 1538 N ILE A 99 9.308 0.247 7.371 1.00 0.00 N ATOM 1539 CA ILE A 99 9.293 -0.762 6.325 1.00 0.00 C ATOM 1540 C ILE A 99 9.823 -0.152 5.026 1.00 0.00 C ATOM 1541 O ILE A 99 10.549 -0.807 4.280 1.00 0.00 O ATOM 1542 CB ILE A 99 7.896 -1.373 6.192 1.00 0.00 C ATOM 1543 CG1 ILE A 99 7.391 -1.887 7.543 1.00 0.00 C ATOM 1544 CG2 ILE A 99 7.876 -2.466 5.121 1.00 0.00 C ATOM 1545 CD1 ILE A 99 5.959 -1.414 7.807 1.00 0.00 C ATOM 0 H ILE A 99 8.411 0.704 7.536 1.00 0.00 H new ATOM 0 HA ILE A 99 9.955 -1.588 6.583 1.00 0.00 H new ATOM 0 HB ILE A 99 7.210 -0.590 5.868 1.00 0.00 H new ATOM 0 HG12 ILE A 99 7.427 -2.976 7.559 1.00 0.00 H new ATOM 0 HG13 ILE A 99 8.047 -1.535 8.339 1.00 0.00 H new ATOM 0 HG21 ILE A 99 6.872 -2.884 5.046 1.00 0.00 H new ATOM 0 HG22 ILE A 99 8.164 -2.039 4.160 1.00 0.00 H new ATOM 0 HG23 ILE A 99 8.578 -3.254 5.393 1.00 0.00 H new ATOM 0 HD11 ILE A 99 5.623 -1.792 8.773 1.00 0.00 H new ATOM 0 HD12 ILE A 99 5.931 -0.324 7.814 1.00 0.00 H new ATOM 0 HD13 ILE A 99 5.302 -1.788 7.022 1.00 0.00 H new ATOM 1557 N ALA A 100 9.439 1.095 4.794 1.00 0.00 N ATOM 1558 CA ALA A 100 9.866 1.800 3.598 1.00 0.00 C ATOM 1559 C ALA A 100 11.387 1.970 3.628 1.00 0.00 C ATOM 1560 O ALA A 100 12.065 1.694 2.640 1.00 0.00 O ATOM 1561 CB ALA A 100 9.133 3.139 3.506 1.00 0.00 C ATOM 0 H ALA A 100 8.836 1.635 5.415 1.00 0.00 H new ATOM 0 HA ALA A 100 9.615 1.228 2.705 1.00 0.00 H new ATOM 0 HB1 ALA A 100 9.453 3.668 2.609 1.00 0.00 H new ATOM 0 HB2 ALA A 100 8.058 2.963 3.459 1.00 0.00 H new ATOM 0 HB3 ALA A 100 9.364 3.741 4.384 1.00 0.00 H new ATOM 1567 N GLN A 101 11.878 2.423 4.773 1.00 0.00 N ATOM 1568 CA GLN A 101 13.306 2.633 4.943 1.00 0.00 C ATOM 1569 C GLN A 101 14.029 1.290 5.062 1.00 0.00 C ATOM 1570 O GLN A 101 15.174 1.159 4.634 1.00 0.00 O ATOM 1571 CB GLN A 101 13.587 3.517 6.160 1.00 0.00 C ATOM 1572 CG GLN A 101 13.663 2.681 7.440 1.00 0.00 C ATOM 1573 CD GLN A 101 13.840 3.576 8.669 1.00 0.00 C ATOM 1574 OE1 GLN A 101 13.763 4.792 8.600 1.00 0.00 O ATOM 1575 NE2 GLN A 101 14.078 2.908 9.793 1.00 0.00 N ATOM 0 H GLN A 101 11.313 2.650 5.591 1.00 0.00 H new ATOM 0 HA GLN A 101 13.686 3.151 4.062 1.00 0.00 H new ATOM 0 HB2 GLN A 101 14.525 4.053 6.016 1.00 0.00 H new ATOM 0 HB3 GLN A 101 12.803 4.267 6.258 1.00 0.00 H new ATOM 0 HG2 GLN A 101 12.755 2.087 7.546 1.00 0.00 H new ATOM 0 HG3 GLN A 101 14.496 1.981 7.373 1.00 0.00 H new ATOM 0 HE21 GLN A 101 14.130 1.889 9.780 1.00 0.00 H new ATOM 0 HE22 GLN A 101 14.209 3.414 10.669 1.00 0.00 H new ATOM 1584 N SER A 102 13.330 0.327 5.646 1.00 0.00 N ATOM 1585 CA SER A 102 13.892 -1.001 5.826 1.00 0.00 C ATOM 1586 C SER A 102 14.056 -1.688 4.469 1.00 0.00 C ATOM 1587 O SER A 102 14.852 -2.616 4.332 1.00 0.00 O ATOM 1588 CB SER A 102 13.012 -1.850 6.747 1.00 0.00 C ATOM 1589 OG SER A 102 13.334 -3.235 6.662 1.00 0.00 O ATOM 0 H SER A 102 12.380 0.440 6.000 1.00 0.00 H new ATOM 0 HA SER A 102 14.871 -0.898 6.295 1.00 0.00 H new ATOM 0 HB2 SER A 102 13.132 -1.512 7.776 1.00 0.00 H new ATOM 0 HB3 SER A 102 11.964 -1.704 6.484 1.00 0.00 H new ATOM 0 HG SER A 102 12.752 -3.744 7.265 1.00 0.00 H new ATOM 1595 N LEU A 103 13.294 -1.205 3.499 1.00 0.00 N ATOM 1596 CA LEU A 103 13.346 -1.761 2.158 1.00 0.00 C ATOM 1597 C LEU A 103 14.086 -0.789 1.237 1.00 0.00 C ATOM 1598 O LEU A 103 14.382 -1.118 0.089 1.00 0.00 O ATOM 1599 CB LEU A 103 11.941 -2.119 1.672 1.00 0.00 C ATOM 1600 CG LEU A 103 11.401 -3.477 2.123 1.00 0.00 C ATOM 1601 CD1 LEU A 103 9.885 -3.554 1.939 1.00 0.00 C ATOM 1602 CD2 LEU A 103 12.123 -4.620 1.406 1.00 0.00 C ATOM 0 H LEU A 103 12.637 -0.434 3.615 1.00 0.00 H new ATOM 0 HA LEU A 103 13.907 -2.695 2.154 1.00 0.00 H new ATOM 0 HB2 LEU A 103 11.252 -1.345 2.012 1.00 0.00 H new ATOM 0 HB3 LEU A 103 11.937 -2.093 0.582 1.00 0.00 H new ATOM 0 HG LEU A 103 11.602 -3.586 3.189 1.00 0.00 H new ATOM 0 HD11 LEU A 103 9.528 -4.530 2.267 1.00 0.00 H new ATOM 0 