USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 622 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 70 HIS : no HD1:sc= 0.522 K(o=1.4,f=-2.8) USER MOD Set 1.2: A 75 THR OG1 : rot -48:sc= 0.888 USER MOD Single : A 11 ASN : amide:sc=-0.00311 K(o=-0.0031,f=-0.95) USER MOD Single : A 18 TYR OH : rot 150:sc= 0 USER MOD Single : A 23 THR OG1 : rot 73:sc= 0.508 USER MOD Single : A 24 LYS NZ :NH3+ -170:sc= 0.304 (180deg=0.225) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 29 TYR OH : rot 180:sc= -0.0386 USER MOD Single : A 32 GLN : amide:sc= -0.153 K(o=-0.15,f=-0.78) USER MOD Single : A 67 SER OG : rot 64:sc= 1.25 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot -160:sc= 0 USER MOD Single : A 79 TYR OH : rot 30:sc= -1.1 USER MOD Single : A 81 ASN : amide:sc= -0.961 K(o=-0.96,f=0) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=-0.0045) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= -1.71! USER MOD Single : A 92 HIS : no HD1:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0.475 USER MOD Single : A 96 TYR OH : rot 180:sc= -0.107 USER MOD Single : A 97 CYS SG : rot 180:sc= -1.18 USER MOD Single : A 103 CYS SG : rot 164:sc= -0.554 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 71:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 130 N ASN A 11 -13.062 7.407 0.737 1.00 0.00 N ATOM 131 CA ASN A 11 -12.328 8.069 1.808 1.00 0.00 C ATOM 132 C ASN A 11 -13.230 8.249 3.031 1.00 0.00 C ATOM 133 O ASN A 11 -12.866 8.924 4.008 1.00 0.00 O ATOM 134 CB ASN A 11 -11.768 9.419 1.337 1.00 0.00 C ATOM 135 CG ASN A 11 -10.660 9.265 0.298 1.00 0.00 C ATOM 136 OD1 ASN A 11 -9.928 8.277 0.293 1.00 0.00 O ATOM 137 ND2 ASN A 11 -10.530 10.239 -0.582 1.00 0.00 N ATOM 0 HA ASN A 11 -11.483 7.440 2.089 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -12.576 10.016 0.915 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -11.382 9.968 2.196 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -9.804 10.187 -1.297 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -11.155 11.044 -0.548 1.00 0.00 H new ATOM 144 N ALA A 12 -14.409 7.629 2.970 1.00 0.00 N ATOM 145 CA ALA A 12 -15.390 7.683 4.048 1.00 0.00 C ATOM 146 C ALA A 12 -16.027 6.308 4.243 1.00 0.00 C ATOM 147 O ALA A 12 -16.283 5.597 3.270 1.00 0.00 O ATOM 148 CB ALA A 12 -16.465 8.720 3.731 1.00 0.00 C ATOM 0 H ALA A 12 -14.709 7.074 2.168 1.00 0.00 H new ATOM 0 HA ALA A 12 -14.885 7.973 4.970 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -17.191 8.751 4.543 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -16.003 9.701 3.620 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -16.969 8.449 2.803 1.00 0.00 H new ATOM 154 N VAL A 13 -16.295 5.944 5.490 1.00 0.00 N ATOM 155 CA VAL A 13 -16.880 4.637 5.803 1.00 0.00 C ATOM 156 C VAL A 13 -18.210 4.782 6.518 1.00 0.00 C ATOM 157 O VAL A 13 -18.515 5.835 7.090 1.00 0.00 O ATOM 158 CB VAL A 13 -15.948 3.770 6.704 1.00 0.00 C ATOM 159 CG1 VAL A 13 -14.694 3.360 5.968 1.00 0.00 C ATOM 160 CG2 VAL A 13 -15.591 4.518 7.984 1.00 0.00 C ATOM 0 H VAL A 13 -16.118 6.532 6.305 1.00 0.00 H new ATOM 0 HA VAL A 13 -17.018 4.141 4.842 1.00 0.00 H new ATOM 0 HB VAL A 13 -16.493 2.864 6.968 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -14.067 2.757 6.625 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -14.963 2.777 5.087 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -14.146 4.250 5.660 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -14.940 3.897 8.599 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -15.076 5.445 7.732 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -16.502 4.748 8.537 1.00 0.00 H new ATOM 170 N VAL A 14 -18.998 3.728 6.476 1.00 0.00 N ATOM 171 CA VAL A 14 -20.259 3.682 7.178 1.00 0.00 C ATOM 172 C VAL A 14 -20.130 2.688 8.318 1.00 0.00 C ATOM 173 O VAL A 14 -19.929 1.496 8.085 1.00 0.00 O ATOM 174 CB VAL A 14 -21.416 3.234 6.247 1.00 0.00 C ATOM 175 CG1 VAL A 14 -22.752 3.304 6.973 1.00 0.00 C ATOM 176 CG2 VAL A 14 -21.448 4.071 4.976 1.00 0.00 C ATOM 0 H VAL A 14 -18.780 2.880 5.953 1.00 0.00 H new ATOM 0 HA VAL A 14 -20.492 4.681 7.546 1.00 0.00 H new ATOM 0 HB VAL A 14 -21.237 2.197 5.963 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -23.549 2.985 6.301 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -22.728 2.648 7.843 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -22.938 4.329 7.296 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -22.268 3.737 4.341 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -21.594 5.120 5.235 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -20.505 3.957 4.441 1.00 0.00 H new ATOM 186 N VAL A 15 -20.224 3.167 9.538 1.00 0.00 N ATOM 187 CA VAL A 15 -20.074 2.307 10.690 1.00 0.00 C ATOM 188 C VAL A 15 -21.390 2.190 11.436 1.00 0.00 C ATOM 189 O VAL A 15 -22.026 3.195 11.745 1.00 0.00 O ATOM 190 CB VAL A 15 -18.984 2.826 11.657 1.00 0.00 C ATOM 191 CG1 VAL A 15 -18.820 1.879 12.820 1.00 0.00 C ATOM 192 CG2 VAL A 15 -17.658 3.011 10.936 1.00 0.00 C ATOM 0 H VAL A 15 -20.403 4.147 9.758 1.00 0.00 H new ATOM 0 HA VAL A 15 -19.768 1.327 10.323 1.00 0.00 H new ATOM 0 HB VAL A 15 -19.302 3.797 12.036 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -18.050 2.258 13.492 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -19.764 1.798 13.359 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -18.528 0.896 12.450 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -16.910 3.377 11.639 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -17.332 2.056 10.523 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -17.781 3.733 10.129 1.00 0.00 H new ATOM 202 N PHE A 16 -21.790 0.970 11.718 1.00 0.00 N ATOM 203 CA PHE A 16 -23.043 0.713 12.405 1.00 0.00 C ATOM 204 C PHE A 16 -22.934 -0.525 13.286 1.00 0.00 C ATOM 205 O PHE A 16 -21.945 -1.265 13.219 1.00 0.00 O ATOM 206 CB PHE A 16 -24.179 0.539 11.383 1.00 0.00 C ATOM 207 CG PHE A 16 -23.956 -0.586 10.396 1.00 0.00 C ATOM 208 CD1 PHE A 16 -23.273 -0.362 9.209 1.00 0.00 C ATOM 209 CD2 PHE A 16 -24.426 -1.866 10.659 1.00 0.00 C ATOM 210 CE1 PHE A 16 -23.065 -1.387 8.304 1.00 0.00 C ATOM 211 CE2 PHE A 16 -24.220 -2.898 9.758 1.00 0.00 C ATOM 212 CZ PHE A 16 -23.538 -2.656 8.579 1.00 0.00 C ATOM 0 H PHE A 16 -21.262 0.130 11.481 1.00 0.00 H new ATOM 0 HA PHE A 16 -23.267 1.568 13.043 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -25.111 0.358 11.919 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -24.304 1.471 10.832 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -22.899 0.627 8.989 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -24.959 -2.060 11.578 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -22.534 -1.196 7.383 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -24.591 -3.889 9.975 1.00 0.00 H new ATOM 0 HZ PHE A 16 -23.375 -3.458 7.874 1.00 0.00 H new ATOM 222 N GLY A 17 -23.944 -0.740 14.115 1.00 0.00 N ATOM 223 CA GLY A 17 -23.969 -1.912 14.967 1.00 0.00 C ATOM 224 C GLY A 17 -24.117 -1.570 16.432 1.00 0.00 C ATOM 225 O GLY A 17 -24.724 -2.325 17.198 1.00 0.00 O ATOM 0 H GLY A 17 -24.750 -0.122 14.214 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -24.794 -2.558 14.665 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -23.050 -2.480 14.823 1.00 0.00 H new ATOM 229 N TYR A 18 -23.597 -0.419 16.815 1.00 0.00 N ATOM 230 CA TYR A 18 -23.645 0.029 18.202 1.00 0.00 C ATOM 231 C TYR A 18 -24.777 1.030 18.427 1.00 0.00 C ATOM 232 O TYR A 18 -25.619 1.232 17.559 1.00 0.00 O ATOM 233 CB TYR A 18 -22.294 0.629 18.619 1.00 0.00 C ATOM 234 CG TYR A 18 -21.711 1.589 17.611 1.00 0.00 C ATOM 235 CD1 TYR A 18 -22.172 2.892 17.516 1.00 0.00 C ATOM 236 CD2 TYR A 18 -20.695 1.191 16.759 1.00 0.00 C ATOM 237 CE1 TYR A 18 -21.637 3.767 16.597 1.00 0.00 C ATOM 238 CE2 TYR A 18 -20.154 2.060 15.841 1.00 0.00 C ATOM 239 CZ TYR A 18 -20.630 3.351 15.763 1.00 0.00 C ATOM 240 OH TYR A 18 -20.096 4.229 14.848 1.00 0.00 O ATOM 0 H TYR A 18 -23.132 0.231 16.181 1.00 0.00 H new ATOM 0 HA TYR A 18 -23.847 -0.840 18.828 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -22.416 1.147 19.570 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -21.584 -0.181 18.786 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -22.962 3.226 18.172 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -20.321 0.180 16.816 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -22.009 4.779 16.533 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -19.361 1.733 15.185 1.00 0.00 H new ATOM 0 HH TYR A 18 -19.156 4.002 14.687 1.00 0.00 H new ATOM 250 N ARG A 19 -24.780 1.645 19.595 1.00 0.00 N ATOM 251 CA ARG A 19 -25.823 2.580 19.983 1.00 0.00 C ATOM 252 C ARG A 19 -25.209 3.960 20.252 1.00 0.00 C ATOM 253 O ARG A 19 -24.047 4.058 20.604 1.00 0.00 O ATOM 254 CB ARG A 19 -26.517 2.048 21.241 1.00 0.00 C ATOM 255 CG ARG A 19 -27.704 2.867 21.702 1.00 0.00 C ATOM 256 CD ARG A 19 -28.304 2.309 22.979 1.00 0.00 C ATOM 257 NE ARG A 19 -29.451 3.099 23.425 1.00 0.00 N ATOM 258 CZ ARG A 19 -29.997 3.024 24.643 1.00 0.00 C ATOM 259 NH1 ARG A 19 -29.474 2.224 25.565 1.00 0.00 N ATOM 260 NH2 ARG A 19 -31.053 3.764 24.935 1.00 0.00 N ATOM 0 H ARG A 19 -24.059 1.511 20.304 1.00 0.00 H new ATOM 0 HA ARG A 19 -26.554 2.680 19.181 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -26.848 1.027 21.052 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -25.788 2.002 22.050 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -27.394 3.899 21.866 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -28.462 2.883 20.919 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -28.614 1.277 22.815 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -27.546 2.294 23.762 1.00 0.00 H new ATOM 0 HE ARG A 19 -29.863 3.753 22.760 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -28.651 