USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 564 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 45 TYR OH : rot 70:sc= 0.381 USER MOD Set 1.2: A 48 GLN : amide:sc= 0.285 K(o=0.67,f=-1.5!) USER MOD Set 2.1: A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -2.11! K(o=-2.1!,f=-0.85) USER MOD Single : A 11 SER OG : rot 180:sc= 0.00371 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.0751 X(o=-0.075,f=-0.47) USER MOD Single : A 27 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0514) USER MOD Single : A 33 GLN : amide:sc= -6.75! C(o=-6.7!,f=-4.4!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.581 K(o=-0.58,f=-0.04) USER MOD Single : A 57 THR OG1 : rot 90:sc= 0.291 USER MOD Single : A 59 SER OG : rot -160:sc=-0.00561 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc= -1.72 X(o=-1.7,f=-1.6) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl -158:sc= -1.05 (180deg=-1.42) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 97 N LYS A 4 6.752 2.812 -0.411 1.00 0.00 N ATOM 98 CA LYS A 4 5.350 2.754 -0.015 1.00 0.00 C ATOM 99 C LYS A 4 4.635 1.602 -0.716 1.00 0.00 C ATOM 100 O LYS A 4 5.157 1.020 -1.667 1.00 0.00 O ATOM 101 CB LYS A 4 4.651 4.075 -0.342 1.00 0.00 C ATOM 102 CG LYS A 4 5.276 5.278 0.342 1.00 0.00 C ATOM 103 CD LYS A 4 4.540 6.561 -0.005 1.00 0.00 C ATOM 104 CE LYS A 4 5.257 7.783 0.549 1.00 0.00 C ATOM 105 NZ LYS A 4 4.516 9.042 0.256 1.00 0.00 N ATOM 0 HA LYS A 4 5.309 2.585 1.061 1.00 0.00 H new ATOM 0 HB2 LYS A 4 4.671 4.230 -1.421 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.603 4.004 -0.049 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.263 5.131 1.422 1.00 0.00 H new ATOM 0 HG3 LYS A 4 6.321 5.365 0.044 1.00 0.00 H new ATOM 0 HD2 LYS A 4 4.452 6.650 -1.088 1.00 0.00 H new ATOM 0 HD3 LYS A 4 3.527 6.520 0.395 1.00 0.00 H new ATOM 0 HE2 LYS A 4 5.378 7.675 1.627 1.00 0.00 H new ATOM 0 HE3 LYS A 4 6.257 7.842 0.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 5.037 9.851 0.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 4.422 9.158 -0.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 3.570 8.997 0.687 1.00 0.00 H new ATOM 119 N LEU A 5 3.437 1.279 -0.241 1.00 0.00 N ATOM 120 CA LEU A 5 2.649 0.197 -0.822 1.00 0.00 C ATOM 121 C LEU A 5 1.312 0.716 -1.340 1.00 0.00 C ATOM 122 O LEU A 5 0.653 1.526 -0.687 1.00 0.00 O ATOM 123 CB LEU A 5 2.416 -0.904 0.213 1.00 0.00 C ATOM 124 CG LEU A 5 3.648 -1.360 0.997 1.00 0.00 C ATOM 125 CD1 LEU A 5 3.233 -2.099 2.259 1.00 0.00 C ATOM 126 CD2 LEU A 5 4.536 -2.239 0.130 1.00 0.00 C ATOM 0 H LEU A 5 2.990 1.751 0.545 1.00 0.00 H new ATOM 0 HA LEU A 5 3.208 -0.216 -1.662 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.667 -0.555 0.923 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.993 -1.770 -0.296 1.00 0.00 H new ATOM 0 HG LEU A 5 4.218 -0.477 1.288 1.00 0.00 H new ATOM 0 HD11 LEU A 5 4.122 -2.416 2.804 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.638 -1.438 2.889 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.641 -2.974 1.990 1.00 0.00 H new ATOM 0 HD21 LEU A 5 5.407 -2.554 0.704 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.976 -3.117 -0.191 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.862 -1.676 -0.745 1.00 0.00 H new ATOM 138 N TYR A 6 0.915 0.243 -2.516 1.00 0.00 N ATOM 139 CA TYR A 6 -0.344 0.659 -3.122 1.00 0.00 C ATOM 140 C TYR A 6 -1.466 -0.314 -2.770 1.00 0.00 C ATOM 141 O TYR A 6 -1.322 -1.527 -2.926 1.00 0.00 O ATOM 142 CB TYR A 6 -0.196 0.755 -4.642 1.00 0.00 C ATOM 143 CG TYR A 6 -1.500 0.588 -5.389 1.00 0.00 C ATOM 144 CD1 TYR A 6 -2.083 -0.664 -5.537 1.00 0.00 C ATOM 145 CD2 TYR A 6 -2.149 1.683 -5.947 1.00 0.00 C ATOM 146 CE1 TYR A 6 -3.274 -0.822 -6.220 1.00 0.00 C ATOM 147 CE2 TYR A 6 -3.341 1.535 -6.630 1.00 0.00 C ATOM 148 CZ TYR A 6 -3.899 0.280 -6.763 1.00 0.00 C ATOM 149 OH TYR A 6 -5.085 0.129 -7.444 1.00 0.00 O ATOM 0 H TYR A 6 1.447 -0.429 -3.069 1.00 0.00 H new ATOM 0 HA TYR A 6 -0.601 1.641 -2.726 1.00 0.00 H new ATOM 0 HB2 TYR A 6 0.237 1.722 -4.896 1.00 0.00 H new ATOM 0 HB3 TYR A 6 0.506 -0.007 -4.979 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -1.597 -1.529 -5.111 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -1.714 2.666 -5.845 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -3.712 -1.803 -6.328 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -3.833 2.396 -7.057 1.00 0.00 H new ATOM 0 HH TYR A 6 -5.393 1.003 -7.762 1.00 0.00 H new ATOM 159 N ILE A 7 -2.581 0.228 -2.294 1.00 0.00 N ATOM 160 CA ILE A 7 -3.728 -0.590 -1.920 1.00 0.00 C ATOM 161 C ILE A 7 -4.881 -0.402 -2.902 1.00 0.00 C ATOM 162 O ILE A 7 -5.297 0.723 -3.178 1.00 0.00 O ATOM 163 CB ILE A 7 -4.219 -0.256 -0.499 1.00 0.00 C ATOM 164 CG1 ILE A 7 -3.034 -0.158 0.463 1.00 0.00 C ATOM 165 CG2 ILE A 7 -5.212 -1.306 -0.021 1.00 0.00 C ATOM 166 CD1 ILE A 7 -3.397 0.429 1.810 1.00 0.00 C ATOM 0 H ILE A 7 -2.715 1.230 -2.158 1.00 0.00 H new ATOM 0 HA ILE A 7 -3.397 -1.628 -1.946 1.00 0.00 H new ATOM 0 HB ILE A 7 -4.725 0.709 -0.522 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.613 -1.152 0.610 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.255 0.454 0.007 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -5.550 -1.056 0.985 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -6.068 -1.331 -0.696 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.730 -2.284 -0.009 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.509 0.469 2.441 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.791 1.436 1.674 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -4.153 -0.195 2.287 1.00 0.00 H new ATOM 178 N GLY A 8 -5.394 -1.512 -3.423 1.00 0.00 N ATOM 179 CA GLY A 8 -6.495 -1.448 -4.366 1.00 0.00 C ATOM 180 C GLY A 8 -7.764 -2.068 -3.818 1.00 0.00 C ATOM 181 O GLY A 8 -7.736 -2.760 -2.801 1.00 0.00 O ATOM 0 H GLY A 8 -5.067 -2.454 -3.209 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -6.686 -0.407 -4.627 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -6.212 -1.960 -5.286 1.00 0.00 H new ATOM 185 N ASN A 9 -8.882 -1.818 -4.493 1.00 0.00 N ATOM 186 CA ASN A 9 -10.169 -2.356 -4.066 1.00 0.00 C ATOM 187 C ASN A 9 -10.600 -1.743 -2.737 1.00 0.00 C ATOM 188 O ASN A 9 -10.952 -2.457 -1.797 1.00 0.00 O ATOM 189 CB ASN A 9 -10.092 -3.878 -3.938 1.00 0.00 C ATOM 190 CG ASN A 9 -11.429 -4.548 -4.188 1.00 0.00 C ATOM 191 OD1 ASN A 9 -11.810 -4.790 -5.334 1.00 0.00 O ATOM 192 ND2 ASN A 9 -12.150 -4.851 -3.114 1.00 0.00 N ATOM 0 H ASN A 9 -8.923 -1.247 -5.337 1.00 0.00 H new ATOM 0 HA ASN A 9 -10.911 -2.100 -4.822 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -9.358 -4.263 -4.646 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -9.739 -4.138 -2.940 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -13.058 -5.303 -3.220 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -11.795 -4.632 -2.183 1.00 0.00 H new ATOM 199 N LEU A 10 -10.571 -0.417 -2.666 1.00 0.00 N ATOM 200 CA LEU A 10 -10.960 0.293 -1.452 1.00 0.00 C ATOM 201 C LEU A 10 -12.248 1.080 -1.670 1.00 0.00 C ATOM 202 O LEU A 10 -12.265 2.073 -2.397 1.00 0.00 O ATOM 203 CB LEU A 10 -9.840 1.237 -1.009 1.00 0.00 C ATOM 204 CG LEU A 10 -8.572 0.571 -0.477 1.00 0.00 C ATOM 205 CD1 LEU A 10 -7.478 1.605 -0.258 1.00 0.00 C ATOM 206 CD2 LEU A 10 -8.863 -0.180 0.813 1.00 0.00 C ATOM 0 H LEU A 10 -10.282 0.188 -3.434 1.00 0.00 H new ATOM 0 HA LEU A 10 -11.136 -0.445 -0.669 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.567 1.867 -1.855 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -10.233 1.896 -0.234 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.224 -0.146 -1.220 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.583 1.113 0.121 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.249 2.098 -1.203 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.818 2.347 0.465 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -7.948 -0.647 1.176 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -9.237 0.517 1.563 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -9.613 -0.948 0.625 1.00 0.00 H new ATOM 218 N SER A 11 -13.324 0.630 -1.034 1.00 0.00 N ATOM 219 CA SER A 11 -14.618 1.291 -1.159 1.00 0.00 C ATOM 220 C SER A 11 -14.474 2.802 -1.004 1.00 0.00 C ATOM 221 O SER A 11 -13.581 3.299 -0.317 1.00 0.00 O ATOM 222 CB SER A 11 -15.595 0.751 -0.113 1.00 0.00 C ATOM 223 OG SER A 11 -16.561 1.727 0.235 1.00 0.00 O ATOM 0 H SER A 11 -13.326 -0.190 -0.427 1.00 0.00 H new ATOM 0 HA SER A 11 -15.010 1.081 -2.154 1.00 0.00 H new ATOM 0 HB2 SER A 11 -16.094 -0.137 -0.501 1.00 0.00 H new ATOM 0 HB3 SER A 11 -15.046 0.444 0.777 1.00 0.00 H new ATOM 0 HG SER A 11 -17.174 1.356 0.904 1.00 0.00 H new ATOM 229 N PRO A 12 -15.374 3.553 -1.658 1.00 0.00 N ATOM 230 CA PRO A 12 -15.368 5.017 -1.608 1.00 0.00 C ATOM 231 C PRO A 12 -15.772 5.553 -0.238 1.00 0.00 C ATOM 232 O PRO A 12 -15.695 6.753 0.017 1.00 0.00 O ATOM 233 CB PRO A 12 -16.404 5.412 -2.663 1.00 0.00 C ATOM 234 CG PRO A 12 -17.319 4.238 -2.753 1.00 0.00 C ATOM 235 CD PRO A 12 -16.465 3.028 -2.495 1.00 0.00 C ATOM 0 HA PRO A 12 -14.375 5.427 -1.791 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -16.943 6.313 -2.371 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -15.932 5.621 -3.623 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -18.122 4.312 -2.020 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -17.788 4.183 -3.736 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -17.023 2.244 -1.983 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -16.088 2.597 -3.422 1.00 0.00 H new ATOM 243 N ALA A 13 -16.203 4.652 0.640 1.00 0.00 N ATOM 244 CA ALA A 13 -16.617 5.034 1.984 1.00 0.00 C ATOM 245 C ALA A 13 -15.472 4.870 2.978 1.00 0.00 C ATOM 246 O ALA A 13 -15.518 5.403 4.087 1.00 0.00 O ATOM 247 CB ALA A 13 -17.820 4.210 2.421 1.00 0.00 C ATOM 0 H ALA A 13 -16.274 3.654 0.444 1.00 0.00 H new ATOM 0 HA ALA A 13 -16.900 6.087 1.965 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -18.118 4.506 3.427 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -18.647 4.381 1.732 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -17.557 3.152 2.417 1.00 0.00 H new ATOM 253 N VAL A 14 -14.445 4.129 2.575 1.00 0.00 N ATOM 254 CA VAL A 14 -13.288 3.894 3.429 1.00 0.00 C ATOM 255 C VAL A 14 -12.653 5.211 3.867 1.00 0.00 C ATOM 256 O VAL A 14 -12.629 6.183 3.112 1.00 0.00 O ATOM 257 CB VAL A 14 -12.226 3.038 2.715 1.00 0.00 C ATOM 258 CG1 VAL A 14 -10.980 2.904 3.576 1.00 0.00 C ATOM 259 CG2 VAL A 14 -12.792 1.670 2.366 1.00 0.00 C ATOM 0 H VAL A 14 -14.391 3.680 1.660 1.00 0.00 H new ATOM 0 HA VAL A 14 -13.647 3.356 4.306 1.00 0.00 H new ATOM 0 HB VAL A 14 -11.945 3.538 1.788 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -10.241 2.296 3.054 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -10.564 3.893 3.771 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -11.240 2.428 4.521 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -12.028 1.078 1.862 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -13.102 1.161 3.279 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -13.652 1.789 1.707 1.00 0.00 H new ATOM 269 N THR A 15 -12.139 5.233 5.093 1.00 0.00 N ATOM 270 CA THR A 15 -11.504 6.430 5.633 1.00 0.00 C ATOM 271 C THR A 15 -10.106 6.121 6.156 1.00 0.00 C ATOM 272 O THR A 15 -9.804 4.984 6.518 1.00 0.00 O ATOM 273 CB THR A 15 -12.341 7.046 6.769 1.00 0.00 C ATOM 274 OG1 THR A 15 -12.717 6.029 7.706 1.00 0.00 O ATOM 275 CG2 THR A 15 -13.587 7.720 6.219 1.00 0.00 C ATOM 0 H THR A 15 -12.150 4.437 5.730 1.00 0.00 H new ATOM 0 HA THR A 15 -11.433 7.147 4.815 1.00 0.00 H new ATOM 0 HB THR A 15 -11.733 7.798 7.272 1.00 0.00 H new ATOM 0 HG1 THR A 15 -13.248 6.428 8.427 1.00 0.00 H new ATOM 0 HG21 THR A 15 -14.162 8.148 7.040 1.00 0.00 H new ATOM 0 HG22 THR A 15 -13.297 8.512 5.528 1.00 0.00 H new ATOM 0 HG23 THR A 15 -14.197 6.985 5.694 1.00 0.00 H new ATOM 283 N ALA A 16 -9.255 7.142 6.194 1.00 0.00 N ATOM 284 CA ALA A 16 -7.889 6.979 6.677 1.00 0.00 C ATOM 285 C ALA A 16 -7.868 6.342 8.061 1.00 0.00 C ATOM 286 O ALA A 16 -6.998 5.527 8.367 1.00 0.00 O ATOM 287 CB ALA A 16 -7.175 8.323 6.701 1.00 0.00 C ATOM 0 H ALA A 16 -9.487 8.090 5.896 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.364 6.313 5.992 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.156 8.187 7.064 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -7.149 8.739 5.694 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -7.708 9.006 7.363 1.00 0.00 H new ATOM 293 N ASP A 17 -8.830 6.720 8.896 1.00 0.00 N ATOM 294 CA ASP A 17 -8.922 6.184 10.250 1.00 0.00 C ATOM 295 C ASP A 17 -9.104 4.669 10.224 1.00 0.00 C ATOM 296 O ASP A 17 -8.518 3.950 11.033 1.00 0.00 O ATOM 297 CB ASP A 17 -10.083 6.837 11.002 1.00 0.00 C ATOM 298 CG ASP A 17 -10.101 8.344 10.841 1.00 0.00 C ATOM 299 OD1 ASP A 17 -10.357 8.819 9.714 1.00 0.00 O ATOM 300 OD2 ASP A 17 -9.859 9.050 11.843 1.00 0.00 O ATOM 0 H ASP A 17 -9.557 7.395 8.659 1.00 0.00 H new ATOM 0 HA ASP A 17 -7.990 6.411 10.768 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -11.025 6.424 10.640 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -10.012 6.588 12.061 1.00 0.00 H new ATOM 305 N ASP A 18 -9.921 4.193 9.290 1.00 0.00 N ATOM 306 CA ASP A 18 -10.180 2.764 9.158 1.00 0.00 C ATOM 307 C ASP A 18 -8.926 2.022 8.706 1.00 0.00 C ATOM 308 O ASP A 18 -8.635 0.925 9.184 1.00 0.00 O ATOM 309 CB ASP A 18 -11.317 2.521 8.165 1.00 0.00 C ATOM 310 CG ASP A 18 -12.685 2.647 8.807 1.00 0.00 C ATOM 311 OD1 ASP A 18 -12.838 3.493 9.714 1.00 0.00 O ATOM 312 OD2 ASP A 18 -13.601 1.903 8.403 1.00 0.00 O ATOM 0 H ASP A 18 -10.415 4.776 8.614 1.00 0.00 H new ATOM 0 HA ASP A 18 -10.473 2.381 10.136 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -11.237 3.234 7.344 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -11.212 1.526 7.734 1.00 0.00 H new ATOM 317 N LEU A 19 -8.187 2.629 7.784 1.00 0.00 N ATOM 318 CA LEU A 19 -6.964 2.026 7.267 1.00 0.00 C ATOM 319 C LEU A 19 -5.922 1.872 8.371 1.00 0.00 C ATOM 320 O LEU A 19 -5.319 0.810 8.524 1.00 0.00 O ATOM 321 CB LEU A 19 -6.394 2.876 6.130 1.00 0.00 C ATOM 322 CG LEU A 19 -6.837 2.493 4.717 1.00 0.00 C ATOM 323 CD1 LEU A 19 -6.128 3.352 3.684 1.00 0.00 C ATOM 324 CD2 LEU A 19 -6.574 1.016 4.459 1.00 0.00 C ATOM 0 H LEU A 19 -8.413 3.538 7.379 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.211 1.036 6.885 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.671 3.915 6.307 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.306 2.824 6.175 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.909 2.671 4.631 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.456 3.065 2.685 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.368 4.401 3.857 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.051 3.207 3.768 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.895 0.760 3.449 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.508 0.813 4.563 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.130 0.416 5.179 1.00 0.00 H new ATOM 336 N ARG A 20 -5.720 2.937 9.140 1.00 0.00 N ATOM 337 CA ARG A 20 -4.754 2.919 10.232 1.00 0.00 C ATOM 338 C ARG A 20 -5.203 1.971 11.340 1.00 0.00 C ATOM 339 O ARG A 20 -4.402 1.207 11.876 1.00 0.00 O ATOM 340 CB ARG A 20 -4.564 4.328 10.796 1.00 0.00 C ATOM 341 CG ARG A 20 -5.815 4.897 11.445 1.00 0.00 C ATOM 342 CD ARG A 20 -5.561 6.279 12.028 1.00 0.00 C ATOM 343 NE ARG A 20 -4.804 6.216 13.276 1.00 0.00 N ATOM 344 CZ ARG A 20 -4.171 7.257 13.804 1.00 0.00 C ATOM 345 NH1 ARG A 20 -4.204 8.435 13.198 1.00 0.00 N ATOM 346 NH2 ARG A 20 -3.504 7.120 14.943 1.00 0.00 N ATOM 0 H ARG A 20 -6.212 3.823 9.027 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.803 2.562 9.837 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.759 4.311 11.531 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -4.247 4.993 9.992 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.615 4.954 10.707 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.155 4.225 12.233 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.016 6.884 11.303 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -6.514 6.778 12.207 1.00 0.00 H new ATOM 0 HE ARG A 20 -4.759 5.324 13.768 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.717 8.544 12.323 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -3.717 9.232 13.606 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -3.478 6.215 15.413 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -3.018 7.920 15.349 1.00 0.00 H new ATOM 360 N GLN A 21 -6.488 2.029 11.676 1.00 0.00 N ATOM 361 CA GLN A 21 -7.042 1.177 12.721 1.00 0.00 C ATOM 362 C GLN A 21 -7.021 -0.288 12.297 1.00 0.00 C ATOM 363 O GLN A 21 -6.733 -1.174 13.102 1.00 0.00 O ATOM 364 CB GLN A 21 -8.473 1.605 13.051 1.00 0.00 C ATOM 365 CG GLN A 21 -8.554 2.890 13.858 1.00 0.00 C ATOM 366 CD GLN