HD12 LEU A 103 9.407 -2.774 2.531 1.00 0.00 H new ATOM 0 HD13 LEU A 103 9.639 -3.413 0.887 1.00 0.00 H new ATOM 0 HD21 LEU A 103 11.720 -5.574 1.745 1.00 0.00 H new ATOM 0 HD22 LEU A 103 11.976 -4.525 0.330 1.00 0.00 H new ATOM 0 HD23 LEU A 103 13.188 -4.576 1.631 1.00 0.00 H new ATOM 1614 N ASN A 104 14.363 0.391 1.774 1.00 0.00 N ATOM 1615 CA ASN A 104 15.063 1.413 1.014 1.00 0.00 C ATOM 1616 C ASN A 104 14.134 1.963 -0.069 1.00 0.00 C ATOM 1617 O ASN A 104 14.531 2.094 -1.226 1.00 0.00 O ATOM 1618 CB ASN A 104 16.302 0.835 0.326 1.00 0.00 C ATOM 1619 CG ASN A 104 17.283 1.946 -0.057 1.00 0.00 C ATOM 1620 OD1 ASN A 104 17.585 2.171 -1.217 1.00 0.00 O ATOM 1621 ND2 ASN A 104 17.765 2.623 0.982 1.00 0.00 N ATOM 0 H ASN A 104 14.115 0.662 2.726 1.00 0.00 H new ATOM 0 HA ASN A 104 15.368 2.199 1.705 1.00 0.00 H new ATOM 0 HB2 ASN A 104 16.793 0.124 0.990 1.00 0.00 H new ATOM 0 HB3 ASN A 104 16.004 0.284 -0.566 1.00 0.00 H new ATOM 0 HD21 ASN A 104 18.429 3.382 0.832 1.00 0.00 H new ATOM 0 HD22 ASN A 104 17.470 2.383 1.928 1.00 0.00 H new ATOM 1628 N ILE A 105 12.913 2.271 0.343 1.00 0.00 N ATOM 1629 CA ILE A 105 11.923 2.805 -0.577 1.00 0.00 C ATOM 1630 C ILE A 105 12.092 4.323 -0.676 1.00 0.00 C ATOM 1631 O ILE A 105 11.916 5.036 0.313 1.00 0.00 O ATOM 1632 CB ILE A 105 10.517 2.367 -0.164 1.00 0.00 C ATOM 1633 CG1 ILE A 105 10.255 0.914 -0.566 1.00 0.00 C ATOM 1634 CG2 ILE A 105 9.460 3.317 -0.729 1.00 0.00 C ATOM 1635 CD1 ILE A 105 8.824 0.499 -0.222 1.00 0.00 C ATOM 0 H ILE A 105 12.586 2.161 1.303 1.00 0.00 H new ATOM 0 HA ILE A 105 12.075 2.402 -1.578 1.00 0.00 H new ATOM 0 HB ILE A 105 10.448 2.418 0.923 1.00 0.00 H new ATOM 0 HG12 ILE A 105 10.425 0.793 -1.636 1.00 0.00 H new ATOM 0 HG13 ILE A 105 10.960 0.259 -0.055 1.00 0.00 H new ATOM 0 HG21 ILE A 105 8.469 2.983 -0.421 1.00 0.00 H new ATOM 0 HG22 ILE A 105 9.637 4.324 -0.352 1.00 0.00 H new ATOM 0 HG23 ILE A 105 9.519 3.321 -1.817 1.00 0.00 H new ATOM 0 HD11 ILE A 105 8.665 -0.538 -0.518 1.00 0.00 H new ATOM 0 HD12 ILE A 105 8.665 0.598 0.852 1.00 0.00 H new ATOM 0 HD13 ILE A 105 8.121 1.140 -0.754 1.00 0.00 H new ATOM 1647 N SER A 106 12.428 4.772 -1.875 1.00 0.00 N ATOM 1648 CA SER A 106 12.622 6.193 -2.115 1.00 0.00 C ATOM 1649 C SER A 106 12.158 6.552 -3.528 1.00 0.00 C ATOM 1650 O SER A 106 12.643 7.516 -4.117 1.00 0.00 O ATOM 1651 CB SER A 106 14.086 6.590 -1.920 1.00 0.00 C ATOM 1652 OG SER A 106 14.978 5.661 -2.531 1.00 0.00 O ATOM 0 H SER A 106 12.571 4.178 -2.692 1.00 0.00 H new ATOM 0 HA SER A 106 12.025 6.747 -1.391 1.00 0.00 H new ATOM 0 HB2 SER A 106 14.252 7.582 -2.341 1.00 0.00 H new ATOM 0 HB3 SER A 106 14.305 6.655 -0.854 1.00 0.00 H new ATOM 0 HG SER A 106 15.903 5.951 -2.385 1.00 0.00 H new ATOM 1658 N VAL A 107 11.223 5.757 -4.029 1.00 0.00 N ATOM 1659 CA VAL A 107 10.689 5.980 -5.363 1.00 0.00 C ATOM 1660 C VAL A 107 9.214 5.573 -5.390 1.00 0.00 C ATOM 1661 O VAL A 107 8.852 4.502 -4.905 1.00 0.00 O ATOM 1662 CB VAL A 107 11.534 5.233 -6.396 1.00 0.00 C ATOM 1663 CG1 VAL A 107 11.872 3.822 -5.911 1.00 0.00 C ATOM 1664 CG2 VAL A 107 10.829 5.191 -7.754 1.00 0.00 C ATOM 0 H VAL A 107 10.822 4.959 -3.536 1.00 0.00 H new ATOM 0 HA VAL A 107 10.740 7.037 -5.624 1.00 0.00 H new ATOM 0 HB VAL A 107 12.470 5.778 -6.520 1.00 0.00 H new ATOM 0 HG11 VAL A 107 12.473 3.313 -6.664 1.00 0.00 H new ATOM 0 HG12 VAL A 107 12.433 3.882 -4.979 1.00 0.00 H new ATOM 0 HG13 VAL A 107 10.951 3.264 -5.744 1.00 0.00 H new ATOM 0 HG21 VAL A 107 11.451 4.654 -8.470 1.00 0.00 H new ATOM 0 HG22 VAL A 107 9.871 4.681 -7.651 1.00 0.00 H new ATOM 0 HG23 VAL A 107 10.662 6.208 -8.109 1.00 0.00 H new ATOM 1674 N TYR A 108 8.402 6.452 -5.960 1.00 0.00 N ATOM 1675 CA TYR A 108 6.975 6.198 -6.057 1.00 0.00 C ATOM 1676 C TYR A 108 6.470 6.435 -7.482 1.00 0.00 C ATOM 1677 O TYR A 108 7.054 7.221 -8.227 1.00 0.00 O ATOM 1678 CB TYR A 108 6.304 7.202 -5.117 1.00 0.00 C ATOM 1679 