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 Single : A 4 LYS NZ :NH3+ 137:sc= 1.26 (180deg=0.502) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= 0.015 X(o=0.015,f=-0.046) USER MOD Single : A 11 SER OG : rot 100:sc= -0.301 USER MOD Single : A 15 THR OG1 : rot -63:sc= 0.138 USER MOD Single : A 21 GLN : amide:sc= -0.235 K(o=-0.23,f=-0.82) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 ASN : amide:sc= -1.02 X(o=-1,f=-1.4) USER MOD Single : A 57 THR OG1 : rot 85:sc= 0.845 USER MOD Single : A 59 SER OG : rot -170:sc= 0.572 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc= -1.38 K(o=-1.4,f=-0.45) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl -130:sc= -3.24! (180deg=-8.69!) USER MOD Single : A 73 TYR OH : rot 180:sc= -0.0852 USER MOD Single : A 74 SER OG : rot -73:sc= 1.06 USER MOD ----------------------------------------------------------------- ATOM 97 N LYS A 4 6.706 2.844 -0.908 1.00 0.00 N ATOM 98 CA LYS A 4 5.373 2.765 -0.320 1.00 0.00 C ATOM 99 C LYS A 4 4.578 1.613 -0.923 1.00 0.00 C ATOM 100 O LYS A 4 4.965 1.046 -1.947 1.00 0.00 O ATOM 101 CB LYS A 4 4.623 4.082 -0.531 1.00 0.00 C ATOM 102 CG LYS A 4 5.432 5.311 -0.156 1.00 0.00 C ATOM 103 CD LYS A 4 4.667 6.593 -0.444 1.00 0.00 C ATOM 104 CE LYS A 4 5.604 7.785 -0.564 1.00 0.00 C ATOM 105 NZ LYS A 4 6.057 8.270 0.769 1.00 0.00 N ATOM 0 HA LYS A 4 5.485 2.584 0.749 1.00 0.00 H new ATOM 0 HB2 LYS A 4 4.327 4.158 -1.577 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.707 4.067 0.059 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.689 5.270 0.903 1.00 0.00 H new ATOM 0 HG3 LYS A 4 6.370 5.314 -0.711 1.00 0.00 H new ATOM 0 HD2 LYS A 4 4.100 6.480 -1.368 1.00 0.00 H new ATOM 0 HD3 LYS A 4 3.946 6.774 0.353 1.00 0.00 H new ATOM 0 HE2 LYS A 4 6.471 7.507 -1.163 1.00 0.00 H new ATOM 0 HE3 LYS A 4 5.098 8.593 -1.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 7.075 8.480 0.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 5.534 9.133 1.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 5.879 7.536 1.484 1.00 0.00 H new ATOM 119 N LEU A 5 3.465 1.269 -0.285 1.00 0.00 N ATOM 120 CA LEU A 5 2.614 0.184 -0.760 1.00 0.00 C ATOM 121 C LEU A 5 1.295 0.724 -1.304 1.00 0.00 C ATOM 122 O LEU A 5 0.654 1.570 -0.680 1.00 0.00 O ATOM 123 CB LEU A 5 2.343 -0.811 0.369 1.00 0.00 C ATOM 124 CG LEU A 5 3.541 -1.168 1.251 1.00 0.00 C ATOM 125 CD1 LEU A 5 3.093 -1.975 2.459 1.00 0.00 C ATOM 126 CD2 LEU A 5 4.581 -1.938 0.449 1.00 0.00 C ATOM 0 H LEU A 5 3.131 1.726 0.563 1.00 0.00 H new ATOM 0 HA LEU A 5 3.138 -0.327 -1.568 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.558 -0.403 1.005 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.953 -1.730 -0.069 1.00 0.00 H new ATOM 0 HG LEU A 5 3.995 -0.243 1.606 1.00 0.00 H new ATOM 0 HD11 LEU A 5 3.959 -2.220 3.075 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.385 -1.390 3.045 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.614 -2.895 2.125 1.00 0.00 H new ATOM 0 HD21 LEU A 5 5.427 -2.184 1.091 1.00 0.00 H new ATOM 0 HD22 LEU A 5 4.137 -2.857 0.065 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.925 -1.325 -0.384 1.00 0.00 H new ATOM 138 N TYR A 6 0.895 0.229 -2.470 1.00 0.00 N ATOM 139 CA TYR A 6 -0.347 0.662 -3.099 1.00 0.00 C ATOM 140 C TYR A 6 -1.498 -0.271 -2.732 1.00 0.00 C ATOM 141 O TYR A 6 -1.380 -1.492 -2.843 1.00 0.00 O ATOM 142 CB TYR A 6 -0.183 0.716 -4.618 1.00 0.00 C ATOM 143 CG TYR A 6 -1.491 0.625 -5.372 1.00 0.00 C ATOM 144 CD1 TYR A 6 -2.168 -0.583 -5.484 1.00 0.00 C ATOM 145 CD2 TYR A 6 -2.048 1.746 -5.973 1.00 0.00 C ATOM 146 CE1 TYR A 6 -3.362 -0.672 -6.173 1.00 0.00 C ATOM 147 CE2 TYR A 6 -3.243 1.667 -6.662 1.00 0.00 C ATOM 148 CZ TYR A 6 -3.896 0.456 -6.759 1.00 0.00 C ATOM 149 OH TYR A 6 -5.085 0.374 -7.446 1.00 0.00 O ATOM 0 H TYR A 6 1.413 -0.473 -2.999 1.00 0.00 H new ATOM 0 HA TYR A 6 -0.582 1.661 -2.731 1.00 0.00 H new ATOM 0 HB2 TYR A 6 0.318 1.645 -4.888 1.00 0.00 H new ATOM 0 HB3 TYR A 6 0.467 -0.100 -4.934 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -1.754 -1.468 -5.024 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -1.539 2.696 -5.901 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -3.874 -1.620 -6.252 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -3.664 2.549 -7.122 1.00 0.00 H new ATOM 0 HH TYR A 6 -5.322 1.258 -7.796 1.00 0.00 H new ATOM 159 N ILE A 7 -2.608 0.313 -2.296 1.00 0.00 N ATOM 160 CA ILE A 7 -3.780 -0.466 -1.916 1.00 0.00 C ATOM 161 C ILE A 7 -4.925 -0.254 -2.901 1.00 0.00 C ATOM 162 O ILE A 7 -5.374 0.871 -3.114 1.00 0.00 O ATOM 163 CB ILE A 7 -4.264 -0.100 -0.500 1.00 0.00 C ATOM 164 CG1 ILE A 7 -3.097 -0.149 0.489 1.00 0.00 C ATOM 165 CG2 ILE A 7 -5.377 -1.039 -0.061 1.00 0.00 C ATOM 166 CD1 ILE A 7 -3.454 0.356 1.870 1.00 0.00 C ATOM 0 H ILE A 7 -2.721 1.322 -2.197 1.00 0.00 H new ATOM 0 HA ILE A 7 -3.480 -1.514 -1.931 1.00 0.00 H new ATOM 0 HB ILE A 7 -4.659 0.916 -0.518 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.741 -1.176 0.567 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.272 0.445 0.095 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -5.708 -0.767 0.941 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -6.215 -0.959 -0.754 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -5.007 -2.064 -0.055 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.580 0.292 2.518 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.782 1.393 1.804 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -4.258 -0.253 2.284 1.00 0.00 H new ATOM 178 N GLY A 8 -5.394 -1.345 -3.499 1.00 0.00 N ATOM 179 CA GLY A 8 -6.483 -1.258 -4.454 1.00 0.00 C ATOM 180 C GLY A 8 -7.740 -1.950 -3.965 1.00 0.00 C ATOM 181 O GLY A 8 -7.690 -2.758 -3.037 1.00 0.00 O ATOM 0 H GLY A 8 -5.039 -2.288 -3.339 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -6.704 -0.209 -4.654 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -6.170 -1.704 -5.398 1.00 0.00 H new ATOM 185 N ASN A 9 -8.869 -1.632 -4.587 1.00 0.00 N ATOM 186 CA ASN A 9 -10.145 -2.227 -4.208 1.00 0.00 C ATOM 187 C ASN A 9 -10.628 -1.673 -2.870 1.00 0.00 C ATOM 188 O ASN A 9 -11.146 -2.411 -2.031 1.00 0.00 O ATOM 189 CB ASN A 9 -10.018 -3.749 -4.126 1.00 0.00 C ATOM 190 CG ASN A 9 -11.331 -4.456 -4.399 1.00 0.00 C ATOM 191 OD1 ASN A 9 -11.596 -4.885 -5.522 1.00 0.00 O ATOM 192 ND2 ASN A 9 -12.162 -4.580 -3.370 1.00 0.00 N ATOM 0 H ASN A 9 -8.927 -0.965 -5.357 1.00 0.00 H new ATOM 0 HA ASN A 9 -10.878 -1.971 -4.973 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -9.271 -4.087 -4.844 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -9.658 -4.028 -3.136 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -13.061 -5.046 -3.494 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -11.901 -4.209 -2.456 1.00 0.00 H new ATOM 199 N LEU A 10 -10.454 -0.370 -2.679 1.00 0.00 N ATOM 200 CA LEU A 10 -10.872 0.284 -1.443 1.00 0.00 C ATOM 201 C LEU A 10 -12.275 0.866 -1.584 1.00 0.00 C ATOM 202 O LEU A 10 -12.526 1.706 -2.448 1.00 0.00 O ATOM 203 CB LEU A 10 -9.884 1.390 -1.069 1.00 0.00 C ATOM 204 CG LEU A 10 -8.578 0.931 -0.420 1.00 0.00 C ATOM 205 CD1 LEU A 10 -7.712 2.128 -0.058 1.00 0.00 C ATOM 206 CD2 LEU A 10 -8.864 0.085 0.812 1.00 0.00 C ATOM 0 H LEU A 10 -10.027 0.254 -3.363 1.00 0.00 H new ATOM 0 HA LEU A 10 -10.886 -0.465 -0.651 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.641 1.952 -1.970 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -10.382 2.080 -0.388 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.033 0.319 -1.138 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.787 1.782 0.403 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.479 2.694 -0.960 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -8.249 2.767 0.643 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -7.923 -0.233 1.261 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -9.430 0.673 1.534 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -9.444 -0.792 0.524 1.00 0.00 H new ATOM 218 N SER A 11 -13.186 0.415 -0.726 1.00 0.00 N ATOM 219 CA SER A 11 -14.564 0.890 -0.755 1.00 0.00 C ATOM 220 C SER A 11 -14.614 2.414 -0.729 1.00 0.00 C ATOM 221 O SER A 11 -13.744 3.079 -0.167 1.00 0.00 O ATOM 222 CB SER A 11 -15.346 0.322 0.431 1.00 0.00 C ATOM 223 OG SER A 11 -14.895 -0.980 0.762 1.00 0.00 O ATOM 0 H SER A 11 -12.994 -0.278 -0.003 1.00 0.00 H new ATOM 0 HA SER A 11 -15.022 0.545 -1.682 1.00 0.00 H new ATOM 