USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 490 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 59 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 63 SER OG : rot 154:sc= 0.681 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 120:sc=-0.00263 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -72:sc= 0.703 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 CYS SG : rot 160:sc= -2.33! USER MOD Single : A 37 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.054) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HE2:sc= -3.45! C(o=-3.5!,f=-4.1!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -3.34! C(o=-3.3!,f=-5.4!) USER MOD Single : A 45 SER OG : rot 180:sc= -0.0618 USER MOD Single : A 51 LYS NZ :NH3+ 171:sc= -0.013 (180deg=-0.151) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot -4:sc= 0.785 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 TYR OH : rot 15:sc= -0.323 USER MOD ----------------------------------------------------------------- ATOM 147 N LYS A 11 -0.966 -7.194 -1.890 1.00 0.00 N ATOM 148 CA LYS A 11 -0.165 -6.022 -1.560 1.00 0.00 C ATOM 149 C LYS A 11 -0.746 -5.261 -0.385 1.00 0.00 C ATOM 150 O LYS A 11 -0.023 -4.607 0.334 1.00 0.00 O ATOM 151 CB LYS A 11 -0.015 -5.108 -2.758 1.00 0.00 C ATOM 152 CG LYS A 11 0.785 -5.740 -3.878 1.00 0.00 C ATOM 153 CD LYS A 11 0.950 -4.817 -5.071 1.00 0.00 C ATOM 154 CE LYS A 11 1.769 -5.493 -6.161 1.00 0.00 C ATOM 155 NZ LYS A 11 1.953 -4.628 -7.350 1.00 0.00 N ATOM 0 HA LYS A 11 0.824 -6.380 -1.273 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.003 -4.838 -3.130 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.471 -4.184 -2.446 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.769 -6.022 -3.503 1.00 0.00 H new ATOM 0 HG3 LYS A 11 0.292 -6.657 -4.199 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.029 -4.541 -5.462 1.00 0.00 H new ATOM 0 HD3 LYS A 11 1.440 -3.895 -4.759 1.00 0.00 H new ATOM 0 HE2 LYS A 11 2.745 -5.767 -5.761 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.276 -6.418 -6.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 2.517 -5.133 -8.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 1.024 -4.386 -7.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 2.447 -3.756 -7.072 1.00 0.00 H new ATOM 169 N PHE A 12 -2.050 -5.363 -0.181 1.00 0.00 N ATOM 170 CA PHE A 12 -2.675 -4.716 0.967 1.00 0.00 C ATOM 171 C PHE A 12 -2.159 -5.322 2.260 1.00 0.00 C ATOM 172 O PHE A 12 -1.946 -4.615 3.249 1.00 0.00 O ATOM 173 CB PHE A 12 -4.203 -4.787 0.924 1.00 0.00 C ATOM 174 CG PHE A 12 -4.857 -3.603 0.262 1.00 0.00 C ATOM 175 CD1 PHE A 12 -5.847 -3.770 -0.688 1.00 0.00 C ATOM 176 CD2 PHE A 12 -4.488 -2.316 0.616 1.00 0.00 C ATOM 177 CE1 PHE A 12 -6.459 -2.674 -1.268 1.00 0.00 C ATOM 178 CE2 PHE A 12 -5.089 -1.221 0.040 1.00 0.00 C ATOM 179 CZ PHE A 12 -6.076 -1.397 -0.901 1.00 0.00 C ATOM 0 H PHE A 12 -2.690 -5.879 -0.784 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.402 -3.662 0.924 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -4.499 -5.694 0.396 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.580 -4.874 1.943 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -6.145 -4.766 -0.980 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.716 -2.170 1.357 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -7.235 -2.815 -2.006 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -4.786 -0.225 0.326 1.00 0.00 H new ATOM 0 HZ PHE A 12 -6.551 -0.539 -1.353 1.00 0.00 H new ATOM 189 N TYR A 13 -1.939 -6.633 2.241 1.00 0.00 N ATOM 190 CA TYR A 13 -1.424 -7.315 3.415 1.00 0.00 C ATOM 191 C TYR A 13 0.030 -6.916 3.616 1.00 0.00 C ATOM 192 O TYR A 13 0.464 -6.639 4.728 1.00 0.00 O ATOM 193 CB TYR A 13 -1.530 -8.838 3.275 1.00 0.00 C ATOM 194 CG TYR A 13 -2.943 -9.372 3.152 1.00 0.00 C ATOM 195 CD1 TYR A 13 -3.440 -9.768 1.927 1.00 0.00 C ATOM 196 CD2 TYR A 13 -3.769 -9.494 4.263 1.00 0.00 C ATOM 197 CE1 TYR A 13 -4.716 -10.274 1.798 1.00 0.00 C ATOM 198 CE2 TYR A 13 -5.051 -9.997 4.146 1.00 0.00 C ATOM 199 CZ TYR A 13 -5.518 -10.386 2.909 1.00 0.00 C ATOM 200 OH TYR A 13 -6.790 -10.897 2.784 1.00 0.00 O ATOM 0 H TYR A 13 -2.108 -7.235 1.435 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.022 -7.021 4.278 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -0.963 -9.148 2.397 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.056 -9.301 4.140 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.816 -9.680 1.050 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.403 -9.191 5.233 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -5.083 -10.581 0.830 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -5.682 -10.085 5.018 1.00 0.00 H new ATOM 0 HH TYR A 13 -6.875 -11.701 3.338 1.00 0.00 H new ATOM 210 N ASP A 14 0.766 -6.870 2.505 1.00 0.00 N ATOM 211 CA ASP A 14 2.176 -6.441 2.503 1.00 0.00 C ATOM 212 C ASP A 14 2.337 -5.024 3.011 1.00 0.00 C ATOM 213 O ASP A 14 3.258 -4.726 3.775 1.00 0.00 O ATOM 214 CB ASP A 14 2.755 -6.521 1.092 1.00 0.00 C ATOM 215 CG ASP A 14 3.041 -7.932 0.640 1.00 0.00 C ATOM 216 OD1 ASP A 14 4.040 -8.515 1.103 1.00 0.00 O ATOM 217 OD2 ASP A 14 2.279 -8.469 -0.184 1.00 0.00 O ATOM 0 H ASP A 14 0.410 -7.126 1.584 1.00 0.00 H new ATOM 0 HA ASP A 14 2.712 -7.115 3.171 1.00 0.00 H new ATOM 0 HB2 ASP A 14 2.057 -6.058 0.394 1.00 0.00 H new ATOM 0 HB3 ASP A 14 3.677 -5.941 1.052 1.00 0.00 H new ATOM 222 N ILE A 15 1.447 -4.156 2.584 1.00 0.00 N ATOM 223 CA ILE A 15 1.465 -2.774 3.005 1.00 0.00 C ATOM 224 C ILE A 15 1.302 -2.639 4.524 1.00 0.00 C ATOM 225 O ILE A 15 2.080 -1.936 5.174 1.00 0.00 O ATOM 226 CB ILE A 15 0.380 -1.967 2.252 1.00 0.00 C ATOM 227 CG1 ILE A 15 0.781 -1.768 0.783 1.00 0.00 C ATOM 228 CG2 ILE A 15 0.074 -0.639 2.934 1.00 0.00 C ATOM 229 CD1 ILE A 15 -0.325 -1.192 -0.079 1.00 0.00 C ATOM 0 H ILE A 15 0.693 -4.388 1.937 1.00 0.00 H new ATOM 0 HA ILE A 15 2.441 -2.361 2.752 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.542 -2.548 2.279 1.00 0.00 H new ATOM 0 HG12 ILE A 15 1.646 -1.106 0.738 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.091 -2.727 0.367 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.693 -0.108 2.370 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.284 -0.824 3.947 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.979 -0.033 2.974 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.032 -1.080 -1.103 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.184 -1.863 -0.066 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.620 -0.218 0.311 1.00 0.00 H new ATOM 241 N LEU A 16 0.304 -3.307 5.082 1.00 0.00 N ATOM 242 CA LEU A 16 0.129 -3.310 6.534 1.00 0.00 C ATOM 243 C LEU A 16 1.238 -4.091 7.256 1.00 0.00 C ATOM 244 O LEU A 16 1.571 -3.792 8.402 1.00 0.00 O ATOM 245 CB LEU A 16 -1.251 -3.845 6.943 1.00 0.00 C ATOM 246 CG LEU A 16 -2.462 -2.976 6.579 1.00 0.00 C ATOM 247 CD1 LEU A 16 -3.745 -3.663 7.007 1.00 0.00 C ATOM 248 CD2 LEU A 16 -2.354 -1.605 7.231 1.00 0.00 C ATOM 0 H LEU A 16 -0.389 -3.847 4.565 1.00 0.00 H new ATOM 0 HA LEU A 16 0.199 -2.268 6.847 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.385 -4.825 6.485 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.252 -3.995 8.023 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.479 -2.841 5.498 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.598 -3.037 6.744 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.830 -4.624 6.500 