CG TYR A 108 6.606 6.968 -3.636 1.00 0.00 C ATOM 1680 CD1 TYR A 108 6.903 5.696 -3.185 1.00 0.00 C ATOM 1681 CD2 TYR A 108 6.583 8.026 -2.751 1.00 0.00 C ATOM 1682 CE1 TYR A 108 7.188 5.475 -1.792 1.00 0.00 C ATOM 1683 CE2 TYR A 108 6.869 7.804 -1.356 1.00 0.00 C ATOM 1684 CZ TYR A 108 7.157 6.540 -0.946 1.00 0.00 C ATOM 1685 OH TYR A 108 7.426 6.331 0.372 1.00 0.00 O ATOM 0 H TYR A 108 8.705 7.340 -6.359 1.00 0.00 H new ATOM 0 HA TYR A 108 6.751 5.164 -5.795 1.00 0.00 H new ATOM 0 HB2 TYR A 108 6.625 8.208 -5.388 1.00 0.00 H new ATOM 0 HB3 TYR A 108 5.225 7.160 -5.268 1.00 0.00 H new ATOM 0 HD1 TYR A 108 6.921 4.868 -3.878 1.00 0.00 H new ATOM 0 HD2 TYR A 108 6.351 9.020 -3.103 1.00 0.00 H new ATOM 0 HE1 TYR A 108 7.421 4.486 -1.426 1.00 0.00 H new ATOM 0 HE2 TYR A 108 6.855 8.623 -0.652 1.00 0.00 H new ATOM 0 HH TYR A 108 7.369 7.181 0.856 1.00 0.00 H new ATOM 1695 N PRO A 109 5.364 5.724 -7.825 1.00 0.00 N ATOM 1696 CA PRO A 109 4.735 4.815 -6.883 1.00 0.00 C ATOM 1697 C PRO A 109 5.555 3.532 -6.727 1.00 0.00 C ATOM 1698 O PRO A 109 6.404 3.229 -7.564 1.00 0.00 O ATOM 1699 CB PRO A 109 3.344 4.567 -7.443 1.00 0.00 C ATOM 1700 CG PRO A 109 3.407 4.970 -8.908 1.00 0.00 C ATOM 1701 CD PRO A 109 4.685 5.765 -9.118 1.00 0.00 C ATOM 0 HA PRO A 109 4.676 5.228 -5.876 1.00 0.00 H new ATOM 0 HB2 PRO A 109 3.062 3.520 -7.338 1.00 0.00 H new ATOM 0 HB3 PRO A 109 2.597 5.154 -6.908 1.00 0.00 H new ATOM 0 HG2 PRO A 109 3.397 4.087 -9.547 1.00 0.00 H new ATOM 0 HG3 PRO A 109 2.537 5.568 -9.177 1.00 0.00 H new ATOM 0 HD2 PRO A 109 5.301 5.325 -9.903 1.00 0.00 H new ATOM 0 HD3 PRO A 109 4.469 6.790 -9.419 1.00 0.00 H new ATOM 1709 N SER A 110 5.271 2.813 -5.652 1.00 0.00 N ATOM 1710 CA SER A 110 5.971 1.569 -5.376 1.00 0.00 C ATOM 1711 C SER A 110 4.976 0.496 -4.933 1.00 0.00 C ATOM 1712 O SER A 110 3.847 0.808 -4.559 1.00 0.00 O ATOM 1713 CB SER A 110 7.047 1.769 -4.306 1.00 0.00 C ATOM 1714 OG SER A 110 8.363 1.650 -4.845 1.00 0.00 O ATOM 0 H SER A 110 4.565 3.068 -4.961 1.00 0.00 H new ATOM 0 HA SER A 110 6.463 1.243 -6.292 1.00 0.00 H new ATOM 0 HB2 SER A 110 6.929 2.753 -3.852 1.00 0.00 H new ATOM 0 HB3 SER A 110 6.912 1.033 -3.513 1.00 0.00 H new ATOM 0 HG SER A 110 8.751 2.542 -4.961 1.00 0.00 H new ATOM 1720 N TRP A 111 5.431 -0.747 -4.990 1.00 0.00 N ATOM 1721 CA TRP A 111 4.595 -1.869 -4.600 1.00 0.00 C ATOM 1722 C TRP A 111 5.465 -2.862 -3.827 1.00 0.00 C ATOM 1723 O TRP A 111 6.628 -3.070 -4.169 1.00 0.00 O ATOM 1724 CB TRP A 111 3.912 -2.494 -5.817 1.00 0.00 C ATOM 1725 CG TRP A 111 2.883 -1.583 -6.489 1.00 0.00 C ATOM 1726 CD1 TRP A 111 3.098 -0.633 -7.409 1.00 0.00 C ATOM 1727 CD2 TRP A 111 1.458 -1.577 -6.257 1.00 0.00 C ATOM 1728 NE1 TRP A 111 1.922 -0.016 -7.784 1.00 0.00 N ATOM 1729 CE2 TRP A 111 0.893 -0.608 -7.061 1.00 0.00 C ATOM 1730 CE3 TRP A 111 0.673 -2.362 -5.395 1.00 0.00 C ATOM 1731 CZ2 TRP A 111 -0.480 -0.335 -7.082 1.00 0.00 C ATOM 1732 CZ3 TRP A 111 -0.697 -2.078 -5.428 1.00 0.00 C ATOM 1733 CH2 TRP A 111 -1.282 -1.107 -6.232 1.00 0.00 C ATOM 0 H TRP A 111 6.369 -1.002 -5.301 1.00 0.00 H new ATOM 0 HA TRP A 111 3.785 -1.538 -3.951 1.00 0.00 H new ATOM 0 HB2 TRP A 111 4.673 -2.766 -6.548 1.00 0.00 H new ATOM 0 HB3 TRP A 111 3.420 -3.417 -5.510 1.00 0.00 H new ATOM 0 HD1 TRP A 111 4.070 -0.382 -7.807 1.00 0.00 H new ATOM 0 HE1 TRP A 111 1.826 0.736 -8.466 1.00 0.00 H new ATOM 0 HE3 TRP A 111 1.094 -3.125 -4.757 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 -0.898 0.430 -7.719 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 -1.345 -2.654 -4.784 1.00 0.00 H new ATOM 0 HH2 TRP A 111 -2.350 -0.948 -6.202 1.00 0.00 H new ATOM 1744 N ALA A 112 4.869 -3.448 -2.799 1.00 0.00 N ATOM 1745 CA ALA A 112 5.576 -4.413 -1.975 1.00 0.00 C ATOM 1746 C ALA A 112 4.667 -5.617 -1.715 1.00 0.00 C ATOM 1747 O ALA A 112 3.508 -5.454 -1.338 1.00 0.00 O ATOM 1748 CB ALA A 112 6.038 -3.741 -0.680 1.00 0.00 C