A 21 -8.126 2.703 15.300 1.00 0.00 C ATOM 367 OE1 GLN A 21 -6.936 2.722 15.614 1.00 0.00 O ATOM 368 NE2 GLN A 21 -9.098 2.520 16.187 1.00 0.00 N ATOM 0 H GLN A 21 -7.164 2.656 11.240 1.00 0.00 H new ATOM 0 HA GLN A 21 -6.423 1.287 13.611 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -9.028 1.734 12.122 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -8.963 0.806 13.607 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -7.924 3.647 13.392 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -9.577 3.266 13.833 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -10.071 2.511 15.882 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -8.871 2.388 17.173 1.00 0.00 H new ATOM 377 N LEU A 22 -7.329 -0.536 11.029 1.00 0.00 N ATOM 378 CA LEU A 22 -7.346 -1.895 10.497 1.00 0.00 C ATOM 379 C LEU A 22 -5.972 -2.545 10.622 1.00 0.00 C ATOM 380 O LEU A 22 -5.851 -3.678 11.089 1.00 0.00 O ATOM 381 CB LEU A 22 -7.787 -1.884 9.033 1.00 0.00 C ATOM 382 CG LEU A 22 -8.039 -3.253 8.398 1.00 0.00 C ATOM 383 CD1 LEU A 22 -9.380 -3.811 8.847 1.00 0.00 C ATOM 384 CD2 LEU A 22 -7.980 -3.155 6.881 1.00 0.00 C ATOM 0 H LEU A 22 -7.570 0.186 10.350 1.00 0.00 H new ATOM 0 HA LEU A 22 -8.058 -2.479 11.080 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.701 -1.295 8.954 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.025 -1.369 8.448 1.00 0.00 H new ATOM 0 HG LEU A 22 -7.256 -3.936 8.729 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.542 -4.785 8.385 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -9.385 -3.918 9.932 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -10.176 -3.130 8.546 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.161 -4.138 6.446 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.741 -2.457 6.532 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.995 -2.800 6.577 1.00 0.00 H new ATOM 396 N PHE A 23 -4.940 -1.821 10.203 1.00 0.00 N ATOM 397 CA PHE A 23 -3.574 -2.327 10.269 1.00 0.00 C ATOM 398 C PHE A 23 -3.162 -2.592 11.714 1.00 0.00 C ATOM 399 O PHE A 23 -2.492 -3.583 12.008 1.00 0.00 O ATOM 400 CB PHE A 23 -2.606 -1.332 9.625 1.00 0.00 C ATOM 401 CG PHE A 23 -2.443 -1.526 8.145 1.00 0.00 C ATOM 402 CD1 PHE A 23 -3.512 -1.334 7.285 1.00 0.00 C ATOM 403 CD2 PHE A 23 -1.219 -1.902 7.614 1.00 0.00 C ATOM 404 CE1 PHE A 23 -3.364 -1.513 5.922 1.00 0.00 C ATOM 405 CE2 PHE A 23 -1.066 -2.081 6.252 1.00 0.00 C ATOM 406 CZ PHE A 23 -2.140 -1.887 5.406 1.00 0.00 C ATOM 0 H PHE A 23 -5.023 -0.882 9.814 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.535 -3.268 9.720 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -2.961 -0.319 9.814 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -1.631 -1.423 10.105 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -4.472 -1.041 7.684 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -0.376 -2.057 8.271 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -4.205 -1.360 5.262 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -0.107 -2.372 5.850 1.00 0.00 H new ATOM 0 HZ PHE A 23 -2.022 -2.028 4.342 1.00 0.00 H new ATOM 416 N GLY A 24 -3.566 -1.699 12.612 1.00 0.00 N ATOM 417 CA GLY A 24 -3.228 -1.854 14.015 1.00 0.00 C ATOM 418 C GLY A 24 -3.816 -3.115 14.617 1.00 0.00 C ATOM 419 O GLY A 24 -3.194 -3.753 15.467 1.00 0.00 O ATOM 0 H GLY A 24 -4.121 -0.872 12.393 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.144 -1.874 14.124 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.588 -0.988 14.570 1.00 0.00 H new ATOM 423 N ASP A 25 -5.016 -3.476 14.177 1.00 0.00 N ATOM 424 CA ASP A 25 -5.688 -4.669 14.678 1.00 0.00 C ATOM 425 C ASP A 25 -4.853 -5.917 14.406 1.00 0.00 C ATOM 426 O ASP A 25 -4.808 -6.836 15.224 1.00 0.00 O ATOM 427 CB ASP A 25 -7.068 -4.812 14.034 1.00 0.00 C ATOM 428 CG ASP A 25 -7.934 -5.834 14.743 1.00 0.00 C ATOM 429 OD1 ASP A 25 -7.731 -6.043 15.957 1.00 0.00 O ATOM 430 OD2 ASP A 25 -8.815 -6.425 14.084 1.00 0.00 O ATOM 0 H ASP A 25 -5.544 -2.959 13.474 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.809 -4.563 15.756 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -7.571 -3.845 14.042 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -6.950 -5.102 12.990 1.00 0.00 H new ATOM 435 N ARG A 26 -4.195 -5.943 13.252 1.00 0.00 N ATOM 436 CA ARG A 26 -3.364 -7.079 12.871 1.00 0.00 C ATOM 437 C ARG A 26 -1.963 -6.949 13.460 1.00 0.00 C ATOM 438 O ARG A 26 -1.020 -7.589 12.995 1.00 0.00 O ATOM 439 CB ARG A 26 -3.280 -7.188 11.347 1.00 0.00 C ATOM 440 CG ARG A 26 -4.368 -8.057 10.737 1.00 0.00 C ATOM 441 CD ARG A 26 -5.734 -7.399 10.848 1.00 0.00 C ATOM 442 NE ARG A 26 -6.347 -7.627 12.154 1.00 0.00 N ATOM 443 CZ ARG A 26 -6.948 -8.762 12.495 1.00 0.00 C ATOM 444 NH1 ARG A 26 -7.015 -9.766 11.633 1.00 0.00 N ATOM 445 NH2 ARG A 26 -7.483 -8.893 13.703 1.00 0.00 N ATOM 0 H ARG A 26 -4.221 -5.190 12.564 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.824 -7.984 13.269 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -3.341 -6.189 10.916 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -2.306 -7.594 11.073 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -4.138 -8.247 9.688 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -4.387 -9.024 11.239 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -5.635 -6.327 10.676 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -6.388 -7.788 10.068 1.00 0.00 H new ATOM 0 HE ARG A 26 -6.312 -6.874 12.841 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -6.604 -9.669 10.704 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -7.477 -10.636 11.898 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -7.433 -8.122 14.369 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -7.944 -9.764 13.965 1.00 0.00 H new ATOM 459 N LYS A 27 -1.834 -6.117 14.489 1.00 0.00 N ATOM 460 CA LYS A 27 -0.549 -5.904 15.144 1.00 0.00 C ATOM 461 C LYS A 27 0.475 -5.340 14.163 1.00 0.00 C ATOM 462 O LYS A 27 1.677 -5.565 14.307 1.00 0.00 O ATOM 463 CB LYS A 27 -0.032 -7.215 15.740 1.00 0.00 C ATOM 464 CG LYS A 27 -0.540 -7.486 17.145 1.00 0.00 C ATOM 465 CD LYS A 27 -0.015 -6.458 18.135 1.00 0.00 C ATOM 466 CE LYS A 27 0.051 -7.025 19.544 1.00 0.00 C ATOM 467 NZ LYS A 27 1.196 -7.962 19.712 1.00 0.00 N ATOM 0 H LYS A 27 -2.604 -5.579 14.887 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.695 -5.181 15.946 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.326 -8.040 15.091 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.058 -7.193 15.755 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.630 -7.472 17.148 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.233 -8.484 17.458 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.977 -6.129 17.827 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.660 -5.579 18.125 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.142 -6.208 20.260 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.880 -7.545 19.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.309 -8.195 20.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.014 -8.833 19.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.066 -7.514 19.360 1.00 0.00 H new ATOM 481 N LEU A 28 -0.008 -4.605 13.168 1.00 0.00 N ATOM 482 CA LEU A 28 0.865 -4.008 12.164 1.00 0.00 C ATOM 483 C LEU A 28 0.858 -2.487 12.272 1.00 0.00 C ATOM 484 O LEU A 28 0.214 -1.786 11.491 1.00 0.00 O ATOM 485 CB LEU A 28 0.427 -4.432 10.761 1.00 0.00 C ATOM 486 CG LEU A 28 0.458 -5.934 10.473 1.00 0.00 C ATOM 487 CD1 LEU A 28 -0.316 -6.250 9.203 1.00 0.00 C ATOM 488 CD2 LEU A 28 1.893 -6.426 10.362 1.00 0.00 C ATOM 0 H LEU A 28 -1.000 -4.408 13.035 1.00 0.00 H new ATOM 0 HA LEU A 28 1.880 -4.363 12.344 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.588 -4.071 10.595 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.067 -3.930 10.035 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.020 -6.454 11.304 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.283 -7.323 9.014 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.353 -5.934 9.321 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.132 -5.720 8.363 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.896 -7.497 10.157 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.396 -5.900 9.551 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.417 -6.235 11.299 1.00 0.00 H new ATOM 500 N PRO A 29 1.594 -1.960 13.263 1.00 0.00 N ATOM 501 CA PRO A 29 1.692 -0.517 13.496 1.00 0.00 C ATOM 502 