1.662 25.346 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -29.895 2.171 26.493 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -31.448 4.389 24.232 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -31.473 3.710 25.863 1.00 0.00 H new ATOM 274 N GLU A 20 -25.982 5.018 20.083 1.00 0.00 N ATOM 275 CA GLU A 20 -25.463 6.372 20.304 1.00 0.00 C ATOM 276 C GLU A 20 -25.129 6.627 21.784 1.00 0.00 C ATOM 277 O GLU A 20 -24.224 7.387 22.100 1.00 0.00 O ATOM 278 CB GLU A 20 -26.412 7.447 19.744 1.00 0.00 C ATOM 279 CG GLU A 20 -27.703 7.629 20.511 1.00 0.00 C ATOM 280 CD GLU A 20 -28.560 6.382 20.539 1.00 0.00 C ATOM 281 OE1 GLU A 20 -29.130 6.027 19.495 1.00 0.00 O ATOM 282 OE2 GLU A 20 -28.646 5.741 21.597 1.00 0.00 O ATOM 0 H GLU A 20 -26.960 4.976 19.797 1.00 0.00 H new ATOM 0 HA GLU A 20 -24.528 6.445 19.748 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -25.883 8.400 19.723 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -26.654 7.193 18.712 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -27.472 7.926 21.534 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -28.272 8.444 20.063 1.00 0.00 H new ATOM 289 N ALA A 21 -25.856 5.975 22.674 1.00 0.00 N ATOM 290 CA ALA A 21 -25.651 6.134 24.116 1.00 0.00 C ATOM 291 C ALA A 21 -24.236 5.709 24.571 1.00 0.00 C ATOM 292 O ALA A 21 -23.728 6.212 25.569 1.00 0.00 O ATOM 293 CB ALA A 21 -26.708 5.353 24.882 1.00 0.00 C ATOM 0 H ALA A 21 -26.601 5.324 22.428 1.00 0.00 H new ATOM 0 HA ALA A 21 -25.746 7.197 24.337 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -26.547 5.477 25.953 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -27.698 5.725 24.618 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -26.637 4.296 24.625 1.00 0.00 H new ATOM 299 N ILE A 22 -23.595 4.811 23.828 1.00 0.00 N ATOM 300 CA ILE A 22 -22.276 4.297 24.226 1.00 0.00 C ATOM 301 C ILE A 22 -21.121 5.174 23.739 1.00 0.00 C ATOM 302 O ILE A 22 -19.974 4.714 23.682 1.00 0.00 O ATOM 303 CB ILE A 22 -22.049 2.809 23.776 1.00 0.00 C ATOM 304 CG1 ILE A 22 -22.231 2.617 22.249 1.00 0.00 C ATOM 305 CG2 ILE A 22 -22.982 1.885 24.539 1.00 0.00 C ATOM 306 CD1 ILE A 22 -21.043 3.042 21.393 1.00 0.00 C ATOM 0 H ILE A 22 -23.957 4.424 22.956 1.00 0.00 H new ATOM 0 HA ILE A 22 -22.279 4.327 25.316 1.00 0.00 H new ATOM 0 HB ILE A 22 -21.015 2.555 24.008 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -22.440 1.565 22.054 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -23.108 3.181 21.930 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -22.817 0.856 24.220 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -22.784 1.969 25.608 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -24.016 2.165 24.338 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -21.271 2.867 20.342 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -20.842 4.102 21.550 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -20.165 2.461 21.675 1.00 0.00 H new ATOM 318 N THR A 23 -21.403 6.446 23.451 1.00 0.00 N ATOM 319 CA THR A 23 -20.372 7.344 22.930 1.00 0.00 C ATOM 320 C THR A 23 -19.182 7.434 23.880 1.00 0.00 C ATOM 321 O THR A 23 -18.047 7.317 23.456 1.00 0.00 O ATOM 322 CB THR A 23 -20.902 8.781 22.706 1.00 0.00 C ATOM 323 OG1 THR A 23 -22.082 8.772 21.901 1.00 0.00 O ATOM 324 CG2 THR A 23 -19.841 9.639 22.033 1.00 0.00 C ATOM 0 H THR A 23 -22.322 6.872 23.567 1.00 0.00 H new ATOM 0 HA THR A 23 -20.066 6.916 21.975 1.00 0.00 H new ATOM 0 HB THR A 23 -21.144 9.201 23.682 1.00 0.00 H new ATOM 0 HG1 THR A 23 -22.836 8.436 22.429 1.00 0.00 H new ATOM 0 HG21 THR A 23 -20.229 10.646 21.883 1.00 0.00 H new ATOM 0 HG22 THR A 23 -18.954 9.683 22.665 1.00 0.00 H new ATOM 0 HG23 THR A 23 -19.579 9.204 21.069 1.00 0.00 H new ATOM 332 N LYS A 24 -19.458 7.593 25.167 1.00 0.00 N ATOM 333 CA LYS A 24 -18.424 7.769 26.169 1.00 0.00 C ATOM 334 C LYS A 24 -17.460 6.584 26.188 1.00 0.00 C ATOM 335 O LYS A 24 -16.247 6.759 26.299 1.00 0.00 O ATOM 336 CB LYS A 24 -19.070 7.915 27.543 1.00 0.00 C ATOM 337 CG LYS A 24 -20.149 8.986 27.613 1.00 0.00 C ATOM 338 CD LYS A 24 -19.644 10.305 27.082 1.00 0.00 C ATOM 339 CE LYS A 24 -20.498 11.463 27.559 1.00 0.00 C ATOM 340 NZ LYS A 24 -21.874 11.416 27.008 1.00 0.00 N ATOM 0 H LYS A 24 -20.406 7.603 25.543 1.00 0.00 H new ATOM 0 HA LYS A 24 -17.858 8.667 25.920 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -19.504 6.958 27.832 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -18.295 8.147 28.274 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -21.018 8.668 27.037 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -20.477 9.108 28.645 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -18.613 10.456 27.403 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -19.639 10.281 25.992 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -20.545 11.452 28.648 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -20.026 12.402 27.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -22.364 12.308 27.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -21.831 11.283 25.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -22.393 10.624 27.438 1.00 0.00 H new ATOM 354 N GLN A 25 -18.013 5.394 26.065 1.00 0.00 N ATOM 355 CA GLN A 25 -17.236 4.168 26.125 1.00 0.00 C ATOM 356 C GLN A 25 -16.362 3.988 24.892 1.00 0.00 C ATOM 357 O GLN A 25 -15.138 3.954 24.985 1.00 0.00 O ATOM 358 CB GLN A 25 -18.175 2.975 26.254 1.00 0.00 C ATOM 359 CG GLN A 25 -18.956 2.962 27.544 1.00 0.00 C ATOM 360 CD GLN A 25 -19.954 1.826 27.622 1.00 0.00 C ATOM 361 OE1 GLN A 25 -19.780 0.778 26.998 1.00 0.00 O ATOM 362 NE2 GLN A 25 -21.006 2.028 28.385 1.00 0.00 N ATOM 0 H GLN A 25 -19.012 5.248 25.921 1.00 0.00 H new ATOM 0 HA GLN A 25 -16.582 4.233 26.994 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -18.872 2.979 25.416 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -17.594 2.056 26.181 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -18.262 2.886 28.381 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -19.484 3.910 27.652 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -21.112 2.911 28.885 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -21.716 1.302 28.477 1.00 0.00 H new ATOM 371 N ILE A 26 -17.004 3.905 23.739 1.00 0.00 N ATOM 372 CA ILE A 26 -16.325 3.618 22.494 1.00 0.00 C ATOM 373 C ILE A 26 -15.364 4.742 22.090 1.00 0.00 C ATOM 374 O ILE A 26 -14.355 4.499 21.413 1.00 0.00 O ATOM 375 CB ILE A 26 -17.353 3.343 21.370 1.00 0.00 C ATOM 376 CG1 ILE A 26 -16.757 2.439 20.310 1.00 0.00 C ATOM 377 CG2 ILE A 26 -17.851 4.638 20.744 1.00 0.00 C ATOM 378 CD1 ILE A 26 -17.787 1.866 19.370 1.00 0.00 C ATOM 0 H ILE A 26 -18.011 4.035 23.643 1.00 0.00 H new ATOM 0 HA ILE A 26 -15.723 2.722 22.648 1.00 0.00 H new ATOM 0 HB ILE A 26 -18.208 2.838 21.820 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -16.022 3.001 19.734 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -16.224 1.622 20.796 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -18.571 4.409 19.959 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -18.330 5.251 21.508 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -17.009 5.183 20.317 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -17.295 1.228 18.636 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -18.509 1.277 19.936 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -18.303 2.678 18.857 1.00 0.00 H new ATOM 390 N LEU A 27 -15.672 5.959 22.524 1.00 0.00 N ATOM 391 CA LEU A 27 -14.843 7.115 22.224 1.00 0.00 C ATOM 392 C LEU A 27 -13.468 6.952 22.838 1.00 0.00 C ATOM 393 O LEU A 27 -12.485 7.359 22.259 1.00 0.00 O ATOM 394 CB LEU A 27 -15.497 8.402 22.729 1.00 0.00 C ATOM 395 CG LEU A 27 -14.801 9.705 22.352 1.00 0.00 C ATOM 396 CD1 LEU A 27 -14.758 9.878 20.837 1.00 0.00 C ATOM 397 CD2 LEU A 27 -15.507 10.880 23.002 1.00 0.00 C ATOM 0 H LEU A 27 -16.496 6.169 23.088 1.00 0.00 H new ATOM 0 HA LEU A 27 -14.739 7.185 21.141 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -16.519 8.438 22.351 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -15.561 8.350 23.816 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.774 9.667 22.717 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -14.257 10.814 20.592 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -14.212 9.047 20.391 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -15.774 9.897 20.444 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -15.002 11.806 22.726 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -16.542 10.916 22.662 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -15.485 10.764 24.086 1.00 0.00 H new ATOM 409 N ALA A 28 -13.408 6.338 24.011 1.00 0.00 N ATOM 410 CA ALA A 28 -12.143 6.149 24.711 1.00 0.00 C ATOM 411 C ALA A 28 -11.130 5.396 23.839 1.00 0.00 C ATOM 412 O ALA A 28 -9.936 5.696 23.862 1.00 0.00 O ATOM 413 CB ALA A 28 -12.366 5.412 26.025 1.00 0.00 C ATOM 0 H ALA A 28 -14.221 5.962 24.499 1.00 0.00 H new ATOM 0 HA ALA A 28 -11.731 7.134 24.928 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -11.411 5.279 26.534 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -13.038 5.992 26.658 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -12.809 4.436 25.824 1.00 0.00 H new ATOM 419 N TYR A 29 -11.617 4.425 23.073 1.00 0.00 N ATOM 420 CA TYR A 29 -10.763 3.635 22.194 1.00 0.00 C ATOM 421 C TYR A 29 -10.654 4.245 20.787 1.00 0.00 C ATOM 422 O TYR A 29 -9.560 4.373 20.238 1.00 0.00 O ATOM 423 CB TYR A 29 -11.278 2.189 22.119 1.00 0.00 C ATOM 424 CG TYR A 29 -10.549 1.318 21.119 1.00 0.00 C ATOM 425 CD1 TYR A 29 -9.308 0.771 21.412 1.00 0.00 C ATOM 426 CD2 TYR A 29 -11.111 1.041 19.883 1.00 0.00 C ATOM 427 CE1 TYR A 29 -8.646 -0.028 20.496 1.00 0.00 C ATOM 428 CE2 TYR A 29 -10.462 0.247 18.962 