ATOM 0 H ALA A 112 3.904 -3.273 -2.518 1.00 0.00 H new ATOM 0 HA ALA A 112 6.467 -4.776 -2.488 1.00 0.00 H new ATOM 0 HB1 ALA A 112 6.568 -4.466 -0.063 1.00 0.00 H new ATOM 0 HB2 ALA A 112 6.704 -2.911 -0.918 1.00 0.00 H new ATOM 0 HB3 ALA A 112 5.171 -3.366 -0.135 1.00 0.00 H new ATOM 1754 N LEU A 113 5.230 -6.799 -1.926 1.00 0.00 N ATOM 1755 CA LEU A 113 4.485 -8.029 -1.720 1.00 0.00 C ATOM 1756 C LEU A 113 5.013 -8.735 -0.470 1.00 0.00 C ATOM 1757 O LEU A 113 6.204 -9.028 -0.374 1.00 0.00 O ATOM 1758 CB LEU A 113 4.523 -8.897 -2.979 1.00 0.00 C ATOM 1759 CG LEU A 113 3.850 -10.266 -2.870 1.00 0.00 C ATOM 1760 CD1 LEU A 113 2.326 -10.129 -2.866 1.00 0.00 C ATOM 1761 CD2 LEU A 113 4.338 -11.205 -3.976 1.00 0.00 C ATOM 0 H LEU A 113 6.192 -6.930 -2.237 1.00 0.00 H new ATOM 0 HA LEU A 113 3.432 -7.811 -1.544 1.00 0.00 H new ATOM 0 HB2 LEU A 113 4.050 -8.345 -3.791 1.00 0.00 H new ATOM 0 HB3 LEU A 113 5.565 -9.048 -3.261 1.00 0.00 H new ATOM 0 HG LEU A 113 4.135 -10.713 -1.918 1.00 0.00 H new ATOM 0 HD11 LEU A 113 1.872 -11.117 -2.788 1.00 0.00 H new ATOM 0 HD12 LEU A 113 2.018 -9.520 -2.016 1.00 0.00 H new ATOM 0 HD13 LEU A 113 2.001 -9.653 -3.791 1.00 0.00 H new ATOM 0 HD21 LEU A 113 3.845 -12.172 -3.876 1.00 0.00 H new ATOM 0 HD22 LEU A 113 4.101 -10.775 -4.949 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.417 -11.338 -3.891 1.00 0.00 H new ATOM 1773 N ILE A 114 4.100 -8.988 0.457 1.00 0.00 N ATOM 1774 CA ILE A 114 4.459 -9.655 1.696 1.00 0.00 C ATOM 1775 C ILE A 114 3.815 -11.043 1.730 1.00 0.00 C ATOM 1776 O ILE A 114 2.592 -11.166 1.666 1.00 0.00 O ATOM 1777 CB ILE A 114 4.097 -8.782 2.899 1.00 0.00 C ATOM 1778 CG1 ILE A 114 4.647 -7.363 2.732 1.00 0.00 C ATOM 1779 CG2 ILE A 114 4.563 -9.425 4.206 1.00 0.00 C ATOM 1780 CD1 ILE A 114 6.177 -7.369 2.697 1.00 0.00 C ATOM 0 H ILE A 114 3.113 -8.743 0.374 1.00 0.00 H new ATOM 0 HA ILE A 114 5.538 -9.802 1.749 1.00 0.00 H new ATOM 0 HB ILE A 114 3.011 -8.705 2.948 1.00 0.00 H new ATOM 0 HG12 ILE A 114 4.260 -6.925 1.812 1.00 0.00 H new ATOM 0 HG13 ILE A 114 4.301 -6.736 3.554 1.00 0.00 H new ATOM 0 HG21 ILE A 114 4.292 -8.783 5.044 1.00 0.00 H new ATOM 0 HG22 ILE A 114 4.084 -10.397 4.324 1.00 0.00 H new ATOM 0 HG23 ILE A 114 5.645 -9.554 4.182 1.00 0.00 H new ATOM 0 HD11 ILE A 114 6.542 -6.349 2.578 1.00 0.00 H new ATOM 0 HD12 ILE A 114 6.561 -7.785 3.629 1.00 0.00 H new ATOM 0 HD13 ILE A 114 6.519 -7.977 1.860 1.00 0.00 H new ATOM 1792 N GLY A 115 4.667 -12.053 1.830 1.00 0.00 N ATOM 1793 CA GLY A 115 4.197 -13.427 1.872 1.00 0.00 C ATOM 1794 C GLY A 115 3.021 -13.575 2.840 1.00 0.00 C ATOM 1795 O GLY A 115 2.696 -12.643 3.574 1.00 0.00 O ATOM 0 H GLY A 115 5.680 -11.947 1.883 1.00 0.00 H new ATOM 0 HA2 GLY A 115 3.893 -13.742 0.874 1.00 0.00 H new ATOM 0 HA3 GLY A 115 5.011 -14.084 2.179 1.00 0.00 H new ATOM 1799 N LYS A 116 2.417 -14.753 2.811 1.00 0.00 N ATOM 1800 CA LYS A 116 1.284 -15.035 3.677 1.00 0.00 C ATOM 1801 C LYS A 116 1.792 -15.364 5.082 1.00 0.00 C ATOM 1802 O LYS A 116 1.002 -15.651 5.981 1.00 0.00 O ATOM 1803 CB LYS A 116 0.405 -16.129 3.070 1.00 0.00 C ATOM 1804 CG LYS A 116 1.160 -17.458 2.986 1.00 0.00 C ATOM 1805 CD LYS A 116 0.212 -18.642 3.190 1.00 0.00 C ATOM 1806 CE LYS A 116 0.375 -19.673 2.073 1.00 0.00 C ATOM 1807 NZ LYS A 116 0.592 -21.023 2.640 1.00 0.00 N ATOM 0 H LYS A 116 2.690 -15.524 2.202 1.00 0.00 H new ATOM 0 HA LYS A 116 0.644 -14.157 3.766 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -0.494 -16.255 3.674 1.00 0.00 H new ATOM 0 HB3 LYS A 116 0.080 -15.828 2.074 1.00 0.00 H new ATOM 0 HG2 LYS A 116 1.649 -17.542 2.015 1.00 0.00 H new ATOM 0 HG3 LYS A 116 1.946 -17.482 3.741 1.00 0.00 H new ATOM 0 HD2 LYS A 116 0.411 -19.110 4.154 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -0.818 -18.287 3.215 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -0.513 -19.676 1.441 1.00 0.00 H new ATOM 0 HE3 LYS A 116 1.217 -19.399 1.