C PRO A 29 2.479 0.196 12.401 1.00 0.00 C ATOM 503 O PRO A 29 3.694 0.026 12.287 1.00 0.00 O ATOM 504 CB PRO A 29 2.430 -0.422 14.834 1.00 0.00 C ATOM 505 CG PRO A 29 3.213 -1.686 14.924 1.00 0.00 C ATOM 506 CD PRO A 29 2.388 -2.735 14.232 1.00 0.00 C ATOM 0 HA PRO A 29 0.713 -0.038 13.499 1.00 0.00 H new ATOM 0 HB2 PRO A 29 3.082 0.451 14.866 1.00 0.00 H new ATOM 0 HB3 PRO A 29 1.732 -0.329 15.666 1.00 0.00 H new ATOM 0 HG2 PRO A 29 4.186 -1.577 14.446 1.00 0.00 H new ATOM 0 HG3 PRO A 29 3.397 -1.958 15.963 1.00 0.00 H new ATOM 0 HD2 PRO A 29 3.014 -3.477 13.736 1.00 0.00 H new ATOM 0 HD3 PRO A 29 1.751 -3.273 14.934 1.00 0.00 H new ATOM 514 N LEU A 30 1.781 0.991 11.599 1.00 0.00 N ATOM 515 CA LEU A 30 2.416 1.730 10.512 1.00 0.00 C ATOM 516 C LEU A 30 3.367 2.790 11.058 1.00 0.00 C ATOM 517 O LEU A 30 2.935 3.809 11.596 1.00 0.00 O ATOM 518 CB LEU A 30 1.355 2.387 9.628 1.00 0.00 C ATOM 519 CG LEU A 30 0.318 1.447 9.012 1.00 0.00 C ATOM 520 CD1 LEU A 30 -0.971 2.196 8.712 1.00 0.00 C ATOM 521 CD2 LEU A 30 0.868 0.802 7.748 1.00 0.00 C ATOM 0 H LEU A 30 0.775 1.141 11.680 1.00 0.00 H new ATOM 0 HA LEU A 30 2.992 1.025 9.914 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.830 3.136 10.221 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.861 2.917 8.821 1.00 0.00 H new ATOM 0 HG LEU A 30 0.097 0.659 9.732 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.697 1.511 8.274 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.375 2.610 9.636 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.767 3.005 8.011 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.117 0.136 7.323 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.118 1.577 7.023 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.764 0.230 7.991 1.00 0.00 H new ATOM 533 N ALA A 31 4.665 2.544 10.913 1.00 0.00 N ATOM 534 CA ALA A 31 5.678 3.479 11.387 1.00 0.00 C ATOM 535 C ALA A 31 5.944 4.570 10.356 1.00 0.00 C ATOM 536 O ALA A 31 7.058 5.080 10.250 1.00 0.00 O ATOM 537 CB ALA A 31 6.965 2.739 11.720 1.00 0.00 C ATOM 0 H ALA A 31 5.040 1.705 10.471 1.00 0.00 H new ATOM 0 HA ALA A 31 5.302 3.956 12.292 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.712 3.450 12.073 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.770 2.002 12.499 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.336 2.235 10.828 1.00 0.00 H new ATOM 543 N GLY A 32 4.912 4.922 9.594 1.00 0.00 N ATOM 544 CA GLY A 32 5.056 5.950 8.579 1.00 0.00 C ATOM 545 C GLY A 32 3.782 6.746 8.376 1.00 0.00 C ATOM 546 O GLY A 32 2.976 6.883 9.296 1.00 0.00 O ATOM 0 H GLY A 32 3.980 4.514 9.662 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.862 6.626 8.863 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.346 5.487 7.636 1.00 0.00 H new ATOM 550 N GLN A 33 3.602 7.274 7.170 1.00 0.00 N ATOM 551 CA GLN A 33 2.418 8.062 6.850 1.00 0.00 C ATOM 552 C GLN A 33 1.427 7.248 6.025 1.00 0.00 C ATOM 553 O GLN A 33 1.802 6.279 5.365 1.00 0.00 O ATOM 554 CB GLN A 33 2.813 9.329 6.089 1.00 0.00 C ATOM 555 CG GLN A 33 1.912 10.519 6.379 1.00 0.00 C ATOM 556 CD GLN A 33 0.733 10.603 5.430 1.00 0.00 C ATOM 557 OE1 GLN A 33 -0.421 10.509 5.848 1.00 0.00 O ATOM 558 NE2 GLN A 33 1.017 10.781 4.146 1.00 0.00 N ATOM 0 H GLN A 33 4.261 7.170 6.398 1.00 0.00 H new ATOM 0 HA GLN A 33 1.937 8.344 7.787 1.00 0.00 H new ATOM 0 HB2 GLN A 33 3.840 9.591 6.344 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.793 9.121 5.019 1.00 0.00 H new ATOM 0 HG2 GLN A 33 1.545 10.451 7.403 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.495 11.437 6.310 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.989 10.854 3.844 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.264 10.845 3.461 1.00 0.00 H new ATOM 567 N VAL A 34 0.160 7.647 6.068 1.00 0.00 N ATOM 568 CA VAL A 34 -0.885 6.953 5.324 1.00 0.00 C ATOM 569 C VAL A 34 -1.596 7.901 4.364 1.00 0.00 C ATOM 570 O VAL A 34 -1.933 9.030 4.723 1.00 0.00 O ATOM 571 CB VAL A 34 -1.925 6.325 6.271 1.00 0.00 C ATOM 572 CG1 VAL A 34 -2.938 5.506 5.484 1.00 0.00 C ATOM 573 CG2 VAL A 34 -1.237 5.468 7.322 1.00 0.00 C ATOM 0 H VAL A 34 -0.168 8.447 6.610 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.397 6.161 4.755 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.459 7.127 6.780 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.665 5.070 6.169 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.453 6.151 4.772 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.423 4.710 4.946 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.986 5.032 7.983 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.677 4.671 6.832 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.554 6.086 7.905 1.00 0.00 H new ATOM 583 N LEU A 35 -1.821 7.434 3.140 1.00 0.00 N ATOM 584 CA LEU A 35 -2.492 8.240 2.126 1.00 0.00 C ATOM 585 C LEU A 35 -3.714 7.511 1.574 1.00 0.00 C ATOM 586 O LEU A 35 -3.624 6.359 1.149 1.00 0.00 O ATOM 587 CB LEU A 35 -1.526 8.572 0.988 1.00 0.00 C ATOM 588 CG LEU A 35 -0.593 9.760 1.225 1.00 0.00 C ATOM 589 CD1 LEU A 35 0.708 9.297 1.865 1.00 0.00 C ATOM 590 CD2 LEU A 35 -0.316 10.491 -0.080 1.00 0.00 C ATOM 0 H LEU A 35 -1.549 6.502 2.826 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.824 9.167 2.594 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.916 7.691 0.787 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.109 8.768 0.088 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.085 10.453 1.908 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.360 10.156 2.026 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.493 8.820 2.821 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.204 8.584 1.206 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.350 11.333 0.109 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.155 9.808 -0.787 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.254 10.857 -0.498 1.00 0.00 H new ATOM 602 N LEU A 36 -4.855 8.192 1.582 1.00 0.00 N ATOM 603 CA LEU A 36 -6.095 7.612 1.080 1.00 0.00 C ATOM 604 C LEU A 36 -6.557 8.325 -0.187 1.00 0.00 C ATOM 605 O LEU A 36 -6.910 9.504 -0.155 1.00 0.00 O ATOM 606 CB LEU A 36 -7.187 7.689 2.149 1.00 0.00 C ATOM 607 CG LEU A 36 -8.609 7.382 1.679 1.00 0.00 C ATOM 608 CD1 LEU A 36 -8.743 5.914 1.306 1.00 0.00 C ATOM 609 CD2 LEU A 36 -9.619 7.754 2.756 1.00 0.00 C ATOM 0 H LEU A 36 -4.947 9.146 1.931 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.905 6.566 0.837 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.933 6.995 2.950 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.176 8.690 2.579 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.815 7.982 0.792 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.762 5.714 0.974 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -8.046 5.678 0.502 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -8.517 5.296 2.175 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -10.626 7.529 2.404 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -9.414 7.181 3.660 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -9.541 8.819 2.976 1.00 0.00 H new ATOM 621 N LYS A 37 -6.555 7.602 -1.301 1.00 0.00 N ATOM 622 CA LYS A 37 -6.978 8.164 -2.579 1.00 0.00 C ATOM 623 C LYS A 37 -8.299 7.551 -3.032 1.00 0.00 C ATOM 624 O LYS A 37 -8.677 6.466 -2.589 1.00 0.00 O ATOM 625 CB LYS A 37 -5.903 7.927 -3.643 1.00 0.00 C ATOM 626 CG LYS A 37 -4.711 8.860 -3.520 1.00 0.00 C ATOM 627 CD LYS A 37 -4.991 10.210 -4.159 1.00 0.00 C ATOM 628 CE LYS A 37 -3.704 10.928 -4.535 1.00 0.00 C ATOM 629 NZ LYS A 37 -3.262 10.587 -5.916 1.00 0.00 N ATOM 0 H LYS A 37 -6.265 6.625 -1.345 1.00 0.00 H new ATOM 0 HA LYS A 37 -7.121 9.236 -2.447 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -5.556 6.896 -3.574 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -6.348 8.048 -4.631 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.464 8.999 -2.468 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.841 8.405 -3.994 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.605 10.072 -5.049 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -5.565 10.828 -3.469 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.853 12.005 -4.457 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.919 10.662 -3.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -2.382 11.096 -6.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.095 9.563 -5.