1.00 0.00 C ATOM 429 CZ TYR A 29 -9.227 -0.286 19.271 1.00 0.00 C ATOM 430 OH TYR A 29 -8.571 -1.080 18.354 1.00 0.00 O ATOM 0 H TYR A 29 -12.603 4.166 23.044 1.00 0.00 H new ATOM 0 HA TYR A 29 -9.760 3.638 22.620 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -11.195 1.735 23.106 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -12.338 2.206 21.864 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -8.851 0.972 22.370 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -12.077 1.456 19.636 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -7.681 -0.447 20.738 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -10.917 0.043 18.004 1.00 0.00 H new ATOM 0 HH TYR A 29 -9.116 -1.163 17.544 1.00 0.00 H new ATOM 440 N PHE A 30 -11.786 4.641 20.222 1.00 0.00 N ATOM 441 CA PHE A 30 -11.823 5.160 18.849 1.00 0.00 C ATOM 442 C PHE A 30 -11.371 6.610 18.717 1.00 0.00 C ATOM 443 O PHE A 30 -11.273 7.123 17.609 1.00 0.00 O ATOM 444 CB PHE A 30 -13.181 4.936 18.183 1.00 0.00 C ATOM 445 CG PHE A 30 -13.321 3.572 17.581 1.00 0.00 C ATOM 446 CD1 PHE A 30 -13.737 2.498 18.336 1.00 0.00 C ATOM 447 CD2 PHE A 30 -13.018 3.371 16.243 1.00 0.00 C ATOM 448 CE1 PHE A 30 -13.852 1.240 17.767 1.00 0.00 C ATOM 449 CE2 PHE A 30 -13.129 2.125 15.669 1.00 0.00 C ATOM 450 CZ PHE A 30 -13.545 1.055 16.429 1.00 0.00 C ATOM 0 H PHE A 30 -12.693 4.616 20.687 1.00 0.00 H new ATOM 0 HA PHE A 30 -11.082 4.570 18.309 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -13.970 5.084 18.921 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -13.326 5.686 17.406 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -13.976 2.637 19.380 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -12.690 4.206 15.641 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -14.181 0.404 18.366 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -12.890 1.987 14.625 1.00 0.00 H new ATOM 0 HZ PHE A 30 -13.632 0.075 15.984 1.00 0.00 H new ATOM 460 N ALA A 31 -11.114 7.271 19.832 1.00 0.00 N ATOM 461 CA ALA A 31 -10.631 8.654 19.806 1.00 0.00 C ATOM 462 C ALA A 31 -9.320 8.768 19.033 1.00 0.00 C ATOM 463 O ALA A 31 -8.974 9.835 18.545 1.00 0.00 O ATOM 464 CB ALA A 31 -10.462 9.192 21.207 1.00 0.00 C ATOM 0 H ALA A 31 -11.229 6.880 20.767 1.00 0.00 H new ATOM 0 HA ALA A 31 -11.382 9.255 19.292 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -10.103 10.220 21.161 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -11.421 9.166 21.725 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -9.741 8.579 21.747 1.00 0.00 H new ATOM 470 N GLN A 32 -8.583 7.660 18.943 1.00 0.00 N ATOM 471 CA GLN A 32 -7.348 7.630 18.167 1.00 0.00 C ATOM 472 C GLN A 32 -7.652 7.815 16.680 1.00 0.00 C ATOM 473 O GLN A 32 -6.780 8.194 15.898 1.00 0.00 O ATOM 474 CB GLN A 32 -6.588 6.319 18.394 1.00 0.00 C ATOM 475 CG GLN A 32 -6.080 6.138 19.816 1.00 0.00 C ATOM 476 CD GLN A 32 -5.116 7.233 20.231 1.00 0.00 C ATOM 477 OE1 GLN A 32 -4.390 7.787 19.408 1.00 0.00 O ATOM 478 NE2 GLN A 32 -5.098 7.546 21.506 1.00 0.00 N ATOM 0 H GLN A 32 -8.820 6.777 19.396 1.00 0.00 H new ATOM 0 HA GLN A 32 -6.716 8.452 18.504 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.242 5.484 18.143 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -5.742 6.278 17.709 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -6.927 6.124 20.502 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -5.585 5.171 19.901 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -5.716 7.063 22.158 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -4.466 8.272 21.844 1.00 0.00 H new ATOM 487 N PHE A 33 -8.889 7.514 16.303 1.00 0.00 N ATOM 488 CA PHE A 33 -9.346 7.681 14.937 1.00 0.00 C ATOM 489 C PHE A 33 -9.928 9.074 14.743 1.00 0.00 C ATOM 490 O PHE A 33 -9.487 9.815 13.867 1.00 0.00 O ATOM 491 CB PHE A 33 -10.381 6.613 14.581 1.00 0.00 C ATOM 492 CG PHE A 33 -9.803 5.233 14.483 1.00 0.00 C ATOM 493 CD1 PHE A 33 -9.638 4.456 15.618 1.00 0.00 C ATOM 494 CD2 PHE A 33 -9.426 4.711 13.259 1.00 0.00 C ATOM 495 CE1 PHE A 33 -9.105 3.186 15.535 1.00 0.00 C ATOM 496 CE2 PHE A 33 -8.893 3.441 13.168 1.00 0.00 C ATOM 497 CZ PHE A 33 -8.733 2.678 14.308 1.00 0.00 C ATOM 0 H PHE A 33 -9.599 7.148 16.937 1.00 0.00 H new ATOM 0 HA PHE A 33 -8.492 7.564 14.269 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -11.169 6.616 15.334 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -10.847 6.872 13.630 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -9.930 4.849 16.580 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -9.550 5.304 12.365 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -8.980 2.592 16.428 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -8.601 3.045 12.207 1.00 0.00 H new ATOM 0 HZ PHE A 33 -8.317 1.684 14.239 1.00 0.00 H new ATOM 507 N GLY A 34 -10.919 9.439 15.563 1.00 0.00 N ATOM 508 CA GLY A 34 -11.479 10.768 15.452 1.00 0.00 C ATOM 509 C GLY A 34 -12.901 10.908 15.987 1.00 0.00 C ATOM 510 O GLY A 34 -13.224 10.429 17.074 1.00 0.00 O ATOM 0 H GLY A 34 -11.331 8.848 16.285 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -10.834 11.465 15.987 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.469 11.065 14.403 1.00 0.00 H new ATOM 514 N GLU A 35 -13.728 11.583 15.198 1.00 0.00 N ATOM 515 CA GLU A 35 -15.121 11.916 15.535 1.00 0.00 C ATOM 516 C GLU A 35 -15.993 10.655 15.599 1.00 0.00 C ATOM 517 O GLU A 35 -16.064 9.901 14.635 1.00 0.00 O ATOM 518 CB GLU A 35 -15.619 12.865 14.443 1.00 0.00 C ATOM 519 CG GLU A 35 -16.951 13.538 14.679 1.00 0.00 C ATOM 520 CD GLU A 35 -17.267 14.545 13.572 1.00 0.00 C ATOM 521 OE1 GLU A 35 -17.160 14.185 12.380 1.00 0.00 O ATOM 522 OE2 GLU A 35 -17.603 15.704 13.891 1.00 0.00 O ATOM 0 H GLU A 35 -13.448 11.927 14.279 1.00 0.00 H new ATOM 0 HA GLU A 35 -15.179 12.383 16.518 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -14.867 13.641 14.299 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -15.682 12.305 13.510 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -17.738 12.786 14.725 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -16.939 14.046 15.643 1.00 0.00 H new ATOM 529 N ILE A 36 -16.659 10.430 16.748 1.00 0.00 N ATOM 530 CA ILE A 36 -17.492 9.228 16.931 1.00 0.00 C ATOM 531 C ILE A 36 -18.860 9.569 17.559 1.00 0.00 C ATOM 532 O ILE A 36 -18.961 10.464 18.396 1.00 0.00 O ATOM 533 CB ILE A 36 -16.806 8.159 17.838 1.00 0.00 C ATOM 534 CG1 ILE A 36 -15.317 7.992 17.505 1.00 0.00 C ATOM 535 CG2 ILE A 36 -17.509 6.834 17.659 1.00 0.00 C ATOM 536 CD1 ILE A 36 -15.056 7.370 16.148 1.00 0.00 C ATOM 0 H ILE A 36 -16.637 11.056 17.553 1.00 0.00 H new ATOM 0 HA ILE A 36 -17.629 8.820 15.929 1.00 0.00 H new ATOM 0 HB ILE A 36 -16.879 8.498 18.871 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -14.834 8.969 17.545 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -14.850 7.374 18.272 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -17.035 6.082 18.290 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -18.557 6.937 17.942 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -17.444 6.525 16.616 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -13.981 7.286 15.987 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -15.508 6.379 16.109 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -15.491 7.998 15.370 1.00 0.00 H new ATOM 548 N LEU A 37 -19.893 8.822 17.141 1.00 0.00 N ATOM 549 CA LEU A 37 -21.270 8.949 17.656 1.00 0.00 C ATOM 550 C LEU A 37 -21.822 10.378 17.655 1.00 0.00 C ATOM 551 O LEU A 37 -22.136 10.918 16.595 1.00 0.00 O ATOM 552 CB LEU A 37 -21.443 8.308 19.042 1.00 0.00 C ATOM 553 CG LEU A 37 -21.892 6.844 19.084 1.00 0.00 C ATOM 554 CD1 LEU A 37 -22.983 6.576 18.064 1.00 0.00 C ATOM 555 CD2 LEU A 37 -20.728 5.902 18.898 1.00 0.00 C ATOM 0 H LEU A 37 -19.797 8.102 16.425 1.00 0.00 H new ATOM 0 HA LEU A 37 -21.869 8.390 16.937 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -20.493 8.386 19.571 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -22.168 8.900 19.600 1.00 0.00 H new ATOM 0 HG LEU A 37 -22.308 6.658 20.074 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -23.281 5.529 18.117 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -23.844 7.210 18.277 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -22.609 6.796 17.064 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -21.084 4.872 18.933 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -20.258 6.090 17.933 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -20.000 6.062 19.693 1.00 0.00 H new ATOM 567 N GLU A 38 -21.946 10.990 18.848 1.00 0.00 N ATOM 568 CA GLU A 38 -22.573 12.301 18.952 1.00 0.00 C ATOM 569 C GLU A 38 -22.369 12.916 20.352 1.00 0.00 C ATOM 570 O GLU A 38 -21.868 14.034 20.485 1.00 0.00 O ATOM 571 CB GLU A 38 -24.079 12.170 18.647 1.00 0.00 C ATOM 572 CG GLU A 38 -24.776 13.492 18.413 1.00 0.00 C ATOM 573 CD GLU A 38 -26.234 13.333 18.056 1.00 0.00 C ATOM 574 OE1 GLU A 38 -27.049 13.102 18.971 1.00 0.00 O ATOM 575 OE2 GLU A 38 -26.572 13.444 16.857 1.00 0.00 O ATOM 0 H GLU A 38 -21.624 10.598 19.733 1.00 0.00 H new ATOM 0 HA GLU A 38 -22.103 12.966 18.228 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -24.208 11.542 17.765 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -24.564 11.657 19.477 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -24.692 14.105 19.310 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -24.267 14.028 17.612 1.00 0.00 H new ATOM 582 N ASP A 39 -22.749 12.174 21.392 1.00 0.00 N ATOM 583 CA ASP A 39 -22.650 12.675 22.773 1.00 0.00 C ATOM 584 C ASP A 39 -21.249 12.517 23.340 1.00 0.00 C ATOM 585 O ASP A 39 -20.998 11.647 24.183 1.00 0.00 O ATOM 586 CB ASP A 39 -23.663 11.983 23.692 1.00 0.00 C ATOM 587 CG ASP A 39 -24.991 12.705 23.760 1.00 0.00 C ATOM 588 OD1 ASP