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 0.701 -21.711 1.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 1.452 -21.020 3.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -0.224 -21.288 3.227 1.00 0.00 H new ATOM 1820 N ASP A 117 3.108 -15.311 5.229 1.00 0.00 N ATOM 1821 CA ASP A 117 3.731 -15.599 6.509 1.00 0.00 C ATOM 1822 C ASP A 117 4.147 -14.287 7.176 1.00 0.00 C ATOM 1823 O ASP A 117 4.678 -14.291 8.286 1.00 0.00 O ATOM 1824 CB ASP A 117 4.984 -16.458 6.331 1.00 0.00 C ATOM 1825 CG ASP A 117 4.771 -17.962 6.521 1.00 0.00 C ATOM 1826 OD1 ASP A 117 4.310 -18.660 5.607 1.00 0.00 O ATOM 1827 OD2 ASP A 117 5.103 -18.418 7.680 1.00 0.00 O ATOM 0 H ASP A 117 3.760 -15.073 4.482 1.00 0.00 H new ATOM 0 HA ASP A 117 3.009 -16.138 7.122 1.00 0.00 H new ATOM 0 HB2 ASP A 117 5.385 -16.287 5.332 1.00 0.00 H new ATOM 0 HB3 ASP A 117 5.741 -16.121 7.040 1.00 0.00 H new ATOM 1833 N GLY A 118 3.891 -13.194 6.472 1.00 0.00 N ATOM 1834 CA GLY A 118 4.233 -11.877 6.981 1.00 0.00 C ATOM 1835 C GLY A 118 5.710 -11.561 6.735 1.00 0.00 C ATOM 1836 O GLY A 118 6.348 -10.894 7.547 1.00 0.00 O ATOM 0 H GLY A 118 3.450 -13.194 5.552 1.00 0.00 H new ATOM 0 HA2 GLY A 118 3.611 -11.124 6.498 1.00 0.00 H new ATOM 0 HA3 GLY A 118 4.020 -11.829 8.049 1.00 0.00 H new ATOM 1840 N ASP A 119 6.208 -12.055 5.612 1.00 0.00 N ATOM 1841 CA ASP A 119 7.598 -11.833 5.250 1.00 0.00 C ATOM 1842 C ASP A 119 7.662 -11.194 3.860 1.00 0.00 C ATOM 1843 O ASP A 119 6.709 -11.282 3.087 1.00 0.00 O ATOM 1844 CB ASP A 119 8.371 -13.151 5.199 1.00 0.00 C ATOM 1845 CG ASP A 119 8.152 -13.983 3.933 1.00 0.00 C ATOM 1846 OD1 ASP A 119 9.105 -14.305 3.208 1.00 0.00 O ATOM 1847 OD2 ASP A 119 6.926 -14.304 3.698 1.00 0.00 O ATOM 0 H ASP A 119 5.675 -12.608 4.941 1.00 0.00 H new ATOM 0 HA ASP A 119 8.043 -11.183 6.003 1.00 0.00 H new ATOM 0 HB2 ASP A 119 9.435 -12.934 5.293 1.00 0.00 H new ATOM 0 HB3 ASP A 119 8.091 -13.753 6.064 1.00 0.00 H new ATOM 1853 N VAL A 120 8.796 -10.565 3.585 1.00 0.00 N ATOM 1854 CA VAL A 120 8.996 -9.911 2.303 1.00 0.00 C ATOM 1855 C VAL A 120 9.027 -10.968 1.196 1.00 0.00 C ATOM 1856 O VAL A 120 9.904 -11.831 1.183 1.00 0.00 O ATOM 1857 CB VAL A 120 10.261 -9.053 2.345 1.00 0.00 C ATOM 1858 CG1 VAL A 120 10.670 -8.606 0.940 1.00 0.00 C ATOM 1859 CG2 VAL A 120 10.076 -7.849 3.271 1.00 0.00 C ATOM 0 H VAL A 120 9.585 -10.495 4.228 1.00 0.00 H new ATOM 0 HA VAL A 120 8.169 -9.236 2.085 1.00 0.00 H new ATOM 0 HB VAL A 120 11.067 -9.666 2.748 1.00 0.00 H new ATOM 0 HG11 VAL A 120 11.572 -7.998 1.000 1.00 0.00 H new ATOM 0 HG12 VAL A 120 10.864 -9.482 0.321 1.00 0.00 H new ATOM 0 HG13 VAL A 120 9.866 -8.019 0.496 1.00 0.00 H new ATOM 0 HG21 VAL A 120 10.990 -7.255 3.283 1.00 0.00 H new ATOM 0 HG22 VAL A 120 9.250 -7.236 2.910 1.00 0.00 H new ATOM 0 HG23 VAL A 120 9.856 -8.197 4.280 1.00 0.00 H new ATOM 1869 N GLN A 121 8.062 -10.865 0.296 1.00 0.00 N ATOM 1870 CA GLN A 121 7.968 -11.801 -0.812 1.00 0.00 C ATOM 1871 C GLN A 121 8.717 -11.257 -2.030 1.00 0.00 C ATOM 1872 O GLN A 121 9.683 -11.864 -2.490 1.00 0.00 O ATOM 1873 CB GLN A 121 6.507 -12.099 -1.156 1.00 0.00 C ATOM 1874 CG GLN A 121 6.351 -13.518 -1.705 1.00 0.00 C ATOM 1875 CD GLN A 121 4.894 -13.978 -1.634 1.00 0.00 C ATOM 1876 OE1 GLN A 121 3.989 -13.213 -1.347 1.00 0.00 O ATOM 1877 NE2 GLN A 121 4.720 -15.267 -1.912 1.00 0.00 N ATOM 0 H GLN A 121 7.337 -10.147 0.311 1.00 0.00 H new ATOM 0 HA GLN A 121 8.435 -12.739 -0.511 1.00 0.00 H new ATOM 0 HB2 GLN A 121 5.889 -11.980 -0.266 1.00 0.00 H new ATOM 0 HB3 GLN A 121 6.149 -11.379 -1.892 1.00 0.00 H new ATOM 0 HG2 GLN A 121 6.696 -13.552 -2.738 1.00 0.00 H new ATOM 0 HG3 GLN A 121 6.980 -14.203 -1.136 1.00 0.00 H new ATOM 0 HE21 GLN A 121 5.523 -15.851 -2.145 1.00 0.00 H new ATOM 0 HE22 GLN A 121 3.784 -15.671 -1.892 1.00 0.00 H new ATOM 1886 N ARG A 122 8.244 -10.120 -2.519 1.00 0.00 N ATOM 1887 CA ARG A 