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -4.000 10.864 -6.595 1.00 0.00 H new ATOM 643 N SER A 38 -8.997 8.253 -3.920 1.00 0.00 N ATOM 644 CA SER A 38 -10.278 7.779 -4.432 1.00 0.00 C ATOM 645 C SER A 38 -10.093 6.530 -5.288 1.00 0.00 C ATOM 646 O SER A 38 -9.786 6.619 -6.476 1.00 0.00 O ATOM 647 CB SER A 38 -10.962 8.876 -5.250 1.00 0.00 C ATOM 648 OG SER A 38 -12.361 8.668 -5.314 1.00 0.00 O ATOM 0 H SER A 38 -8.697 9.151 -4.299 1.00 0.00 H new ATOM 0 HA SER A 38 -10.909 7.524 -3.581 1.00 0.00 H new ATOM 0 HB2 SER A 38 -10.756 9.849 -4.803 1.00 0.00 H new ATOM 0 HB3 SER A 38 -10.548 8.894 -6.258 1.00 0.00 H new ATOM 0 HG SER A 38 -12.774 9.384 -5.841 1.00 0.00 H new ATOM 654 N GLY A 39 -10.281 5.366 -4.675 1.00 0.00 N ATOM 655 CA GLY A 39 -10.130 4.115 -5.396 1.00 0.00 C ATOM 656 C GLY A 39 -8.933 3.315 -4.923 1.00 0.00 C ATOM 657 O GLY A 39 -8.849 2.110 -5.164 1.00 0.00 O ATOM 0 H GLY A 39 -10.535 5.266 -3.692 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.034 3.518 -5.274 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -10.026 4.323 -6.461 1.00 0.00 H new ATOM 661 N TYR A 40 -8.003 3.985 -4.252 1.00 0.00 N ATOM 662 CA TYR A 40 -6.802 3.330 -3.749 1.00 0.00 C ATOM 663 C TYR A 40 -6.202 4.111 -2.584 1.00 0.00 C ATOM 664 O TYR A 40 -6.672 5.196 -2.242 1.00 0.00 O ATOM 665 CB TYR A 40 -5.768 3.186 -4.868 1.00 0.00 C ATOM 666 CG TYR A 40 -5.582 4.444 -5.686 1.00 0.00 C ATOM 667 CD1 TYR A 40 -4.694 5.433 -5.285 1.00 0.00 C ATOM 668 CD2 TYR A 40 -6.298 4.643 -6.861 1.00 0.00 C ATOM 669 CE1 TYR A 40 -4.522 6.584 -6.029 1.00 0.00 C ATOM 670 CE2 TYR A 40 -6.131 5.790 -7.613 1.00 0.00 C ATOM 671 CZ TYR A 40 -5.242 6.758 -7.192 1.00 0.00 C ATOM 672 OH TYR A 40 -5.074 7.902 -7.937 1.00 0.00 O ATOM 0 H TYR A 40 -8.058 4.982 -4.044 1.00 0.00 H new ATOM 0 HA TYR A 40 -7.082 2.339 -3.392 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -4.810 2.901 -4.432 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -6.071 2.374 -5.529 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -4.128 5.300 -4.375 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -6.996 3.888 -7.191 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -3.827 7.343 -5.702 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -6.693 5.928 -8.525 1.00 0.00 H new ATOM 0 HH TYR A 40 -5.654 7.867 -8.726 1.00 0.00 H new ATOM 682 N ALA A 41 -5.160 3.551 -1.979 1.00 0.00 N ATOM 683 CA ALA A 41 -4.493 4.194 -0.854 1.00 0.00 C ATOM 684 C ALA A 41 -3.047 3.727 -0.732 1.00 0.00 C ATOM 685 O ALA A 41 -2.734 2.567 -1.002 1.00 0.00 O ATOM 686 CB ALA A 41 -5.250 3.918 0.436 1.00 0.00 C ATOM 0 H ALA A 41 -4.759 2.653 -2.249 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.485 5.269 -1.035 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.741 4.404 1.268 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.264 4.309 0.353 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.288 2.843 0.612 1.00 0.00 H new ATOM 692 N PHE A 42 -2.168 4.637 -0.326 1.00 0.00 N ATOM 693 CA PHE A 42 -0.754 4.318 -0.170 1.00 0.00 C ATOM 694 C PHE A 42 -0.362 4.290 1.305 1.00 0.00 C ATOM 695 O PHE A 42 -0.892 5.050 2.115 1.00 0.00 O ATOM 696 CB PHE A 42 0.106 5.338 -0.919 1.00 0.00 C ATOM 697 CG PHE A 42 -0.366 5.608 -2.318 1.00 0.00 C ATOM 698 CD1 PHE A 42 -0.186 4.665 -3.318 1.00 0.00 C ATOM 699 CD2 PHE A 42 -0.990 6.804 -2.634 1.00 0.00 C ATOM 700 CE1 PHE A 42 -0.620 4.912 -4.607 1.00 0.00 C ATOM 701 CE2 PHE A 42 -1.426 7.057 -3.921 1.00 0.00 C ATOM 702 CZ PHE A 42 -1.241 6.109 -4.909 1.00 0.00 C ATOM 0 H PHE A 42 -2.410 5.601 -0.099 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.582 3.328 -0.592 1.00 0.00 H new ATOM 0 HB2 PHE A 42 0.115 6.274 -0.360 1.00 0.00 H new ATOM 0 HB3 PHE A 42 1.134 4.978 -0.954 1.00 0.00 H new ATOM 0 HD1 PHE A 42 0.298 3.728 -3.088 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -1.138 7.548 -1.865 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -0.474 4.170 -5.378 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -1.910 7.994 -4.154 1.00 0.00 H new ATOM 0 HZ PHE A 42 -1.581 6.303 -5.915 1.00 0.00 H new ATOM 712 N VAL A 43 0.571 3.405 1.647 1.00 0.00 N ATOM 713 CA VAL A 43 1.035 3.278 3.022 1.00 0.00 C ATOM 714 C VAL A 43 2.555 3.168 3.082 1.00 0.00 C ATOM 715 O VAL A 43 3.174 2.513 2.243 1.00 0.00 O ATOM 716 CB VAL A 43 0.416 2.047 3.711 1.00 0.00 C ATOM 717 CG1 VAL A 43 -1.065 2.272 3.978 1.00 0.00 C ATOM 718 CG2 VAL A 43 0.631 0.800 2.867 1.00 0.00 C ATOM 0 H VAL A 43 1.019 2.766 0.990 1.00 0.00 H new ATOM 0 HA VAL A 43 0.718 4.179 3.547 1.00 0.00 H new ATOM 0 HB VAL A 43 0.915 1.900 4.669 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.485 1.392 4.465 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.190 3.140 4.626 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.582 2.446 3.035 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.187 -0.060 3.369 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.160 0.934 1.893 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.699 0.631 2.733 1.00 0.00 H new ATOM 728 N ASP A 44 3.150 3.814 4.078 1.00 0.00 N ATOM 729 CA ASP A 44 4.598 3.789 4.248 1.00 0.00 C ATOM 730 C ASP A 44 5.017 2.648 5.170 1.00 0.00 C ATOM 731 O ASP A 44 4.579 2.571 6.318 1.00 0.00 O ATOM 732 CB ASP A 44 5.090 5.123 4.813 1.00 0.00 C ATOM 733 CG ASP A 44 6.596 5.163 4.974 1.00 0.00 C ATOM 734 OD1 ASP A 44 7.298 5.325 3.954 1.00 0.00 O ATOM 735 OD2 ASP A 44 7.075 5.031 6.121 1.00 0.00 O ATOM 0 H ASP A 44 2.652 4.361 4.780 1.00 0.00 H new ATOM 0 HA ASP A 44 5.051 3.628 3.270 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.777 5.932 4.153 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.619 5.300 5.780 1.00 0.00 H new ATOM 740 N TYR A 45 5.865 1.763 4.659 1.00 0.00 N ATOM 741 CA TYR A 45 6.341 0.623 5.434 1.00 0.00 C ATOM 742 C TYR A 45 7.756 0.867 5.949 1.00 0.00 C ATOM 743 O TYR A 45 8.583 1.500 5.292 1.00 0.00 O ATOM 744 CB TYR A 45 6.308 -0.648 4.584 1.00 0.00 C ATOM 745 CG TYR A 45 7.417 -0.721 3.560 1.00 0.00 C ATOM 746 CD1 TYR A 45 8.697 -1.123 3.920 1.00 0.00 C ATOM 747 CD2 TYR A 45 7.185 -0.387 2.231 1.00 0.00 C ATOM 748 CE1 TYR A 45 9.714 -1.190 2.987 1.00 0.00 C ATOM 749 CE2 TYR A 45 8.196 -0.452 1.290 1.00 0.00 C ATOM 750 CZ TYR A 45 9.458 -0.854 1.674 1.00 0.00 C ATOM 751 OH TYR A 45 10.469 -0.921 0.741 1.00 0.00 O ATOM 0 H TYR A 45 6.237 1.813 3.711 1.00 0.00 H new ATOM 0 HA TYR A 45 5.679 0.497 6.290 1.00 0.00 H new ATOM 0 HB2 TYR A 45 6.374 -1.516 5.240 1.00 0.00 H new ATOM 0 HB3 TYR A 45 5.348 -0.708 4.072 1.00 0.00 H new ATOM 0 HD1 TYR A 45 8.901 -1.388 4.947 1.00 0.00 H new ATOM 0 HD2 TYR A 45 6.198 -0.071 1.928 1.00 0.00 H new ATOM 0 HE1 TYR A 45 10.704 -1.504 3.284 1.00 0.00 H new ATOM 0 HE2 TYR A 45 7.999 -0.190 0.261 1.00 0.00 H new ATOM 0 HH TYR A 45 10.704 -1.859 0.580 1.00 0.00 H new ATOM 761 N PRO A 46 8.042 0.352 7.154 1.00 0.00 N ATOM 762 CA PRO A 46 9.357 0.499 7.785 1.00 0.00 C ATOM 763 C PRO A 46 10.436 -0.311 7.074 1.00 0.00 C ATOM 764 O PRO A 46 11.511 0.204 6.767 1.00 0.00 O ATOM 765 CB PRO A 46 9.132 -0.037 9.202 1.00 0.00 C ATOM 766 CG PRO A 46 7.986 -0.979 9.073 1.00 0.00 C ATOM 767 CD PRO A 46 7.105 -0.414 7.993 1.00 0.00 C ATOM 0 HA PRO A 46 9.710 1.530 7.755 1.00 0.00 H new ATOM 0 HB2 PRO A 46 10.020 -0.544 9.579 1.00 0.00 H new ATOM 0 HB3 PRO A 46 8.905 0.770 9.899 1.00 0.00 H new ATOM 0 HG2 PRO A 46 8.331 -1.979 8.812 1.00 0.00 H new ATOM 0 HG3 PRO A 46 7.443 -1.065 10.014 1.00 0.00 H new ATOM 0 HD2 PRO A 46 6.609 -1.202 7.426 1.00 0.00 H new ATOM 0 HD3 PRO A 46 6.322 0.223 8.405 1.00 0.00 H new ATOM 775 N ASP A 47 10.141 -1.581 6.816 1.00 0.00 N ATOM 776 CA ASP A 47 11.085 -2.461 6.139 1.00 0.00 C ATOM 777 C ASP A 47 10.359 -3.412 5.192 1.00 0.00 C ATOM 778 O ASP A 47 9.145 -3.590 5.289 1.00 0.00 O ATOM 779 CB ASP A 47 11.894 -3.260 7.163 1.00 0.00 C ATOM 780 CG ASP A 47 12.775 -2.374 8.023 1.00 0.00 C ATOM 781 OD1 ASP A 47 12.226 -1.620 8.852 1.00 0.00 O ATOM 782 OD2 ASP A 47 14.013 -2.435 7.865 1.00 0.00 O ATOM 0 H ASP A 47 9.256 -2.023 7.066 1.00 0.00 H new ATOM 0 HA ASP A 47 11.765 -1.842 5.553 1.00 0.00 H new ATOM 0 HB2 ASP A 47 11.212 -3.821 7.803 1.00 0.00 H new ATOM 0 HB3 ASP A 47 12.515 -3.989 6.642 1.00 0.00 H new ATOM 787 N GLN A 48 11.111 -4.020 4.279 1.00 0.00 N ATOM 788 CA GLN A 48 10.537 -4.950 3.315 1.00 0.00 C ATOM 789 C GLN A 48 9.839 -6.106 4.024 1.00 0.00 C ATOM 790 O GLN A 48 8.806 -6.593 3.567 1.00 0.00 O ATOM 791 CB GLN A 48 11.626 -5.489 2.384 1.00 0.00 C ATOM 792 