A 39 -25.092 13.687 24.521 1.00 0.00 O ATOM 589 OD2 ASP A 39 -25.943 12.288 23.064 1.00 0.00 O ATOM 0 H ASP A 39 -23.126 11.230 21.311 1.00 0.00 H new ATOM 0 HA ASP A 39 -22.880 13.740 22.732 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -23.827 10.964 23.340 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -23.244 11.910 24.696 1.00 0.00 H new ATOM 594 N LEU A 40 -20.349 13.365 22.874 1.00 0.00 N ATOM 595 CA LEU A 40 -18.954 13.350 23.291 1.00 0.00 C ATOM 596 C LEU A 40 -18.807 13.837 24.731 1.00 0.00 C ATOM 597 O LEU A 40 -18.600 13.038 25.640 1.00 0.00 O ATOM 598 CB LEU A 40 -18.123 14.239 22.358 1.00 0.00 C ATOM 599 CG LEU A 40 -18.198 13.903 20.865 1.00 0.00 C ATOM 600 CD1 LEU A 40 -17.383 14.894 20.058 1.00 0.00 C ATOM 601 CD2 LEU A 40 -17.717 12.486 20.610 1.00 0.00 C ATOM 0 H LEU A 40 -20.566 14.090 22.190 1.00 0.00 H new ATOM 0 HA LEU A 40 -18.593 12.323 23.237 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -18.442 15.272 22.494 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -17.080 14.184 22.670 1.00 0.00 H new ATOM 0 HG LEU A 40 -19.239 13.973 20.549 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -17.447 14.641 19.000 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -17.773 15.899 20.215 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -16.342 14.855 20.378 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -17.778 12.267 19.544 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -16.683 12.387 20.942 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -18.343 11.784 21.161 1.00 0.00 H new ATOM 1035 N SER A 67 -19.975 16.497 12.849 1.00 0.00 N ATOM 1036 CA SER A 67 -19.895 17.097 11.526 1.00 0.00 C ATOM 1037 C SER A 67 -20.789 16.371 10.515 1.00 0.00 C ATOM 1038 O SER A 67 -21.460 17.005 9.695 1.00 0.00 O ATOM 1039 CB SER A 67 -18.453 17.083 11.050 1.00 0.00 C ATOM 1040 OG SER A 67 -17.606 17.679 12.015 1.00 0.00 O ATOM 0 HA SER A 67 -20.252 18.124 11.599 1.00 0.00 H new ATOM 0 HB2 SER A 67 -18.136 16.057 10.863 1.00 0.00 H new ATOM 0 HB3 SER A 67 -18.371 17.619 10.105 1.00 0.00 H new ATOM 0 HG SER A 67 -17.617 17.143 12.835 1.00 0.00 H new ATOM 1046 N ARG A 68 -20.781 15.058 10.565 1.00 0.00 N ATOM 1047 CA ARG A 68 -21.609 14.260 9.679 1.00 0.00 C ATOM 1048 C ARG A 68 -22.941 13.947 10.332 1.00 0.00 C ATOM 1049 O ARG A 68 -23.034 13.868 11.550 1.00 0.00 O ATOM 1050 CB ARG A 68 -20.885 12.977 9.256 1.00 0.00 C ATOM 1051 CG ARG A 68 -20.188 13.087 7.904 1.00 0.00 C ATOM 1052 CD ARG A 68 -19.109 14.161 7.898 1.00 0.00 C ATOM 1053 NE ARG A 68 -18.587 14.389 6.547 1.00 0.00 N ATOM 1054 CZ ARG A 68 -17.779 15.397 6.205 1.00 0.00 C ATOM 1055 NH1 ARG A 68 -17.329 16.239 7.129 1.00 0.00 N ATOM 1056 NH2 ARG A 68 -17.417 15.553 4.936 1.00 0.00 N ATOM 0 H ARG A 68 -20.209 14.515 11.212 1.00 0.00 H new ATOM 0 HA ARG A 68 -21.802 14.842 8.778 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -20.147 12.719 10.016 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -21.604 12.159 9.219 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -19.743 12.126 7.648 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -20.926 13.312 7.134 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -19.517 15.091 8.293 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -18.295 13.864 8.559 1.00 0.00 H new ATOM 0 HE ARG A 68 -18.860 13.732 5.816 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -17.600 16.118 8.105 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -16.712 17.007 6.863 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -17.756 14.904 4.226 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -16.800 16.322 4.672 1.00 0.00 H new ATOM 1070 N GLU A 69 -23.967 13.774 9.519 1.00 0.00 N ATOM 1071 CA GLU A 69 -25.294 13.507 10.034 1.00 0.00 C ATOM 1072 C GLU A 69 -25.398 12.082 10.564 1.00 0.00 C ATOM 1073 O GLU A 69 -24.964 11.118 9.916 1.00 0.00 O ATOM 1074 CB GLU A 69 -26.368 13.786 8.966 1.00 0.00 C ATOM 1075 CG GLU A 69 -26.194 13.000 7.680 1.00 0.00 C ATOM 1076 CD GLU A 69 -27.190 13.406 6.614 1.00 0.00 C ATOM 1077 OE1 GLU A 69 -26.939 14.414 5.915 1.00 0.00 O ATOM 1078 OE2 GLU A 69 -28.228 12.727 6.465 1.00 0.00 O ATOM 0 H GLU A 69 -23.906 13.814 8.502 1.00 0.00 H new ATOM 0 HA GLU A 69 -25.473 14.185 10.869 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -27.348 13.559 9.386 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -26.361 14.850 8.731 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -25.182 13.147 7.302 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -26.305 11.936 7.890 1.00 0.00 H new ATOM 1085 N HIS A 70 -25.949 11.967 11.753 1.00 0.00 N ATOM 1086 CA HIS A 70 -26.103 10.693 12.417 1.00 0.00 C ATOM 1087 C HIS A 70 -27.558 10.252 12.394 1.00 0.00 C ATOM 1088 O HIS A 70 -28.445 10.995 12.820 1.00 0.00 O ATOM 1089 CB HIS A 70 -25.591 10.789 13.869 1.00 0.00 C ATOM 1090 CG HIS A 70 -25.823 9.552 14.693 1.00 0.00 C ATOM 1091 ND1 HIS A 70 -25.021 8.436 14.622 1.00 0.00 N ATOM 1092 CD2 HIS A 70 -26.789 9.256 15.599 1.00 0.00 C ATOM 1093 CE1 HIS A 70 -25.481 7.510 15.444 1.00 0.00 C ATOM 1094 NE2 HIS A 70 -26.554 7.980 16.048 1.00 0.00 N ATOM 0 H HIS A 70 -26.304 12.759 12.288 1.00 0.00 H new ATOM 0 HA HIS A 70 -25.512 9.947 11.885 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -24.523 11.004 13.851 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -26.078 11.633 14.358 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -27.595 9.905 15.910 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -25.050 6.531 15.596 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -27.117 7.479 16.735 1.00 0.00 H new ATOM 1102 N GLY A 71 -27.798 9.056 11.882 1.00 0.00 N ATOM 1103 CA GLY A 71 -29.145 8.524 11.843 1.00 0.00 C ATOM 1104 C GLY A 71 -29.515 7.848 13.145 1.00 0.00 C ATOM 1105 O GLY A 71 -29.514 8.479 14.197 1.00 0.00 O ATOM 0 H GLY A 71 -27.083 8.442 11.492 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -29.849 9.330 11.638 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -29.231 7.810 11.024 1.00 0.00 H new ATOM 1109 N ARG A 72 -29.824 6.567 13.081 1.00 0.00 N ATOM 1110 CA ARG A 72 -30.164 5.808 14.280 1.00 0.00 C ATOM 1111 C ARG A 72 -28.922 5.258 14.930 1.00 0.00 C ATOM 1112 O ARG A 72 -28.365 5.856 15.849 1.00 0.00 O ATOM 1113 CB ARG A 72 -31.123 4.658 13.954 1.00 0.00 C ATOM 1114 CG ARG A 72 -32.474 5.094 13.424 1.00 0.00 C ATOM 1115 CD ARG A 72 -33.293 5.819 14.482 1.00 0.00 C ATOM 1116 NE ARG A 72 -34.559 6.296 13.935 1.00 0.00 N ATOM 1117 CZ ARG A 72 -35.626 6.618 14.655 1.00 0.00 C ATOM 1118 NH1 ARG A 72 -35.580 6.569 15.984 1.00 0.00 N ATOM 1119 NH2 ARG A 72 -36.739 6.999 14.040 1.00 0.00 N ATOM 0 H ARG A 72 -29.848 6.027 12.216 1.00 0.00 H new ATOM 0 HA ARG A 72 -30.659 6.490 14.971 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -30.652 4.007 13.218 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -31.275 4.063 14.855 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -32.332 5.748 12.564 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -33.025 4.221 13.074 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -33.485 5.148 15.319 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -32.722 6.661 14.873 1.00 0.00 H new ATOM 0 HE ARG A 72 -34.629 6.389 12.922 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -34.721 6.283 16.454 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -36.403 6.818 16.532 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -36.770 7.043 13.021 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -37.564 7.248 14.586 1.00 0.00 H new ATOM 1133 N THR A 73 -28.474 4.141 14.426 1.00 0.00 N ATOM 1134 CA THR A 73 -27.338 3.463 14.971 1.00 0.00 C ATOM 1135 C THR A 73 -26.177 3.441 13.977 1.00 0.00 C ATOM 1136 O THR A 73 -25.176 2.753 14.185 1.00 0.00 O ATOM 1137 CB THR A 73 -27.734 2.036 15.350 1.00 0.00 C ATOM 1138 OG1 THR A 73 -28.434 1.425 14.248 1.00 0.00 O ATOM 1139 CG2 THR A 73 -28.630 2.034 16.587 1.00 0.00 C ATOM 0 H THR A 73 -28.892 3.675 13.620 1.00 0.00 H new ATOM 0 HA THR A 73 -27.005 4.000 15.859 1.00 0.00 H new ATOM 0 HB THR A 73 -26.830 1.471 15.575 1.00 0.00 H new ATOM 0 HG1 THR A 73 -28.687 0.509 14.489 1.00 0.00 H new ATOM 0 HG21 THR A 73 -28.900 1.008 16.839 1.00 0.00 H new ATOM 0 HG22 THR A 73 -28.096 2.485 17.424 1.00 0.00 H new ATOM 0 HG23 THR A 73 -29.534 2.607 16.382 1.00 0.00 H new ATOM 1147 N TRP A 74 -26.317 4.201 12.893 1.00 0.00 N ATOM 1148 CA TRP A 74 -25.286 4.258 11.875 1.00 0.00 C ATOM 1149 C TRP A 74 -24.605 5.624 11.860 1.00 0.00 C ATOM 1150 O TRP A 74 -25.261 6.667 11.984 1.00 0.00 O ATOM 1151 CB TRP A 74 -25.854 3.907 10.484 1.00 0.00 C ATOM 1152 CG TRP A 74 -26.929 4.842 9.979 1.00 0.00 C ATOM 1153 CD1 TRP A 74 -28.278 4.742 10.197 1.00 0.00 C ATOM 1154 CD2 TRP A 74 -26.743 6.004 9.153 1.00 0.00 C ATOM 1155 NE1 TRP A 74 -28.934 5.772 9.565 1.00 0.00 N ATOM 1156 CE2 TRP A 74 -28.017 6.560 8.918 1.00 0.00 C ATOM 1157 CE3 TRP A 74 -25.622 6.633 8.594 1.00 0.00 C ATOM 1158 CZ2 TRP A 74 -28.200 7.706 8.149 1.00 0.00 C ATOM 1159 CZ3 TRP A 74 -25.808 7.771 7.831 1.00 0.00 C ATOM 1160 CH2 TRP A 74 -27.088 8.297 7.616 1.00 0.00 C ATOM 0 H TRP A 74 -27.134 4.782 12.703 1.00 0.00 H new ATOM 0 HA TRP A 74 -24.533 3.511 12.124 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -25.035 3.898 9.765 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -26.260 2.896 10.518 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -28.756 3.968 10.779 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -29.942 5.926 9.576 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -24.631 6.236 8.756 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -29.186 8.114 7.979 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -24.952 8.263 7.393 