122 8.858 -9.489 -3.674 1.00 0.00 C ATOM 1888 C ARG A 122 8.685 -7.970 -3.602 1.00 0.00 C ATOM 1889 O ARG A 122 7.792 -7.475 -2.916 1.00 0.00 O ATOM 1890 CB ARG A 122 8.239 -10.005 -4.976 1.00 0.00 C ATOM 1891 CG ARG A 122 9.162 -9.733 -6.165 1.00 0.00 C ATOM 1892 CD ARG A 122 9.274 -10.965 -7.066 1.00 0.00 C ATOM 1893 NE ARG A 122 7.974 -11.229 -7.724 1.00 0.00 N ATOM 1894 CZ ARG A 122 7.530 -10.568 -8.814 1.00 0.00 C ATOM 1895 NH1 ARG A 122 8.278 -9.596 -9.377 1.00 0.00 N ATOM 1896 NH2 ARG A 122 6.353 -10.886 -9.319 1.00 0.00 N ATOM 0 H ARG A 122 7.442 -9.619 -2.136 1.00 0.00 H new ATOM 0 HA ARG A 122 9.919 -9.738 -3.665 1.00 0.00 H new ATOM 0 HB2 ARG A 122 8.050 -11.075 -4.894 1.00 0.00 H new ATOM 0 HB3 ARG A 122 7.275 -9.523 -5.141 1.00 0.00 H new ATOM 0 HG2 ARG A 122 8.780 -8.890 -6.741 1.00 0.00 H new ATOM 0 HG3 ARG A 122 10.151 -9.450 -5.805 1.00 0.00 H new ATOM 0 HD2 ARG A 122 10.047 -10.807 -7.818 1.00 0.00 H new ATOM 0 HD3 ARG A 122 9.576 -11.831 -6.477 1.00 0.00 H new ATOM 0 HE ARG A 122 7.377 -11.956 -7.329 1.00 0.00 H new ATOM 0 HH11 ARG A 122 9.186 -9.356 -8.979 1.00 0.00 H new ATOM 0 HH12 ARG A 122 7.935 -9.101 -10.201 1.00 0.00 H new ATOM 0 HH21 ARG A 122 5.794 -11.621 -8.886 1.00 0.00 H new ATOM 0 HH22 ARG A 122 6.002 -10.397 -10.142 1.00 0.00 H new ATOM 1909 N ILE A 123 9.553 -7.274 -4.321 1.00 0.00 N ATOM 1910 CA ILE A 123 9.509 -5.822 -4.349 1.00 0.00 C ATOM 1911 C ILE A 123 9.364 -5.348 -5.796 1.00 0.00 C ATOM 1912 O ILE A 123 9.962 -5.924 -6.704 1.00 0.00 O ATOM 1913 CB ILE A 123 10.723 -5.235 -3.627 1.00 0.00 C ATOM 1914 CG1 ILE A 123 10.560 -3.730 -3.413 1.00 0.00 C ATOM 1915 CG2 ILE A 123 12.018 -5.571 -4.370 1.00 0.00 C ATOM 1916 CD1 ILE A 123 10.729 -3.364 -1.937 1.00 0.00 C ATOM 0 H ILE A 123 10.292 -7.689 -4.889 1.00 0.00 H new ATOM 0 HA ILE A 123 8.638 -5.457 -3.806 1.00 0.00 H new ATOM 0 HB ILE A 123 10.788 -5.695 -2.641 1.00 0.00 H new ATOM 0 HG12 ILE A 123 11.296 -3.192 -4.011 1.00 0.00 H new ATOM 0 HG13 ILE A 123 9.576 -3.414 -3.759 1.00 0.00 H new ATOM 0 HG21 ILE A 123 12.866 -5.142 -3.836 1.00 0.00 H new ATOM 0 HG22 ILE A 123 12.135 -6.653 -4.427 1.00 0.00 H new ATOM 0 HG23 ILE A 123 11.977 -5.157 -5.378 1.00 0.00 H new ATOM 0 HD11 ILE A 123 10.608 -2.288 -1.813 1.00 0.00 H new ATOM 0 HD12 ILE A 123 9.976 -3.884 -1.345 1.00 0.00 H new ATOM 0 HD13 ILE A 123 11.723 -3.659 -1.601 1.00 0.00 H new ATOM 1928 N VAL A 124 8.569 -4.302 -5.965 1.00 0.00 N ATOM 1929 CA VAL A 124 8.340 -3.742 -7.288 1.00 0.00 C ATOM 1930 C VAL A 124 8.445 -2.218 -7.217 1.00 0.00 C ATOM 1931 O VAL A 124 7.693 -1.573 -6.489 1.00 0.00 O ATOM 1932 CB VAL A 124 6.993 -4.223 -7.831 1.00 0.00 C ATOM 1933 CG1 VAL A 124 6.690 -3.584 -9.187 1.00 0.00 C ATOM 1934 CG2 VAL A 124 6.952 -5.751 -7.924 1.00 0.00 C ATOM 0 H VAL A 124 8.075 -3.827 -5.209 1.00 0.00 H new ATOM 0 HA VAL A 124 9.101 -4.088 -7.987 1.00 0.00 H new ATOM 0 HB VAL A 124 6.219 -3.909 -7.131 1.00 0.00 H new ATOM 0 HG11 VAL A 124 5.727 -3.942 -9.551 1.00 0.00 H new ATOM 0 HG12 VAL A 124 6.656 -2.500 -9.079 1.00 0.00 H new ATOM 0 HG13 VAL A 124 7.470 -3.854 -9.899 1.00 0.00 H new ATOM 0 HG21 VAL A 124 5.984 -6.066 -8.313 1.00 0.00 H new ATOM 0 HG22 VAL A 124 7.741 -6.096 -8.592 1.00 0.00 H new ATOM 0 HG23 VAL A 124 7.102 -6.180 -6.933 1.00 0.00 H new ATOM 1944 N LYS A 125 9.388 -1.687 -7.983 1.00 0.00 N ATOM 1945 CA LYS A 125 9.602 -0.250 -8.017 1.00 0.00 C ATOM 1946 C LYS A 125 9.024 0.317 -9.316 1.00 0.00 C ATOM 1947 O LYS A 125 9.556 0.065 -10.396 1.00 0.00 O ATOM 1948 CB LYS A 125 11.082 0.076 -7.808 1.00 0.00 C ATOM 1949 CG LYS A 125 11.442 0.062 -6.320 1.00 0.00 C ATOM 1950 CD LYS A 125 12.957 -0.006 -6.124 1.00 0.00 C ATOM 1951 CE LYS A 125 13.306 -0.596 -4.755 1.00 0.00 C ATOM 1952 NZ LYS A 125 14.774 -0.717 -4.603 1.00 0.00 N ATOM 0 H LYS A 125 10.012 -2.226 -8.584 1.00 0.00 H new ATOM 0 HA LYS A 125 9.074 0.234 -7.195 1.00 0.00 H new ATOM 0 HB2 LYS A 125 11.697 -0.649 -8.341 1.00 0.00 H new ATOM 0 HB3 LYS A 125 11.306 1.056 -8.231 1.00 0.00 H new ATOM 0 HG2 LYS A 125 11.049 0.958 -5.839 1.00 0.00 H new ATOM 0 HG3 LYS A 125 10.970 -0.793 -5.836 1.00 0.00 H new ATOM 0 HD2 LYS A 125 13.402 -0.615 -6.911 1.00 0.00 H new ATOM 0 HD3 LYS A 125 13.384 0.993 -6.213 1.00 0.00 H new ATOM 0 HE2 LYS A 125 12.904 0.039 -3.965 1.00 0.00 H new ATOM 0 HE3 LYS A 125 12.841 -1.576 -4.