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.730 -3.822 8.085 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.222 -1.004 6.961 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.315 -1.719 8.314 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.447 -1.108 6.886 1.00 0.00 H new ATOM 260 N GLY A 17 1.816 -5.074 6.584 1.00 0.00 N ATOM 261 CA GLY A 17 2.836 -5.889 7.217 1.00 0.00 C ATOM 262 C GLY A 17 2.230 -7.124 7.850 1.00 0.00 C ATOM 263 O GLY A 17 2.838 -7.773 8.703 1.00 0.00 O ATOM 0 H GLY A 17 1.601 -5.323 5.618 1.00 0.00 H new ATOM 0 HA2 GLY A 17 3.581 -6.183 6.478 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.354 -5.304 7.977 1.00 0.00 H new ATOM 267 N VAL A 18 1.027 -7.436 7.424 1.00 0.00 N ATOM 268 CA VAL A 18 0.283 -8.574 7.932 1.00 0.00 C ATOM 269 C VAL A 18 0.260 -9.696 6.901 1.00 0.00 C ATOM 270 O VAL A 18 0.418 -9.446 5.707 1.00 0.00 O ATOM 271 CB VAL A 18 -1.172 -8.186 8.285 1.00 0.00 C ATOM 272 CG1 VAL A 18 -1.189 -7.173 9.399 1.00 0.00 C ATOM 273 CG2 VAL A 18 -1.907 -7.650 7.067 1.00 0.00 C ATOM 0 H VAL A 18 0.530 -6.905 6.709 1.00 0.00 H new ATOM 0 HA VAL A 18 0.786 -8.913 8.838 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.689 -9.085 8.621 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.220 -6.910 9.636 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.710 -7.595 10.282 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.649 -6.279 9.086 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.927 -7.385 7.345 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.392 -6.766 6.691 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.929 -8.414 6.290 1.00 0.00 H new ATOM 283 N PRO A 19 0.092 -10.946 7.343 1.00 0.00 N ATOM 284 CA PRO A 19 -0.014 -12.087 6.434 1.00 0.00 C ATOM 285 C PRO A 19 -1.342 -12.071 5.701 1.00 0.00 C ATOM 286 O PRO A 19 -2.273 -11.394 6.115 1.00 0.00 O ATOM 287 CB PRO A 19 0.039 -13.295 7.372 1.00 0.00 C ATOM 288 CG PRO A 19 -0.494 -12.782 8.659 1.00 0.00 C ATOM 289 CD PRO A 19 -0.016 -11.359 8.761 1.00 0.00 C ATOM 0 HA PRO A 19 0.765 -12.088 5.672 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -0.563 -14.120 6.992 1.00 0.00 H new ATOM 0 HB3 PRO A 19 1.057 -13.668 7.483 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.583 -12.831 8.679 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -0.132 -13.377 9.497 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -0.720 -10.735 9.312 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.942 -11.290 9.276 1.00 0.00 H new ATOM 297 N VAL A 20 -1.428 -12.800 4.615 1.00 0.00 N ATOM 298 CA VAL A 20 -2.676 -12.932 3.887 1.00 0.00 C ATOM 299 C VAL A 20 -3.728 -13.571 4.814 1.00 0.00 C ATOM 300 O VAL A 20 -4.926 -13.281 4.740 1.00 0.00 O ATOM 301 CB VAL A 20 -2.490 -13.798 2.613 1.00 0.00 C ATOM 302 CG1 VAL A 20 -3.818 -14.042 1.917 1.00 0.00 C ATOM 303 CG2 VAL A 20 -1.501 -13.140 1.661 1.00 0.00 C ATOM 0 H VAL A 20 -0.646 -13.315 4.210 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.009 -11.944 3.571 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.089 -14.764 2.919 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.656 -14.651 1.028 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.494 -14.562 2.595 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.258 -13.088 1.628 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.383 -13.761 0.773 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.874 -12.158 1.370 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.537 -13.029 2.157 1.00 0.00 H new ATOM 313 N THR A 21 -3.243 -14.439 5.690 1.00 0.00 N ATOM 314 CA THR A 21 -4.069 -15.161 6.649 1.00 0.00 C ATOM 315 C THR A 21 -4.245 -14.342 7.958 1.00 0.00 C ATOM 316 O THR A 21 -4.635 -14.881 8.998 1.00 0.00 O ATOM 317 CB THR A 21 -3.395 -16.503 6.989 1.00 0.00 C ATOM 318 OG1 THR A 21 -2.740 -17.012 5.814 1.00 0.00 O ATOM 319 CG2 THR A 21 -4.420 -17.524 7.470 1.00 0.00 C ATOM 0 H THR A 21 -2.251 -14.665 5.756 1.00 0.00 H new ATOM 0 HA THR A 21 -5.050 -15.327 6.203 1.00 0.00 H new ATOM 0 HB THR A 21 -2.672 -16.335 7.787 1.00 0.00 H new ATOM 0 HG1 THR A 21 -2.307 -17.866 6.025 1.00 0.00 H new ATOM 0 HG21 THR A 21 -3.917 -18.462 7.703 1.00 0.00 H new ATOM 0 HG22 THR A 21 -4.917 -17.147 8.364 1.00 0.00 H new ATOM 0 HG23 THR A 21 -5.160 -17.693 6.687 1.00 0.00 H new ATOM 327 N ALA A 22 -3.979 -13.038 7.880 1.00 0.00 N ATOM 328 CA ALA A 22 -4.003 -12.150 9.050 1.00 0.00 C ATOM 329 C ALA A 22 -5.344 -12.092 9.756 1.00 0.00 C ATOM 330 O ALA A 22 -6.409 -12.263 9.151 1.00 0.00 O ATOM 331 CB ALA A 22 -3.588 -10.746 8.663 1.00 0.00 C ATOM 0 H ALA A 22 -3.741 -12.565 7.008 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.291 -12.583 9.753 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -3.612 -10.104 9.543 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.577 -10.765 8.255 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.275 -10.358 7.911 1.00 0.00 H new ATOM 337 N THR A 23 -5.267 -11.841 11.043 1.00 0.00 N ATOM 338 CA THR A 23 -6.427 -11.676 11.882 1.00 0.00 C ATOM 339 C THR A 23 -6.730 -10.185 12.047 1.00 0.00 C ATOM 340 O THR A 23 -5.877 -9.342 11.756 1.00 0.00 O ATOM 341 CB THR A 23 -6.200 -12.315 13.270 1.00 0.00 C ATOM 342 OG1 THR A 23 -5.021 -11.757 13.875 1.00 0.00 O ATOM 343 CG2 THR A 23 -6.044 -13.820 13.156 1.00 0.00 C ATOM 0 H THR A 23 -4.382 -11.745 11.542 1.00 0.00 H new ATOM 0 HA THR A 23 -7.271 -12.176 11.407 1.00 0.00 H new ATOM 0 HB THR A 23 -7.071 -12.102 13.890 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.225 -12.099 13.417 1.00 0.00 H new ATOM 0 HG21 THR A 23 -5.885 -14.245 14.147 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.946 -14.247 12.718 1.00 0.00 H new ATOM 0 HG23 THR A 23 -5.188 -14.050 12.521 1.00 0.00 H new ATOM 351 N ASP A 24 -7.922 -9.867 12.540 1.00 0.00 N ATOM 352 CA ASP A 24 -8.359 -8.483 12.724 1.00 0.00 C ATOM 353 C ASP A 24 -7.402 -7.719 13.623 1.00 0.00 C ATOM 354 O ASP A 24 -7.105 -6.553 13.377 1.00 0.00 O ATOM 355 CB ASP A 24 -9.746 -8.460 13.361 1.00 0.00 C ATOM 356 CG ASP A 24 -10.800 -9.110 12.502 1.00 0.00 C ATOM 357 OD1 ASP A 24 -11.095 -8.580 11.421 1.00 0.00 O ATOM 358 OD2 ASP A 24 -11.335 -10.167 12.912 1.00 0.00 O ATOM 0 H ASP A 24 -8.615 -10.560 12.824 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.381 -8.008 11.743 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.706 -8.969 14.324 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.032 -7.427 13.558 1.00 0.00 H new ATOM 363 N VAL A 25 -6.916 -8.383 14.657 1.00 0.00 N ATOM 364 CA VAL A 25 -6.002 -7.765 15.609 1.00 0.00 C ATOM 365 C VAL A 25 -4.682 -7.394 14.931 1.00 0.00 C ATOM 366 O VAL A 25 -4.152 -6.301 15.134 1.00 0.00 O ATOM 367 CB VAL A 25 -5.730 -8.703 16.804 1.00 0.00 C ATOM 368 CG1 VAL A 25 -4.656 -8.131 17.718 1.00 0.00 C ATOM 369 CG2 VAL A 25 -7.011 -8.957 17.579 1.00 0.00 C ATOM 0 H VAL A 25 -7.139 -9.357 14.862 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.476 -6.856 15.980 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.365 -9.652 16.413 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.486 -8.813 18.551 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.730 -8.005 17.157 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -4.982 -7.164 18.102 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.803 -9.620 18.419 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.404 -8.011 17.952 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.747 -9.422 16.923 1.00 0.00 H new ATOM 379 N GLU A 26 -4.179 -8.303 14.096 1.00 0.00 N ATOM 380 CA GLU A 26 -2.922 -8.083 13.385 1.00 0.00 C ATOM 381 C GLU A 26 -3.091 -6.942 12.421 1.00 0.00 C ATOM 382 O GLU A 26 -2.217 -6.094 12.269 1.00 0.00 O ATOM 383 CB GLU A 26 -2.523 -9.339 12.625 1.00 0.00 C ATOM 384 CG GLU A 26 -2.120 -10.486 13.519 1.00 0.00 C ATOM 385 CD GLU A 26 -1.840 -11.732 12.734 1.00 0.00 C ATOM 386 OE1 GLU A 26 -0.649 -12.051 12.516 1.00 0.00 O ATOM 387 OE2 GLU A 26 -2.813 -12.399 12.328 1.00 0.00 O ATOM 0 H GLU A 26 -4.624 -9.199 13.896 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.140 -7.844 14.105 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.357 -9.654 11.998 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.695 -9.102 11.958 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.233 -10.208 14.089 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.914 -10.681 14.240 1.00 0.00 H new ATOM 394 N ILE A 27 -4.232 -6.934 11.793 1.00 0.00 N ATOM 395 CA ILE A 27 -4.605 -5.924 10.845 1.00 0.00 C ATOM 396 C ILE A 27 -4.703 -4.553 11.514 1.00 0.00 C ATOM 397 O ILE A 27 -4.172 -3.562 11.008 1.00 0.00 O ATOM 398 CB ILE A 27 -5.947 -6.313 10.177 1.00 0.00 C ATOM 399 CG1 ILE A 27 -5.724 -7.531 9.268 1.00 0.00 C ATOM 400 CG2 ILE A 27 -6.532 -5.144 9.390 1.00 0.00 C ATOM 401 CD1 ILE A 27 -6.997 -8.178 8.780 1.00 0.00 C ATOM 0 H ILE A 27 -4.947 -7.648 11.930 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.834 -5.857 10.078 1.00 0.00 H new ATOM 0 HB ILE A 27 -6.668 -6.570 10.953 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -5.132 -7.224 8.406 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -5.137 -8.273 9.810 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -7.474 -5.448 8.933 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -6.710 -4.305 10.063 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -5.831 -4.843 8.611 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -6.752 -9.029 8.145 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -7.582 -8.519 9.634 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -7.577 -7.454 8.208 1.00 0.00 H new ATOM 413 N LYS A 28 -5.367 -4.508 12.657 1.00 0.00 N ATOM 414 CA LYS A 28 -5.545 -3.288 13.384 1.00 0.00 C ATOM 415 C LYS A 28 -4.226 -2.725 13.898 1.00 0.00 C ATOM 416 O LYS A 28 -3.972 -1.523 13.789 1.00 0.00 O ATOM 417 CB LYS A 28 -6.515 -3.504 14.531 1.00 0.00 C ATOM 418 CG LYS A 28 -6.807 -2.248 15.302 1.00 0.00 C ATOM 419 CD LYS A 28 -7.742 -2.505 16.466 1.00 0.00 C ATOM 420 CE LYS A 28 -9.127 -2.919 15.989 1.00 0.00 C ATOM 421 NZ LYS A 28 -10.064 -3.129 17.117 1.00 0.00 N ATOM 0 H LYS A 28 -5.793 -5.323 13.097 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.958 -2.552 12.695 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.448 -3.907 14.138 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.105 -4.252 15.209 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.874 -1.824 15.673 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.251 -1.508 14.636 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.326 -3.287 17.102 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.820 -1.605 17.077 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.526 -2.152 15.325 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.050 -3.837 15.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.995 -3.410 16.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.698 -3.879 17.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.158 -2.246 17.659 1.00 0.00 H new ATOM 435 N LYS A 29 -3.389 -3.580 14.459 1.00 0.00 N ATOM 436 CA LYS A 29 -2.132 -3.120 14.991 1.00 0.00 C ATOM 437 C LYS A 29 -1.179 -2.693 13.881 1.00 0.00 C ATOM 438 O LYS A 29 -0.376 -1.784 14.052 1.00 0.00 O ATOM 439 CB LYS A 29 -1.492 -4.136 15.939 1.00 0.00 C ATOM 440 CG LYS A 29 -1.123 -5.463 15.318 1.00 0.00 C ATOM 441 CD LYS A 29 -0.439 -6.350 16.356 1.00 0.00 C ATOM 442 CE LYS A 29 -0.010 -7.688 15.786 1.00 0.00 C ATOM 443 NZ LYS A 29 0.688 -8.517 16.800 1.00 0.00 N ATOM 0 H LYS A 29 -3.559 -4.581 14.554 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.347 -2.236 15.592 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.593 -3.692 16.366 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.180 -4.320 16.765 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.017 -5.957 14.937 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -0.459 -5.305 14.468 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.434 -5.832 16.753 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.119 -6.516 17.192 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -0.885 -8.224 15.417 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.648 -7.526 14.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 0.967 -9.424 16.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.536 -8.016 17.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.051 -8.692 17.603 1.00 0.00 H new ATOM 457 N ALA A 30 -1.268 -3.360 12.755 1.00 0.00 N ATOM 458 CA ALA A 30 -0.514 -2.988 11.584 1.00 0.00 C ATOM 459 C ALA A 30 -0.945 -1.624 11.118 1.00 0.00 C ATOM 460 O ALA A 30 -0.124 -0.797 10.731 1.00 0.00 O ATOM 461 CB ALA A 30 -0.709 -4.003 10.489 1.00 0.00 C ATOM 0 H ALA A 30 -1.866 -4.176 12.626 1.00 0.00 H new ATOM 0 HA ALA A 30 0.546 -2.959 11.838 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.133 -3.707 9.612 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.370 -4.980 10.834 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.766 -4.058 10.228 1.00 0.00 H new ATOM 467 N TYR A 31 -2.250 -1.391 11.171 1.00 0.00 N ATOM 468 CA TYR A 31 -2.805 -0.110 10.828 1.00 0.00 C ATOM 469 C TYR A 31 -2.288 0.958 11.761 1.00 0.00 C ATOM 470 O TYR A 31 -1.822 2.007 11.311 1.00 0.00 O ATOM 471 CB TYR A 31 -4.335 -0.149 10.864 1.00 0.00 C ATOM 472 CG TYR A 31 -4.978 1.222 10.791 1.00 0.00 C ATOM 473 CD1 TYR A 31 -4.967 1.966 9.620 1.00 0.00 C ATOM 474 CD2 TYR A 31 -5.588 1.774 11.912 1.00 0.00 C ATOM 475 CE1 TYR A 31 -5.543 3.223 9.570 1.00 0.00 C ATOM 476 CE2 TYR A 31 -6.168 3.023 11.868 1.00 0.00 C ATOM 477 CZ TYR A 31 -6.142 3.744 10.697 1.00 0.00 C ATOM 478 OH TYR A 31 -6.711 4.999 10.657 1.00 0.00 O ATOM 0 H TYR A 31 -2.941 -2.087 11.452 1.00 0.00 H new ATOM 0 HA TYR A 31 -2.492 0.131 9.812 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -4.695 -0.755 10.032 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -4.656 -0.644 11.781 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -4.502 1.558 8.735 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -5.608 1.213 12.835 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -5.523 3.793 8.653 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -6.640 3.434 12.748 1.00 0.00 H new ATOM 0 HH TYR A 31 -7.090 5.214 11.535 1.00 0.00 H new ATOM 488 N ARG A 32 -2.358 0.691 13.072 1.00 0.00 N ATOM 489 CA ARG A 32 -1.912 1.677 14.030 1.00 0.00 C ATOM 490 C ARG A 32 -0.425 1.945 13.865 1.00 0.00 C ATOM 491 O ARG A 32 -0.013 3.082 13.878 1.00 0.00 O ATOM 492 CB ARG A 32 -2.206 1.281 15.487 1.00 0.00 C ATOM 493 CG ARG A 32 -1.332 0.164 16.005 1.00 0.00 C ATOM 494 CD ARG A 32 -1.541 -0.090 17.482 1.00 0.00 C ATOM 495 NE ARG A 32 -0.641 -1.137 17.978 1.00 0.00 N ATOM 496 CZ ARG A 32 -0.495 -1.472 19.263 1.00 0.00 C ATOM 497 NH1 ARG A 32 -1.223 -0.878 20.201 1.00 0.00 N ATOM 498 NH2 ARG A 32 0.378 -2.415 19.607 1.00 0.00 N ATOM 0 H ARG A 32 -2.711 -0.178 13.473 