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -27.199 9.188 7.016 1.00 0.00 H new ATOM 1171 N THR A 75 -23.296 5.603 11.733 1.00 0.00 N ATOM 1172 CA THR A 75 -22.492 6.805 11.694 1.00 0.00 C ATOM 1173 C THR A 75 -21.534 6.755 10.499 1.00 0.00 C ATOM 1174 O THR A 75 -20.842 5.756 10.292 1.00 0.00 O ATOM 1175 CB THR A 75 -21.672 6.944 13.003 1.00 0.00 C ATOM 1176 OG1 THR A 75 -22.557 6.929 14.128 1.00 0.00 O ATOM 1177 CG2 THR A 75 -20.862 8.232 13.019 1.00 0.00 C ATOM 0 H THR A 75 -22.755 4.742 11.653 1.00 0.00 H new ATOM 0 HA THR A 75 -23.156 7.664 11.593 1.00 0.00 H new ATOM 0 HB THR A 75 -20.980 6.104 13.057 1.00 0.00 H new ATOM 0 HG1 THR A 75 -23.301 7.546 13.967 1.00 0.00 H new ATOM 0 HG21 THR A 75 -20.300 8.297 13.951 1.00 0.00 H new ATOM 0 HG22 THR A 75 -20.170 8.237 12.177 1.00 0.00 H new ATOM 0 HG23 THR A 75 -21.535 9.086 12.941 1.00 0.00 H new ATOM 1185 N LYS A 76 -21.506 7.811 9.701 1.00 0.00 N ATOM 1186 CA LYS A 76 -20.591 7.857 8.580 1.00 0.00 C ATOM 1187 C LYS A 76 -19.333 8.618 8.979 1.00 0.00 C ATOM 1188 O LYS A 76 -19.380 9.820 9.234 1.00 0.00 O ATOM 1189 CB LYS A 76 -21.248 8.504 7.349 1.00 0.00 C ATOM 1190 CG LYS A 76 -20.368 8.473 6.105 1.00 0.00 C ATOM 1191 CD LYS A 76 -21.079 9.037 4.886 1.00 0.00 C ATOM 1192 CE LYS A 76 -21.310 10.536 4.999 1.00 0.00 C ATOM 1193 NZ LYS A 76 -21.902 11.094 3.758 1.00 0.00 N ATOM 0 H LYS A 76 -22.098 8.634 9.809 1.00 0.00 H new ATOM 0 HA LYS A 76 -20.323 6.836 8.309 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -22.185 7.990 7.135 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -21.498 9.539 7.582 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -19.459 9.045 6.291 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -20.063 7.446 5.903 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -20.488 8.828 3.994 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -22.037 8.532 4.760 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -21.971 10.740 5.841 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -20.364 11.036 5.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -22.045 12.118 3.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -21.260 10.921 2.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -22.817 10.635 3.573 1.00 0.00 H new ATOM 1207 N LEU A 77 -18.216 7.919 9.021 1.00 0.00 N ATOM 1208 CA LEU A 77 -16.969 8.517 9.454 1.00 0.00 C ATOM 1209 C LEU A 77 -16.153 8.964 8.256 1.00 0.00 C ATOM 1210 O LEU A 77 -15.830 8.163 7.371 1.00 0.00 O ATOM 1211 CB LEU A 77 -16.168 7.519 10.303 1.00 0.00 C ATOM 1212 CG LEU A 77 -16.888 6.972 11.545 1.00 0.00 C ATOM 1213 CD1 LEU A 77 -16.005 5.982 12.287 1.00 0.00 C ATOM 1214 CD2 LEU A 77 -17.305 8.105 12.466 1.00 0.00 C ATOM 0 H LEU A 77 -18.147 6.935 8.760 1.00 0.00 H new ATOM 0 HA LEU A 77 -17.196 9.391 10.064 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -15.884 6.678 9.670 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -15.245 8.002 10.624 1.00 0.00 H new ATOM 0 HG LEU A 77 -17.786 6.450 11.213 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -16.535 5.607 13.163 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -15.759 5.149 11.628 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -15.087 6.478 12.603 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -17.813 7.696 13.339 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -16.422 8.658 12.786 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -17.980 8.776 11.935 1.00 0.00 H new ATOM 1226 N THR A 78 -15.846 10.242 8.213 1.00 0.00 N ATOM 1227 CA THR A 78 -15.085 10.802 7.125 1.00 0.00 C ATOM 1228 C THR A 78 -13.702 11.241 7.602 1.00 0.00 C ATOM 1229 O THR A 78 -13.574 12.181 8.380 1.00 0.00 O ATOM 1230 CB THR A 78 -15.838 11.999 6.517 1.00 0.00 C ATOM 1231 OG1 THR A 78 -17.144 11.567 6.100 1.00 0.00 O ATOM 1232 CG2 THR A 78 -15.088 12.573 5.322 1.00 0.00 C ATOM 0 H THR A 78 -16.117 10.917 8.929 1.00 0.00 H new ATOM 0 HA THR A 78 -14.958 10.034 6.362 1.00 0.00 H new ATOM 0 HB THR A 78 -15.919 12.780 7.273 1.00 0.00 H new ATOM 0 HG1 THR A 78 -17.505 12.201 5.445 1.00 0.00 H new ATOM 0 HG21 THR A 78 -15.645 13.417 4.914 1.00 0.00 H new ATOM 0 HG22 THR A 78 -14.101 12.909 5.639 1.00 0.00 H new ATOM 0 HG23 THR A 78 -14.981 11.805 4.556 1.00 0.00 H new ATOM 1240 N TYR A 79 -12.671 10.547 7.138 1.00 0.00 N ATOM 1241 CA TYR A 79 -11.300 10.886 7.508 1.00 0.00 C ATOM 1242 C TYR A 79 -10.574 11.508 6.324 1.00 0.00 C ATOM 1243 O TYR A 79 -9.479 12.049 6.472 1.00 0.00 O ATOM 1244 CB TYR A 79 -10.542 9.638 7.976 1.00 0.00 C ATOM 1245 CG TYR A 79 -11.163 8.948 9.169 1.00 0.00 C ATOM 1246 CD1 TYR A 79 -10.973 9.436 10.455 1.00 0.00 C ATOM 1247 CD2 TYR A 79 -11.943 7.807 9.011 1.00 0.00 C ATOM 1248 CE1 TYR A 79 -11.540 8.807 11.546 1.00 0.00 C ATOM 1249 CE2 TYR A 79 -12.512 7.175 10.096 1.00 0.00 C ATOM 1250 CZ TYR A 79 -12.308 7.678 11.362 1.00 0.00 C ATOM 1251 OH TYR A 79 -12.877 7.053 12.445 1.00 0.00 O ATOM 0 H TYR A 79 -12.755 9.749 6.508 1.00 0.00 H new ATOM 0 HA TYR A 79 -11.336 11.605 8.327 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -10.485 8.930 7.149 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -9.519 9.920 8.225 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -10.373 10.321 10.604 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -12.106 7.409 8.020 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -11.382 9.199 12.540 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -13.115 6.290 9.954 1.00 0.00 H new ATOM 0 HH TYR A 79 -13.064 7.715 13.143 1.00 0.00 H new ATOM 1261 N ALA A 80 -11.198 11.398 5.139 1.00 0.00 N ATOM 1262 CA ALA A 80 -10.654 11.942 3.878 1.00 0.00 C ATOM 1263 C ALA A 80 -9.370 11.225 3.437 1.00 0.00 C ATOM 1264 O ALA A 80 -8.801 11.542 2.391 1.00 0.00 O ATOM 1265 CB ALA A 80 -10.428 13.448 3.980 1.00 0.00 C ATOM 0 H ALA A 80 -12.096 10.928 5.026 1.00 0.00 H new ATOM 0 HA ALA A 80 -11.403 11.758 3.108 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -10.027 13.820 3.037 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -11.375 13.944 4.193 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -9.720 13.656 4.783 1.00 0.00 H new ATOM 1271 N ASN A 81 -8.926 10.268 4.230 1.00 0.00 N ATOM 1272 CA ASN A 81 -7.731 9.505 3.915 1.00 0.00 C ATOM 1273 C ASN A 81 -8.081 8.053 3.716 1.00 0.00 C ATOM 1274 O ASN A 81 -8.790 7.458 4.528 1.00 0.00 O ATOM 1275 CB ASN A 81 -6.684 9.631 5.026 1.00 0.00 C ATOM 1276 CG ASN A 81 -6.169 11.050 5.217 1.00 0.00 C ATOM 1277 OD1 ASN A 81 -5.846 11.459 6.334 1.00 0.00 O ATOM 1278 ND2 ASN A 81 -6.070 11.806 4.134 1.00 0.00 N ATOM 0 H ASN A 81 -9.378 9.999 5.104 1.00 0.00 H new ATOM 0 HA ASN A 81 -7.309 9.909 2.995 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -7.116 9.281 5.963 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -5.843 8.976 4.798 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -5.717 12.760 4.209 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -6.347 11.434 3.225 1.00 0.00 H new ATOM 1285 N HIS A 82 -7.576 7.487 2.647 1.00 0.00 N ATOM 1286 CA HIS A 82 -7.816 6.096 2.309 1.00 0.00 C ATOM 1287 C HIS A 82 -7.200 5.174 3.359 1.00 0.00 C ATOM 1288 O HIS A 82 -7.759 4.125 3.681 1.00 0.00 O ATOM 1289 CB HIS A 82 -7.246 5.782 0.920 1.00 0.00 C ATOM 1290 CG HIS A 82 -7.499 4.375 0.458 1.00 0.00 C ATOM 1291 ND1 HIS A 82 -6.488 3.500 0.115 1.00 0.00 N ATOM 1292 CD2 HIS A 82 -8.653 3.696 0.270 1.00 0.00 C ATOM 1293 CE1 HIS A 82 -7.012 2.349 -0.260 1.00 0.00 C ATOM 1294 NE2 HIS A 82 -8.318 2.444 -0.175 1.00 0.00 N ATOM 0 H HIS A 82 -6.982 7.978 1.979 1.00 0.00 H new ATOM 0 HA HIS A 82 -8.892 5.924 2.292 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -7.678 6.474 0.197 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -6.171 5.962 0.931 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -9.652 4.070 0.439 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -6.461 1.478 -0.582 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -8.980 1.702 -0.404 1.00 0.00 H new ATOM 1302 N SER A 83 -6.051 5.574 3.884 1.00 0.00 N ATOM 1303 CA SER A 83 -5.353 4.792 4.893 1.00 0.00 C ATOM 1304 C SER A 83 -6.233 4.601 6.143 1.00 0.00 C ATOM 1305 O SER A 83 -6.433 3.476 6.606 1.00 0.00 O ATOM 1306 CB SER A 83 -4.036 5.494 5.258 1.00 0.00 C ATOM 1307 OG SER A 83 -3.293 4.757 6.203 1.00 0.00 O ATOM 0 H SER A 83 -5.580 6.441 3.626 1.00 0.00 H new ATOM 0 HA SER A 83 -5.133 3.804 4.489 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.439 5.637 4.357 1.00 0.00 H new ATOM 0 HB3 SER A 83 -4.251 6.485 5.658 1.00 0.00 H new ATOM 0 HG SER A 83 -2.462 5.233 6.409 1.00 0.00 H new ATOM 1313 N SER A 84 -6.784 5.696 6.653 1.00 0.00 N ATOM 1314 CA SER A 84 -7.663 5.647 7.820 1.00 0.00 C ATOM 1315 C SER A 84 -8.963 4.917 7.476 1.00 0.00 C ATOM 1316 O SER A 84 -9.515 4.175 8.287 1.00 0.00 O ATOM 1317 CB SER A 84 -7.965 7.062 8.303 1.00 0.00 C ATOM 1318 OG SER A 84 -6.766 7.803 8.485 1.00 0.00 O ATOM 0 H SER A 84 -6.638 6.633 6.277 1.00 0.00 H new ATOM 0 HA SER A 84 -7.159 5.101 8.617 1.00 0.00 H new ATOM 0 HB2 SER A 84 -8.604 7.569 7.580 1.00 0.00 H new ATOM 0 HB3 SER A 84 -8.517 7.020 9.242 1.00 0.00 H new ATOM 0 HG SER A 84 -6.984 8.707 8.793 1.00 0.00 H new ATOM 1324 N TYR A 85 -9.418 5.139 6.255 1.00 0.00 N ATOM 1325 CA TYR A 85 -10.633 4.535 5.720 1.00 0.00 C ATOM 1326 C TYR A 85 -10.564 3.010 5.739 1.00 0.00 C ATOM 1327 O TYR A 85 -11.469 2.343 6.233 1.00 0.00 O ATOM 1328 CB TYR A 85 -10.805 5.046 4.277 1.00 0.00 C ATOM 1329 CG TYR A 85 -11.751 4.258 3.397 1.00 0.00 C ATOM 1330 CD1 TYR A 85 -13.099 4.539 3.358 1.00 0.00 C ATOM 1331 CD2 TYR A 85 -11.268 3.242 2.579 1.00 0.00 C ATOM 1332 CE1 TYR A 85 -13.949 3.830 2.528 1.00 0.00 C ATOM 1333 CE2 TYR A 85 -12.105 2.527 1.755 1.00 0.00 C ATOM 1334 CZ TYR A 85 -13.446 2.826 1.730 1.00 0.00 C ATOM 1335 OH TYR A 85 -14.288 