USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 734 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 90 THR OG1 : rot -81:sc= 0.1 USER MOD Set 1.2: A 91 ASN : amide:sc= -0.684 K(o=-0.58,f=0.076) USER MOD Set 2.1: A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 75 HIS : no HD1:sc= -3.32! X(o=-3.3!,f=-3.4) USER MOD Set 3.1: A 43 LYS NZ :NH3+ -171:sc= 0.533 (180deg=0) USER MOD Set 3.2: A 58 GLN : amide:sc= 0.29 K(o=0.82,f=-5.6!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 46:sc= 1.22 USER MOD Single : A 48 HIS : no HD1:sc= -6.29! C(o=-6.3!,f=-7.4!) USER MOD Single : A 54 HIS : no HD1:sc= -0.0987 X(o=-0.099,f=-0.49) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot -50:sc= 0.252 USER MOD Single : A 67 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00263) USER MOD Single : A 68 ASN : amide:sc= -0.1 K(o=-0.1,f=-5.8!) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -0.25 X(o=-0.25,f=-0.25) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -0.0124 X(o=-0.012,f=-0.43) USER MOD Single : A 84 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 89 SER OG : rot -167:sc= 0.469 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 163 N LEU A 15 11.426 -4.371 -10.860 1.00 0.00 N ATOM 164 CA LEU A 15 10.128 -3.774 -10.566 1.00 0.00 C ATOM 165 C LEU A 15 9.025 -4.828 -10.593 1.00 0.00 C ATOM 166 O LEU A 15 9.018 -5.710 -11.451 1.00 0.00 O ATOM 167 CB LEU A 15 9.815 -2.665 -11.571 1.00 0.00 C ATOM 168 CG LEU A 15 10.310 -1.266 -11.202 1.00 0.00 C ATOM 169 CD1 LEU A 15 10.123 -0.309 -12.370 1.00 0.00 C ATOM 170 CD2 LEU A 15 9.583 -0.751 -9.968 1.00 0.00 C ATOM 0 HA LEU A 15 10.171 -3.346 -9.565 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.249 -2.940 -12.532 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.735 -2.622 -11.709 1.00 0.00 H new ATOM 0 HG LEU A 15 11.374 -1.326 -10.974 1.00 0.00 H new ATOM 0 HD11 LEU A 15 10.481 0.682 -12.089 1.00 0.00 H new ATOM 0 HD12 LEU A 15 10.688 -0.669 -13.229 1.00 0.00 H new ATOM 0 HD13 LEU A 15 9.066 -0.253 -12.629 1.00 0.00 H new ATOM 0 HD21 LEU A 15 9.948 0.246 -9.720 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.513 -0.706 -10.169 1.00 0.00 H new ATOM 0 HD23 LEU A 15 9.767 -1.424 -9.130 1.00 0.00 H new ATOM 182 N ALA A 16 8.094 -4.727 -9.650 1.00 0.00 N ATOM 183 CA ALA A 16 6.984 -5.668 -9.569 1.00 0.00 C ATOM 184 C ALA A 16 5.651 -4.936 -9.460 1.00 0.00 C ATOM 185 O ALA A 16 5.524 -3.961 -8.719 1.00 0.00 O ATOM 186 CB ALA A 16 7.172 -6.606 -8.386 1.00 0.00 C ATOM 0 H ALA A 16 8.087 -4.003 -8.932 1.00 0.00 H new ATOM 0 HA ALA A 16 6.971 -6.257 -10.486 1.00 0.00 H new ATOM 0 HB1 ALA A 16 6.336 -7.303 -8.338 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.102 -7.162 -8.507 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.214 -6.025 -7.464 1.00 0.00 H new ATOM 192 N THR A 17 4.657 -5.412 -10.205 1.00 0.00 N ATOM 193 CA THR A 17 3.334 -4.802 -10.193 1.00 0.00 C ATOM 194 C THR A 17 2.646 -5.007 -8.848 1.00 0.00 C ATOM 195 O THR A 17 2.291 -6.129 -8.486 1.00 0.00 O ATOM 196 CB THR A 17 2.440 -5.378 -11.307 1.00 0.00 C ATOM 197 OG1 THR A 17 3.088 -5.238 -12.577 1.00 0.00 O ATOM 198 CG2 THR A 17 1.093 -4.672 -11.340 1.00 0.00 C ATOM 0 H THR