0 HB2 SER A 11 -15.234 0.979 1.293 1.00 0.00 H new ATOM 0 HB3 SER A 11 -16.408 0.292 0.189 1.00 0.00 H new ATOM 0 HG SER A 11 -14.287 -0.930 1.529 1.00 0.00 H new ATOM 229 N PRO A 12 -15.657 2.982 -1.354 1.00 0.00 N ATOM 230 CA PRO A 12 -15.847 4.434 -1.416 1.00 0.00 C ATOM 231 C PRO A 12 -16.208 5.030 -0.060 1.00 0.00 C ATOM 232 O PRO A 12 -16.413 6.238 0.063 1.00 0.00 O ATOM 233 CB PRO A 12 -17.010 4.597 -2.399 1.00 0.00 C ATOM 234 CG PRO A 12 -17.759 3.312 -2.315 1.00 0.00 C ATOM 235 CD PRO A 12 -16.731 2.250 -2.044 1.00 0.00 C ATOM 0 HA PRO A 12 -14.937 4.952 -1.720 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -17.642 5.442 -2.128 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -16.650 4.780 -3.411 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -18.504 3.346 -1.520 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -18.293 3.110 -3.244 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -17.134 1.450 -1.424 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -16.376 1.790 -2.966 1.00 0.00 H new ATOM 243 N ALA A 13 -16.285 4.176 0.956 1.00 0.00 N ATOM 244 CA ALA A 13 -16.618 4.621 2.304 1.00 0.00 C ATOM 245 C ALA A 13 -15.405 4.540 3.224 1.00 0.00 C ATOM 246 O ALA A 13 -15.385 5.145 4.295 1.00 0.00 O ATOM 247 CB ALA A 13 -17.764 3.791 2.863 1.00 0.00 C ATOM 0 H ALA A 13 -16.121 3.173 0.871 1.00 0.00 H new ATOM 0 HA ALA A 13 -16.930 5.664 2.250 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -18.003 4.133 3.870 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -18.640 3.903 2.224 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -17.471 2.742 2.896 1.00 0.00 H new ATOM 253 N VAL A 14 -14.395 3.787 2.800 1.00 0.00 N ATOM 254 CA VAL A 14 -13.178 3.627 3.587 1.00 0.00 C ATOM 255 C VAL A 14 -12.529 4.976 3.876 1.00 0.00 C ATOM 256 O VAL A 14 -12.335 5.792 2.973 1.00 0.00 O ATOM 257 CB VAL A 14 -12.158 2.724 2.867 1.00 0.00 C ATOM 258 CG1 VAL A 14 -10.881 2.605 3.682 1.00 0.00 C ATOM 259 CG2 VAL A 14 -12.759 1.353 2.597 1.00 0.00 C ATOM 0 H VAL A 14 -14.396 3.278 1.916 1.00 0.00 H new ATOM 0 HA VAL A 14 -13.469 3.157 4.527 1.00 0.00 H new ATOM 0 HB VAL A 14 -11.907 3.180 1.909 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -10.173 1.963 3.157 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -10.443 3.594 3.818 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -11.110 2.172 4.656 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -12.025 0.728 2.088 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -13.040 0.887 3.541 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -13.643 1.461 1.968 1.00 0.00 H new ATOM 269 N THR A 15 -12.195 5.207 5.142 1.00 0.00 N ATOM 270 CA THR A 15 -11.569 6.457 5.551 1.00 0.00 C ATOM 271 C THR A 15 -10.174 6.215 6.116 1.00 0.00 C ATOM 272 O THR A 15 -9.854 5.110 6.552 1.00 0.00 O ATOM 273 CB THR A 15 -12.417 7.191 6.608 1.00 0.00 C ATOM 274 OG1 THR A 15 -12.644 6.336 7.734 1.00 0.00 O ATOM 275 CG2 THR A 15 -13.750 7.630 6.021 1.00 0.00 C ATOM 0 H THR A 15 -12.348 4.544 5.902 1.00 0.00 H new ATOM 0 HA THR A 15 -11.494 7.079 4.659 1.00 0.00 H new ATOM 0 HB THR A 15 -11.870 8.077 6.930 1.00 0.00 H new ATOM 0 HG1 THR A 15 -13.161 5.553 7.451 1.00 0.00 H new ATOM 0 HG21 THR A 15 -14.332 8.146 6.785 1.00 0.00 H new ATOM 0 HG22 THR A 15 -13.574 8.304 5.182 1.00 0.00 H new ATOM 0 HG23 THR A 15 -14.301 6.755 5.675 1.00 0.00 H new ATOM 283 N ALA A 16 -9.347 7.256 6.105 1.00 0.00 N ATOM 284 CA ALA A 16 -7.987 7.156 6.618 1.00 0.00 C ATOM 285 C ALA A 16 -7.976 6.612 8.042 1.00 0.00 C ATOM 286 O ALA A 16 -7.104 5.825 8.410 1.00 0.00 O ATOM 287 CB ALA A 16 -7.301 8.513 6.565 1.00 0.00 C ATOM 0 H ALA A 16 -9.596 8.178 5.746 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.438 6.458 5.986 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.286 8.423 6.951 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -7.267 8.863 5.533 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -7.858 9.226 7.172 1.00 0.00 H new ATOM 293 N ASP A 17 -8.949 7.037 8.841 1.00 0.00 N ATOM 294 CA ASP A 17 -9.052 6.593 10.226 1.00 0.00 C ATOM 295 C ASP A 17 -9.241 5.080 10.297 1.00 0.00 C ATOM 296 O ASP A 17 -8.632 4.408 11.131 1.00 0.00 O ATOM 297 CB ASP A 17 -10.215 7.298 10.925 1.00 0.00 C ATOM 298 CG ASP A 17 -10.398 6.831 12.356 1.00 0.00 C ATOM 299 OD1 ASP A 17 -10.744 5.649 12.555 1.00 0.00 O ATOM 300 OD2 ASP A 17 -10.197 7.651 13.277 1.00 0.00 O ATOM 0 H ASP A 17 -9.678 7.689 8.553 1.00 0.00 H new ATOM 0 HA ASP A 17 -8.123 6.851 10.735 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -10.042 8.374 10.916 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -11.134 7.118 10.367 1.00 0.00 H new ATOM 305 N ASP A 18 -10.088 4.552 9.421 1.00 0.00 N ATOM 306 CA ASP A 18 -10.356 3.120 9.386 1.00 0.00 C ATOM 307 C ASP A 18 -9.103 2.340 9.000 1.00 0.00 C ATOM 308 O ASP A 18 -8.832 1.269 9.543 1.00 0.00 O ATOM 309 CB ASP A 18 -11.485 2.815 8.399 1.00 0.00 C ATOM 310 CG ASP A 18 -12.857 2.953 9.028 1.00 0.00 C ATOM 311 OD1 ASP A 18 -13.089 2.335 10.089 1.00 0.00 O ATOM 312 OD2 ASP A 18 -13.699 3.680 8.461 1.00 0.00 O ATOM 0 H ASP A 18 -10.601 5.094 8.726 1.00 0.00 H new ATOM 0 HA ASP A 18 -10.662 2.809 10.385 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -11.410 3.490 7.546 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -11.365 1.802 8.016 1.00 0.00 H new ATOM 317 N LEU A 19 -8.341 2.885 8.056 1.00 0.00 N ATOM 318 CA LEU A 19 -7.115 2.241 7.596 1.00 0.00 C ATOM 319 C LEU A 19 -6.126 2.070 8.745 1.00 0.00 C ATOM 320 O LEU A 19 -5.560 0.993 8.934 1.00 0.00 O ATOM 321 CB LEU A 19 -6.476 3.061 6.475 1.00 0.00 C ATOM 322 CG LEU A 19 -6.870 2.672 5.050 1.00 0.00 C ATOM 323 CD1 LEU A 19 -6.108 3.512 4.036 1.00 0.00 C ATOM 324 CD2 LEU A 19 -6.619 1.190 4.813 1.00 0.00 C ATOM 0 H LEU A 19 -8.551 3.770 7.595 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.373 1.253 7.214 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.732 4.109 6.628 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.393 2.981 6.566 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.935 2.865 4.923 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.402 3.220 3.028 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.338 4.566 4.191 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.037 3.352 4.162 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.905 0.931 3.794 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.561 0.972 4.959 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.211 0.604 5.516 1.00 0.00 H new ATOM 336 N ARG A 20 -5.924 3.137 9.510 1.00 0.00 N ATOM 337 CA ARG A 20 -5.005 3.104 10.640 1.00 0.00 C ATOM 338 C ARG A 20 -5.470 2.101 11.691 1.00 0.00 C ATOM 339 O ARG A 20 -4.671 1.328 12.220 1.00 0.00 O ATOM 340 CB ARG A 20 -4.883 4.495 11.266 1.00 0.00 C ATOM 341 CG ARG A 20 -3.958 5.428 10.503 1.00 0.00 C ATOM 342 CD ARG A 20 -4.194 6.881 10.884 1.00 0.00 C ATOM 343 NE ARG A 20 -3.034 7.720 10.589 1.00 0.00 N ATOM 344 CZ ARG A 20 -2.814 8.897 11.164 1.00 0.00 C ATOM 345 NH1 ARG A 20 -3.668 9.371 12.059 1.00 0.00 N ATOM 346 NH2 ARG A 20 -1.736 9.601 10.843 1.00 0.00 N ATOM 0 H ARG A 20 -6.385 4.036 9.367 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.028 2.791 10.272 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.874 4.946 11.323 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -4.519 4.393 12.289 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -2.921 5.161 10.707 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.115 5.302 9.432 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.062 7.261 10.345 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.426 6.944 11.947 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.357 7.383 9.905 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.497 8.832 12.308 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -3.496 10.275 12.499 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -1.076 9.238 10.155 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -1.567 10.505 11.285 1.00 0.00 H new ATOM 360 N GLN A 21 -6.765 2.120 11.987 1.00 0.00 N ATOM 361 CA GLN A 21 -7.335 1.211 12.975 1.00 0.00 C ATOM 362 C GLN A 21 -7.259 -0.234 12.495 1.00 0.00 C ATOM 363 O GLN A 21 -6.987 -1.146 13.277 1.00 0.00 O ATOM 364 CB GLN A 21 -8.789 1.589 13.266 1.00 0.00 C ATOM 365 CG GLN A 21 -8.936 2.865 14.077 1.00 0.00 C ATOM 366 CD GLN A 21 -8.242 2.785 15.423 1.00 0.00 C ATOM 367 OE1 GLN