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.480 2.583 13.821 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -2.077 2.156 16.124 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.250 0.979 15.568 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -1.544 -0.749 15.448 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -0.286 0.411 15.825 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.371 0.832 18.039 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -2.576 -0.383 17.659 1.00 0.00 H new ATOM 0 HE ARG A 32 -0.086 -1.647 17.291 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -1.900 -0.160 19.943 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -1.105 -1.140 21.180 1.00 0.00 H new ATOM 0 HH21 ARG A 32 0.934 -2.881 18.890 1.00 0.00 H new ATOM 0 HH22 ARG A 32 0.491 -2.672 20.588 1.00 0.00 H new ATOM 512 N LYS A 33 0.385 0.892 13.668 1.00 0.00 N ATOM 513 CA LYS A 33 1.818 1.112 13.543 1.00 0.00 C ATOM 514 C LYS A 33 2.131 1.828 12.258 1.00 0.00 C ATOM 515 O LYS A 33 2.906 2.749 12.259 1.00 0.00 O ATOM 516 CB LYS A 33 2.646 -0.185 13.662 1.00 0.00 C ATOM 517 CG LYS A 33 2.552 -1.116 12.473 1.00 0.00 C ATOM 518 CD LYS A 33 3.413 -2.351 12.673 1.00 0.00 C ATOM 519 CE LYS A 33 3.342 -3.288 11.475 1.00 0.00 C ATOM 520 NZ LYS A 33 4.215 -4.476 11.654 1.00 0.00 N ATOM 0 H LYS A 33 0.081 -0.079 13.595 1.00 0.00 H new ATOM 0 HA LYS A 33 2.110 1.740 14.385 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.692 0.082 13.813 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.323 -0.724 14.553 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.514 -1.413 12.322 1.00 0.00 H new ATOM 0 HG3 LYS A 33 2.868 -0.591 11.571 1.00 0.00 H new ATOM 0 HD2 LYS A 33 4.447 -2.050 12.839 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.087 -2.880 13.569 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.312 -3.612 11.327 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.639 -2.750 10.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.140 -5.091 10.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.201 -4.168 11.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.915 -5.003 12.499 1.00 0.00 H new ATOM 534 N CYS A 34 1.486 1.446 11.169 1.00 0.00 N ATOM 535 CA CYS A 34 1.753 2.101 9.899 1.00 0.00 C ATOM 536 C CYS A 34 1.410 3.584 9.991 1.00 0.00 C ATOM 537 O CYS A 34 2.212 4.446 9.609 1.00 0.00 O ATOM 538 CB CYS A 34 0.978 1.441 8.758 1.00 0.00 C ATOM 539 SG CYS A 34 1.331 2.141 7.122 1.00 0.00 S ATOM 0 H CYS A 34 0.789 0.702 11.136 1.00 0.00 H new ATOM 0 HA CYS A 34 2.816 1.996 9.681 1.00 0.00 H new ATOM 0 HB2 CYS A 34 1.210 0.376 8.744 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.090 1.532 8.958 1.00 0.00 H new ATOM 0 HG CYS A 34 0.989 1.288 6.202 1.00 0.00 H new ATOM 545 N ALA A 35 0.226 3.876 10.518 1.00 0.00 N ATOM 546 CA ALA A 35 -0.219 5.247 10.683 1.00 0.00 C ATOM 547 C ALA A 35 0.670 6.016 11.664 1.00 0.00 C ATOM 548 O ALA A 35 1.078 7.122 11.389 1.00 0.00 O ATOM 549 CB ALA A 35 -1.663 5.275 11.155 1.00 0.00 C ATOM 0 H ALA A 35 -0.442 3.175 10.838 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.146 5.738 9.713 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.986 6.309 11.275 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -2.296 4.780 10.419 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.744 4.756 12.110 1.00 0.00 H new ATOM 555 N LEU A 36 0.973 5.405 12.802 1.00 0.00 N ATOM 556 CA LEU A 36 1.804 6.042 13.821 1.00 0.00 C ATOM 557 C LEU A 36 3.229 6.272 13.333 1.00 0.00 C ATOM 558 O LEU A 36 3.840 7.290 13.630 1.00 0.00 O ATOM 559 CB LEU A 36 1.821 5.216 15.108 1.00 0.00 C ATOM 560 CG LEU A 36 0.498 5.148 15.883 1.00 0.00 C ATOM 561 CD1 LEU A 36 0.617 4.195 17.055 1.00 0.00 C ATOM 562 CD2 LEU A 36 0.083 6.531 16.355 1.00 0.00 C ATOM 0 H LEU A 36 0.656 4.467 13.045 1.00 0.00 H new ATOM 0 HA LEU A 36 1.359 7.015 14.029 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.126 4.199 14.859 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.585 5.625 15.769 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.274 4.771 15.213 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.330 4.160 17.593 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.864 3.198 16.690 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.403 4.541 17.727 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.857 6.462 16.902 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.854 6.939 17.008 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.046 7.186 15.493 1.00 0.00 H new ATOM 574 N LYS A 37 3.754 5.315 12.611 1.00 0.00 N ATOM 575 CA LYS A 37 5.108 5.392 12.087 1.00 0.00 C ATOM 576 C LYS A 37 5.249 6.463 10.993 1.00 0.00 C ATOM 577 O LYS A 37 6.235 7.193 10.964 1.00 0.00 O ATOM 578 CB LYS A 37 5.524 4.014 11.540 1.00 0.00 C ATOM 579 CG LYS A 37 5.748 2.954 12.624 1.00 0.00 C ATOM 580 CD LYS A 37 5.794 1.545 12.040 1.00 0.00 C ATOM 581 CE LYS A 37 6.984 1.336 11.108 1.00 0.00 C ATOM 582 NZ LYS A 37 8.280 1.395 11.825 1.00 0.00 N ATOM 0 H LYS A 37 3.260 4.457 12.366 1.00 0.00 H new ATOM 0 HA LYS A 37 5.767 5.683 12.905 1.00 0.00 H new ATOM 0 HB2 LYS A 37 4.755 3.660 10.854 1.00 0.00 H new ATOM 0 HB3 LYS A 37 6.441 4.126 10.961 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.682 3.161 13.147 1.00 0.00 H new ATOM 0 HG3 LYS A 37 4.949 3.015 13.362 1.00 0.00 H new ATOM 0 HD2 LYS A 37 5.842 0.820 12.853 1.00 0.00 H new ATOM 0 HD3 LYS A 37 4.871 1.351 11.494 1.00 0.00 H new ATOM 0 HE2 LYS A 37 6.889 0.369 10.613 1.00 0.00 H new ATOM 0 HE3 LYS A 37 6.969 2.097 10.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 9.046 1.115 11.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 8.447 2.365 12.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 8.257 0.747 12.638 1.00 0.00 H new ATOM 596 N TYR A 38 4.255 6.549 10.101 1.00 0.00 N ATOM 597 CA TYR A 38 4.322 7.459 8.947 1.00 0.00 C ATOM 598 C TYR A 38 3.303 8.602 8.978 1.00 0.00 C ATOM 599 O TYR A 38 3.038 9.224 7.958 1.00 0.00 O ATOM 600 CB TYR A 38 4.203 6.635 7.670 1.00 0.00 C ATOM 601 CG TYR A 38 5.396 5.726 7.476 1.00 0.00 C ATOM 602 CD1 TYR A 38 5.412 4.445 8.013 1.00 0.00 C ATOM 603 CD2 TYR A 38 6.519 6.159 6.780 1.00 0.00 C ATOM 604 CE1 TYR A 38 6.509 3.621 7.862 1.00 0.00 C ATOM 605 CE2 TYR A 38 7.618 5.338 6.621 1.00 0.00 C ATOM 606 CZ TYR A 38 7.608 4.070 7.165 1.00 0.00 C ATOM 607 OH TYR A 38 8.703 3.252 7.013 1.00 0.00 O ATOM 0 H TYR A 38 3.396 6.002 10.154 1.00 0.00 H new ATOM 0 HA TYR A 38 5.287 7.964 8.987 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.292 6.037 7.707 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.112 7.303 6.813 1.00 0.00 H new ATOM 0 HD1 TYR A 38 4.551 4.088 8.558 1.00 0.00 H new ATOM 0 HD2 TYR A 38 6.532 7.153 6.357 1.00 0.00 H new ATOM 0 HE1 TYR A 38 6.505 2.629 8.289 1.00 0.00 H new ATOM 0 HE2 TYR A 38 8.481 5.687 6.073 1.00 0.00 H new ATOM 0 HH TYR A 38 9.391 3.720 6.495 1.00 0.00 H new ATOM 617 N HIS A 39 2.748 8.872 10.137 1.00 0.00 N ATOM 618 CA HIS A 39 1.792 9.978 10.297 1.00 0.00 C ATOM 619 C HIS A 39 2.414 11.342 9.933 1.00 0.00 C ATOM 620 O HIS A 39 3.562 11.614 10.265 1.00 0.00 O ATOM 621 CB HIS A 39 1.261 10.014 11.742 1.00 0.00 C ATOM 622 CG HIS A 39 2.325 10.172 12.798 1.00 0.00 C ATOM 623 ND1 HIS A 39 2.042 10.488 14.110 1.00 0.00 N ATOM 624 CD2 HIS A 39 3.676 10.019 12.738 1.00 0.00 C ATOM 625 CE1 HIS A 39 3.167 10.519 14.805 1.00 0.00 C ATOM 626 NE2 HIS A 39 4.164 10.237 13.996 1.00 0.00 N ATOM 0 H