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 14.994 -1.119 -3.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 15.150 -1.341 -5.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 15.210 0.223 -4.687 1.00 0.00 H new ATOM 1965 N GLY A 126 7.947 1.072 -9.168 1.00 0.00 N ATOM 1966 CA GLY A 126 7.292 1.676 -10.315 1.00 0.00 C ATOM 1967 C GLY A 126 5.771 1.536 -10.217 1.00 0.00 C ATOM 1968 O GLY A 126 5.240 1.241 -9.147 1.00 0.00 O ATOM 0 H GLY A 126 7.511 1.280 -8.270 1.00 0.00 H new ATOM 0 HA2 GLY A 126 7.560 2.731 -10.377 1.00 0.00 H new ATOM 0 HA3 GLY A 126 7.646 1.203 -11.231 1.00 0.00 H new ATOM 1972 N SER A 127 5.115 1.753 -11.346 1.00 0.00 N ATOM 1973 CA SER A 127 3.666 1.655 -11.400 1.00 0.00 C ATOM 1974 C SER A 127 3.255 0.455 -12.257 1.00 0.00 C ATOM 1975 O SER A 127 3.852 0.201 -13.302 1.00 0.00 O ATOM 1976 CB SER A 127 3.047 2.940 -11.954 1.00 0.00 C ATOM 1977 OG SER A 127 3.866 4.078 -11.703 1.00 0.00 O ATOM 0 H SER A 127 5.559 1.996 -12.231 1.00 0.00 H new ATOM 0 HA SER A 127 3.294 1.514 -10.385 1.00 0.00 H new ATOM 0 HB2 SER A 127 2.892 2.834 -13.028 1.00 0.00 H new ATOM 0 HB3 SER A 127 2.066 3.093 -11.504 1.00 0.00 H new ATOM 0 HG SER A 127 3.437 4.878 -12.073 1.00 0.00 H new ATOM 1983 N ILE A 128 2.238 -0.249 -11.783 1.00 0.00 N ATOM 1984 CA ILE A 128 1.741 -1.415 -12.493 1.00 0.00 C ATOM 1985 C ILE A 128 0.296 -1.163 -12.929 1.00 0.00 C ATOM 1986 O ILE A 128 -0.364 -0.261 -12.414 1.00 0.00 O ATOM 1987 CB ILE A 128 1.915 -2.675 -11.642 1.00 0.00 C ATOM 1988 CG1 ILE A 128 1.368 -2.464 -10.229 1.00 0.00 C ATOM 1989 CG2 ILE A 128 3.377 -3.129 -11.628 1.00 0.00 C ATOM 1990 CD1 ILE A 128 0.994 -3.796 -9.580 1.00 0.00 C ATOM 0 H ILE A 128 1.745 -0.035 -10.916 1.00 0.00 H new ATOM 0 HA ILE A 128 2.323 -1.587 -13.398 1.00 0.00 H new ATOM 0 HB ILE A 128 1.332 -3.476 -12.096 1.00 0.00 H new ATOM 0 HG12 ILE A 128 2.114 -1.955 -9.619 1.00 0.00 H new ATOM 0 HG13 ILE A 128 0.492 -1.816 -10.268 1.00 0.00 H new ATOM 0 HG21 ILE A 128 3.474 -4.026 -11.016 1.00 0.00 H new ATOM 0 HG22 ILE A 128 3.700 -3.347 -12.646 1.00 0.00 H new ATOM 0 HG23 ILE A 128 4.000 -2.337 -11.212 1.00 0.00 H new ATOM 0 HD11 ILE A 128 0.608 -3.616 -8.577 1.00 0.00 H new ATOM 0 HD12 ILE A 128 0.230 -4.291 -10.179 1.00 0.00 H new ATOM 0 HD13 ILE A 128 1.877 -4.432 -9.521 1.00 0.00 H new ATOM 2002 N ASN A 129 -0.153 -1.975 -13.875 1.00 0.00 N ATOM 2003 CA ASN A 129 -1.508 -1.851 -14.386 1.00 0.00 C ATOM 2004 C ASN A 129 -2.345 -3.033 -13.893 1.00 0.00 C ATOM 2005 O ASN A 129 -1.801 -4.017 -13.391 1.00 0.00 O ATOM 2006 CB ASN A 129 -1.523 -1.868 -15.916 1.00 0.00 C ATOM 2007 CG ASN A 129 -0.459 -2.821 -16.464 1.00 0.00 C ATOM 2008 OD1 ASN A 129 -0.586 -4.033 -16.409 1.00 0.00 O ATOM 2009 ND2 ASN A 129 0.595 -2.207 -16.996 1.00 0.00 N ATOM 0 H ASN A 129 0.397 -2.721 -14.301 1.00 0.00 H new ATOM 0 HA ASN A 129 -1.917 -0.905 -14.031 1.00 0.00 H new ATOM 0 HB2 ASN A 129 -2.507 -2.174 -16.270 1.00 0.00 H new ATOM 0 HB3 ASN A 129 -1.346 -0.862 -16.296 1.00 0.00 H new ATOM 0 HD21 ASN A 129 1.360 -2.755 -17.390 1.00 0.00 H new ATOM 0 HD22 ASN A 129 0.638 -1.188 -17.010 1.00 0.00 H new ATOM 2016 N GLU A 130 -3.652 -2.900 -14.054 1.00 0.00 N ATOM 2017 CA GLU A 130 -4.570 -3.944 -13.631 1.00 0.00 C ATOM 2018 C GLU A 130 -4.076 -5.310 -14.111 1.00 0.00 C ATOM 2019 O GLU A 130 -4.061 -6.273 -13.346 1.00 0.00 O ATOM 2020 CB GLU A 130 -5.987 -3.666 -14.134 1.00 0.00 C ATOM 2021 CG GLU A 130 -6.932 -4.812 -13.772 1.00 0.00 C ATOM 2022 