A 21 -8.143 1.713 16.020 1.00 0.00 O ATOM 368 NE2 GLN A 21 -7.755 3.922 15.907 1.00 0.00 N ATOM 0 H GLN A 21 -7.439 2.754 11.558 1.00 0.00 H new ATOM 0 HA GLN A 21 -6.752 1.300 13.892 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -9.321 1.705 12.322 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -9.268 0.770 13.803 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -8.525 3.701 13.510 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -9.995 3.073 14.230 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -7.860 4.788 15.378 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -7.276 3.929 16.808 1.00 0.00 H new ATOM 377 N LEU A 22 -7.499 -0.437 11.204 1.00 0.00 N ATOM 378 CA LEU A 22 -7.457 -1.772 10.618 1.00 0.00 C ATOM 379 C LEU A 22 -6.065 -2.382 10.750 1.00 0.00 C ATOM 380 O LEU A 22 -5.916 -3.533 11.158 1.00 0.00 O ATOM 381 CB LEU A 22 -7.865 -1.717 9.145 1.00 0.00 C ATOM 382 CG LEU A 22 -7.895 -3.056 8.407 1.00 0.00 C ATOM 383 CD1 LEU A 22 -9.127 -3.856 8.801 1.00 0.00 C ATOM 384 CD2 LEU A 22 -7.859 -2.836 6.902 1.00 0.00 C ATOM 0 H LEU A 22 -7.725 0.306 10.543 1.00 0.00 H new ATOM 0 HA LEU A 22 -8.162 -2.402 11.161 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.855 -1.266 9.079 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.177 -1.052 8.623 1.00 0.00 H new ATOM 0 HG LEU A 22 -7.011 -3.626 8.692 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.131 -4.805 8.266 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -9.110 -4.045 9.874 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -10.024 -3.292 8.546 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.881 -3.800 6.393 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.724 -2.246 6.600 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.946 -2.305 6.634 1.00 0.00 H new ATOM 396 N PHE A 23 -5.048 -1.599 10.404 1.00 0.00 N ATOM 397 CA PHE A 23 -3.667 -2.061 10.484 1.00 0.00 C ATOM 398 C PHE A 23 -3.278 -2.363 11.929 1.00 0.00 C ATOM 399 O PHE A 23 -2.652 -3.383 12.214 1.00 0.00 O ATOM 400 CB PHE A 23 -2.720 -1.011 9.899 1.00 0.00 C ATOM 401 CG PHE A 23 -2.472 -1.181 8.428 1.00 0.00 C ATOM 402 CD1 PHE A 23 -3.522 -1.137 7.525 1.00 0.00 C ATOM 403 CD2 PHE A 23 -1.188 -1.387 7.948 1.00 0.00 C ATOM 404 CE1 PHE A 23 -3.297 -1.294 6.170 1.00 0.00 C ATOM 405 CE2 PHE A 23 -0.957 -1.544 6.594 1.00 0.00 C ATOM 406 CZ PHE A 23 -2.013 -1.498 5.704 1.00 0.00 C ATOM 0 H PHE A 23 -5.154 -0.643 10.066 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.583 -2.979 9.903 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -3.136 -0.019 10.077 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -1.768 -1.057 10.428 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -4.528 -0.978 7.884 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -0.359 -1.425 8.639 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -4.124 -1.257 5.477 1.00 0.00 H new ATOM 0 HE2 PHE A 23 0.048 -1.702 6.232 1.00 0.00 H new ATOM 0 HZ PHE A 23 -1.835 -1.621 4.646 1.00 0.00 H new ATOM 416 N GLY A 24 -3.653 -1.467 12.837 1.00 0.00 N ATOM 417 CA GLY A 24 -3.334 -1.655 14.239 1.00 0.00 C ATOM 418 C GLY A 24 -3.976 -2.901 14.818 1.00 0.00 C ATOM 419 O GLY A 24 -3.392 -3.568 15.672 1.00 0.00 O ATOM 0 H GLY A 24 -4.172 -0.615 12.626 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.252 -1.719 14.357 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.665 -0.784 14.804 1.00 0.00 H new ATOM 423 N ASP A 25 -5.181 -3.213 14.354 1.00 0.00 N ATOM 424 CA ASP A 25 -5.903 -4.386 14.832 1.00 0.00 C ATOM 425 C ASP A 25 -5.158 -5.668 14.473 1.00 0.00 C ATOM 426 O ASP A 25 -5.211 -6.655 15.206 1.00 0.00 O ATOM 427 CB ASP A 25 -7.313 -4.420 14.239 1.00 0.00 C ATOM 428 CG ASP A 25 -8.199 -5.451 14.910 1.00 0.00 C ATOM 429 OD1 ASP A 25 -7.786 -6.627 14.989 1.00 0.00 O ATOM 430 OD2 ASP A 25 -9.305 -5.082 15.358 1.00 0.00 O ATOM 0 H ASP A 25 -5.678 -2.670 13.648 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.974 -4.320 15.918 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -7.769 -3.435 14.337 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -7.250 -4.638 13.173 1.00 0.00 H new ATOM 435 N ARG A 26 -4.462 -5.644 13.339 1.00 0.00 N ATOM 436 CA ARG A 26 -3.708 -6.804 12.882 1.00 0.00 C ATOM 437 C ARG A 26 -2.280 -6.771 13.420 1.00 0.00 C ATOM 438 O ARG A 26 -1.395 -7.452 12.905 1.00 0.00 O ATOM 439 CB ARG A 26 -3.687 -6.855 11.353 1.00 0.00 C ATOM 440 CG ARG A 26 -4.918 -7.509 10.749 1.00 0.00 C ATOM 441 CD ARG A 26 -4.794 -9.025 10.734 1.00 0.00 C ATOM 442 NE ARG A 26 -5.117 -9.613 12.032 1.00 0.00 N ATOM 443 CZ ARG A 26 -4.762 -10.842 12.391 1.00 0.00 C ATOM 444 NH1 ARG A 26 -4.075 -11.608 11.554 1.00 0.00 N ATOM 445 NH2 ARG A 26 -5.093 -11.305 13.589 1.00 0.00 N ATOM 0 H ARG A 26 -4.406 -4.834 12.722 1.00 0.00 H new ATOM 0 HA ARG A 26 -4.201 -7.699 13.262 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -3.598 -5.840 10.965 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -2.800 -7.399 11.028 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -5.801 -7.221 11.319 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -5.063 -7.145 9.732 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -5.459 -9.436 9.974 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -3.778 -9.303 10.453 1.00 0.00 H new ATOM 0 HE ARG A 26 -5.644 -9.049 12.699 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -3.818 -11.254 10.633 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -3.804 -12.551 11.832 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -5.620 -10.718 14.235 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -4.820 -12.249 13.864 1.00 0.00 H new ATOM 459 N LYS A 27 -2.064 -5.971 14.459 1.00 0.00 N ATOM 460 CA LYS A 27 -0.745 -5.848 15.069 1.00 0.00 C ATOM 461 C LYS A 27 0.284 -5.373 14.049 1.00 0.00 C ATOM 462 O LYS A 27 1.408 -5.874 14.007 1.00 0.00 O ATOM 463 CB LYS A 27 -0.308 -7.189 15.664 1.00 0.00 C ATOM 464 CG LYS A 27 -0.798 -7.412 17.084 1.00 0.00 C ATOM 465 CD LYS A 27 -2.205 -7.990 17.104 1.00 0.00 C ATOM 466 CE LYS A 27 -2.919 -7.671 18.409 1.00 0.00 C ATOM 467 NZ LYS A 27 -2.644 -8.694 19.456 1.00 0.00 N ATOM 0 H LYS A 27 -2.786 -5.398 14.896 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.809 -5.107 15.866 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.677 -7.996 15.030 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.780 -7.245 15.651 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.118 -8.088 17.603 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.784 -6.467 17.627 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.777 -7.588 16.267 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.158 -9.070 16.968 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.602 -6.691 18.766 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.993 -7.613 18.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.148 -8.441 20.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.969 -9.625 19.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.622 -8.732 19.645 1.00 0.00 H new ATOM 481 N LEU A 28 -0.107 -4.404 13.227 1.00 0.00 N ATOM 482 CA LEU A 28 0.782 -3.861 12.206 1.00 0.00 C ATOM 483 C LEU A 28 0.761 -2.336 12.222 1.00 0.00 C ATOM 484 O LEU A 28 0.083 -1.693 11.421 1.00 0.00 O ATOM 485 CB LEU A 28 0.378 -4.374 10.824 1.00 0.00 C ATOM 486 CG LEU A 28 0.511 -5.881 10.602 1.00 0.00 C ATOM 487 CD1 LEU A 28 -0.473 -6.354 9.542 1.00 0.00 C ATOM 488 CD2 LEU A 28 1.936 -6.239 10.206 1.00 0.00 C ATOM 0 H LEU A 28 -1.034 -3.979 13.248 1.00 0.00 H new ATOM 0 HA LEU A 28 1.796 -4.195 12.427 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.659 -4.090 10.642 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.984 -3.862 10.077 1.00 0.00 H new ATOM 0 HG LEU A 28 0.277 -6.388 11.538 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.364 -7.429 9.398 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.490 -6.133 9.865 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.271 -5.839 8.603 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.011 -7.315 10.052 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.198 -5.721 9.283 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.621 -5.937 10.998 1.00 0.00 H new ATOM 500 N PRO A 29 1.522 -1.742 13.154 1.00 0.00 N ATOM 501 CA PRO A 29 1.610 -0.286 13.294 1.00 0.00 C ATOM 502 C PRO A 29 2.352 0.365 12.132 1.00 0.00 C ATOM 503 O PRO A 29 3.458 -0.047 11.780 