2.127 0.901 1.00 0.00 O ATOM 0 H TYR A 85 -8.947 5.755 5.593 1.00 0.00 H new ATOM 0 HA TYR A 85 -11.485 4.816 6.339 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -11.155 6.078 4.318 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -9.825 5.061 3.800 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -13.498 5.324 3.984 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -10.213 3.010 2.591 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -15.003 4.063 2.506 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -11.712 1.737 1.133 1.00 0.00 H new ATOM 0 HH TYR A 85 -13.775 1.455 0.405 1.00 0.00 H new ATOM 1345 N LEU A 86 -9.490 2.472 5.210 1.00 0.00 N ATOM 1346 CA LEU A 86 -9.315 1.057 5.115 1.00 0.00 C ATOM 1347 C LEU A 86 -9.144 0.417 6.502 1.00 0.00 C ATOM 1348 O LEU A 86 -9.682 -0.661 6.775 1.00 0.00 O ATOM 1349 CB LEU A 86 -8.129 0.766 4.207 1.00 0.00 C ATOM 1350 CG LEU A 86 -7.847 -0.693 3.934 1.00 0.00 C ATOM 1351 CD1 LEU A 86 -9.066 -1.368 3.321 1.00 0.00 C ATOM 1352 CD2 LEU A 86 -6.647 -0.829 3.021 1.00 0.00 C ATOM 0 H LEU A 86 -8.713 3.015 4.833 1.00 0.00 H new ATOM 0 HA LEU A 86 -10.210 0.611 4.681 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -8.295 1.268 3.254 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -7.239 1.211 4.651 1.00 0.00 H new ATOM 0 HG LEU A 86 -7.624 -1.188 4.879 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -8.844 -2.418 3.131 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -9.908 -1.294 4.010 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -9.321 -0.876 2.382 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -6.452 -1.884 2.831 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -6.848 -0.321 2.078 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.775 -0.379 3.496 1.00 0.00 H new ATOM 1364 N ARG A 87 -8.408 1.100 7.376 1.00 0.00 N ATOM 1365 CA ARG A 87 -8.139 0.605 8.726 1.00 0.00 C ATOM 1366 C ARG A 87 -9.404 0.587 9.595 1.00 0.00 C ATOM 1367 O ARG A 87 -9.464 -0.123 10.592 1.00 0.00 O ATOM 1368 CB ARG A 87 -7.044 1.442 9.394 1.00 0.00 C ATOM 1369 CG ARG A 87 -5.678 1.278 8.744 1.00 0.00 C ATOM 1370 CD ARG A 87 -4.638 2.179 9.383 1.00 0.00 C ATOM 1371 NE ARG A 87 -3.323 2.027 8.758 1.00 0.00 N ATOM 1372 CZ ARG A 87 -2.281 2.833 8.981 1.00 0.00 C ATOM 1373 NH1 ARG A 87 -2.382 3.842 9.838 1.00 0.00 N ATOM 1374 NH2 ARG A 87 -1.133 2.617 8.359 1.00 0.00 N ATOM 0 H ARG A 87 -7.984 2.005 7.172 1.00 0.00 H new ATOM 0 HA ARG A 87 -7.793 -0.424 8.632 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -7.330 2.493 9.362 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.974 1.163 10.445 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -5.359 0.239 8.826 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -5.752 1.505 7.681 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -4.960 3.217 9.303 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -4.563 1.949 10.446 1.00 0.00 H new ATOM 0 HE ARG A 87 -3.193 1.252 8.107 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -3.259 4.006 10.331 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -1.582 4.453 10.003 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -1.044 1.835 7.710 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -0.337 3.232 8.529 1.00 0.00 H new ATOM 1388 N ALA A 88 -10.406 1.372 9.210 1.00 0.00 N ATOM 1389 CA ALA A 88 -11.667 1.445 9.956 1.00 0.00 C ATOM 1390 C ALA A 88 -12.403 0.099 9.961 1.00 0.00 C ATOM 1391 O ALA A 88 -13.152 -0.203 10.885 1.00 0.00 O ATOM 1392 CB ALA A 88 -12.560 2.532 9.378 1.00 0.00 C ATOM 0 H ALA A 88 -10.373 1.970 8.384 1.00 0.00 H new ATOM 0 HA ALA A 88 -11.425 1.693 10.989 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -13.492 2.575 9.941 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -12.052 3.494 9.444 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -12.777 2.307 8.334 1.00 0.00 H new ATOM 1398 N LEU A 89 -12.148 -0.714 8.940 1.00 0.00 N ATOM 1399 CA LEU A 89 -12.799 -2.025 8.780 1.00 0.00 C ATOM 1400 C LEU A 89 -12.238 -3.064 9.756 1.00 0.00 C ATOM 1401 O LEU A 89 -12.712 -4.209 9.808 1.00 0.00 O ATOM 1402 CB LEU A 89 -12.659 -2.532 7.331 1.00 0.00 C ATOM 1403 CG LEU A 89 -13.661 -1.974 6.304 1.00 0.00 C ATOM 1404 CD1 LEU A 89 -13.512 -0.471 6.135 1.00 0.00 C ATOM 1405 CD2 LEU A 89 -13.494 -2.679 4.967 1.00 0.00 C ATOM 0 H LEU A 89 -11.486 -0.489 8.197 1.00 0.00 H new ATOM 0 HA LEU A 89 -13.856 -1.888 9.008 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -11.652 -2.300 6.985 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -12.750 -3.618 7.340 1.00 0.00 H new ATOM 0 HG LEU A 89 -14.665 -2.165 6.682 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -14.236 -0.114 5.402 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -13.690 0.022 7.091 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -12.504 -0.242 5.790 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -14.209 -2.274 4.251 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -12.481 -2.522 4.597 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -13.672 -3.747 5.094 1.00 0.00 H new ATOM 1417 N ARG A 90 -11.211 -2.669 10.492 1.00 0.00 N ATOM 1418 CA ARG A 90 -10.527 -3.542 11.442 1.00 0.00 C ATOM 1419 C ARG A 90 -11.506 -4.205 12.439 1.00 0.00 C ATOM 1420 O ARG A 90 -12.437 -3.572 12.946 1.00 0.00 O ATOM 1421 CB ARG A 90 -9.457 -2.732 12.193 1.00 0.00 C ATOM 1422 CG ARG A 90 -9.965 -1.945 13.398 1.00 0.00 C ATOM 1423 CD ARG A 90 -8.951 -0.902 13.849 1.00 0.00 C ATOM 1424 NE ARG A 90 -7.625 -1.481 14.088 1.00 0.00 N ATOM 1425 CZ ARG A 90 -6.701 -0.960 14.905 1.00 0.00 C ATOM 1426 NH1 ARG A 90 -6.988 0.097 15.657 1.00 0.00 N ATOM 1427 NH2 ARG A 90 -5.492 -1.504 14.972 1.00 0.00 N ATOM 0 H ARG A 90 -10.823 -1.727 10.449 1.00 0.00 H new ATOM 0 HA ARG A 90 -10.056 -4.350 10.882 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -8.676 -3.415 12.528 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -8.994 -2.036 11.494 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -10.905 -1.455 13.144 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -10.174 -2.630 14.220 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -8.873 -0.123 13.091 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -9.306 -0.424 14.762 1.00 0.00 H new ATOM 0 HE ARG A 90 -7.390 -2.343 13.596 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -7.917 0.516 15.614 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -6.280 0.489 16.277 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -5.267 -2.319 14.401 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -4.788 -1.107 15.594 1.00 0.00 H new ATOM 1441 N GLU A 91 -11.267 -5.483 12.714 1.00 0.00 N ATOM 1442 CA GLU A 91 -12.089 -6.257 13.647 1.00 0.00 C ATOM 1443 C GLU A 91 -11.705 -5.956 15.077 1.00 0.00 C ATOM 1444 O GLU A 91 -12.260 -6.525 16.010 1.00 0.00 O ATOM 1445 CB GLU A 91 -11.952 -7.755 13.367 1.00 0.00 C ATOM 1446 CG GLU A 91 -12.508 -8.173 12.014 1.00 0.00 C ATOM 1447 CD GLU A 91 -12.381 -9.660 11.754 1.00 0.00 C ATOM 1448 OE1 GLU A 91 -11.254 -10.198 11.828 1.00 0.00 O ATOM 1449 OE2 GLU A 91 -13.417 -10.305 11.482 1.00 0.00 O ATOM 0 H GLU A 91 -10.501 -6.013 12.299 1.00 0.00 H new ATOM 0 HA GLU A 91 -13.130 -5.968 13.502 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -10.899 -8.031 13.419 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -12.467 -8.311 14.150 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -13.559 -7.888 11.956 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -11.986 -7.627 11.229 1.00 0.00 H new ATOM 1456 N HIS A 92 -10.747 -5.056 15.245 1.00 0.00 N ATOM 1457 CA HIS A 92 -10.326 -4.632 16.569 1.00 0.00 C ATOM 1458 C HIS A 92 -11.434 -3.819 17.220 1.00 0.00 C ATOM 1459 O HIS A 92 -11.433 -3.613 18.428 1.00 0.00 O ATOM 1460 CB HIS A 92 -9.022 -3.832 16.513 1.00 0.00 C ATOM 1461 CG HIS A 92 -7.842 -4.644 16.065 1.00 0.00 C ATOM 1462 ND1 HIS A 92 -7.370 -4.630 14.769 1.00 0.00 N ATOM 1463 CD2 HIS A 92 -7.048 -5.512 16.740 1.00 0.00 C ATOM 1464 CE1 HIS A 92 -6.340 -5.454 14.668 1.00 0.00 C ATOM 1465 NE2 HIS A 92 -6.125 -5.998 15.847 1.00 0.00 N ATOM 0 H HIS A 92 -10.247 -4.606 14.479 1.00 0.00 H new ATOM 0 HA HIS A 92 -10.133 -5.519 17.172 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -9.151 -2.988 15.835 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -8.815 -3.419 17.500 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -7.127 -5.772 17.785 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -5.772 -5.648 13.770 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -5.391 -6.672 16.063 1.00 0.00 H new ATOM 1473 N GLY A 93 -12.375 -3.335 16.390 1.00 0.00 N ATOM 1474 CA GLY A 93 -13.550 -2.677 16.918 1.00 0.00 C ATOM 1475 C GLY A 93 -14.374 -3.677 17.696 1.00 0.00 C ATOM 1476 O GLY A 93 -14.873 -3.377 18.777 1.00 0.00 O ATOM 0 H GLY A 93 -12.334 -3.392 15.372 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -13.258 -1.848 17.563 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -14.141 -2.255 16.105 1.00 0.00 H new ATOM 1480 N THR A 94 -14.514 -4.870 17.093 1.00 0.00 N ATOM 1481 CA THR A 94 -15.098 -6.071 17.717 1.00 0.00 C ATOM 1482 C THR A 94 -16.505 -5.884 18.304 1.00 0.00 C ATOM 1483 O THR A 94 -17.208 -4.940 17.983 1.00 0.00 O ATOM 1484 CB THR A 94 -14.129 -6.627 18.776 1.00 0.00 C ATOM 1485 OG1 THR A 94 -14.414 -8.006 19.057 1.00 0.00 O ATOM 1486 CG2 THR A 94 -14.158 -5.826 20.073 1.00 0.00 C ATOM 0 H THR A 94 -14.216 -5.030 16.131 1.00 0.00 H new ATOM 0 HA THR A 94 -15.235 -6.790 16.909 1.00 0.00 H new ATOM 0 HB THR A 94 -13.128 -6.540 18.353 1.00 0.00 H new ATOM 0 HG1 THR A 94 -13.785 -8.339 19.731 1.00 0.00 H new ATOM 0 HG21 THR A 94 -13.456 -6.261 20.785 1.00 0.00 H new ATOM 0 HG22 THR A 94 -13.875 -4.793 19.869 1.00 0.00 H new ATOM 0 