CD GLU A 130 -7.821 -5.187 -14.960 1.00 0.00 C ATOM 2023 OE1 GLU A 130 -7.313 -5.648 -15.993 1.00 0.00 O ATOM 2024 OE2 GLU A 130 -9.083 -4.984 -14.783 1.00 0.00 O ATOM 0 H GLU A 130 -4.099 -2.084 -14.472 1.00 0.00 H new ATOM 0 HA GLU A 130 -4.603 -3.953 -12.542 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -6.355 -2.736 -13.700 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -5.973 -3.530 -15.215 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -6.353 -5.680 -13.459 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -7.554 -4.521 -12.925 1.00 0.00 H new ATOM 2032 N ALA A 131 -3.682 -5.350 -15.375 1.00 0.00 N ATOM 2033 CA ALA A 131 -3.189 -6.583 -15.966 1.00 0.00 C ATOM 2034 C ALA A 131 -2.084 -7.160 -15.082 1.00 0.00 C ATOM 2035 O ALA A 131 -2.137 -8.328 -14.696 1.00 0.00 O ATOM 2036 CB ALA A 131 -2.710 -6.308 -17.394 1.00 0.00 C ATOM 0 H ALA A 131 -3.694 -4.549 -16.006 1.00 0.00 H new ATOM 0 HA ALA A 131 -3.985 -7.326 -16.026 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -2.340 -7.232 -17.838 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -3.540 -5.926 -17.989 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -1.909 -5.569 -17.373 1.00 0.00 H new ATOM 2042 N GLN A 132 -1.104 -6.317 -14.785 1.00 0.00 N ATOM 2043 CA GLN A 132 0.012 -6.730 -13.953 1.00 0.00 C ATOM 2044 C GLN A 132 -0.498 -7.377 -12.663 1.00 0.00 C ATOM 2045 O GLN A 132 -0.007 -8.429 -12.256 1.00 0.00 O ATOM 2046 CB GLN A 132 0.933 -5.548 -13.645 1.00 0.00 C ATOM 2047 CG GLN A 132 2.281 -5.705 -14.351 1.00 0.00 C ATOM 2048 CD GLN A 132 2.892 -4.342 -14.676 1.00 0.00 C ATOM 2049 OE1 GLN A 132 2.205 -3.381 -14.976 1.00 0.00 O ATOM 2050 NE2 GLN A 132 4.220 -4.312 -14.600 1.00 0.00 N ATOM 0 H GLN A 132 -1.061 -5.350 -15.107 1.00 0.00 H new ATOM 0 HA GLN A 132 0.595 -7.470 -14.502 1.00 0.00 H new ATOM 0 HB2 GLN A 132 0.458 -4.620 -13.963 1.00 0.00 H new ATOM 0 HB3 GLN A 132 1.089 -5.474 -12.569 1.00 0.00 H new ATOM 0 HG2 GLN A 132 2.963 -6.272 -13.717 1.00 0.00 H new ATOM 0 HG3 GLN A 132 2.150 -6.277 -15.270 1.00 0.00 H new ATOM 0 HE21 GLN A 132 4.735 -5.154 -14.343 1.00 0.00 H new ATOM 0 HE22 GLN A 132 4.723 -3.447 -14.799 1.00 0.00 H new ATOM 2059 N ALA A 133 -1.476 -6.722 -12.056 1.00 0.00 N ATOM 2060 CA ALA A 133 -2.058 -7.221 -10.821 1.00 0.00 C ATOM 2061 C ALA A 133 -2.522 -8.663 -11.028 1.00 0.00 C ATOM 2062 O ALA A 133 -2.192 -9.545 -10.236 1.00 0.00 O ATOM 2063 CB ALA A 133 -3.198 -6.299 -10.385 1.00 0.00 C ATOM 0 H ALA A 133 -1.881 -5.850 -12.396 1.00 0.00 H new ATOM 0 HA ALA A 133 -1.317 -7.224 -10.021 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -3.635 -6.673 -9.459 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -2.811 -5.293 -10.223 1.00 0.00 H new ATOM 0 HB3 ALA A 133 -3.962 -6.273 -11.162 1.00 0.00 H new ATOM 2069 N LEU A 134 -3.282 -8.860 -12.095 1.00 0.00 N ATOM 2070 CA LEU A 134 -3.793 -10.183 -12.415 1.00 0.00 C ATOM 2071 C LEU A 134 -2.622 -11.139 -12.637 1.00 0.00 C ATOM 2072 O LEU A 134 -2.555 -12.199 -12.017 1.00 0.00 O ATOM 2073 CB LEU A 134 -4.761 -10.110 -13.599 1.00 0.00 C ATOM 2074 CG LEU A 134 -5.801 -8.989 -13.546 1.00 0.00 C ATOM 2075 CD1 LEU A 134 -6.890 -9.203 -14.601 1.00 0.00 C ATOM 2076 CD2 LEU A 134 -6.386 -8.849 -12.140 1.00 0.00 C ATOM 0 H LEU A 134 -3.556 -8.127 -12.749 1.00 0.00 H new ATOM 0 HA LEU A 134 -4.373 -10.579 -11.581 1.00 0.00 H new ATOM 0 HB2 LEU A 134 -4.178 -9.995 -14.513 1.00 0.00 H new ATOM 0 HB3 LEU A 134 -5.286 -11.062 -13.673 1.00 0.00 H new ATOM 0 HG LEU A 134 -5.303 -8.049 -13.782 1.00 0.00 H new ATOM 0 HD11 LEU A 134 -7.617 -8.393 -14.543 1.00 0.00 H new ATOM 0 HD12 LEU A 134 -6.438 -9.215 -15.593 1.00 0.00 H new ATOM 0 HD13 LEU A 134 -7.391 -10.154 -14.419 1.00 0.00 H new ATOM 0 HD21 LEU A 134 -7.122 -8.045 -12.131 1.00 0.00 H new ATOM 0 HD22 LEU A 134 -6.866 -9.784 -11.851 1.00 0.00 H new ATOM 0 HD23 LEU A 134 -5.587 -8.618 -11.435 1.00 0.00 H new