1.00 0.00 O ATOM 504 CB PRO A 29 2.391 -0.101 14.597 1.00 0.00 C ATOM 505 CG PRO A 29 3.191 -1.349 14.740 1.00 0.00 C ATOM 506 CD PRO A 29 2.356 -2.447 14.141 1.00 0.00 C ATOM 0 HA PRO A 29 0.626 0.182 13.301 1.00 0.00 H new ATOM 0 HB2 PRO A 29 3.034 0.778 14.552 1.00 0.00 H new ATOM 0 HB3 PRO A 29 1.720 0.038 15.444 1.00 0.00 H new ATOM 0 HG2 PRO A 29 4.147 -1.261 14.225 1.00 0.00 H new ATOM 0 HG3 PRO A 29 3.411 -1.554 15.788 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.975 -3.212 13.671 1.00 0.00 H new ATOM 0 HD3 PRO A 29 1.749 -2.947 14.896 1.00 0.00 H new ATOM 514 N LEU A 30 1.738 1.382 11.538 1.00 0.00 N ATOM 515 CA LEU A 30 2.342 2.091 10.416 1.00 0.00 C ATOM 516 C LEU A 30 3.422 3.054 10.897 1.00 0.00 C ATOM 517 O LEU A 30 3.124 4.144 11.383 1.00 0.00 O ATOM 518 CB LEU A 30 1.272 2.856 9.635 1.00 0.00 C ATOM 519 CG LEU A 30 0.135 2.015 9.052 1.00 0.00 C ATOM 520 CD1 LEU A 30 -1.112 2.863 8.861 1.00 0.00 C ATOM 521 CD2 LEU A 30 0.560 1.383 7.735 1.00 0.00 C ATOM 0 H LEU A 30 0.822 1.734 11.815 1.00 0.00 H new ATOM 0 HA LEU A 30 2.805 1.354 9.760 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.839 3.609 10.294 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.759 3.389 8.818 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.098 1.216 9.756 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.910 2.248 8.445 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.428 3.267 9.823 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.893 3.683 8.178 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.261 0.788 7.335 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.821 2.166 7.023 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.425 0.741 7.902 1.00 0.00 H new ATOM 533 N ALA A 31 4.678 2.644 10.755 1.00 0.00 N ATOM 534 CA ALA A 31 5.804 3.472 11.172 1.00 0.00 C ATOM 535 C ALA A 31 6.163 4.492 10.096 1.00 0.00 C ATOM 536 O ALA A 31 7.337 4.772 9.859 1.00 0.00 O ATOM 537 CB ALA A 31 7.008 2.601 11.497 1.00 0.00 C ATOM 0 H ALA A 31 4.942 1.744 10.355 1.00 0.00 H new ATOM 0 HA ALA A 31 5.510 4.016 12.069 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.841 3.232 11.807 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.753 1.915 12.304 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.294 2.031 10.613 1.00 0.00 H new ATOM 543 N GLY A 32 5.141 5.044 9.447 1.00 0.00 N ATOM 544 CA GLY A 32 5.370 6.027 8.404 1.00 0.00 C ATOM 545 C GLY A 32 4.166 6.917 8.172 1.00 0.00 C ATOM 546 O GLY A 32 3.460 7.275 9.114 1.00 0.00 O ATOM 0 H GLY A 32 4.160 4.828 9.625 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.228 6.644 8.672 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.624 5.515 7.476 1.00 0.00 H new ATOM 550 N GLN A 33 3.931 7.276 6.914 1.00 0.00 N ATOM 551 CA GLN A 33 2.804 8.132 6.561 1.00 0.00 C ATOM 552 C GLN A 33 1.727 7.340 5.828 1.00 0.00 C ATOM 553 O GLN A 33 2.012 6.323 5.196 1.00 0.00 O ATOM 554 CB GLN A 33 3.275 9.299 5.693 1.00 0.00 C ATOM 555 CG GLN A 33 2.223 10.380 5.502 1.00 0.00 C ATOM 556 CD GLN A 33 2.807 11.680 4.985 1.00 0.00 C ATOM 557 OE1 GLN A 33 3.418 11.718 3.917 1.00 0.00 O ATOM 558 NE2 GLN A 33 2.623 12.754 5.743 1.00 0.00 N ATOM 0 H GLN A 33 4.506 6.988 6.122 1.00 0.00 H new ATOM 0 HA GLN A 33 2.376 8.524 7.483 1.00 0.00 H new ATOM 0 HB2 GLN A 33 4.162 9.743 6.146 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.573 8.917 4.716 1.00 0.00 H new ATOM 0 HG2 GLN A 33 1.465 10.024 4.804 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.721 10.564 6.452 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.110 12.677 6.621 1.00 0.00 H new ATOM 0 HE22 GLN A 33 2.995 13.657 5.447 1.00 0.00 H new ATOM 567 N VAL A 34 0.487 7.813 5.919 1.00 0.00 N ATOM 568 CA VAL A 34 -0.633 7.149 5.263 1.00 0.00 C ATOM 569 C VAL A 34 -1.342 8.092 4.298 1.00 0.00 C ATOM 570 O VAL A 34 -1.602 9.251 4.623 1.00 0.00 O ATOM 571 CB VAL A 34 -1.653 6.622 6.291 1.00 0.00 C ATOM 572 CG1 VAL A 34 -2.734 5.806 5.600 1.00 0.00 C ATOM 573 CG2 VAL A 34 -0.952 5.798 7.362 1.00 0.00 C ATOM 0 H VAL A 34 0.234 8.652 6.440 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.220 6.307 4.707 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.130 7.474 6.775 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.445 5.442 6.342 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.254 6.432 4.875 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.279 4.959 5.088 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.687 5.434 8.080 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.448 4.951 6.897 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.219 6.419 7.877 1.00 0.00 H new ATOM 583 N LEU A 35 -1.653 7.587 3.109 1.00 0.00 N ATOM 584 CA LEU A 35 -2.334 8.384 2.094 1.00 0.00 C ATOM 585 C LEU A 35 -3.557 7.650 1.554 1.00 0.00 C ATOM 586 O LEU A 35 -3.467 6.495 1.137 1.00 0.00 O ATOM 587 CB LEU A 35 -1.376 8.713 0.948 1.00 0.00 C ATOM 588 CG LEU A 35 -0.534 9.979 1.118 1.00 0.00 C ATOM 589 CD1 LEU A 35 0.778 9.658 1.815 1.00 0.00 C ATOM 590 CD2 LEU A 35 -0.279 10.635 -0.231 1.00 0.00 C ATOM 0 H LEU A 35 -1.445 6.630 2.824 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.667 9.312 2.560 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.701 7.868 0.811 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.958 8.808 0.031 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.089 10.681 1.741 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.363 10.571 1.927 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.574 9.235 2.799 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.339 8.938 1.220 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.321 11.534 -0.091 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.255 9.940 -0.879 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.230 10.902 -0.691 1.00 0.00 H new ATOM 602 N LEU A 36 -4.699 8.328 1.563 1.00 0.00 N ATOM 603 CA LEU A 36 -5.942 7.741 1.072 1.00 0.00 C ATOM 604 C LEU A 36 -6.412 8.444 -0.196 1.00 0.00 C ATOM 605 O LEU A 36 -6.760 9.626 -0.172 1.00 0.00 O ATOM 606 CB LEU A 36 -7.026 7.823 2.147 1.00 0.00 C ATOM 607 CG LEU A 36 -8.445 7.472 1.697 1.00 0.00 C ATOM 608 CD1 LEU A 36 -8.542 5.996 1.340 1.00 0.00 C ATOM 609 CD2 LEU A 36 -9.452 7.827 2.780 1.00 0.00 C ATOM 0 H LEU A 36 -4.791 9.285 1.905 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.753 6.694 0.835 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.750 7.157 2.964 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.034 8.836 2.550 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.678 8.057 0.807 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.559 5.765 1.022 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.848 5.771 0.530 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -8.289 5.393 2.212 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -10.456 7.570 2.442 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -9.221 7.270 3.688 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -9.401 8.896 2.988 1.00 0.00 H new ATOM 621 N LYS A 37 -6.423 7.711 -1.303 1.00 0.00 N ATOM 622 CA LYS A 37 -6.854 8.263 -2.583 1.00 0.00 C ATOM 623 C LYS A 37 -8.186 7.659 -3.014 1.00 0.00 C ATOM 624 O LYS A 37 -8.568 6.582 -2.557 1.00 0.00 O ATOM 625 CB LYS A 37 -5.794 8.005 -3.656 1.00 0.00 C ATOM 626 CG LYS A 37 -4.660 9.014 -3.646 1.00 0.00 C ATOM 627 CD LYS A 37 -5.094 10.348 -4.228 1.00 0.00 C ATOM 628 CE LYS A 37 -4.093 11.449 -3.910 1.00 0.00 C ATOM 629 NZ LYS A 37 -4.368 12.084 -2.592 1.00 0.00 N ATOM 0 H LYS A 37 -6.138 6.732 -1.341 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.985 9.338 -2.461 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -5.381 7.006 -3.514 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -6.271 8.017 -4.636 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.310 9.159 -2.624 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.819 8.623 -4.219 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.204 10.256 -5.309 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -6.072 10.618 -3.830 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.085 11.035 -3.910 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -4.126 12.207 -4.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.665 12.829 -2.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -5.320 12.502 -2.