CG GLN A 48 11.087 -6.056 1.082 1.00 0.00 C ATOM 793 CD GLN A 48 10.984 -5.012 -0.012 1.00 0.00 C ATOM 794 OE1 GLN A 48 11.213 -3.826 0.223 1.00 0.00 O ATOM 795 NE2 GLN A 48 10.639 -5.449 -1.217 1.00 0.00 N ATOM 0 H GLN A 48 12.118 -3.885 4.187 1.00 0.00 H new ATOM 0 HA GLN A 48 9.797 -4.411 2.723 1.00 0.00 H new ATOM 0 HB2 GLN A 48 12.329 -4.687 2.158 1.00 0.00 H new ATOM 0 HB3 GLN A 48 12.186 -6.266 2.905 1.00 0.00 H new ATOM 0 HG2 GLN A 48 11.736 -6.865 0.747 1.00 0.00 H new ATOM 0 HG3 GLN A 48 10.103 -6.489 1.259 1.00 0.00 H new ATOM 0 HE21 GLN A 48 10.458 -6.442 -1.367 1.00 0.00 H new ATOM 0 HE22 GLN A 48 10.555 -4.792 -1.993 1.00 0.00 H new ATOM 804 N ASN A 49 10.411 -6.541 5.141 1.00 0.00 N ATOM 805 CA ASN A 49 9.844 -7.642 5.913 1.00 0.00 C ATOM 806 C ASN A 49 8.452 -7.285 6.424 1.00 0.00 C ATOM 807 O ASN A 49 7.527 -8.095 6.351 1.00 0.00 O ATOM 808 CB ASN A 49 10.758 -7.992 7.089 1.00 0.00 C ATOM 809 CG ASN A 49 12.215 -8.088 6.680 1.00 0.00 C ATOM 810 OD1 ASN A 49 12.683 -9.145 6.256 1.00 0.00 O ATOM 811 ND2 ASN A 49 12.940 -6.983 6.806 1.00 0.00 N ATOM 0 H ASN A 49 11.267 -6.148 5.533 1.00 0.00 H new ATOM 0 HA ASN A 49 9.760 -8.509 5.257 1.00 0.00 H new ATOM 0 HB2 ASN A 49 10.651 -7.236 7.867 1.00 0.00 H new ATOM 0 HB3 ASN A 49 10.442 -8.941 7.522 1.00 0.00 H new ATOM 0 HD21 ASN A 49 13.927 -6.988 6.547 1.00 0.00 H new ATOM 0 HD22 ASN A 49 12.510 -6.129 7.162 1.00 0.00 H new ATOM 818 N TRP A 50 8.310 -6.071 6.942 1.00 0.00 N ATOM 819 CA TRP A 50 7.030 -5.607 7.466 1.00 0.00 C ATOM 820 C TRP A 50 5.975 -5.568 6.366 1.00 0.00 C ATOM 821 O TRP A 50 4.835 -5.983 6.571 1.00 0.00 O ATOM 822 CB TRP A 50 7.184 -4.220 8.092 1.00 0.00 C ATOM 823 CG TRP A 50 5.905 -3.678 8.655 1.00 0.00 C ATOM 824 CD1 TRP A 50 5.537 -3.645 9.969 1.00 0.00 C ATOM 825 CD2 TRP A 50 4.827 -3.092 7.918 1.00 0.00 C ATOM 826 NE1 TRP A 50 4.293 -3.073 10.095 1.00 0.00 N ATOM 827 CE2 TRP A 50 3.837 -2.725 8.852 1.00 0.00 C ATOM 828 CE3 TRP A 50 4.601 -2.839 6.563 1.00 0.00 C ATOM 829 CZ2 TRP A 50 2.642 -2.122 8.469 1.00 0.00 C ATOM 830 CZ3 TRP A 50 3.414 -2.240 6.185 1.00 0.00 C ATOM 831 CH2 TRP A 50 2.447 -1.886 7.135 1.00 0.00 C ATOM 0 H TRP A 50 9.066 -5.389 7.011 1.00 0.00 H new ATOM 0 HA TRP A 50 6.703 -6.309 8.233 1.00 0.00 H new ATOM 0 HB2 TRP A 50 7.930 -4.268 8.885 1.00 0.00 H new ATOM 0 HB3 TRP A 50 7.563 -3.529 7.339 1.00 0.00 H new ATOM 0 HD1 TRP A 50 6.135 -4.014 10.789 1.00 0.00 H new ATOM 0 HE1 TRP A 50 3.792 -2.931 10.972 1.00 0.00 H new ATOM 0 HE3 TRP A 50 5.341 -3.107 5.823 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 1.895 -1.850 9.199 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 3.229 -2.042 5.140 1.00 0.00 H new ATOM 0 HH2 TRP A 50 1.530 -1.418 6.808 1.00 0.00 H new ATOM 842 N ALA A 51 6.362 -5.063 5.199 1.00 0.00 N ATOM 843 CA ALA A 51 5.448 -4.971 4.066 1.00 0.00 C ATOM 844 C ALA A 51 4.931 -6.348 3.665 1.00 0.00 C ATOM 845 O ALA A 51 3.724 -6.552 3.524 1.00 0.00 O ATOM 846 CB ALA A 51 6.136 -4.299 2.887 1.00 0.00 C ATOM 0 H ALA A 51 7.301 -4.712 5.013 1.00 0.00 H new ATOM 0 HA ALA A 51 4.594 -4.365 4.368 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.443 -4.237 2.048 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.450 -3.295 3.173 1.00 0.00 H new ATOM 0 HB3 ALA A 51 7.009 -4.883 2.594 1.00 0.00 H new ATOM 852 N ILE A 52 5.850 -7.291 3.481 1.00 0.00 N ATOM 853 CA ILE A 52 5.485 -8.648 3.097 1.00 0.00 C ATOM 854 C ILE A 52 4.604 -9.302 4.155 1.00 0.00 C ATOM 855 O ILE A 52 3.596 -9.933 3.837 1.00 0.00 O ATOM 856 CB ILE A 52 6.731 -9.523 2.870 1.00 0.00 C ATOM 857 CG1 ILE A 52 7.636 -8.896 1.807 1.00 0.00 C ATOM 858 CG2 ILE A 52 6.324 -10.931 2.463 1.00 0.00 C ATOM 859 CD1 ILE A 52 9.059 -9.408 1.846 1.00 0.00 C ATOM 0 H ILE A 52 6.853 -7.139 3.592 1.00 0.00 H new ATOM 0 HA ILE A 52 4.929 -8.572 2.162 1.00 0.00 H new ATOM 0 HB ILE A 52 7.288 -9.583 3.805 1.00 0.00 H new ATOM 0 HG12 ILE A 52 7.215 -9.092 0.821 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.644 -7.814 1.940 1.00 0.00 H new ATOM 0 HG21 ILE A 52 7.217 -11.537 2.306 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.717 -11.376 3.251 1.00 0.00 H new ATOM 0 HG23 ILE A 52 5.747 -10.890 1.539 1.00 0.00 H new ATOM 0 HD11 ILE A 52 9.643 -8.920 1.065 1.00 0.00 H new ATOM 0 HD12 ILE A 52 9.498 -9.188 2.819 1.00 0.00 H new ATOM 0 HD13 ILE A 52 9.063 -10.486 1.682 1.00 0.00 H new ATOM 871 N ARG A 53 4.992 -9.146 5.418 1.00 0.00 N ATOM 872 CA ARG A 53 4.236 -9.721 6.525 1.00 0.00 C ATOM 873 C ARG A 53 2.886 -9.028 6.680 1.00 0.00 C ATOM 874 O ARG A 53 1.893 -9.656 7.047 1.00 0.00 O ATOM 875 CB ARG A 53 5.032 -9.606 7.826 1.00 0.00 C ATOM 876 CG ARG A 53 4.472 -10.450 8.959 1.00 0.00 C ATOM 877 CD ARG A 53 5.570 -10.911 9.905 1.00 0.00 C ATOM 878 NE ARG A 53 6.606 -11.673 9.212 1.00 0.00 N ATOM 879 CZ ARG A 53 6.420 -12.896 8.729 1.00 0.00 C ATOM 880 NH1 ARG A 53 5.243 -13.493 8.863 1.00 0.00 N ATOM 881 NH2 ARG A 53 7.411 -13.525 8.111 1.00 0.00 N ATOM 0 H ARG A 53 5.824 -8.627 5.699 1.00 0.00 H new ATOM 0 HA ARG A 53 4.061 -10.774 6.305 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.064 -9.903 7.638 1.00 0.00 H new ATOM 0 HB3 ARG A 53 5.053 -8.562 8.138 1.00 0.00 H new ATOM 0 HG2 ARG A 53 3.732 -9.873 9.513 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.957 -11.318 8.547 1.00 0.00 H new ATOM 0 HD2 ARG A 53 6.020 -10.044 10.388 1.00 0.00 H new ATOM 0 HD3 ARG A 53 5.135 -11.525 10.694 1.00 0.00 H new ATOM 0 HE ARG A 53 7.523 -11.242 9.093 1.00 0.00 H new ATOM 0 HH11 ARG A 53 4.479 -13.013 9.338 1.00 0.00 H new ATOM 0 HH12 ARG A 53 5.102 -14.432 8.491 1.00 0.00 H new ATOM 0 HH21 ARG A 53 8.318 -13.069 8.006 1.00 0.00 H new ATOM 0 HH22 ARG A 53 7.266 -14.464 7.741 1.00 0.00 H new ATOM 895 N ALA A 54 2.856 -7.730 6.397 1.00 0.00 N ATOM 896 CA ALA A 54 1.627 -6.952 6.502 1.00 0.00 C ATOM 897 C ALA A 54 0.651 -7.313 5.386 1.00 0.00 C ATOM 898 O ALA A 54 -0.547 -7.461 5.623 1.00 0.00 O ATOM 899 CB ALA A 54 1.940 -5.464 6.472 1.00 0.00 C ATOM 0 H ALA A 54 3.669 -7.194 6.093 1.00 0.00 H new ATOM 0 HA ALA A 54 1.154 -7.193 7.454 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.013 -4.896 6.551 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.593 -5.213 7.308 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.439 -5.216 5.535 1.00 0.00 H new ATOM 905 N ILE A 55 1.174 -7.452 4.173 1.00 0.00 N ATOM 906 CA ILE A 55 0.349 -7.795 3.021 1.00 0.00 C ATOM 907 C ILE A 55 -0.264 -9.183 3.178 1.00 0.00 C ATOM 908 O ILE A 55 -1.463 -9.370 2.973 1.00 0.00 O ATOM 909 CB ILE A 55 1.160 -7.749 1.713 1.00 0.00 C ATOM 910 CG1 ILE A 55 1.602 -6.316 1.412 1.00 0.00 C ATOM 911 CG2 ILE A 55 0.339 -8.309 0.562 1.00 0.00 C ATOM 912 CD1 ILE A 55 2.881 -6.235 0.609 1.00 0.00 C ATOM 0 H ILE A 55 2.165 -7.333 3.962 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.447 -7.052 2.971 1.00 0.00 H new ATOM 0 HB ILE A 55 2.051 -8.366 1.832 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.807 -5.806 0.867 1.00 0.00 H new ATOM 0 HG13 ILE A 55 1.738 -5.781 2.352 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.925 -8.270 -0.356 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.069 -9.343 0.777 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.567 -7.716 0.439 1.00 0.00 H new ATOM 0 HD11 ILE A 55 3.134 -5.190 0.433 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.688 -6.716 1.161 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.743 -6.741 -0.347 1.00 0.00 H new ATOM 924 N GLU A 56 0.568 -10.153 3.546 1.00 0.00 N ATOM 925 CA GLU A 56 0.107 -11.524 3.731 1.00 0.00 C ATOM 926 C GLU A 56 -0.914 -11.606 4.862 1.00 0.00 C ATOM 927 O GLU A 56 -1.885 -12.360 4.786 1.00 0.00 O ATOM 928 CB GLU A 56 1.291 -12.447 4.031 1.00 0.00 C ATOM 929 CG GLU A 56 1.088 -13.872 3.544 1.00 0.00 C ATOM 930 CD GLU A 56 0.436 -14.758 4.588 1.00 0.00 C ATOM 931 OE1 GLU A 56 0.863 -14.707 5.761 1.00 0.00 O ATOM 932 OE2 GLU A 56 -0.501 -15.502 4.232 1.00 0.00 O ATOM 0 H GLU A 56 1.563 -10.015 3.722 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.372 -11.847 2.807 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.188 -12.037 3.566 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.467 -12.461 5.107 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.471 -13.861 2.646 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.052 -14.297 3.263 1.00 0.00 H new ATOM 939 N THR A 57 -0.690 -10.824 5.914 1.00 0.00 N ATOM 940 CA THR A 57 -1.587 -10.809 7.062 1.00 0.00 C ATOM 941 C THR A 57 -2.808 -9.936 6.793 1.00 0.00 C ATOM 942 O THR A 57 -3.873 -10.144 7.377 1.00 0.00 O ATOM 943 CB THR A 57 -0.874 -10.296 8.328 1.00 0.00 C ATOM 944 OG1 THR A 57 0.107 -11.248 8.755 1.00 0.00 O ATOM 945 CG2 THR A 57 -1.872 -10.048 9.448 1.00 0.00 C ATOM 0 H THR A 57 0.107 -10.192 5.994 1.00 0.00 H new ATOM 0 HA THR A 57 -1.906 -11.838 7.226 1.00 0.00 H new ATOM 0 HB THR A 57 -0.383 -9.353 8.087 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.967 -11.045 8.331 1.00 0.00 H new ATOM 0 HG21 THR A 57 -1.345 -9.686 10.331 1.00 0.00 H new ATOM 0 HG22 THR A 57 -2.599 -9.302 9.128 1.00 0.00 H new ATOM 0 HG23 THR A 57 -2.388 -10.978 9.688 1.00 0.00 H new ATOM 953 N LEU A 58 -2.649 -8.962 5.903 1.00 0.00 N ATOM 954 CA LEU A 58 -3.740 -8.058 5.556 1.00 0.00 C ATOM 955 C LEU A 58 -4.326 -8.411 4.193 1.00 0.00 C ATOM 956 O LEU A 58 -5.431 -8.945 4.100 1.00 0.00 O ATOM 957 CB LEU A 58 -3.248 -6.610 5.553 1.00 0.00 C ATOM 958 CG LEU A 58 -2.809 -6.048 6.906 1.00 0.00 C ATOM 959 CD1 LEU A 58 -2.036 -4.751 6.719 1.00 0.00 C ATOM 960 CD2 LEU A 58 -4.014 -5.827 7.808 1.00 0.00 C ATOM 0 H LEU A 58 -1.776 -8.778 5.409 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.522 -8.167 6.307 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.409 -6.534 4.861 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.044 -5.977 5.160 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.151 -6.774 7.384 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.732 -4.365 7.692 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.152 -4.939 6.110 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.670 -4.018 6.221 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.683 -5.427 8.766 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.697 -5.120 7.336 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.527 -6.775 7.969 1.00 0.00 H new ATOM 972 N SER A 59 -3.577 -8.110 3.137 1.00 0.00 N ATOM 973 CA SER A 59 -4.022 -8.394 1.777 1.00 0.00 C ATOM 974 C SER A 59 -4.458 -9.850 1.641 1.00 0.00 C ATOM 975 O SER A 59 -3.694 -10.768 1.936 1.00 0.00 O ATOM 976 CB SER A 59 -2.905 -8.088 0.778 1.00 0.00 C ATOM 977 OG SER A 59 -3.405 -8.044 -0.547 1.00 0.00 O ATOM 0 H SER A 59 -2.659 -7.669 3.197 1.00 0.00 H new ATOM 0 HA SER A 59 -4.878 -7.755 1.560 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.441 -7.134 1.027 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.128 -8.849 0.852 1.00 0.00 H new ATOM 0 HG SER A 59 -2.666 -8.166 -1.180 1.00 0.00 H new ATOM 983 N GLY A 60 -5.693 -10.052 1.193 1.00 0.00 N ATOM 984 CA GLY A 60 -6.210 -11.397 1.025 1.00 0.00 C ATOM 985 C GLY A 60 -6.656 -12.015 2.337 1.00 0.00 C ATOM 986 O GLY A 60 -7.033 -13.186 2.384 1.00 0.00 O ATOM 0 H GLY A 60 -6.345 -9.308 0.943 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.051 -11.376 0.332 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.442 -12.025 0.574 1.00 0.00 H new ATOM 990 N LYS A 61 -6.611 -11.227 3.405 1.00 0.00 N ATOM 991 CA LYS A 61 -7.012 -11.701 4.724 1.00 0.00 C ATOM 992 C LYS A 61 -8.007 -10.742 5.369 1.00 0.00 C ATOM 993 O LYS A 61 -8.865 -11.154 6.151 1.00 0.00 O ATOM 994 CB LYS A 61 -5.786 -11.863 5.625 1.00 0.00 C ATOM 995 CG LYS A 61 -5.016 -13.149 5.382 1.00 0.00 C ATOM 996 CD LYS A 61 -5.567 -14.294 6.215 1.00 0.00 C ATOM 997 CE LYS A 61 -4.740 -15.559 6.039 1.00 0.00 C ATOM 998 NZ LYS A 61 -3.507 -15.535 6.875 1.00 0.00 N ATOM 0 H LYS A 61 -6.300 -10.256 3.383 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.496 -12.670 4.602 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.118 -11.015 5.471 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.105 -11.832 6.667 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.066 -13.410 4.325 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -3.964 -12.996 5.623 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -5.577 -14.008 7.267 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.600 -14.490 5.928 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -5.343 -16.427 6.305 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -4.466 -15.671 4.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.970 -16.414 6.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.919 -14.721 6.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -3.769 -15.454 7.878 1.00 0.00 H new ATOM 1012 N VAL A 62 -7.889 -9.461 5.034 1.00 0.00 N ATOM 1013 CA VAL A 62 -8.780 -8.443 5.578 1.00 0.00 C ATOM 1014 C VAL A 62 -9.577 -7.762 4.472 1.00 0.00 C ATOM 1015 O VAL A 62 -9.068 -7.543 3.373 1.00 0.00 O ATOM 1016 CB VAL A 62 -7.999 -7.375 6.365 1.00 0.00 C ATOM 1017 CG1 VAL A 62 -7.078 -6.596 5.438 1.00 0.00 C ATOM 1018 CG2 VAL A 62 -8.955 -6.440 7.089 1.00 0.00 C ATOM 0 H VAL A 62 -7.185 -9.104 4.388 1.00 0.00 H new ATOM 0 HA VAL A 62 -9.466 -8.953 6.255 1.00 0.00 H new ATOM 0 HB VAL A 62 -7.384 -7.877 7.112 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -6.534 -5.846 6.012 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -6.369 -7.280 4.971 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -7.670 -6.104 4.666 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -8.385 -5.692 7.640 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -9.598 -5.944 6.363 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -9.568 -7.013 7.784 1.00 0.00 H new ATOM 1028 N GLU A 63 -10.829 -7.429 4.770 1.00 0.00 N ATOM 1029 CA GLU A 63 -11.696 -6.772 3.799 1.00 0.00 C ATOM 1030 C GLU A 63 -12.395 -5.567 4.422 1.00 0.00 C ATOM 1031 O GLU A 63 -12.746 -5.579 5.602 1.00 0.00 O ATOM 1032 CB GLU A 63 -12.736 -7.758 3.262 1.00 0.00 C ATOM 1033 CG GLU A 63 -13.849 -8.066 4.250 1.00 0.00 C ATOM 1034 CD GLU A 63 -13.498 -9.205 5.187 1.00 0.00 C ATOM 1035 OE1 GLU A 63 -12.291 -9.461 5.383 1.00 0.00 O ATOM 1036 OE2 GLU A 63 -14.428 -9.839 5.726 1.00 0.00 O ATOM 0 H GLU A 63 -11.265 -7.603 5.675 1.00 0.00 H new ATOM 0 HA GLU A 63 -11.076 -6.423 2.973 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -13.173 -7.351 2.350 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -12.236 -8.687 2.989 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -14.067 -7.173 4.836 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -14.757 -8.318 3.702 1.00 0.00 H new ATOM 1043 N LEU A 64 -12.595 -4.527 3.620 1.00 0.00 N ATOM 1044 CA LEU A 64 -13.252 -3.313 4.091 1.00 0.00 C ATOM 1045 C LEU A 64 -14.577 -3.095 3.367 1.00 0.00 C ATOM 1046 O LEU A 64 -14.635 -3.114 2.137 1.00 0.00 O ATOM 1047 CB LEU A 64 -12.339 -2.102 3.883 1.00 0.00 C ATOM 1048 CG LEU A 64 -12.502 -0.960 4.886 1.00 0.00 C ATOM 1049 CD1 LEU A 64 -12.605 -1.503 6.303 1.00 0.00 C ATOM 1050 CD2 LEU A 64 -11.343 0.019 4.772 1.00 0.00 C ATOM 0 H LEU A 64 -12.312 -4.500 2.641 1.00 0.00 H new ATOM 0 HA LEU A 64 -13.455 -3.429 5.156 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -11.304 -2.442 3.915 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -12.514 -1.708 2.882 1.00 0.00 H new ATOM 0 HG LEU A 64 -13.425 -0.429 4.655 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -12.721 -0.675 7.002 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -13.468 -2.164 6.377 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -11.700 -2.060 6.546 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -11.476 0.825 5.493 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -10.407 -0.500 4.976 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -11.315 0.434 3.765 1.00 0.00 H new ATOM 1062 N HIS A 65 -15.639 -2.885 4.140 1.00 0.00 N ATOM 1063 CA HIS A 65 -16.964 -2.661 3.572 1.00 0.00 C ATOM 1064 C HIS A 65 -17.446 -3.894 2.813 1.00 0.00 C ATOM 1065 O HIS A 65 -18.250 -3.790 1.888 1.00 0.00 O ATOM 1066 CB HIS A 65 -16.943 -1.450 2.639 1.00 0.00 C ATOM 1067 CG HIS A 65 -17.250 -0.157 3.330 1.00 0.00 C ATOM 1068 ND1 HIS A 65 -18.517 0.385 3.384 1.00 0.00 N ATOM 1069 CD2 HIS A 65 -16.447 0.702 4.000 1.00 0.00 C ATOM 1070 CE1 HIS A 65 -18.480 1.523 4.055 1.00 0.00 C ATOM 1071 NE2 HIS A 65 -17.234 1.737 4.440 1.00 0.00 N ATOM 0 H HIS A 65 -15.608 -2.865 5.159 1.00 0.00 H new ATOM 0 HA HIS A 65 -17.656 -2.468 4.392 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -15.961 -1.379 2.172 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -17.666 -1.606 1.839 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -15.384 0.593 4.159 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -19.323 2.168 4.254 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -16.910 