HIS A 39 2.933 8.348 10.993 1.00 0.00 H new ATOM 0 HA HIS A 39 0.968 9.797 9.607 1.00 0.00 H new ATOM 0 HB2 HIS A 39 0.551 10.836 11.834 1.00 0.00 H new ATOM 0 HB3 HIS A 39 0.709 9.094 11.935 1.00 0.00 H new ATOM 0 HD1 HIS A 39 1.111 10.669 14.486 1.00 0.00 H new ATOM 0 HD2 HIS A 39 4.255 9.772 11.860 1.00 0.00 H new ATOM 0 HE1 HIS A 39 3.252 10.739 15.859 1.00 0.00 H new ATOM 634 N PRO A 40 1.628 12.224 9.279 1.00 0.00 N ATOM 635 CA PRO A 40 2.088 13.567 8.845 1.00 0.00 C ATOM 636 C PRO A 40 2.606 14.430 9.997 1.00 0.00 C ATOM 637 O PRO A 40 3.460 15.288 9.800 1.00 0.00 O ATOM 638 CB PRO A 40 0.824 14.192 8.245 1.00 0.00 C ATOM 639 CG PRO A 40 0.010 13.025 7.818 1.00 0.00 C ATOM 640 CD PRO A 40 0.230 11.981 8.869 1.00 0.00 C ATOM 0 HA PRO A 40 2.929 13.496 8.155 1.00 0.00 H new ATOM 0 HB2 PRO A 40 0.294 14.801 8.978 1.00 0.00 H new ATOM 0 HB3 PRO A 40 1.062 14.842 7.403 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.045 13.289 7.741 1.00 0.00 H new ATOM 0 HG3 PRO A 40 0.321 12.667 6.837 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -0.462 12.094 9.703 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.093 10.974 8.475 1.00 0.00 H new ATOM 648 N ASP A 41 2.097 14.180 11.202 1.00 0.00 N ATOM 649 CA ASP A 41 2.469 14.961 12.397 1.00 0.00 C ATOM 650 C ASP A 41 3.952 14.858 12.729 1.00 0.00 C ATOM 651 O ASP A 41 4.502 15.730 13.393 1.00 0.00 O ATOM 652 CB ASP A 41 1.640 14.535 13.609 1.00 0.00 C ATOM 653 CG ASP A 41 0.199 14.968 13.514 1.00 0.00 C ATOM 654 OD1 ASP A 41 -0.069 16.182 13.630 1.00 0.00 O ATOM 655 OD2 ASP A 41 -0.677 14.103 13.327 1.00 0.00 O ATOM 0 H ASP A 41 1.421 13.439 11.385 1.00 0.00 H new ATOM 0 HA ASP A 41 2.256 16.003 12.158 1.00 0.00 H new ATOM 0 HB2 ASP A 41 1.683 13.450 13.709 1.00 0.00 H new ATOM 0 HB3 ASP A 41 2.082 14.956 14.512 1.00 0.00 H new ATOM 660 N LYS A 42 4.595 13.811 12.255 1.00 0.00 N ATOM 661 CA LYS A 42 6.014 13.606 12.535 1.00 0.00 C ATOM 662 C LYS A 42 6.766 13.235 11.270 1.00 0.00 C ATOM 663 O LYS A 42 7.988 13.374 11.195 1.00 0.00 O ATOM 664 CB LYS A 42 6.235 12.573 13.647 1.00 0.00 C ATOM 665 CG LYS A 42 5.612 12.965 14.989 1.00 0.00 C ATOM 666 CD LYS A 42 6.219 14.255 15.533 1.00 0.00 C ATOM 667 CE LYS A 42 5.601 14.642 16.869 1.00 0.00 C ATOM 668 NZ LYS A 42 6.160 15.916 17.390 1.00 0.00 N ATOM 0 H LYS A 42 4.167 13.088 11.676 1.00 0.00 H new ATOM 0 HA LYS A 42 6.417 14.551 12.900 1.00 0.00 H new ATOM 0 HB2 LYS A 42 5.819 11.617 13.330 1.00 0.00 H new ATOM 0 HB3 LYS A 42 7.306 12.424 13.784 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.536 13.091 14.869 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.760 12.160 15.709 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.295 14.130 15.651 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.069 15.061 14.814 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.521 14.739 16.755 1.00 0.00 H new ATOM 0 HE3 LYS A 42 5.775 13.846 17.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.713 16.144 18.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 7.187 15.816 17.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.972 16.681 16.711 1.00 0.00 H new ATOM 682 N ASN A 43 6.032 12.760 10.283 1.00 0.00 N ATOM 683 CA ASN A 43 6.590 12.439 8.989 1.00 0.00 C ATOM 684 C ASN A 43 6.071 13.433 7.961 1.00 0.00 C ATOM 685 O ASN A 43 4.909 13.376 7.566 1.00 0.00 O ATOM 686 CB ASN A 43 6.229 11.010 8.569 1.00 0.00 C ATOM 687 CG ASN A 43 6.806 9.947 9.482 1.00 0.00 C ATOM 688 OD1 ASN A 43 6.901 10.123 10.699 1.00 0.00 O ATOM 689 ND2 ASN A 43 7.223 8.845 8.895 1.00 0.00 N ATOM 0 H ASN A 43 5.030 12.586 10.358 1.00 0.00 H new ATOM 0 HA ASN A 43 7.676 12.503 9.050 1.00 0.00 H new ATOM 0 HB2 ASN A 43 5.144 10.909 8.548 1.00 0.00 H new ATOM 0 HB3 ASN A 43 6.585 10.837 7.553 1.00 0.00 H new ATOM 0 HD21 ASN A 43 7.642 8.099 9.450 1.00 0.00 H new ATOM 0 HD22 ASN A 43 7.127 8.737 7.885 1.00 0.00 H new ATOM 696 N PRO A 44 6.923 14.369 7.532 1.00 0.00 N ATOM 697 CA PRO A 44 6.540 15.427 6.590 1.00 0.00 C ATOM 698 C PRO A 44 6.448 14.950 5.141 1.00 0.00 C ATOM 699 O PRO A 44 5.990 15.690 4.267 1.00 0.00 O ATOM 700 CB PRO A 44 7.667 16.443 6.745 1.00 0.00 C ATOM 701 CG PRO A 44 8.856 15.618 7.092 1.00 0.00 C ATOM 702 CD PRO A 44 8.340 14.482 7.935 1.00 0.00 C ATOM 0 HA PRO A 44 5.545 15.816 6.807 1.00 0.00 H new ATOM 0 HB2 PRO A 44 7.827 17.004 5.824 1.00 0.00 H new ATOM 0 HB3 PRO A 44 7.444 17.169 7.527 1.00 0.00 H new ATOM 0 HG2 PRO A 44 9.348 15.245 6.194 1.00 0.00 H new ATOM 0 HG3 PRO A 44 9.593 16.206 7.639 1.00 0.00 H new ATOM 0 HD2 PRO A 44 8.887 13.559 7.743 1.00 0.00 H new ATOM 0 HD3 PRO A 44 8.439 14.695 8.999 1.00 0.00 H new ATOM 710 N SER A 45 6.892 13.734 4.887 1.00 0.00 N ATOM 711 CA SER A 45 6.913 13.195 3.556 1.00 0.00 C ATOM 712 C SER A 45 5.534 12.875 3.020 1.00 0.00 C ATOM 713 O SER A 45 4.677 12.332 3.724 1.00 0.00 O ATOM 714 CB SER A 45 7.797 11.965 3.521 1.00 0.00 C ATOM 715 OG SER A 45 7.675 11.224 4.719 1.00 0.00 O ATOM 0 H SER A 45 7.246 13.099 5.602 1.00 0.00 H new ATOM 0 HA SER A 45 7.320 13.966 2.902 1.00 0.00 H new ATOM 0 HB2 SER A 45 7.523 11.339 2.672 1.00 0.00 H new ATOM 0 HB3 SER A 45 8.836 12.262 3.376 1.00 0.00 H new ATOM 0 HG SER A 45 8.252 10.433 4.675 1.00 0.00 H new ATOM 721 N GLU A 46 5.340 13.213 1.754 1.00 0.00 N ATOM 722 CA GLU A 46 4.105 12.914 1.054 1.00 0.00 C ATOM 723 C GLU A 46 3.899 11.418 1.017 1.00 0.00 C ATOM 724 O GLU A 46 2.808 10.936 1.215 1.00 0.00 O ATOM 725 CB GLU A 46 4.156 13.448 -0.372 1.00 0.00 C ATOM 726 CG GLU A 46 4.144 14.955 -0.486 1.00 0.00 C ATOM 727 CD GLU A 46 4.259 15.413 -1.919 1.00 0.00 C ATOM 728 OE1 GLU A 46 3.239 15.836 -2.498 1.00 0.00 O ATOM 729 OE2 GLU A 46 5.371 15.346 -2.477 1.00 0.00 O ATOM 0 H GLU A 46 6.033 13.701 1.187 1.00 0.00 H new ATOM 0 HA GLU A 46 3.280 13.392 1.581 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.056 13.068 -0.855 1.00 0.00 H new ATOM 0 HB3 GLU A 46 3.305 13.049 -0.925 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.222 15.344 -0.054 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.968 15.369 0.095 1.00 0.00 H new ATOM 736 N GLU A 47 4.995 10.703 0.815 1.00 0.00 N ATOM 737 CA GLU A 47 5.003 9.248 0.740 1.00 0.00 C ATOM 738 C GLU A 47 4.457 8.659 2.022 1.00 0.00 C ATOM 739 O GLU A 47 3.692 7.701 2.003 1.00 0.00 O ATOM 740 CB GLU A 47 6.439 8.781 0.608 1.00 0.00 C ATOM 741 CG GLU A 47 7.124 9.126 -0.702 1.00 0.00 C ATOM 742 CD GLU A 47 6.486 8.467 -1.903 1.00 0.00 C ATOM 743 OE1 GLU A 47 6.253 7.250 -1.858 1.00 0.00 O ATOM 744 OE2 GLU A 47 6.239 9.158 -2.905 1.00 0.00 O ATOM 0 H GLU A 47 5.917 11.122 0.697 1.00 0.00 H new ATOM 0 HA GLU A 47 4.396 8.933 -0.109 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.019 9.212 1.425 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.463 7.699 0.736 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.108 10.207 -0.838 1.00 0.00 H new ATOM 0 HG3 GLU A 47 8.171 8.827 -0.646 1.00 0.00 H new ATOM 751 N ALA A 48 4.860 9.246 3.132 1.00 0.00 N ATOM 752 CA ALA A 48 4.426 8.781 4.439 1.00 0.00 C ATOM 753 C ALA A 48 2.938 8.924 4.563 1.00 0.00 C ATOM 754 O ALA A 48 2.235 8.027 5.039 1.00 0.00 O ATOM 755 CB ALA A 48 5.134 9.550 5.537 1.00 0.00 C ATOM 0 H ALA A 48 5.489 10.048 3.157 1.00 0.00 H new ATOM 0 HA ALA A 48 4.685 7.727 4.544 1.00 0.00 H new ATOM 0 HB1 ALA A 48 4.797 9.189 6.509 1.00 0.00 H new ATOM 0 HB2 ALA A 48 6.210 9.403 5.448 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.904 