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -4.311 11.366 -1.842 1.00 0.00 H new ATOM 643 N SER A 38 -8.891 8.359 -3.898 1.00 0.00 N ATOM 644 CA SER A 38 -10.182 7.893 -4.389 1.00 0.00 C ATOM 645 C SER A 38 -10.019 6.637 -5.239 1.00 0.00 C ATOM 646 O SER A 38 -9.752 6.716 -6.438 1.00 0.00 O ATOM 647 CB SER A 38 -10.867 8.990 -5.206 1.00 0.00 C ATOM 648 OG SER A 38 -11.123 10.135 -4.409 1.00 0.00 O ATOM 0 H SER A 38 -8.589 9.251 -4.289 1.00 0.00 H new ATOM 0 HA SER A 38 -10.804 7.649 -3.528 1.00 0.00 H new ATOM 0 HB2 SER A 38 -10.237 9.265 -6.052 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.803 8.612 -5.616 1.00 0.00 H new ATOM 0 HG SER A 38 -11.560 10.822 -4.954 1.00 0.00 H new ATOM 654 N GLY A 39 -10.180 5.478 -4.609 1.00 0.00 N ATOM 655 CA GLY A 39 -10.048 4.221 -5.322 1.00 0.00 C ATOM 656 C GLY A 39 -8.846 3.419 -4.863 1.00 0.00 C ATOM 657 O GLY A 39 -8.766 2.214 -5.105 1.00 0.00 O ATOM 0 H GLY A 39 -10.400 5.387 -3.617 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -10.952 3.629 -5.180 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.962 4.420 -6.390 1.00 0.00 H new ATOM 661 N TYR A 40 -7.909 4.087 -4.201 1.00 0.00 N ATOM 662 CA TYR A 40 -6.703 3.429 -3.710 1.00 0.00 C ATOM 663 C TYR A 40 -6.096 4.203 -2.544 1.00 0.00 C ATOM 664 O TYR A 40 -6.582 5.271 -2.173 1.00 0.00 O ATOM 665 CB TYR A 40 -5.677 3.294 -4.836 1.00 0.00 C ATOM 666 CG TYR A 40 -5.561 4.528 -5.702 1.00 0.00 C ATOM 667 CD1 TYR A 40 -6.357 4.687 -6.831 1.00 0.00 C ATOM 668 CD2 TYR A 40 -4.658 5.537 -5.391 1.00 0.00 C ATOM 669 CE1 TYR A 40 -6.254 5.813 -7.624 1.00 0.00 C ATOM 670 CE2 TYR A 40 -4.549 6.667 -6.178 1.00 0.00 C ATOM 671 CZ TYR A 40 -5.349 6.800 -7.293 1.00 0.00 C ATOM 672 OH TYR A 40 -5.245 7.924 -8.081 1.00 0.00 O ATOM 0 H TYR A 40 -7.960 5.084 -3.991 1.00 0.00 H new ATOM 0 HA TYR A 40 -6.980 2.435 -3.358 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -4.702 3.072 -4.403 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -5.948 2.445 -5.463 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -7.068 3.917 -7.092 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -4.030 5.436 -4.518 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -6.879 5.920 -8.499 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -3.841 7.442 -5.921 1.00 0.00 H new ATOM 0 HH TYR A 40 -4.563 8.522 -7.710 1.00 0.00 H new ATOM 682 N ALA A 41 -5.030 3.656 -1.970 1.00 0.00 N ATOM 683 CA ALA A 41 -4.353 4.294 -0.848 1.00 0.00 C ATOM 684 C ALA A 41 -2.896 3.852 -0.761 1.00 0.00 C ATOM 685 O ALA A 41 -2.557 2.724 -1.120 1.00 0.00 O ATOM 686 CB ALA A 41 -5.080 3.983 0.452 1.00 0.00 C ATOM 0 H ALA A 41 -4.616 2.771 -2.264 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.368 5.372 -1.012 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.564 4.466 1.282 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.103 4.355 0.395 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.095 2.905 0.612 1.00 0.00 H new ATOM 692 N PHE A 42 -2.039 4.748 -0.284 1.00 0.00 N ATOM 693 CA PHE A 42 -0.618 4.451 -0.152 1.00 0.00 C ATOM 694 C PHE A 42 -0.200 4.432 1.316 1.00 0.00 C ATOM 695 O PHE A 42 -0.716 5.199 2.130 1.00 0.00 O ATOM 696 CB PHE A 42 0.215 5.480 -0.918 1.00 0.00 C ATOM 697 CG PHE A 42 -0.312 5.772 -2.294 1.00 0.00 C ATOM 698 CD1 PHE A 42 -0.190 4.837 -3.309 1.00 0.00 C ATOM 699 CD2 PHE A 42 -0.929 6.981 -2.573 1.00 0.00 C ATOM 700 CE1 PHE A 42 -0.672 5.102 -4.577 1.00 0.00 C ATOM 701 CE2 PHE A 42 -1.415 7.252 -3.839 1.00 0.00 C ATOM 702 CZ PHE A 42 -1.286 6.311 -4.841 1.00 0.00 C ATOM 0 H PHE A 42 -2.304 5.686 0.018 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.439 3.463 -0.576 1.00 0.00 H new ATOM 0 HB2 PHE A 42 0.249 6.407 -0.346 1.00 0.00 H new ATOM 0 HB3 PHE A 42 1.240 5.118 -0.999 1.00 0.00 H new ATOM 0 HD1 PHE A 42 0.288 3.890 -3.107 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -1.032 7.720 -1.792 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -0.569 4.365 -5.360 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -1.895 8.198 -4.043 1.00 0.00 H new ATOM 0 HZ PHE A 42 -1.665 6.520 -5.831 1.00 0.00 H new ATOM 712 N VAL A 43 0.739 3.552 1.647 1.00 0.00 N ATOM 713 CA VAL A 43 1.228 3.434 3.015 1.00 0.00 C ATOM 714 C VAL A 43 2.734 3.196 3.043 1.00 0.00 C ATOM 715 O VAL A 43 3.271 2.461 2.214 1.00 0.00 O ATOM 716 CB VAL A 43 0.524 2.288 3.765 1.00 0.00 C ATOM 717 CG1 VAL A 43 -0.943 2.619 3.992 1.00 0.00 C ATOM 718 CG2 VAL A 43 0.673 0.981 3.001 1.00 0.00 C ATOM 0 H VAL A 43 1.176 2.910 0.986 1.00 0.00 H new ATOM 0 HA VAL A 43 1.004 4.377 3.514 1.00 0.00 H new ATOM 0 HB VAL A 43 0.999 2.169 4.739 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.423 1.797 4.523 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.023 3.530 4.585 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.436 2.767 3.031 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.170 0.182 3.545 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.226 1.084 2.012 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.731 0.739 2.897 1.00 0.00 H new ATOM 728 N ASP A 44 3.408 3.821 4.002 1.00 0.00 N ATOM 729 CA ASP A 44 4.853 3.676 4.138 1.00 0.00 C ATOM 730 C ASP A 44 5.197 2.556 5.116 1.00 0.00 C ATOM 731 O ASP A 44 4.742 2.556 6.260 1.00 0.00 O ATOM 732 CB ASP A 44 5.477 4.990 4.609 1.00 0.00 C ATOM 733 CG ASP A 44 5.211 6.134 3.651 1.00 0.00 C ATOM 734 OD1 ASP A 44 4.069 6.638 3.629 1.00 0.00 O ATOM 735 OD2 ASP A 44 6.146 6.525 2.920 1.00 0.00 O ATOM 0 H ASP A 44 2.978 4.432 4.696 1.00 0.00 H new ATOM 0 HA ASP A 44 5.261 3.419 3.160 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.082 5.244 5.592 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.553 4.858 4.722 1.00 0.00 H new ATOM 740 N TYR A 45 6.000 1.602 4.657 1.00 0.00 N ATOM 741 CA TYR A 45 6.400 0.475 5.489 1.00 0.00 C ATOM 742 C TYR A 45 7.760 0.730 6.134 1.00 0.00 C ATOM 743 O TYR A 45 8.652 1.337 5.542 1.00 0.00 O ATOM 744 CB TYR A 45 6.451 -0.808 4.658 1.00 0.00 C ATOM 745 CG TYR A 45 7.438 -0.749 3.514 1.00 0.00 C ATOM 746 CD1 TYR A 45 8.783 -1.035 3.715 1.00 0.00 C ATOM 747 CD2 TYR A 45 7.025 -0.410 2.231 1.00 0.00 C ATOM 748 CE1 TYR A 45 9.688 -0.982 2.674 1.00 0.00 C ATOM 749 CE2 TYR A 45 7.924 -0.355 1.183 1.00 0.00 C ATOM 750 CZ TYR A 45 9.254 -0.642 1.409 1.00 0.00 C ATOM 751 OH TYR A 45 10.153 -0.589 0.368 1.00 0.00 O ATOM 0 H TYR A 45 6.386 1.588 3.713 1.00 0.00 H new ATOM 0 HA TYR A 45 5.658 0.359 6.279 1.00 0.00 H new ATOM 0 HB2 TYR A 45 6.711 -1.643 5.309 1.00 0.00 H new ATOM 0 HB3 TYR A 45 5.457 -1.013 4.259 1.00 0.00 H new ATOM 0 HD1 TYR A 45 9.126 -1.303 4.703 1.00 0.00 H new ATOM 0 HD2 TYR A 45 5.984 -0.186 2.050 1.00 0.00 H new ATOM 0 HE1 TYR A 45 10.730 -1.205 2.849 1.00 0.00 H new ATOM 0 HE2 TYR A 45 7.587 -0.089 0.192 1.00 0.00 H new ATOM 0 HH TYR A 45 9.686 -0.335 -0.455 1.00 0.00 H new ATOM 761 N PRO A 46 7.922 0.255 7.378 1.00 0.00 N ATOM 762 CA PRO A 46 9.170 0.417 8.131 1.00 0.00 C ATOM 763 C PRO A 46 10.306 -0.420 7.557 1.00 0.00 C ATOM 764 O PRO A 46 11.420 0.071 7.372 1.00 0.00 O ATOM 765 CB PRO A 46 8.802 -0.070 9.535 1.00 0.00 C ATOM 766 CG PRO A 46 7.667 -1.011 9.324 1.00 0.00 C ATOM 767 CD PRO A 46 6.900 -0.479 8.145 1.00 0.00 C ATOM 0 HA PRO A 46 9.533 1.444 8.103 1.00 0.00 H new ATOM 0 HB2 PRO A 46 9.645 -0.568 10.015 1.00 0.00 H new ATOM 0 HB3 PRO A 46 8.513 0.761 10.179 1.00 0.00 H new ATOM 0 HG2 PRO A 46 8.029 -2.021 9.131 1.00 0.00 H new ATOM 0 HG3 PRO A 46 7.034 -1.063 10.210 1.00 0.00 H new ATOM 0 HD2 PRO A 46 6.457 -1.283 7.558 1.00 0.00 H new ATOM 0 HD3 PRO A 46 6.085 0.174 8.457 1.00 0.00 H new ATOM 775 N ASP A 47 10.019 -1.687 7.277 1.00 0.00 N ATOM 776 CA ASP A 47 11.018 -2.593 6.722 1.00 0.00 C ATOM 777 C ASP A 47 10.404 -3.487 5.648 1.00 0.00 C ATOM 778 O ASP A 47 9.184 -3.578 5.528 1.00 0.00 O ATOM 779 CB ASP A 47 11.629 -3.453 7.829 1.00 0.00 C ATOM 780 CG ASP A 47 12.265 -2.619 8.925 1.00 0.00 C ATOM 781 OD1 ASP A 47 11.528 -2.150 9.816 1.00 0.00 O ATOM 782 OD2 ASP A 47 13.500 -2.436 8.890 1.00 0.00 O ATOM 0 H ASP A 47 9.103 -2.110 7.425 1.00 0.00 H new ATOM 0 HA ASP A 47 11.803 -1.991 6.264 1.00 0.00 H new ATOM 0 HB2 ASP A 47 10.855 -4.087 8.262 1.00 0.00 H new ATOM 0 HB3 ASP A 47 12.380 -4.115 7.398 1.00 0.00 H new ATOM 787 N GLN A 48 11.260 -4.139 4.870 1.00 0.00 N ATOM 788 CA GLN A 48 10.802 -5.024 3.805 1.00 0.00 C ATOM 789 C GLN A 48 10.045 -6.218 4.377 1.00 0.00 C ATOM 790 O GLN A 48 9.033 -6.645 3.823 1.00 0.00 O ATOM 791 CB GLN A 48 11.989 -5.509 2.970 1.00 0.00 C ATOM 792 CG GLN A 48 