2.541 4.977 1.00 0.00 H new ATOM 1079 N GLY A 66 -16.948 -5.061 3.211 1.00 0.00 N ATOM 1080 CA GLY A 66 -17.339 -6.296 2.558 1.00 0.00 C ATOM 1081 C GLY A 66 -16.465 -6.622 1.363 1.00 0.00 C ATOM 1082 O GLY A 66 -16.577 -7.698 0.777 1.00 0.00 O ATOM 0 H GLY A 66 -16.281 -5.173 3.974 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -17.288 -7.115 3.276 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -18.377 -6.220 2.235 1.00 0.00 H new ATOM 1086 N LYS A 67 -15.593 -5.688 0.999 1.00 0.00 N ATOM 1087 CA LYS A 67 -14.695 -5.880 -0.135 1.00 0.00 C ATOM 1088 C LYS A 67 -13.274 -6.166 0.339 1.00 0.00 C ATOM 1089 O LYS A 67 -12.733 -5.446 1.179 1.00 0.00 O ATOM 1090 CB LYS A 67 -14.706 -4.641 -1.034 1.00 0.00 C ATOM 1091 CG LYS A 67 -15.816 -4.650 -2.070 1.00 0.00 C ATOM 1092 CD LYS A 67 -15.872 -3.342 -2.840 1.00 0.00 C ATOM 1093 CE LYS A 67 -16.926 -3.384 -3.935 1.00 0.00 C ATOM 1094 NZ LYS A 67 -16.425 -4.062 -5.162 1.00 0.00 N ATOM 0 H LYS A 67 -15.489 -4.791 1.472 1.00 0.00 H new ATOM 0 HA LYS A 67 -15.048 -6.739 -0.706 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -14.809 -3.752 -0.412 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.746 -4.564 -1.544 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -15.660 -5.475 -2.765 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -16.773 -4.824 -1.578 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -16.091 -2.524 -2.154 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -14.896 -3.136 -3.280 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -17.810 -3.905 -3.568 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -17.234 -2.368 -4.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -17.173 -4.070 -5.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -15.596 -3.551 -5.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -16.155 -5.040 -4.933 1.00 0.00 H new ATOM 1108 N ILE A 68 -12.675 -7.218 -0.206 1.00 0.00 N ATOM 1109 CA ILE A 68 -11.316 -7.597 0.159 1.00 0.00 C ATOM 1110 C ILE A 68 -10.307 -6.562 -0.327 1.00 0.00 C ATOM 1111 O ILE A 68 -10.319 -6.168 -1.493 1.00 0.00 O ATOM 1112 CB ILE A 68 -10.939 -8.974 -0.419 1.00 0.00 C ATOM 1113 CG1 ILE A 68 -11.969 -10.025 -0.001 1.00 0.00 C ATOM 1114 CG2 ILE A 68 -9.546 -9.378 0.037 1.00 0.00 C ATOM 1115 CD1 ILE A 68 -11.776 -10.532 1.411 1.00 0.00 C ATOM 0 H ILE A 68 -13.109 -7.824 -0.902 1.00 0.00 H new ATOM 0 HA ILE A 68 -11.286 -7.649 1.247 1.00 0.00 H new ATOM 0 HB ILE A 68 -10.937 -8.907 -1.507 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -12.968 -9.599 -0.092 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -11.917 -10.867 -0.691 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -9.295 -10.353 -0.380 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -8.822 -8.639 -0.307 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -9.521 -9.432 1.125 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -12.541 -11.274 1.639 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -10.790 -10.988 1.502 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -11.857 -9.700 2.111 1.00 0.00 H new ATOM 1127 N MET A 69 -9.433 -6.126 0.575 1.00 0.00 N ATOM 1128 CA MET A 69 -8.415 -5.138 0.237 1.00 0.00 C ATOM 1129 C MET A 69 -7.132 -5.818 -0.231 1.00 0.00 C ATOM 1130 O MET A 69 -6.683 -6.795 0.367 1.00 0.00 O ATOM 1131 CB MET A 69 -8.122 -4.244 1.443 1.00 0.00 C ATOM 1132 CG MET A 69 -7.000 -4.766 2.328 1.00 0.00 C ATOM 1133 SD MET A 69 -6.930 -3.932 3.925 1.00 0.00 S ATOM 1134 CE MET A 69 -6.612 -2.245 3.412 1.00 0.00 C ATOM 0 H MET A 69 -9.410 -6.441 1.545 1.00 0.00 H new ATOM 0 HA MET A 69 -8.797 -4.523 -0.578 1.00 0.00 H new ATOM 0 HB2 MET A 69 -7.861 -3.246 1.090 1.00 0.00 H new ATOM 0 HB3 MET A 69 -9.028 -4.145 2.040 1.00 0.00 H new ATOM 0 HG2 MET A 69 -7.136 -5.836 2.487 1.00 0.00 H new ATOM 0 HG3 MET A 69 -6.047 -4.638 1.814 1.00 0.00 H new ATOM 0 HE1 MET A 69 -6.163 -1.692 4.237 1.00 0.00 H new ATOM 0 HE2 MET A 69 -5.929 -2.246 2.562 1.00 0.00 H new ATOM 0 HE3 MET A 69 -7.550 -1.769 3.124 1.00 0.00 H new ATOM 1144 N GLU A 70 -6.548 -5.294 -1.305 1.00 0.00 N ATOM 1145 CA GLU A 70 -5.317 -5.852 -1.853 1.00 0.00 C ATOM 1146 C GLU A 70 -4.155 -4.878 -1.683 1.00 0.00 C ATOM 1147 O GLU A 70 -4.240 -3.718 -2.086 1.00 0.00 O ATOM 1148 CB GLU A 70 -5.500 -6.192 -3.333 1.00 0.00 C ATOM 1149 CG GLU A 70 -4.241 -6.724 -3.996 1.00 0.00 C ATOM 1150 CD GLU A 70 -4.518 -7.381 -5.334 1.00 0.00 C ATOM 1151 OE1 GLU A 70 -4.915 -8.566 -5.343 1.00 0.00 O ATOM 1152 OE2 GLU A 70 -4.341 -6.710 -6.372 1.00 0.00 O ATOM 0 H GLU A 70 -6.907 -4.485 -1.812 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.086 -6.765 -1.304 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.293 -6.933 -3.431 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -5.830 -5.299 -3.864 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -3.536 -5.905 -4.137 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.763 -7.446 -3.333 1.00 0.00 H new ATOM 1159 N VAL A 71 -3.071 -5.359 -1.083 1.00 0.00 N ATOM 1160 CA VAL A 71 -1.891 -4.531 -0.860 1.00 0.00 C ATOM 1161 C VAL A 71 -0.721 -5.000 -1.718 1.00 0.00 C ATOM 1162 O VAL A 71 -0.347 -6.172 -1.689 1.00 0.00 O ATOM 1163 CB VAL A 71 -1.465 -4.548 0.620 1.00 0.00 C ATOM 1164 CG1 VAL A 71 -0.255 -3.653 0.839 1.00 0.00 C ATOM 1165 CG2 VAL A 71 -2.623 -4.121 1.511 1.00 0.00 C ATOM 0 H VAL A 71 -2.985 -6.317 -0.743 1.00 0.00 H new ATOM 0 HA VAL A 71 -2.161 -3.513 -1.142 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.185 -5.567 0.888 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.031 -3.678 1.891 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.575 -4.008 0.229 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -0.503 -2.630 0.555 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -2.305 -4.138 2.554 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -2.935 -3.111 1.243 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.459 -4.807 1.375 1.00 0.00 H new ATOM 1175 N ASP A 72 -0.148 -4.077 -2.482 1.00 0.00 N ATOM 1176 CA ASP A 72 0.981 -4.393 -3.348 1.00 0.00 C ATOM 1177 C ASP A 72 1.840 -3.158 -3.598 1.00 0.00 C ATOM 1178 O ASP A 72 1.325 -2.044 -3.706 1.00 0.00 O ATOM 1179 CB ASP A 72 0.486 -4.963 -4.679 1.00 0.00 C ATOM 1180 CG ASP A 72 1.520 -5.845 -5.352 1.00 0.00 C ATOM 1181 OD1 ASP A 72 2.077 -6.732 -4.672 1.00 0.00 O ATOM 1182 OD2 ASP A 72 1.772 -5.647 -6.559 1.00 0.00 O ATOM 0 H ASP A 72 -0.447 -3.103 -2.519 1.00 0.00 H new ATOM 0 HA ASP A 72 1.593 -5.142 -2.845 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.423 -5.540 -4.508 1.00 0.00 H new ATOM 0 HB3 ASP A 72 0.223 -4.143 -5.347 1.00 0.00 H new ATOM 1187 N TYR A 73 3.149 -3.361 -3.687 1.00 0.00 N ATOM 1188 CA TYR A 73 4.079 -2.262 -3.920 1.00 0.00 C ATOM 1189 C TYR A 73 3.456 -1.204 -4.827 1.00 0.00 C ATOM 1190 O TYR A 73 2.696 -1.523 -5.742 1.00 0.00 O ATOM 1191 CB TYR A 73 5.374 -2.786 -4.545 1.00 0.00 C ATOM 1192 CG TYR A 73 5.851 -4.090 -3.945 1.00 0.00 C ATOM 1193 CD1 TYR A 73 6.021 -4.223 -2.573 1.00 0.00 C ATOM 1194 CD2 TYR A 73 6.131 -5.186 -4.751 1.00 0.00 C ATOM 1195 CE1 TYR A 73 6.457 -5.412 -2.020 1.00 0.00 C ATOM 1196 CE2 TYR A 73 6.566 -6.379 -4.207 1.00 0.00 C ATOM 1197 CZ TYR A 73 6.728 -6.487 -2.841 1.00 0.00 C ATOM 1198 OH TYR A 73 7.163 -7.673 -2.296 1.00 0.00 O ATOM 0 H TYR A 73 3.591 -4.276 -3.601 1.00 0.00 H new ATOM 0 HA TYR A 73 4.307 -1.802 -2.958 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.222 -2.922 -5.616 1.00 0.00 H new ATOM 0 HB3 TYR A 73 6.155 -2.034 -4.427 1.00 0.00 H new ATOM 0 HD1 TYR A 73 5.809 -3.383 -1.928 1.00 0.00 H new ATOM 0 HD2 TYR A 73 6.007 -5.104 -5.821 1.00 0.00 H new ATOM 0 HE1 TYR A 73 6.585 -5.499 -0.951 1.00 0.00 H new ATOM 0 HE2 TYR A 73 6.778 -7.222 -4.847 1.00 0.00 H new ATOM 0 HH TYR A 73 7.307 -8.328 -3.011 1.00 0.00 H new ATOM 1208 N SER A 74 3.784 0.057 -4.566 1.00 0.00 N ATOM 1209 CA SER A 74 3.256 1.163 -5.355 1.00 0.00 C ATOM 1210 C SER A 74 3.848 1.161 -6.760 1.00 0.00 C ATOM 1211 O SER A 74 3.131 1.306 -7.750 1.00 0.00 O ATOM 1212 CB SER A 74 3.553 2.497 -4.666 1.00 0.00 C ATOM 1213 OG SER A 74 3.245 3.589 -5.514 1.00 0.00 O ATOM 0 H SER A 74 4.413 0.338 -3.814 1.00 0.00 H new ATOM 0 HA SER A 74 2.176 1.036 -5.435 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.973 2.572 -3.746 1.00 0.00 H new ATOM 0 HB3 SER A 74 4.605 2.538 -4.383 1.00 0.00 H new ATOM 0 HG SER A 74 3.442 4.429 -5.050 1.00 0.00 H new