10.611 5.444 1.00 0.00 H new ATOM 761 N ALA A 49 2.474 10.042 4.105 1.00 0.00 N ATOM 762 CA ALA A 49 1.060 10.354 4.085 1.00 0.00 C ATOM 763 C ALA A 49 0.314 9.398 3.158 1.00 0.00 C ATOM 764 O ALA A 49 -0.807 8.970 3.449 1.00 0.00 O ATOM 765 CB ALA A 49 0.843 11.797 3.663 1.00 0.00 C ATOM 0 H ALA A 49 3.065 10.782 3.727 1.00 0.00 H new ATOM 0 HA ALA A 49 0.662 10.229 5.092 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -0.225 12.016 3.653 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.343 12.461 4.368 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.254 11.950 2.665 1.00 0.00 H new ATOM 771 N GLU A 50 0.942 9.084 2.029 1.00 0.00 N ATOM 772 CA GLU A 50 0.368 8.168 1.055 1.00 0.00 C ATOM 773 C GLU A 50 0.248 6.781 1.662 1.00 0.00 C ATOM 774 O GLU A 50 -0.748 6.088 1.470 1.00 0.00 O ATOM 775 CB GLU A 50 1.239 8.122 -0.195 1.00 0.00 C ATOM 776 CG GLU A 50 1.416 9.482 -0.823 1.00 0.00 C ATOM 777 CD GLU A 50 1.950 9.432 -2.229 1.00 0.00 C ATOM 778 OE1 GLU A 50 1.193 9.055 -3.143 1.00 0.00 O ATOM 779 OE2 GLU A 50 3.118 9.802 -2.437 1.00 0.00 O ATOM 0 H GLU A 50 1.855 9.455 1.767 1.00 0.00 H new ATOM 0 HA GLU A 50 -0.625 8.520 0.776 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.216 7.713 0.061 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.791 7.445 -0.922 1.00 0.00 H new ATOM 0 HG2 GLU A 50 0.456 9.999 -0.826 1.00 0.00 H new ATOM 0 HG3 GLU A 50 2.094 10.072 -0.207 1.00 0.00 H new ATOM 786 N LYS A 51 1.265 6.403 2.417 1.00 0.00 N ATOM 787 CA LYS A 51 1.279 5.127 3.130 1.00 0.00 C ATOM 788 C LYS A 51 0.144 5.076 4.126 1.00 0.00 C ATOM 789 O LYS A 51 -0.491 4.044 4.316 1.00 0.00 O ATOM 790 CB LYS A 51 2.589 4.949 3.867 1.00 0.00 C ATOM 791 CG LYS A 51 3.778 4.704 2.971 1.00 0.00 C ATOM 792 CD LYS A 51 5.052 4.642 3.782 1.00 0.00 C ATOM 793 CE LYS A 51 4.994 3.526 4.823 1.00 0.00 C ATOM 794 NZ LYS A 51 4.784 2.186 4.208 1.00 0.00 N ATOM 0 H LYS A 51 2.104 6.966 2.556 1.00 0.00 H new ATOM 0 HA LYS A 51 1.163 4.326 2.400 1.00 0.00 H new ATOM 0 HB2 LYS A 51 2.778 5.839 4.467 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.492 4.113 4.559 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.642 3.770 2.425 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.851 5.499 2.229 1.00 0.00 H new ATOM 0 HD2 LYS A 51 5.901 4.479 3.118 1.00 0.00 H new ATOM 0 HD3 LYS A 51 5.216 5.598 4.279 1.00 0.00 H new ATOM 0 HE2 LYS A 51 5.921 3.519 5.396 1.00 0.00 H new ATOM 0 HE3 LYS A 51 4.187 3.730 5.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.903 1.449 4.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.823 2.132 3.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 5.479 2.040 3.448 1.00 0.00 H new ATOM 808 N PHE A 52 -0.090 6.201 4.769 1.00 0.00 N ATOM 809 CA PHE A 52 -1.180 6.341 5.705 1.00 0.00 C ATOM 810 C PHE A 52 -2.511 6.046 5.001 1.00 0.00 C ATOM 811 O PHE A 52 -3.357 5.307 5.517 1.00 0.00 O ATOM 812 CB PHE A 52 -1.178 7.749 6.312 1.00 0.00 C ATOM 813 CG PHE A 52 -2.354 8.023 7.211 1.00 0.00 C ATOM 814 CD1 PHE A 52 -2.380 7.551 8.509 1.00 0.00 C ATOM 815 CD2 PHE A 52 -3.441 8.749 6.746 1.00 0.00 C ATOM 816 CE1 PHE A 52 -3.465 7.795 9.329 1.00 0.00 C ATOM 817 CE2 PHE A 52 -4.526 8.996 7.560 1.00 0.00 C ATOM 818 CZ PHE A 52 -4.538 8.518 8.853 1.00 0.00 C ATOM 0 H PHE A 52 0.473 7.044 4.655 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.053 5.624 6.516 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.258 7.889 6.880 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.170 8.482 5.506 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.542 6.984 8.887 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.437 9.125 5.734 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.472 7.420 10.342 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.365 9.563 7.185 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.387 8.710 9.492 1.00 0.00 H new ATOM 828 N LYS A 53 -2.684 6.626 3.822 1.00 0.00 N ATOM 829 CA LYS A 53 -3.884 6.412 3.022 1.00 0.00 C ATOM 830 C LYS A 53 -4.026 4.938 2.635 1.00 0.00 C ATOM 831 O LYS A 53 -5.120 4.377 2.677 1.00 0.00 O ATOM 832 CB LYS A 53 -3.830 7.271 1.758 1.00 0.00 C ATOM 833 CG LYS A 53 -3.963 8.765 2.010 1.00 0.00 C ATOM 834 CD LYS A 53 -5.339 9.128 2.554 1.00 0.00 C ATOM 835 CE LYS A 53 -6.431 8.858 1.528 1.00 0.00 C ATOM 836 NZ LYS A 53 -7.768 9.269 2.018 1.00 0.00 N ATOM 0 H LYS A 53 -2.003 7.254 3.394 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.748 6.699 3.621 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.886 7.084 1.246 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -4.627 6.956 1.084 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.197 9.084 2.717 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.785 9.307 1.081 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.537 8.553 3.459 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.354 10.181 2.836 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.203 9.393 0.606 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.445 7.796 1.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -8.482 9.068 1.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -7.998 8.740 2.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -7.763 10.288 2.226 1.00 0.00 H new ATOM 850 N GLU A 54 -2.918 4.318 2.274 1.00 0.00 N ATOM 851 CA GLU A 54 -2.915 2.913 1.892 1.00 0.00 C ATOM 852 C GLU A 54 -3.264 2.030 3.078 1.00 0.00 C ATOM 853 O GLU A 54 -4.043 1.082 2.961 1.00 0.00 O ATOM 854 CB GLU A 54 -1.544 2.543 1.365 1.00 0.00 C ATOM 855 CG GLU A 54 -1.221 3.200 0.050 1.00 0.00 C ATOM 856 CD GLU A 54 0.221 3.014 -0.362 1.00 0.00 C ATOM 857 OE1 GLU A 54 0.517 3.158 -1.562 1.00 0.00 O ATOM 858 OE2 GLU A 54 1.069 2.737 0.514 1.00 0.00 O ATOM 0 H GLU A 54 -2.002 4.766 2.236 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.666 2.758 1.117 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.790 2.825 2.100 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.486 1.461 1.248 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.870 2.791 -0.724 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.439 4.266 0.119 1.00 0.00 H new ATOM 865 N ALA A 55 -2.697 2.366 4.230 1.00 0.00 N ATOM 866 CA ALA A 55 -2.923 1.618 5.450 1.00 0.00 C ATOM 867 C ALA A 55 -4.368 1.715 5.873 1.00 0.00 C ATOM 868 O ALA A 55 -4.972 0.732 6.299 1.00 0.00 O ATOM 869 CB ALA A 55 -2.020 2.129 6.558 1.00 0.00 C ATOM 0 H ALA A 55 -2.070 3.163 4.340 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.687 0.571 5.258 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.201 1.557 7.468 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -0.978 2.015 6.260 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -2.231 3.182 6.743 1.00 0.00 H new ATOM 875 N SER A 56 -4.922 2.906 5.746 1.00 0.00 N ATOM 876 CA SER A 56 -6.275 3.139 6.132 1.00 0.00 C ATOM 877 C SER A 56 -7.260 2.408 5.214 1.00 0.00 C ATOM 878 O SER A 56 -8.220 1.821 5.695 1.00 0.00 O ATOM 879 CB SER A 56 -6.555 4.646 6.216 1.00 0.00 C ATOM 880 OG SER A 56 -6.273 5.290 4.994 1.00 0.00 O ATOM 0 H SER A 56 -4.440 3.724 5.374 1.00 0.00 H new ATOM 0 HA SER A 56 -6.426 2.722 7.128 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.599 4.809 6.483 1.00 0.00 H new ATOM 0 HB3 SER A 56 -5.951 5.086 7.009 1.00 0.00 H new ATOM 0 HG SER A 56 -5.895 4.643 4.363 1.00 0.00 H new ATOM 886 N ALA A 57 -6.998 2.411 3.897 1.00 0.00 N ATOM 887 CA ALA A 57 -7.869 1.701 2.944 1.00 0.00 C ATOM 888 C ALA A 57 -7.797 0.193 3.173 1.00 0.00 C ATOM 889 O ALA A 57 -8.816 -0.523 3.131 1.00 0.00 O ATOM 890 CB ALA A 57 -7.488 2.045 1.511 1.00 0.00 C ATOM 0 H ALA A 57 -6.203 2.889 3.472 1.00 0.00 H new ATOM 0 HA ALA A 57 -8.896 2.024 3.111 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -8.143 1.511 0.822 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -7.594 3.118 1.354 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -6.454 1.752 1.329 1.00 0.00 H new ATOM 896 N ALA A 58 -6.588 -0.277 3.433 1.00 0.00 N ATOM 897 CA ALA A 58 -6.351 -1.671 3.714 1.00 0.00 C ATOM 898 C ALA A 58 -7.120 -2.058 4.940 1.00 0.00 C ATOM 899 O ALA A 58 -7.793 -3.062 4.960 1.00 0.00 O ATOM 900 CB ALA A 58 -4.867 -1.920 3.927 1.00 0.00 C ATOM 0 H ALA A 58 -5.748 0.302 3.454 1.00 0.00 H new ATOM 0 HA ALA A 58 -6.682 -2.274 2.869 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.702 -2.977 4.138 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.318 -1.640 3.028 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.515 -1.322 4.768 1.00 0.00 H new ATOM 906 N TYR A 59 -7.057 -1.205 5.940 1.00 0.00 N ATOM 907 CA TYR A 59 -7.792 -1.397 7.170 1.00 0.00 C ATOM 908 C TYR A 59 -9.284 -1.434 6.894 1.00 0.00 C ATOM 909 O TYR A 59 -10.001 -2.200 7.486 1.00 0.00 O ATOM 910 CB TYR A 59 -7.466 -0.283 8.165 1.00 0.00 C ATOM 911 CG TYR A 59 -8.149 -0.415 9.513 1.00 0.00 C ATOM 912 CD1 TYR A 59 -7.624 -1.236 10.502 1.00 0.00 C ATOM 913 CD2 TYR A 59 -9.312 0.290 9.799 1.00 0.00 C ATOM 914 CE1 TYR A 59 -8.237 -1.349 11.735 1.00 0.00 C ATOM 915 CE2 TYR A 59 -9.930 0.180 11.028 1.00 0.00 C ATOM 916 CZ TYR A 59 -9.388 -0.640 11.992 1.00 0.00 C ATOM 917 OH TYR A 59 -10.002 -0.753 13.219 1.00 0.00 O ATOM 0 H TYR A 59 -6.492 -0.356 5.922 1.00 0.00 H new ATOM 0 HA TYR A 59 -7.494 -2.351 7.605 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -6.387 -0.258 8.321 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -7.746 0.673 7.723 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -6.722 -1.795 10.304 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -9.740 0.935 9.046 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -7.815 -1.991 12.494 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -10.834 0.734 11.233 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.802 -0.187 13.238 1.00 0.00 H new ATOM 927 N GLU A 60 -9.734 -0.617 5.971 1.00 0.00 N ATOM 928 CA GLU A 60 -11.152 -0.516 5.678 1.00 0.00 C ATOM 929 C GLU A 60 -11.735 -1.862 5.241 1.00 0.00 C ATOM 930 O GLU A 60 -12.837 -2.226 5.656 1.00 0.00 O ATOM 931 CB GLU A 60 -11.403 0.527 4.591 1.00 0.00 C ATOM 932 CG GLU A 60 -11.098 1.941 5.027 1.00 0.00 C ATOM 933 CD GLU A 60 -11.870 2.349 6.259 1.00 0.00 C ATOM 934 OE1 GLU A 60 -13.116 2.348 6.213 1.00 0.00 O ATOM 935 OE2 GLU A 60 -11.240 2.664 7.280 1.00 0.00 O ATOM 0 H GLU A 60 -9.140 -0.009 5.406 1.00 0.00 H new ATOM 0 HA GLU A 60 -11.651 -0.209 6.597 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -10.794 0.285 3.720 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -12.445 0.469 4.278 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -10.030 2.034 5.225 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.332 2.627 4.213 1.00 0.00 H new ATOM 942 N ILE A 61 -11.009 -2.597 4.409 1.00 0.00 N ATOM 943 CA ILE A 61 -11.499 -3.903 3.967 1.00 0.00 C ATOM 944 C ILE A 61 -10.997 -5.020 4.856 1.00 0.00 C ATOM 945 O ILE A 61 -11.752 -5.879 5.267 1.00 0.00 O ATOM 946 CB ILE A 61 -11.139 -4.201 2.496 1.00 0.00 C ATOM 947 CG1 ILE A 61 -9.636 -4.056 2.251 1.00 0.00 C ATOM 948 CG2 ILE A 61 -11.932 -3.308 1.552 1.00 0.00 C ATOM 949 CD1 ILE A 61 -9.211 -4.516 0.887 1.00 0.00 C ATOM 0 H ILE A 61 -10.101 -2.324 4.032 1.00 0.00 H new ATOM 0 HA ILE A 61 -12.585 -3.856 4.044 1.00 0.00 H new ATOM 0 HB ILE A 61 -11.410 -5.237 2.291 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -9.353 -3.011 2.379 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -9.095 -4.628 3.005 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -11.661 -3.537 0.521 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -12.998 -3.484 1.694 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -11.705 -2.263 1.763 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -8.134 -4.386 0.778 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -9.464 -5.569 0.763 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -9.726 -3.927 0.128 1.00 0.00 H new ATOM 961 N LEU A 62 -9.723 -4.990 5.144 1.00 0.00 N ATOM 962 CA LEU A 62 -9.079 -6.018 5.941 1.00 0.00 C ATOM 963 C LEU A 62 -9.626 -6.089 7.368 1.00 0.00 C ATOM 964 O LEU A 62 -9.808 -7.176 7.908 1.00 0.00 O ATOM 965 CB LEU A 62 -7.577 -5.799 5.937 1.00 0.00 C ATOM 966 CG LEU A 62 -6.900 -5.915 4.565 1.00 0.00 C ATOM 967 CD1 LEU A 62 -5.403 -5.703 4.680 1.00 0.00 C ATOM 968 CD2 LEU A 62 -7.209 -7.248 3.906 1.00 0.00 C ATOM 0 H LEU A 62 -9.093 -4.250 4.834 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.304 -6.982 5.485 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.370 -4.809 6.343 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.119 -6.522 6.612 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.307 -5.129 3.929 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.946 -5.790 3.694 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.206 -4.710 5.084 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.979 -6.456 5.344 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -6.714 -7.298 2.936 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.849 -8.059 4.539 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -8.286 -7.345 3.769 1.00 0.00 H new ATOM 980 N SER A 63 -9.902 -4.938 7.971 1.00 0.00 N ATOM 981 CA SER A 63 -10.474 -4.901 9.325 1.00 0.00 C ATOM 982 C SER A 63 -11.901 -5.436 9.313 1.00 0.00 C ATOM 983 O SER A 63 -12.538 -5.571 10.360 1.00 0.00 O ATOM 984 CB SER A 63 -10.452 -3.484 9.903 1.00 0.00 C ATOM 985 OG SER A 63 -10.849 -3.471 11.269 1.00 0.00 O ATOM 0 H SER A 63 -9.743 -4.021 7.553 1.00 0.00 H new ATOM 0 HA SER A 63 -9.858 -5.536 9.962 1.00 0.00 H new ATOM 0 HB2 SER A 63 -9.449 -3.068 9.811 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.117 -2.843 9.324 1.00 0.00 H new ATOM 0 HG SER A 63 -10.446 -2.699 11.719 1.00 0.00 H new ATOM 991 N ASP A 64 -12.404 -5.717 8.129 1.00 0.00 N ATOM 992 CA ASP A 64 -13.705 -6.294 7.983 1.00 0.00 C ATOM 993 C ASP A 64 -13.494 -7.710 7.514 1.00 0.00 C ATOM 994 O ASP A 64 -13.156 -7.933 6.378 1.00 0.00 O ATOM 995 CB ASP A 64 -14.529 -5.540 6.955 1.00 0.00 C ATOM 996 CG ASP A 64 -15.980 -6.007 6.924 1.00 0.00 C ATOM 997 OD1 ASP A 64 -16.869 -5.217 7.299 1.00 0.00 O ATOM 998 OD2 ASP A 64 -16.237 -7.168 6.531 1.00 0.00 O ATOM 0 H ASP A 64 -11.917 -5.549 7.249 1.00 0.00 H new ATOM 0 HA ASP A 64 -14.245 -6.251 8.929 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -14.497 -4.474 7.178 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -14.085 -5.673 5.968 1.00 0.00 H new ATOM 1003 N PRO A 65 -13.685 -8.673 8.385 1.00 0.00 N ATOM 1004 CA PRO A 65 -13.392 -10.085 8.105 1.00 0.00 C ATOM 1005 C PRO A 65 -14.102 -10.611 6.879 1.00 0.00 C ATOM 1006 O PRO A 65 -13.588 -11.481 6.179 1.00 0.00 O ATOM 1007 CB PRO A 65 -13.890 -10.795 9.354 1.00 0.00 C ATOM 1008 CG PRO A 65 -13.837 -9.751 10.406 1.00 0.00 C ATOM 1009 CD PRO A 65 -14.211 -8.480 9.723 1.00 0.00 C ATOM 0 HA PRO A 65 -12.334 -10.240 7.892 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -14.903 -11.175 9.220 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -13.260 -11.648 9.606 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -14.527 -9.978 11.219 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -12.841 -9.684 10.843 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -15.290 -8.326 9.716 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -13.768 -7.612 10.211 1.00 0.00 H new ATOM 1017 N GLU A 66 -15.257 -10.063 6.596 1.00 0.00 N ATOM 1018 CA GLU A 66 -16.030 -10.532 5.484 1.00 0.00 C ATOM 1019 C GLU A 66 -15.554 -9.889 4.210 1.00 0.00 C ATOM 1020 O GLU A 66 -15.504 -10.529 3.171 1.00 0.00 O ATOM 1021 CB GLU A 66 -17.514 -10.316 5.719 1.00 0.00 C ATOM 1022 CG GLU A 66 -18.040 -11.121 6.894 1.00 0.00 C ATOM 1023 CD GLU A 66 -17.826 -12.610 6.713 1.00 0.00 C ATOM 1024 OE1 GLU A 66 -18.453 -13.195 5.812 1.00 0.00 O ATOM 1025 OE2 GLU A 66 -17.014 -13.198 7.460 1.00 0.00 O ATOM 0 H GLU A 66 -15.677 -9.296 7.120 1.00 0.00 H new ATOM 0 HA GLU A 66 -15.884 -11.607 5.383 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -17.700 -9.257 5.896 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -18.065 -10.590 4.819 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -17.544 -10.793 7.807 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -19.104 -10.922 7.021 1.00 0.00 H new ATOM 1032 N LYS A 67 -15.148 -8.627 4.302 1.00 0.00 N ATOM 1033 CA LYS A 67 -14.615 -7.927 3.165 1.00 0.00 C ATOM 1034 C LYS A 67 -13.272 -8.499 2.858 1.00 0.00 C ATOM 1035 O LYS A 67 -12.860 -8.591 1.725 1.00 0.00 O ATOM 1036 CB LYS A 67 -14.497 -6.452 3.471 1.00 0.00 C ATOM 1037 CG LYS A 67 -15.832 -5.731 3.610 1.00 0.00 C ATOM 1038 CD LYS A 67 -16.608 -5.734 2.302 1.00 0.00 C ATOM 1039 CE LYS A 67 -17.921 -4.976 2.433 1.00 0.00 C ATOM 1040 NZ LYS A 67 -18.693 -4.984 1.167 1.00 0.00 N ATOM 0 H LYS A 67 -15.183 -8.077 5.160 1.00 0.00 H new ATOM 0 HA LYS A 67 -15.277 -8.042 2.307 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.933 -6.329 4.396 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.920 -5.974 2.680 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -16.426 -6.211 4.388 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -15.660 -4.703 3.929 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -16.002 -5.282 1.517 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -16.808 -6.762 1.998 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -18.520 -5.423 3.226 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -17.718 -3.946 2.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -19.580 -4.457 1.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -18.132 -4.535 0.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -18.909 -5.965 0.898 1.00 0.00 H new ATOM 1054 N ARG A 68 -12.602 -8.858 3.915 1.00 0.00 N ATOM 1055 CA ARG A 68 -11.303 -9.449 3.889 1.00 0.00 C ATOM 1056 C ARG A 68 -11.372 -10.809 3.196 1.00 0.00 C ATOM 1057 O ARG A 68 -10.510 -11.140 2.402 1.00 0.00 O ATOM 1058 CB ARG A 68 -10.833 -9.591 5.340 1.00 0.00 C ATOM 1059 CG ARG A 68 -9.327 -9.719 5.539 1.00 0.00 C ATOM 1060 CD ARG A 68 -8.832 -11.123 5.252 1.00 0.00 C ATOM 1061 NE ARG A 68 -9.607 -12.137 5.966 1.00 0.00 N ATOM 1062 CZ ARG A 68 -9.499 -13.447 5.749 1.00 0.00 C ATOM 1063 NH1 ARG A 68 -8.603 -13.905 4.882 1.00 0.00 N ATOM 1064 NH2 ARG A 68 -10.282 -14.295 6.399 1.00 0.00 N ATOM 0 H ARG A 68 -12.967 -8.739 4.860 1.00 0.00 H new ATOM 0 HA ARG A 68 -10.598 -8.831 3.333 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -11.183 -8.725 5.902 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -11.314 -10.468 5.774 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -8.814 -9.013 4.886 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -9.073 -9.448 6.564 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -8.887 -11.314 4.180 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -7.783 -11.202 5.537 1.00 0.00 H new ATOM 0 HE ARG A 68 -10.271 -11.822 6.673 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -7.998 -13.254 4.382 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -8.520 -14.908 4.716 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -10.969 -13.945 7.067 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -10.198 -15.298 6.232 1.00 0.00 H new ATOM 1078 N ASP A 69 -12.420 -11.586 3.498 1.00 0.00 N ATOM 1079 CA ASP A 69 -12.616 -12.891 2.855 1.00 0.00 C ATOM 1080 C ASP A 69 -12.990 -12.715 1.415 1.00 0.00 C ATOM 1081 O ASP A 69 -12.537 -13.456 0.547 1.00 0.00 O ATOM 1082 CB ASP A 69 -13.668 -13.741 3.573 1.00 0.00 C ATOM 1083 CG ASP A 69 -13.069 -14.638 4.629 1.00 0.00 C ATOM 1084 OD1 ASP A 69 -12.273 -15.528 4.263 1.00 0.00 O ATOM 1085 OD2 ASP A 69 -13.405 -14.479 5.824 1.00 0.00 O ATOM 0 H ASP A 69 -13.139 -11.337 4.177 1.00 0.00 H new ATOM 0 HA ASP A 69 -11.667 -13.424 2.919 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -14.406 -13.085 4.035 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -14.198 -14.351 2.841 1.00 0.00 H new ATOM 1090 N ILE A 70 -13.826 -11.735 1.167 1.00 0.00 N ATOM 1091 CA ILE A 70 -14.218 -11.386 -0.176 1.00 0.00 C ATOM 1092 C ILE A 70 -12.986 -10.975 -0.979 1.00 0.00 C ATOM 1093 O ILE A 70 -12.750 -11.469 -2.077 1.00 0.00 O ATOM 1094 CB ILE A 70 -15.233 -10.218 -0.135 1.00 0.00 C ATOM 1095 CG1 ILE A 70 -16.584 -10.680 0.439 1.00 0.00 C ATOM 1096 CG2 ILE A 70 -15.412 -9.573 -1.507 1.00 0.00 C ATOM 1097 CD1 ILE A 70 -17.258 -11.778 -0.357 1.00 0.00 C ATOM 0 H ILE A 70 -14.253 -11.158 1.891 1.00 0.00 H new ATOM 0 HA ILE A 70 -14.685 -12.248 -0.652 1.00 0.00 H new ATOM 0 HB ILE A 70 -14.824 -9.457 0.530 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -16.431 -11.029 1.460 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -17.255 -9.822 0.493 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -16.132 -8.758 -1.435 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -14.455 -9.182 -1.853 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -15.777 -10.318 -2.214 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -18.203 -12.043 0.117 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -17.447 -11.428 -1.372 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -16.610 -12.654 -0.390 1.00 0.00 H new ATOM 1109 N TYR A 71 -12.194 -10.108 -0.391 1.00 0.00 N ATOM 1110 CA TYR A 71 -10.949 -9.646 -0.992 1.00 0.00 C ATOM 1111 C TYR A 71 -9.997 -10.821 -1.231 1.00 0.00 C ATOM 1112 O TYR A 71 -9.479 -11.002 -2.319 1.00 0.00 O ATOM 1113 CB TYR A 71 -10.304 -8.600 -0.071 1.00 0.00 C ATOM 1114 CG TYR A 71 -8.932 -8.132 -0.493 1.00 0.00 C ATOM 1115 CD1 TYR A 71 -8.768 -7.267 -1.562 1.00 0.00 C ATOM 1116 CD2 TYR A 71 -7.802 -8.544 0.196 1.00 0.00 C ATOM 1117 CE1 TYR A 71 -7.510 -6.827 -1.936 1.00 0.00 C ATOM 1118 CE2 TYR A 71 -6.546 -8.113 -0.169 1.00 0.00 C ATOM 1119 CZ TYR A 71 -6.403 -7.257 -1.234 1.00 0.00 C ATOM 1120 OH TYR A 71 -5.147 -6.823 -1.594 1.00 0.00 O ATOM 0 H TYR A 71 -12.390 -9.697 0.522 1.00 0.00 H new ATOM 0 HA TYR A 71 -11.161 -9.190 -1.959 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -10.964 -7.734 -0.013 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -10.235 -9.017 0.934 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -9.634 -6.931 -2.112 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -7.909 -9.216 1.035 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -7.396 -6.152 -2.771 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -5.677 -8.446 0.379 1.00 0.00 H new ATOM 0 HH TYR A 71 -5.227 -6.050 -2.192 1.00 0.00 H new