11.583 -6.320 1.749 1.00 0.00 C ATOM 793 CD GLN A 48 12.721 -6.503 0.764 1.00 0.00 C ATOM 794 OE1 GLN A 48 12.712 -5.931 -0.326 1.00 0.00 O ATOM 795 NE2 GLN A 48 13.710 -7.302 1.146 1.00 0.00 N ATOM 0 H GLN A 48 12.274 -4.072 4.956 1.00 0.00 H new ATOM 0 HA GLN A 48 10.123 -4.460 3.165 1.00 0.00 H new ATOM 0 HB2 GLN A 48 12.571 -4.646 2.646 1.00 0.00 H new ATOM 0 HB3 GLN A 48 12.641 -6.116 3.598 1.00 0.00 H new ATOM 0 HG2 GLN A 48 11.225 -7.298 2.070 1.00 0.00 H new ATOM 0 HG3 GLN A 48 10.751 -5.824 1.249 1.00 0.00 H new ATOM 0 HE21 GLN A 48 13.676 -7.756 2.059 1.00 0.00 H new ATOM 0 HE22 GLN A 48 14.504 -7.462 0.527 1.00 0.00 H new ATOM 804 N ASN A 49 10.543 -6.751 5.487 1.00 0.00 N ATOM 805 CA ASN A 49 9.913 -7.897 6.134 1.00 0.00 C ATOM 806 C ASN A 49 8.505 -7.549 6.605 1.00 0.00 C ATOM 807 O ASN A 49 7.563 -8.316 6.402 1.00 0.00 O ATOM 808 CB ASN A 49 10.759 -8.369 7.318 1.00 0.00 C ATOM 809 CG ASN A 49 11.121 -7.235 8.258 1.00 0.00 C ATOM 810 OD1 ASN A 49 10.337 -6.866 9.134 1.00 0.00 O ATOM 811 ND2 ASN A 49 12.312 -6.677 8.080 1.00 0.00 N ATOM 0 H ASN A 49 11.381 -6.409 5.958 1.00 0.00 H new ATOM 0 HA ASN A 49 9.843 -8.703 5.403 1.00 0.00 H new ATOM 0 HB2 ASN A 49 10.213 -9.134 7.869 1.00 0.00 H new ATOM 0 HB3 ASN A 49 11.672 -8.835 6.946 1.00 0.00 H new ATOM 0 HD21 ASN A 49 12.611 -5.910 8.682 1.00 0.00 H new ATOM 0 HD22 ASN A 49 12.929 -7.016 7.341 1.00 0.00 H new ATOM 818 N TRP A 50 8.368 -6.388 7.236 1.00 0.00 N ATOM 819 CA TRP A 50 7.075 -5.938 7.737 1.00 0.00 C ATOM 820 C TRP A 50 6.079 -5.763 6.595 1.00 0.00 C ATOM 821 O TRP A 50 4.914 -6.138 6.712 1.00 0.00 O ATOM 822 CB TRP A 50 7.230 -4.622 8.501 1.00 0.00 C ATOM 823 CG TRP A 50 5.926 -4.045 8.961 1.00 0.00 C ATOM 824 CD1 TRP A 50 5.405 -4.100 10.223 1.00 0.00 C ATOM 825 CD2 TRP A 50 4.977 -3.327 8.164 1.00 0.00 C ATOM 826 NE1 TRP A 50 4.190 -3.459 10.258 1.00 0.00 N ATOM 827 CE2 TRP A 50 3.904 -2.977 9.008 1.00 0.00 C ATOM 828 CE3 TRP A 50 4.929 -2.946 6.820 1.00 0.00 C ATOM 829 CZ2 TRP A 50 2.799 -2.265 8.549 1.00 0.00 C ATOM 830 CZ3 TRP A 50 3.831 -2.240 6.367 1.00 0.00 C ATOM 831 CH2 TRP A 50 2.779 -1.905 7.229 1.00 0.00 C ATOM 0 H TRP A 50 9.137 -5.741 7.413 1.00 0.00 H new ATOM 0 HA TRP A 50 6.691 -6.700 8.415 1.00 0.00 H new ATOM 0 HB2 TRP A 50 7.872 -4.786 9.367 1.00 0.00 H new ATOM 0 HB3 TRP A 50 7.735 -3.897 7.863 1.00 0.00 H new ATOM 0 HD1 TRP A 50 5.878 -4.577 11.068 1.00 0.00 H new ATOM 0 HE1 TRP A 50 3.597 -3.358 11.082 1.00 0.00 H new ATOM 0 HE3 TRP A 50 5.736 -3.199 6.148 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 1.986 -2.006 9.211 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 3.783 -1.941 5.330 1.00 0.00 H new ATOM 0 HH2 TRP A 50 1.935 -1.352 6.844 1.00 0.00 H new ATOM 842 N ALA A 51 6.547 -5.191 5.490 1.00 0.00 N ATOM 843 CA ALA A 51 5.699 -4.969 4.326 1.00 0.00 C ATOM 844 C ALA A 51 5.221 -6.291 3.735 1.00 0.00 C ATOM 845 O ALA A 51 4.047 -6.439 3.393 1.00 0.00 O ATOM 846 CB ALA A 51 6.444 -4.158 3.277 1.00 0.00 C ATOM 0 H ALA A 51 7.510 -4.873 5.377 1.00 0.00 H new ATOM 0 HA ALA A 51 4.822 -4.407 4.648 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.798 -4.000 2.413 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.730 -3.194 3.698 1.00 0.00 H new ATOM 0 HB3 ALA A 51 7.339 -4.698 2.967 1.00 0.00 H new ATOM 852 N ILE A 52 6.135 -7.247 3.618 1.00 0.00 N ATOM 853 CA ILE A 52 5.807 -8.556 3.069 1.00 0.00 C ATOM 854 C ILE A 52 4.828 -9.300 3.971 1.00 0.00 C ATOM 855 O ILE A 52 3.853 -9.885 3.498 1.00 0.00 O ATOM 856 CB ILE A 52 7.067 -9.419 2.876 1.00 0.00 C ATOM 857 CG1 ILE A 52 8.046 -8.725 1.926 1.00 0.00 C ATOM 858 CG2 ILE A 52 6.691 -10.795 2.345 1.00 0.00 C ATOM 859 CD1 ILE A 52 9.467 -9.231 2.048 1.00 0.00 C ATOM 0 H ILE A 52 7.110 -7.139 3.897 1.00 0.00 H new ATOM 0 HA ILE A 52 5.344 -8.383 2.097 1.00 0.00 H new ATOM 0 HB ILE A 52 7.555 -9.545 3.843 1.00 0.00 H new ATOM 0 HG12 ILE A 52 7.706 -8.865 0.900 1.00 0.00 H new ATOM 0 HG13 ILE A 52 8.032 -7.653 2.122 1.00 0.00 H new ATOM 0 HG21 ILE A 52 7.593 -11.393 2.214 1.00 0.00 H new ATOM 0 HG22 ILE A 52 6.027 -11.290 3.054 1.00 0.00 H new ATOM 0 HG23 ILE A 52 6.183 -10.689 1.386 1.00 0.00 H new ATOM 0 HD11 ILE A 52 10.106 -8.695 1.346 1.00 0.00 H new ATOM 0 HD12 ILE A 52 9.826 -9.066 3.064 1.00 0.00 H new ATOM 0 HD13 ILE A 52 9.494 -10.297 1.822 1.00 0.00 H new ATOM 871 N ARG A 53 5.093 -9.273 5.272 1.00 0.00 N ATOM 872 CA ARG A 53 4.236 -9.945 6.242 1.00 0.00 C ATOM 873 C ARG A 53 2.893 -9.230 6.366 1.00 0.00 C ATOM 874 O ARG A 53 1.849 -9.869 6.503 1.00 0.00 O ATOM 875 CB ARG A 53 4.922 -10.004 7.607 1.00 0.00 C ATOM 876 CG ARG A 53 4.415 -11.127 8.496 1.00 0.00 C ATOM 877 CD ARG A 53 5.113 -12.442 8.184 1.00 0.00 C ATOM 878 NE ARG A 53 4.535 -13.106 7.019 1.00 0.00 N ATOM 879 CZ ARG A 53 3.390 -13.779 7.050 1.00 0.00 C ATOM 880 NH1 ARG A 53 2.704 -13.876 8.181 1.00 0.00 N ATOM 881 NH2 ARG A 53 2.929 -14.356 5.948 1.00 0.00 N ATOM 0 H ARG A 53 5.895 -8.793 5.680 1.00 0.00 H new ATOM 0 HA ARG A 53 4.057 -10.961 5.890 1.00 0.00 H new ATOM 0 HB2 ARG A 53 5.995 -10.125 7.460 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.776 -9.053 8.119 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.578 -10.866 9.542 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.340 -11.243 8.360 1.00 0.00 H new ATOM 0 HD2 ARG A 53 6.172 -12.257 8.007 1.00 0.00 H new ATOM 0 HD3 ARG A 53 5.045 -13.102 9.048 1.00 0.00 H new ATOM 0 HE ARG A 53 5.038 -13.050 6.133 1.00 0.00 H new ATOM 0 HH11 ARG A 53 3.055 -13.433 9.030 1.00 0.00 H new ATOM 0 HH12 ARG A 53 1.825 -14.393 8.202 1.00 0.00 H new ATOM 0 HH21 ARG A 53 3.454 -14.283 5.076 1.00 0.00 H new ATOM 0 HH22 ARG A 53 2.050 -14.873 5.972 1.00 0.00 H new ATOM 895 N ALA A 54 2.928 -7.903 6.319 1.00 0.00 N ATOM 896 CA ALA A 54 1.714 -7.103 6.425 1.00 0.00 C ATOM 897 C ALA A 54 0.800 -7.331 5.225 1.00 0.00 C ATOM 898 O ALA A 54 -0.408 -7.517 5.381 1.00 0.00 O ATOM 899 CB ALA A 54 2.064 -5.628 6.550 1.00 0.00 C ATOM 0 H ALA A 54 3.784 -7.359 6.208 1.00 0.00 H new ATOM 0 HA ALA A 54 1.179 -7.416 7.322 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.148 -5.042 6.628 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.672 -5.473 7.441 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.623 -5.311 5.670 1.00 0.00 H new ATOM 905 N ILE A 55 1.383 -7.315 4.032 1.00 0.00 N ATOM 906 CA ILE A 55 0.619 -7.520 2.806 1.00 0.00 C ATOM 907 C ILE A 55 -0.009 -8.909 2.777 1.00 0.00 C ATOM 908 O ILE A 55 -1.195 -9.058 2.483 1.00 0.00 O ATOM 909 CB ILE A 55 1.502 -7.343 1.557 1.00 0.00 C ATOM 910 CG1 ILE A 55 1.818 -5.862 1.336 1.00 0.00 C ATOM 911 CG2 ILE A 55 0.814 -7.932 0.334 1.00 0.00 C ATOM 912 CD1 ILE A 55 3.058 -5.627 0.500 1.00 0.00 C ATOM 0 H ILE A 55 2.381 -7.162 3.887 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.169 -6.766 2.794 1.00 0.00 H new ATOM 0 HB ILE A 55 2.440 -7.876 1.714 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.966 -5.386 0.850 1.00 0.00 H new ATOM 0 HG13 ILE A 55 1.945 -5.377 2.304 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.451 -7.799 -0.541 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.635 -8.995 0.494 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.137 -7.424 0.171 1.00 0.00 H new ATOM 0 HD11 ILE A 55 3.221 -4.556 0.384 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.920 -6.074 0.995 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.927 -6.082 -0.482 1.00 0.00 H new ATOM 924 N GLU A 56 0.792 -9.923 3.088 1.00 0.00 N ATOM 925 CA GLU A 56 0.313 -11.300 3.097 1.00 0.00 C ATOM 926 C GLU A 56 -0.782 -11.487 4.144 1.00 0.00 C ATOM 927 O GLU A 56 -1.751 -12.215 3.923 1.00 0.00 O ATOM 928 CB GLU A 56 1.469 -12.263 3.375 1.00 0.00 C ATOM 929 CG GLU A 56 2.214 -12.696 2.123 1.00 0.00 C ATOM 930 CD GLU A 56 2.992 -13.983 2.323 1.00 0.00 C ATOM 931 OE1 GLU A 56 2.538 -14.833 3.117 1.00 0.00 O ATOM 932 OE2 GLU A 56 4.054 -14.139 1.684 1.00 0.00 O ATOM 0 H GLU A 56 1.775 -9.817 3.337 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.105 -11.520 2.115 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.171 -11.787 4.059 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.081 -13.147 3.881 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.502 -12.829 1.309 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.900 -11.904 1.821 1.00 0.00 H new ATOM 939 N THR A 57 -0.621 -10.825 5.286 1.00 0.00 N ATOM 940 CA THR A 57 -1.592 -10.920 6.367 1.00 0.00 