HG23 THR A 94 -15.163 -5.850 20.493 1.00 0.00 H new ATOM 1494 N ILE A 95 -16.915 -6.844 19.130 1.00 0.00 N ATOM 1495 CA ILE A 95 -18.208 -6.813 19.772 1.00 0.00 C ATOM 1496 C ILE A 95 -18.194 -5.788 20.878 1.00 0.00 C ATOM 1497 O ILE A 95 -17.624 -6.014 21.951 1.00 0.00 O ATOM 1498 CB ILE A 95 -18.580 -8.200 20.357 1.00 0.00 C ATOM 1499 CG1 ILE A 95 -18.648 -9.242 19.237 1.00 0.00 C ATOM 1500 CG2 ILE A 95 -19.909 -8.134 21.107 1.00 0.00 C ATOM 1501 CD1 ILE A 95 -18.806 -10.661 19.735 1.00 0.00 C ATOM 0 H ILE A 95 -16.353 -7.662 19.367 1.00 0.00 H new ATOM 0 HA ILE A 95 -18.955 -6.548 19.024 1.00 0.00 H new ATOM 0 HB ILE A 95 -17.806 -8.495 21.066 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -19.484 -9.002 18.580 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -17.741 -9.176 18.636 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -20.149 -9.118 21.509 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -19.830 -7.418 21.925 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -20.697 -7.819 20.423 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -18.847 -11.342 18.885 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -17.958 -10.921 20.368 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -19.728 -10.744 20.311 1.00 0.00 H new ATOM 1513 N TYR A 96 -18.793 -4.658 20.607 1.00 0.00 N ATOM 1514 CA TYR A 96 -18.825 -3.589 21.552 1.00 0.00 C ATOM 1515 C TYR A 96 -20.244 -3.405 22.061 1.00 0.00 C ATOM 1516 O TYR A 96 -21.186 -3.332 21.260 1.00 0.00 O ATOM 1517 CB TYR A 96 -18.331 -2.290 20.914 1.00 0.00 C ATOM 1518 CG TYR A 96 -17.682 -1.376 21.910 1.00 0.00 C ATOM 1519 CD1 TYR A 96 -18.436 -0.661 22.827 1.00 0.00 C ATOM 1520 CD2 TYR A 96 -16.305 -1.281 21.975 1.00 0.00 C ATOM 1521 CE1 TYR A 96 -17.833 0.136 23.775 1.00 0.00 C ATOM 1522 CE2 TYR A 96 -15.688 -0.497 22.924 1.00 0.00 C ATOM 1523 CZ TYR A 96 -16.458 0.213 23.821 1.00 0.00 C ATOM 1524 OH TYR A 96 -15.853 0.979 24.781 1.00 0.00 O ATOM 0 H TYR A 96 -19.269 -4.460 19.727 1.00 0.00 H new ATOM 0 HA TYR A 96 -18.166 -3.837 22.384 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -17.619 -2.525 20.122 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -19.170 -1.776 20.446 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -19.513 -0.730 22.798 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -15.702 -1.832 21.269 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -18.433 0.696 24.477 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -14.610 -0.439 22.965 1.00 0.00 H new ATOM 0 HH TYR A 96 -14.880 0.926 24.677 1.00 0.00 H new ATOM 1534 N CYS A 97 -20.400 -3.367 23.391 1.00 0.00 N ATOM 1535 CA CYS A 97 -21.710 -3.174 24.047 1.00 0.00 C ATOM 1536 C CYS A 97 -22.608 -4.416 23.911 1.00 0.00 C ATOM 1537 O CYS A 97 -23.343 -4.769 24.838 1.00 0.00 O ATOM 1538 CB CYS A 97 -22.422 -1.923 23.494 1.00 0.00 C ATOM 1539 SG CYS A 97 -23.967 -1.495 24.335 1.00 0.00 S ATOM 0 H CYS A 97 -19.625 -3.469 24.046 1.00 0.00 H new ATOM 0 HA CYS A 97 -21.520 -3.023 25.110 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -21.741 -1.075 23.562 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -22.632 -2.080 22.436 1.00 0.00 H new ATOM 0 HG CYS A 97 -24.477 -0.430 23.791 1.00 0.00 H new ATOM 1545 N GLY A 98 -22.530 -5.081 22.772 1.00 0.00 N ATOM 1546 CA GLY A 98 -23.339 -6.252 22.531 1.00 0.00 C ATOM 1547 C GLY A 98 -23.283 -6.722 21.087 1.00 0.00 C ATOM 1548 O GLY A 98 -23.649 -7.858 20.787 1.00 0.00 O ATOM 0 H GLY A 98 -21.912 -4.826 22.001 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -23.005 -7.059 23.184 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -24.373 -6.034 22.797 1.00 0.00 H new ATOM 1552 N ALA A 99 -22.827 -5.859 20.188 1.00 0.00 N ATOM 1553 CA ALA A 99 -22.741 -6.209 18.776 1.00 0.00 C ATOM 1554 C ALA A 99 -21.388 -5.830 18.198 1.00 0.00 C ATOM 1555 O ALA A 99 -20.729 -4.923 18.699 1.00 0.00 O ATOM 1556 CB ALA A 99 -23.856 -5.525 17.998 1.00 0.00 C ATOM 0 H ALA A 99 -22.512 -4.915 20.410 1.00 0.00 H new ATOM 0 HA ALA A 99 -22.855 -7.289 18.687 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -23.782 -5.794 16.944 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -24.822 -5.847 18.388 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -23.764 -4.444 18.104 1.00 0.00 H new ATOM 1562 N ALA A 100 -20.973 -6.535 17.152 1.00 0.00 N ATOM 1563 CA ALA A 100 -19.699 -6.253 16.489 1.00 0.00 C ATOM 1564 C ALA A 100 -19.769 -4.944 15.731 1.00 0.00 C ATOM 1565 O ALA A 100 -20.847 -4.531 15.283 1.00 0.00 O ATOM 1566 CB ALA A 100 -19.304 -7.394 15.551 1.00 0.00 C ATOM 0 H ALA A 100 -21.498 -7.307 16.742 1.00 0.00 H new ATOM 0 HA ALA A 100 -18.932 -6.166 17.259 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -18.354 -7.158 15.072 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -19.203 -8.317 16.123 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -20.073 -7.521 14.789 1.00 0.00 H new ATOM 1572 N ILE A 101 -18.633 -4.298 15.574 1.00 0.00 N ATOM 1573 CA ILE A 101 -18.586 -3.039 14.884 1.00 0.00 C ATOM 1574 C ILE A 101 -18.526 -3.294 13.390 1.00 0.00 C ATOM 1575 O ILE A 101 -17.604 -3.947 12.896 1.00 0.00 O ATOM 1576 CB ILE A 101 -17.347 -2.206 15.292 1.00 0.00 C ATOM 1577 CG1 ILE A 101 -17.139 -2.232 16.811 1.00 0.00 C ATOM 1578 CG2 ILE A 101 -17.471 -0.776 14.793 1.00 0.00 C ATOM 1579 CD1 ILE A 101 -16.513 -0.965 17.371 1.00 0.00 C ATOM 0 H ILE A 101 -17.732 -4.630 15.918 1.00 0.00 H new ATOM 0 HA ILE A 101 -19.481 -2.478 15.151 1.00 0.00 H new ATOM 0 HB ILE A 101 -16.472 -2.658 14.825 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -18.101 -2.395 17.296 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -16.505 -3.081 17.066 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -16.589 -0.209 15.091 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -17.552 -0.776 13.706 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -18.361 -0.316 15.223 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -16.399 -1.062 18.451 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -15.535 -0.810 16.915 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -17.156 -0.113 17.149 1.00 0.00 H new ATOM 1591 N GLY A 102 -19.515 -2.799 12.684 1.00 0.00 N ATOM 1592 CA GLY A 102 -19.585 -3.010 11.263 1.00 0.00 C ATOM 1593 C GLY A 102 -19.226 -1.777 10.485 1.00 0.00 C ATOM 1594 O GLY A 102 -20.022 -0.841 10.393 1.00 0.00 O ATOM 0 H GLY A 102 -20.280 -2.248 13.073 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -18.912 -3.821 10.985 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -20.593 -3.326 10.994 1.00 0.00 H new ATOM 1598 N CYS A 103 -18.032 -1.767 9.936 1.00 0.00 N ATOM 1599 CA CYS A 103 -17.573 -0.659 9.131 1.00 0.00 C ATOM 1600 C CYS A 103 -17.510 -1.087 7.676 1.00 0.00 C ATOM 1601 O CYS A 103 -16.677 -1.910 7.301 1.00 0.00 O ATOM 1602 CB CYS A 103 -16.196 -0.215 9.597 1.00 0.00 C ATOM 1603 SG CYS A 103 -16.039 -0.039 11.393 1.00 0.00 S ATOM 0 H CYS A 103 -17.355 -2.523 10.035 1.00 0.00 H new ATOM 0 HA CYS A 103 -18.267 0.175 9.235 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -15.457 -0.936 9.248 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -15.956 0.739 9.128 1.00 0.00 H new ATOM 0 HG CYS A 103 -14.781 0.007 11.716 1.00 0.00 H new ATOM 1609 N VAL A 104 -18.396 -0.554 6.871 1.00 0.00 N ATOM 1610 CA VAL A 104 -18.442 -0.906 5.466 1.00 0.00 C ATOM 1611 C VAL A 104 -18.061 0.291 4.598 1.00 0.00 C ATOM 1612 O VAL A 104 -18.141 1.442 5.048 1.00 0.00 O ATOM 1613 CB VAL A 104 -19.848 -1.420 5.046 1.00 0.00 C ATOM 1614 CG1 VAL A 104 -20.210 -2.688 5.804 1.00 0.00 C ATOM 1615 CG2 VAL A 104 -20.907 -0.345 5.261 1.00 0.00 C ATOM 0 H VAL A 104 -19.098 0.127 7.162 1.00 0.00 H new ATOM 0 HA VAL A 104 -17.722 -1.710 5.315 1.00 0.00 H new ATOM 0 HB VAL A 104 -19.815 -1.656 3.982 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -21.198 -3.028 5.493 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -19.475 -3.463 5.588 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -20.217 -2.482 6.874 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -21.882 -0.729 4.960 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -20.936 -0.068 6.315 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -20.662 0.532 4.662 1.00 0.00 H new ATOM 1625 N PRO A 105 -17.621 0.036 3.349 1.00 0.00 N ATOM 1626 CA PRO A 105 -17.293 1.100 2.399 1.00 0.00 C ATOM 1627 C PRO A 105 -18.519 1.939 2.079 1.00 0.00 C ATOM 1628 O PRO A 105 -19.648 1.441 2.140 1.00 0.00 O ATOM 1629 CB PRO A 105 -16.823 0.345 1.148 1.00 0.00 C ATOM 1630 CG PRO A 105 -16.493 -1.027 1.620 1.00 0.00 C ATOM 1631 CD PRO A 105 -17.406 -1.301 2.773 1.00 0.00 C ATOM 0 HA PRO A 105 -16.544 1.789 2.788 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -17.602 0.322 0.386 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -15.954 0.827 0.701 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -16.639 -1.758 0.825 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -15.449 -1.093 1.926 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -18.342 -1.756 2.448 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -16.954 -1.983 3.493 1.00 0.00 H new ATOM 1639 N TYR A 106 -18.306 3.208 1.756 1.00 0.00 N ATOM 1640 CA TYR A 106 -19.409 4.108 1.461 1.00 0.00 C ATOM 1641 C TYR A 106 -20.239 3.590 0.288 1.00 0.00 C ATOM 1642 O TYR A 106 -19.755 3.493 -0.845 1.00 0.00 O ATOM 1643 CB TYR A 106 -18.895 5.516 1.154 1.00 0.00 C ATOM 1644 CG TYR A 106 -20.001 6.524 0.913 1.00 0.00 C ATOM 1645 CD1 TYR A 106 -20.668 7.112 1.975 1.00 0.00 C ATOM 1646 CD2 TYR A 106 -20.377 6.887 -0.378 1.00 0.00 C ATOM 1647 CE1 TYR A 106 -21.677 8.030 1.767 1.00 0.00 C ATOM 1648 CE2 TYR A 106 -21.388 7.807 -0.594 1.00 0.00 C ATOM 1649 CZ TYR A 106 -22.035 8.375 0.482 1.00 0.00 C ATOM 1650 OH TYR A 106 -23.040 9.293 0.273 1.00 0.00 O ATOM 0 H TYR A 106 -17.382 3.635 1.692 1.00 0.00 H new ATOM 0 HA TYR A 106 -20.045 4.152 2.345 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -18.277 5.858 1.984 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -18.253 5.476 0.274 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -20.393 6.847 2.985 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -19.872 6.444 -1.223 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -22.185 8.477 2.609 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -21.669 8.079 -1.601 1.00 0.00 H new ATOM 0 HH TYR A 106 -23.167 9.425 -0.690 1.00 0.00 H new ATOM 1660 N LYS A 107 -21.479 3.254 0.577 1.00 0.00 N ATOM 1661 CA LYS A 107 -22.403 2.782 -0.428 1.00 0.00 C ATOM 1662 C LYS A 107 -23.594 3.715 -0.486 1.00 0.00 C ATOM 1663 O LYS A 107 -24.328 3.859 0.496 1.00 0.00 O ATOM 1664 CB LYS A 107 -22.858 1.355 -0.110 1.00 0.00 C ATOM 1665 CG LYS A 107 -21.736 0.336 -0.165 1.00 0.00 C ATOM 1666 CD LYS A 107 -22.223 -1.053 0.202 1.00 0.00 C ATOM 1667 CE LYS A 107 -21.088 -2.060 0.159 1.00 0.00 C ATOM 1668 NZ LYS A 107 -21.537 -3.424 0.529 1.00 0.00 N ATOM 0 H LYS A 107 -21.873 3.301 1.517 1.00 0.00 H new ATOM 0 HA LYS A 107 -21.905 2.770 -1.398 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -23.305 1.338 0.884 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -23.637 1.065 -0.815 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -21.308 0.319 -1.167 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -20.939 0.634 0.516 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -22.661 -1.036 1.200 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -23.011 -1.359 -0.486 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -20.659 -2.079 -0.843 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -20.297 -1.743 0.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -20.730 -4.079 0.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -21.923 -3.412 1.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -22.274 -3.739 -0.134 1.00 0.00 H new ATOM 1682 N HIS A 108 -23.779 4.345 -1.626 1.00 0.00 N ATOM 1683 CA HIS A 108 -24.851 5.319 -1.805 1.00 0.00 C ATOM 1684 C HIS A 108 -26.232 4.692 -1.592 1.00 0.00 C ATOM 1685 O HIS A 108 -27.103 5.296 -0.968 1.00 0.00 O ATOM 1686 CB HIS A 108 -24.759 5.967 -3.191 1.00 0.00 C ATOM 1687 CG HIS A 108 -25.789 7.031 -3.434 1.00 0.00 C ATOM 1688 ND1 HIS A 108 -25.749 8.270 -2.831 1.00 0.00 N ATOM 1689 CD2 HIS A 108 -26.889 7.034 -4.218 1.00 0.00 C ATOM 1690 CE1 HIS A 108 -26.783 8.986 -3.234 1.00 0.00 C ATOM 1691 NE2 HIS A 108 -27.488 8.259 -4.076 1.00 0.00 N ATOM 0 H HIS A 108 -23.199 4.203 -2.453 1.00 0.00 H new ATOM 0 HA HIS A 108 -24.724 6.091 -1.046 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -23.767 6.401 -3.313 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -24.864 5.193 -3.951 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -27.233 6.222 -4.841 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -27.011 9.996 -2.926 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -28.342 8.559 -4.547 1.00 0.00 H new ATOM 1699 N GLU A 109 -26.420 3.482 -2.099 1.00 0.00 N ATOM 1700 CA GLU A 109 -27.697 2.790 -1.971 1.00 0.00 C ATOM 1701 C GLU A 109 -28.010 2.516 -0.498 1.00 0.00 C ATOM 1702 O GLU A 109 -29.138 2.719 -0.042 1.00 0.00 O ATOM 1703 CB GLU A 109 -27.664 1.474 -2.740 1.00 0.00 C ATOM 1704 CG GLU A 109 -28.993 0.746 -2.759 1.00 0.00 C ATOM 1705 CD GLU A 109 -30.018 1.410 -3.657 1.00 0.00 C ATOM 1706 OE1 GLU A 109 -29.620 2.137 -4.592 1.00 0.00 O ATOM 1707 OE2 GLU A 109 -31.227 1.180 -3.457 1.00 0.00 O ATOM 0 H GLU A 109 -25.705 2.958 -2.603 1.00 0.00 H new ATOM 0 HA GLU A 109 -28.476 3.428 -2.387 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -27.353 1.671 -3.766 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -26.910 0.823 -2.297 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -28.835 -0.279 -3.093 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -29.387 0.693 -1.744 1.00 0.00 H new ATOM 1714 N LEU A 110 -26.992 2.079 0.242 1.00 0.00 N ATOM 1715 CA LEU A 110 -27.146 1.786 1.663 1.00 0.00 C ATOM 1716 C LEU A 110 -27.531 3.050 2.416 1.00 0.00 C ATOM 1717 O LEU A 110 -28.424 3.035 3.262 1.00 0.00 O ATOM 1718 CB LEU A 110 -25.846 1.206 2.237 1.00 0.00 C ATOM 1719 CG LEU A 110 -25.867 0.855 3.729 1.00 0.00 C ATOM 1720 CD1 LEU A 110 -26.873 -0.252 4.012 1.00 0.00 C ATOM 1721 CD2 LEU A 110 -24.481 0.451 4.202 1.00 0.00 C ATOM 0 H LEU A 110 -26.052 1.921 -0.121 1.00 0.00 H new ATOM 0 HA LEU A 110 -27.937 1.046 1.782 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -25.594 0.306 1.676 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -25.044 1.924 2.064 1.00 0.00 H new ATOM 0 HG LEU A 110 -26.175 1.742 4.282 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -26.869 -0.483 5.077 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -27.869 0.077 3.715 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -26.602 -1.143 3.446 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -24.516 0.206 5.263 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -24.144 -0.419 3.639 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -23.787 1.277 4.043 1.00 0.00 H new ATOM 1733 N ILE A 111 -26.875 4.148 2.068 1.00 0.00 N ATOM 1734 CA ILE A 111 -27.136 5.435 2.687 1.00 0.00 C ATOM 1735 C ILE A 111 -28.573 5.868 2.412 1.00 0.00 C ATOM 1736 O ILE A 111 -29.268 6.365 3.305 1.00 0.00 O ATOM 1737 CB ILE A 111 -26.161 6.511 2.145 1.00 0.00 C ATOM 1738 CG1 ILE A 111 -24.724 6.192 2.568 1.00 0.00 C ATOM 1739 CG2 ILE A 111 -26.560 7.906 2.621 1.00 0.00 C ATOM 1740 CD1 ILE A 111 -24.491 6.221 4.070 1.00 0.00 C ATOM 0 H ILE A 111 -26.150 4.170 1.351 1.00 0.00 H new ATOM 0 HA ILE A 111 -26.987 5.332 3.762 1.00 0.00 H new ATOM 0 HB ILE A 111 -26.217 6.498 1.056 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -24.457 5.205 2.190 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -24.051 6.907 2.094 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -25.858 8.640 2.225 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -27.565 8.137 2.268 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -26.542 7.938 3.710 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -23.448 5.984 4.281 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -24.723 7.214 4.455 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -25.135 5.486 4.552 1.00 0.00 H new ATOM 1752 N SER A 112 -29.012 5.671 1.175 1.00 0.00 N ATOM 1753 CA SER A 112 -30.355 6.048 0.768 1.00 0.00 C ATOM 1754 C SER A 112 -31.405 5.314 1.599 1.00 0.00 C ATOM 1755 O SER A 112 -32.316 5.941 2.151 1.00 0.00 O ATOM 1756 CB SER A 112 -30.548 5.737 -0.716 1.00 0.00 C ATOM 1757 OG SER A 112 -31.656 6.435 -1.260 1.00 0.00 O ATOM 0 H SER A 112 -28.452 5.250 0.434 1.00 0.00 H new ATOM 0 HA SER A 112 -30.480 7.118 0.934 1.00 0.00 H new ATOM 0 HB2 SER A 112 -29.645 6.005 -1.264 1.00 0.00 H new ATOM 0 HB3 SER A 112 -30.694 4.665 -0.847 1.00 0.00 H new ATOM 0 HG SER A 112 -31.748 6.213 -2.210 1.00 0.00 H new ATOM 1763 N GLU A 113 -31.259 3.996 1.729 1.00 0.00 N ATOM 1764 CA GLU A 113 -32.214 3.219 2.525 1.00 0.00 C ATOM 1765 C GLU A 113 -32.187 3.638 3.993 1.00 0.00 C ATOM 1766 O GLU A 113 -33.243 3.750 4.638 1.00 0.00 O ATOM 1767 CB GLU A 113 -31.955 1.716 2.411 1.00 0.00 C ATOM 1768 CG GLU A 113 -32.243 1.134 1.042 1.00 0.00 C ATOM 1769 CD GLU A 113 -32.095 -0.372 1.020 1.00 0.00 C ATOM 1770 OE1 GLU A 113 -32.941 -1.068 1.635 1.00 0.00 O ATOM 1771 OE2 GLU A 113 -31.147 -0.874 0.388 1.00 0.00 O ATOM 0 H GLU A 113 -30.508 3.452 1.305 1.00 0.00 H new ATOM 0 HA GLU A 113 -33.203 3.429 2.119 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -30.913 1.519 2.665 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -32.567 1.197 3.149 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -33.255 1.403 0.740 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -31.565 1.575 0.311 1.00 0.00 H new ATOM 1778 N LEU A 114 -30.989 3.871 4.514 1.00 0.00 N ATOM 1779 CA LEU A 114 -30.823 4.288 5.893 1.00 0.00 C ATOM 1780 C LEU A 114 -31.469 5.650 6.145 1.00 0.00 C ATOM 1781 O LEU A 114 -32.139 5.848 7.157 1.00 0.00 O ATOM 1782 CB LEU A 114 -29.347 4.336 6.258 1.00 0.00 C ATOM 1783 CG LEU A 114 -28.633 2.990 6.291 1.00 0.00 C ATOM 1784 CD1 LEU A 114 -27.174 3.186 6.614 1.00 0.00 C ATOM 1785 CD2 LEU A 114 -29.284 2.051 7.299 1.00 0.00 C ATOM 0 H LEU A 114 -30.116 3.776 3.996 1.00 0.00 H new ATOM 0 HA LEU A 114 -31.324 3.554 6.524 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -28.835 4.981 5.544 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -29.248 4.804 7.238 1.00 0.00 H new ATOM 0 HG LEU A 114 -28.716 2.532 5.305 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -26.673 2.218 6.635 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -26.714 3.816 5.853 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -27.078 3.666 7.588 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -28.755 1.098 7.303 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -29.237 2.496 8.293 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -30.326 1.887 7.023 1.00 0.00 H new ATOM 1797 N SER A 115 -31.266 6.579 5.216 1.00 0.00 N ATOM 1798 CA SER A 115 -31.818 7.922 5.332 1.00 0.00 C ATOM 1799 C SER A 115 -33.351 7.914 5.255 1.00 0.00 C ATOM 1800 O SER A 115 -34.027 8.643 5.991 1.00 0.00 O ATOM 1801 CB SER A 115 -31.230 8.830 4.250 1.00 0.00 C ATOM 1802 OG SER A 115 -29.807 8.847 4.317 1.00 0.00 O ATOM 0 H SER A 115 -30.719 6.423 4.369 1.00 0.00 H new ATOM 0 HA SER A 115 -31.542 8.313 6.312 1.00 0.00 H new ATOM 0 HB2 SER A 115 -31.547 8.483 3.267 1.00 0.00 H new ATOM 0 HB3 SER A 115 -31.616 9.842 4.370 1.00 0.00 H new ATOM 0 HG SER A 115 -29.455 7.986 4.010 1.00 0.00 H new