C ATOM 941 C THR A 57 -2.795 -10.019 6.106 1.00 0.00 C ATOM 942 O THR A 57 -3.897 -10.281 6.590 1.00 0.00 O ATOM 943 CB THR A 57 -0.965 -10.538 7.721 1.00 0.00 C ATOM 944 OG1 THR A 57 0.113 -11.429 8.030 1.00 0.00 O ATOM 945 CG2 THR A 57 -2.003 -10.587 8.832 1.00 0.00 C ATOM 0 H THR A 57 0.174 -10.217 5.485 1.00 0.00 H new ATOM 0 HA THR A 57 -1.920 -11.959 6.407 1.00 0.00 H new ATOM 0 HB THR A 57 -0.585 -9.519 7.645 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.932 -11.115 7.593 1.00 0.00 H new ATOM 0 HG21 THR A 57 -1.536 -10.313 9.778 1.00 0.00 H new ATOM 0 HG22 THR A 57 -2.808 -9.887 8.609 1.00 0.00 H new ATOM 0 HG23 THR A 57 -2.409 -11.596 8.906 1.00 0.00 H new ATOM 953 N LEU A 58 -2.577 -8.957 5.338 1.00 0.00 N ATOM 954 CA LEU A 58 -3.643 -8.018 5.011 1.00 0.00 C ATOM 955 C LEU A 58 -4.256 -8.340 3.651 1.00 0.00 C ATOM 956 O LEU A 58 -5.402 -8.779 3.564 1.00 0.00 O ATOM 957 CB LEU A 58 -3.107 -6.585 5.015 1.00 0.00 C ATOM 958 CG LEU A 58 -2.617 -6.056 6.362 1.00 0.00 C ATOM 959 CD1 LEU A 58 -1.852 -4.754 6.179 1.00 0.00 C ATOM 960 CD2 LEU A 58 -3.787 -5.859 7.316 1.00 0.00 C ATOM 0 H LEU A 58 -1.671 -8.725 4.930 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.420 -8.111 5.770 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.284 -6.524 4.302 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.893 -5.923 4.652 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.941 -6.793 6.795 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.511 -4.393 7.149 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.991 -4.926 5.533 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.505 -4.009 5.724 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.419 -5.482 8.270 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.488 -5.142 6.889 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.293 -6.812 7.473 1.00 0.00 H new ATOM 972 N SER A 59 -3.482 -8.122 2.593 1.00 0.00 N ATOM 973 CA SER A 59 -3.949 -8.387 1.237 1.00 0.00 C ATOM 974 C SER A 59 -4.378 -9.843 1.087 1.00 0.00 C ATOM 975 O SER A 59 -3.553 -10.755 1.152 1.00 0.00 O ATOM 976 CB SER A 59 -2.852 -8.058 0.224 1.00 0.00 C ATOM 977 OG SER A 59 -3.315 -8.232 -1.104 1.00 0.00 O ATOM 0 H SER A 59 -2.529 -7.763 2.648 1.00 0.00 H new ATOM 0 HA SER A 59 -4.812 -7.750 1.044 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.519 -7.030 0.365 1.00 0.00 H new ATOM 0 HB3 SER A 59 -1.988 -8.699 0.398 1.00 0.00 H new ATOM 0 HG SER A 59 -2.559 -8.171 -1.725 1.00 0.00 H new ATOM 983 N GLY A 60 -5.675 -10.054 0.883 1.00 0.00 N ATOM 984 CA GLY A 60 -6.192 -11.401 0.726 1.00 0.00 C ATOM 985 C GLY A 60 -6.549 -12.044 2.052 1.00 0.00 C ATOM 986 O GLY A 60 -7.013 -13.183 2.094 1.00 0.00 O ATOM 0 H GLY A 60 -6.377 -9.316 0.824 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.076 -11.375 0.089 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.449 -12.015 0.217 1.00 0.00 H new ATOM 990 N LYS A 61 -6.331 -11.312 3.139 1.00 0.00 N ATOM 991 CA LYS A 61 -6.632 -11.816 4.474 1.00 0.00 C ATOM 992 C LYS A 61 -7.410 -10.783 5.284 1.00 0.00 C ATOM 993 O LYS A 61 -7.666 -10.976 6.472 1.00 0.00 O ATOM 994 CB LYS A 61 -5.339 -12.186 5.206 1.00 0.00 C ATOM 995 CG LYS A 61 -4.891 -13.617 4.963 1.00 0.00 C ATOM 996 CD LYS A 61 -5.765 -14.610 5.709 1.00 0.00 C ATOM 997 CE LYS A 61 -5.741 -15.980 5.050 1.00 0.00 C ATOM 998 NZ LYS A 61 -4.478 -16.714 5.342 1.00 0.00 N ATOM 0 H LYS A 61 -5.947 -10.367 3.122 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.250 -12.708 4.367 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -4.546 -11.507 4.891 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.481 -12.035 6.276 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -4.924 -13.833 3.895 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -3.855 -13.733 5.280 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -5.422 -14.695 6.740 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.790 -14.240 5.744 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.591 -16.566 5.400 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -5.854 -15.866 3.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -4.501 -17.643 4.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -3.668 -16.167 4.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -4.382 -16.845 6.369 1.00 0.00 H new ATOM 1012 N VAL A 62 -7.784 -9.688 4.632 1.00 0.00 N ATOM 1013 CA VAL A 62 -8.535 -8.625 5.290 1.00 0.00 C ATOM 1014 C VAL A 62 -9.498 -7.950 4.319 1.00 0.00 C ATOM 1015 O VAL A 62 -9.129 -7.615 3.195 1.00 0.00 O ATOM 1016 CB VAL A 62 -7.595 -7.561 5.887 1.00 0.00 C ATOM 1017 CG1 VAL A 62 -8.395 -6.391 6.440 1.00 0.00 C ATOM 1018 CG2 VAL A 62 -6.714 -8.173 6.965 1.00 0.00 C ATOM 0 H VAL A 62 -7.579 -9.513 3.648 1.00 0.00 H new ATOM 0 HA VAL A 62 -9.103 -9.090 6.096 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.949 -7.185 5.093 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -7.714 -5.650 6.858 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -8.978 -5.938 5.638 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -9.067 -6.747 7.221 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -6.056 -7.407 7.376 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -7.340 -8.578 7.760 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -6.113 -8.973 6.533 1.00 0.00 H new ATOM 1028 N GLU A 63 -10.735 -7.753 4.764 1.00 0.00 N ATOM 1029 CA GLU A 63 -11.752 -7.118 3.935 1.00 0.00 C ATOM 1030 C GLU A 63 -12.425 -5.970 4.681 1.00 0.00 C ATOM 1031 O GLU A 63 -12.556 -6.002 5.906 1.00 0.00 O ATOM 1032 CB GLU A 63 -12.802 -8.144 3.501 1.00 0.00 C ATOM 1033 CG GLU A 63 -13.786 -8.509 4.600 1.00 0.00 C ATOM 1034 CD GLU A 63 -13.193 -9.460 5.620 1.00 0.00 C ATOM 1035 OE1 GLU A 63 -12.571 -8.977 6.590 1.00 0.00 O ATOM 1036 OE2 GLU A 63 -13.350 -10.688 5.451 1.00 0.00 O ATOM 0 H GLU A 63 -11.057 -8.024 5.693 1.00 0.00 H new ATOM 0 HA GLU A 63 -11.261 -6.714 3.050 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -13.353 -7.749 2.648 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -12.296 -9.048 3.163 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -14.116 -7.601 5.104 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -14.670 -8.965 4.154 1.00 0.00 H new ATOM 1043 N LEU A 64 -12.850 -4.956 3.936 1.00 0.00 N ATOM 1044 CA LEU A 64 -13.508 -3.795 4.527 1.00 0.00 C ATOM 1045 C LEU A 64 -14.811 -3.481 3.798 1.00 0.00 C ATOM 1046 O LEU A 64 -14.856 -3.450 2.568 1.00 0.00 O ATOM 1047 CB LEU A 64 -12.581 -2.580 4.483 1.00 0.00 C ATOM 1048 CG LEU A 64 -12.774 -1.548 5.594 1.00 0.00 C ATOM 1049 CD1 LEU A 64 -12.875 -2.233 6.948 1.00 0.00 C ATOM 1050 CD2 LEU A 64 -11.636 -0.538 5.589 1.00 0.00 C ATOM 0 H LEU A 64 -12.751 -4.914 2.922 1.00 0.00 H new ATOM 0 HA LEU A 64 -13.740 -4.029 5.566 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -11.550 -2.933 4.518 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -12.715 -2.081 3.523 1.00 0.00 H new ATOM 0 HG LEU A 64 -13.707 -1.015 5.409 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -13.012 -1.482 7.726 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -13.725 -2.915 6.948 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -11.960 -2.793 7.141 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -11.791 0.189 6.387 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -10.690 -1.055 5.748 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -11.611 -0.023 4.629 1.00 0.00 H new ATOM 1062 N HIS A 65 -15.870 -3.245 4.567 1.00 0.00 N ATOM 1063 CA HIS A 65 -17.174 -2.929 3.995 1.00 0.00 C ATOM 1064 C HIS A 65 -17.679 -4.077 3.127 1.00 0.00 C ATOM 1065 O HIS A 65 -18.480 -3.874 2.215 1.00 0.00 O ATOM 1066 CB HIS A 65 -17.095 -1.646 3.169 1.00 0.00 C ATOM 1067 CG HIS A 65 -17.334 -0.402 3.968 1.00 0.00 C ATOM 1068 ND1 HIS A 65 -18.536 0.274 3.967 1.00 0.00 N ATOM 1069 CD2 HIS A 65 -16.518 0.287 4.799 1.00 0.00 C ATOM 1070 CE1 HIS A 65 -18.447 1.326 4.761 1.00 0.00 C ATOM 1071 NE2 HIS A 65 -17.232 1.356 5.279 1.00 0.00 N ATOM 0 H HIS A 65 -15.850 -3.267 5.587 1.00 0.00 H new ATOM 0 HA HIS A 65 -17.877 -2.781 4.815 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -16.112 -1.584 2.702 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -17.828 -1.697 2.364 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -15.494 0.041 5.040 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -19.234 2.040 4.954 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -16.882 2.059 5.930 1.00 0.00 H new ATOM 1079 N GLY A 66 -17.205 -5.286 3.417 1.00 0.00 N ATOM 1080 CA GLY A 66 -17.619 -6.448 2.653 1.00 0.00 C ATOM 1081 C GLY A 66 -16.808 -6.627 1.385 1.00 0.00 C ATOM 1082 O GLY A 66 -17.065 -7.539 0.597 1.00 0.00 O ATOM 0 H GLY A 66 -16.542 -5.481 4.167 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -17.521 -7.340 3.272 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -18.674 -6.353 2.396 1.00 0.00 H new ATOM 1086 N LYS A 67 -15.828 -5.753 1.183 1.00 0.00 N ATOM 1087 CA LYS A 67 -14.977 -5.817 0.001 1.00 0.00 C ATOM 1088 C LYS A 67 -13.557 -6.232 0.375 1.00 0.00 C ATOM 1089 O LYS A 67 -12.997 -5.744 1.356 1.00 0.00 O ATOM 1090 CB LYS A 67 -14.953 -4.463 -0.710 1.00 0.00 C ATOM 1091 CG LYS A 67 -16.278 -4.091 -1.353 1.00 0.00 C ATOM 1092 CD LYS A 67 -16.223 -2.709 -1.983 1.00 0.00 C ATOM 1093 CE LYS A 67 -14.990 -2.544 -2.857 1.00 0.00 C ATOM 1094 NZ LYS A 67 -15.223 -1.579 -3.968 1.00 0.00 N ATOM 0 H LYS A 67 -15.603 -4.991 1.823 1.00 0.00 H new ATOM 0 HA LYS A 67 -15.391 -6.567 -0.673 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -14.677 -3.690 0.007 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -14.178 -4.478 -1.476 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -16.534 -4.829 -2.113 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -17.068 -4.119 -0.603 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -17.119 -2.545 -2.581 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -16.219 -1.951 -1.200 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -14.155 -2.200 -2.246 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -14.705 -3.512 -3.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -14.359 -1.494 -4.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -16.003 -1.920 -4.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -15.470 -0.649 -3.574 1.00 0.00 H new ATOM 1108 N ILE A 68 -12.981 -7.133 -0.414 1.00 0.00 N ATOM 1109 CA ILE A 68 -11.626 -7.610 -0.167 1.00 0.00 C ATOM 1110 C ILE A 68 -10.596 -6.539 -0.508 1.00 0.00 C ATOM 1111 O ILE A 68 -10.578 -6.013 -1.620 1.00 0.00 O ATOM 1112 CB ILE A 68 -11.319 -8.881 -0.981 1.00 0.00 C ATOM 1113 CG1 ILE A 68 -12.443 -9.906 -0.811 1.00 0.00 C ATOM 1114 CG2 ILE A 68 -9.985 -9.474 -0.553 1.00 0.00 C ATOM 1115 CD1 ILE A 68 -12.598 -10.403 0.609 1.00 0.00 C ATOM 0 H ILE A 68 -13.432 -7.547 -1.230 1.00 0.00 H new ATOM 0 HA ILE A 68 -11.563 -7.846 0.895 1.00 0.00 H new ATOM 0 HB ILE A 68 -11.254 -8.613 -2.035 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -13.383 -9.460 -1.136 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -12.251 -10.756 -1.466 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -9.782 -10.372 -1.137 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -9.192 -8.745 -0.720 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -10.024 -9.731 0.506 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -13.412 -11.126 0.655 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -11.672 -10.879 0.931 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -12.822 -9.563 1.266 1.00 0.00 H new ATOM 1127 N MET A 69 -9.737 -6.224 0.456 1.00 0.00 N ATOM 1128 CA MET A 69 -8.700 -5.218 0.255 1.00 0.00 C ATOM 1129 C MET A 69 -7.436 -5.847 -0.323 1.00 0.00 C ATOM 1130 O MET A 69 -6.986 -6.893 0.141 1.00 0.00 O ATOM 1131 CB MET A 69 -8.376 -4.519 1.577 1.00 0.00 C ATOM 1132 CG MET A 69 -7.282 -5.206 2.376 1.00 0.00 C ATOM 1133 SD MET A 69 -7.337 -4.792 4.130 1.00 0.00 S ATOM 1134 CE MET A 69 -7.040 -3.026 4.070 1.00 0.00 C ATOM 0 H MET A 69 -9.738 -6.650 1.383 1.00 0.00 H new ATOM 0 HA MET A 69 -9.076 -4.482 -0.456 1.00 0.00 H new ATOM 0 HB2 MET A 69 -8.074 -3.492 1.371 1.00 0.00 H new ATOM 0 HB3 MET A 69 -9.280 -4.469 2.183 1.00 0.00 H new ATOM 0 HG2 MET A 69 -7.375 -6.286 2.259 1.00 0.00 H new ATOM 0 HG3 MET A 69 -6.310 -4.924 1.971 1.00 0.00 H new ATOM 0 HE1 MET A 69 -6.247 -2.766 4.771 1.00 0.00 H new ATOM 0 HE2 MET A 69 -6.741 -2.741 3.061 1.00 0.00 H new ATOM 0 HE3 MET A 69 -7.952 -2.494 4.341 1.00 0.00 H new ATOM 1144 N GLU A 70 -6.871 -5.201 -1.339 1.00 0.00 N ATOM 1145 CA GLU A 70 -5.660 -5.699 -1.981 1.00 0.00 C ATOM 1146 C GLU A 70 -4.488 -4.754 -1.738 1.00 0.00 C ATOM 1147 O GLU A 70 -4.629 -3.534 -1.832 1.00 0.00 O ATOM 1148 CB GLU A 70 -5.888 -5.874 -3.483 1.00 0.00 C ATOM 1149 CG GLU A 70 -5.036 -6.967 -4.105 1.00 0.00 C ATOM 1150 CD GLU A 70 -5.361 -7.199 -5.568 1.00 0.00 C ATOM 1151 OE1 GLU A 70 -6.275 -8.000 -5.853 1.00 0.00 O ATOM 1152 OE2 GLU A 70 -4.700 -6.579 -6.428 1.00 0.00 O ATOM 0 H GLU A 70 -7.232 -4.333 -1.734 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.419 -6.668 -1.543 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.940 -6.101 -3.658 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -5.677 -4.930 -3.986 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -3.983 -6.701 -4.008 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -5.182 -7.895 -3.553 1.00 0.00 H new ATOM 1159 N VAL A 71 -3.329 -5.325 -1.425 1.00 0.00 N ATOM 1160 CA VAL A 71 -2.131 -4.533 -1.171 1.00 0.00 C ATOM 1161 C VAL A 71 -0.932 -5.090 -1.932 1.00 0.00 C ATOM 1162 O VAL A 71 -0.662 -6.290 -1.892 1.00 0.00 O ATOM 1163 CB VAL A 71 -1.795 -4.491 0.332 1.00 0.00 C ATOM 1164 CG1 VAL A 71 -0.819 -3.364 0.629 1.00 0.00 C ATOM 1165 CG2 VAL A 71 -3.065 -4.339 1.156 1.00 0.00 C ATOM 0 H VAL A 71 -3.194 -6.333 -1.341 1.00 0.00 H new ATOM 0 HA VAL A 71 -2.341 -3.521 -1.518 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.320 -5.432 0.608 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.593 -3.350 1.695 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.101 -3.521 0.065 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.264 -2.412 0.340 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -2.810 -4.311 2.215 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.569 -3.413 0.880 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.726 -5.184 0.964 1.00 0.00 H new ATOM 1175 N ASP A 72 -0.217 -4.209 -2.624 1.00 0.00 N ATOM 1176 CA ASP A 72 0.954 -4.612 -3.394 1.00 0.00 C ATOM 1177 C ASP A 72 1.914 -3.441 -3.573 1.00 0.00 C ATOM 1178 O ASP A 72 1.504 -2.280 -3.552 1.00 0.00 O ATOM 1179 CB ASP A 72 0.530 -5.155 -4.759 1.00 0.00 C ATOM 1180 CG ASP A 72 1.555 -6.106 -5.347 1.00 0.00 C ATOM 1181 OD1 ASP A 72 1.523 -7.304 -4.997 1.00 0.00 O ATOM 1182 OD2 ASP A 72 2.389 -5.652 -6.158 1.00 0.00 O ATOM 0 H ASP A 72 -0.428 -3.212 -2.667 1.00 0.00 H new ATOM 0 HA ASP A 72 1.469 -5.399 -2.843 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.426 -5.670 -4.661 1.00 0.00 H new ATOM 0 HB3 ASP A 72 0.375 -4.323 -5.446 1.00 0.00 H new ATOM 1187 N TYR A 73 3.193 -3.753 -3.749 1.00 0.00 N ATOM 1188 CA TYR A 73 4.212 -2.726 -3.930 1.00 0.00 C ATOM 1189 C TYR A 73 3.761 -1.683 -4.946 1.00 0.00 C ATOM 1190 O TYR A 73 3.377 -2.017 -6.068 1.00 0.00 O ATOM 1191 CB TYR A 73 5.530 -3.360 -4.382 1.00 0.00 C ATOM 1192 CG TYR A 73 5.946 -4.551 -3.549 1.00 0.00 C ATOM 1193 CD1 TYR A 73 6.048 -4.455 -2.166 1.00 0.00 C ATOM 1194 CD2 TYR A 73 6.240 -5.772 -4.144 1.00 0.00 C ATOM 1195 CE1 TYR A 73 6.429 -5.541 -1.401 1.00 0.00 C ATOM 1196 CE2 TYR A 73 6.620 -6.863 -3.387 1.00 0.00 C ATOM 1197 CZ TYR A 73 6.713 -6.742 -2.016 1.00 0.00 C ATOM 1198 OH TYR A 73 7.093 -7.826 -1.258 1.00 0.00 O ATOM 0 H TYR A 73 3.549 -4.709 -3.770 1.00 0.00 H new ATOM 0 HA TYR A 73 4.365 -2.229 -2.972 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.436 -3.670 -5.423 1.00 0.00 H new ATOM 0 HB3 TYR A 73 6.318 -2.607 -4.343 1.00 0.00 H new ATOM 0 HD1 TYR A 73 5.826 -3.516 -1.681 1.00 0.00 H new ATOM 0 HD2 TYR A 73 6.170 -5.870 -5.217 1.00 0.00 H new ATOM 0 HE1 TYR A 73 6.504 -5.450 -0.327 1.00 0.00 H new ATOM 0 HE2 TYR A 73 6.843 -7.805 -3.866 1.00 0.00 H new ATOM 0 HH TYR A 73 7.255 -8.594 -1.844 1.00 0.00 H new ATOM 1208 N SER A 74 3.813 -0.416 -4.547 1.00 0.00 N ATOM 1209 CA SER A 74 3.407 0.678 -5.422 1.00 0.00 C ATOM 1210 C SER A 74 4.337 0.785 -6.626 1.00 0.00 C ATOM 1211 O SER A 74 5.258 1.602 -6.643 1.00 0.00 O ATOM 1212 CB SER A 74 3.399 1.999 -4.650 1.00 0.00 C ATOM 1213 OG SER A 74 4.694 2.319 -4.173 1.00 0.00 O ATOM 0 H SER A 74 4.132 -0.122 -3.624 1.00 0.00 H new ATOM 0 HA SER A 74 2.399 0.469 -5.781 1.00 0.00 H new ATOM 0 HB2 SER A 74 3.038 2.799 -5.296 1.00 0.00 H new ATOM 0 HB3 SER A 74 2.706 1.930 -3.811 1.00 0.00 H new ATOM 0 HG SER A 74 4.921 1.731 -3.422 1.00 0.00 H new