A 17 4.744 -6.218 -10.824 1.00 0.00 H new ATOM 0 HA THR A 17 3.476 -3.735 -10.366 1.00 0.00 H new ATOM 0 HB THR A 17 2.274 -6.435 -11.098 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.514 -5.608 -13.280 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.479 -5.096 -12.135 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.589 -4.805 -10.383 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.244 -3.609 -11.526 1.00 0.00 H new ATOM 206 N VAL A 18 2.459 -3.916 -8.112 1.00 0.00 N ATOM 207 CA VAL A 18 1.811 -3.976 -6.807 1.00 0.00 C ATOM 208 C VAL A 18 0.470 -3.252 -6.825 1.00 0.00 C ATOM 209 O VAL A 18 0.414 -2.028 -6.947 1.00 0.00 O ATOM 210 CB VAL A 18 2.700 -3.360 -5.710 1.00 0.00 C ATOM 211 CG1 VAL A 18 1.929 -3.236 -4.405 1.00 0.00 C ATOM 212 CG2 VAL A 18 3.960 -4.190 -5.518 1.00 0.00 C ATOM 0 H VAL A 18 2.747 -2.980 -8.397 1.00 0.00 H new ATOM 0 HA VAL A 18 1.648 -5.030 -6.583 1.00 0.00 H new ATOM 0 HB VAL A 18 2.996 -2.359 -6.025 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.573 -2.799 -3.642 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.059 -2.596 -4.556 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.601 -4.224 -4.081 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.577 -3.741 -4.740 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.687 -5.204 -5.225 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.521 -4.221 -6.452 1.00 0.00 H new ATOM 222 N LYS A 19 -0.610 -4.016 -6.704 1.00 0.00 N ATOM 223 CA LYS A 19 -1.953 -3.448 -6.705 1.00 0.00 C ATOM 224 C LYS A 19 -2.379 -3.056 -5.294 1.00 0.00 C ATOM 225 O LYS A 19 -2.264 -3.847 -4.357 1.00 0.00 O ATOM 226 CB LYS A 19 -2.952 -4.448 -7.291 1.00 0.00 C ATOM 227 CG LYS A 19 -2.677 -4.804 -8.741 1.00 0.00 C ATOM 228 CD LYS A 19 -3.671 -5.828 -9.263 1.00 0.00 C ATOM 229 CE LYS A 19 -3.417 -7.205 -8.668 1.00 0.00 C ATOM 230 NZ LYS A 19 -4.152 -8.271 -9.404 1.00 0.00 N ATOM 0 H LYS A 19 -0.582 -5.031 -6.604 1.00 0.00 H new ATOM 0 HA LYS A 19 -1.940 -2.551 -7.324 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.935 -5.359 -6.693 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.957 -4.033 -7.212 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.726 -3.903 -9.353 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.665 -5.198 -8.834 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.685 -5.508 -9.023 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.603 -5.882 -10.350 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -2.348 -7.419 -8.690 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.721 -7.210 -7.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -3.953 -9.194 -8.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.174 -8.081 -9.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.843 -8.283 -10.397 1.00 0.00 H new ATOM 244 N VAL A 20 -2.873 -1.830 -5.148 1.00 0.00 N ATOM 245 CA VAL A 20 -3.318 -1.334 -3.852 1.00 0.00 C ATOM 246 C VAL A 20 -4.838 -1.234 -3.794 1.00 0.00 C ATOM 247 O VAL A 20 -5.478 -0.785 -4.745 1.00 0.00 O ATOM 248 CB VAL A 20 -2.712 0.047 -3.541 1.00 0.00 C ATOM 249 CG1 VAL A 20 -3.234 0.573 -2.212 1.00 0.00 C ATOM 250 CG2 VAL A 20 -1.192 -0.027 -3.533 1.00 0.00 C ATOM 0 H VAL A 20 -2.975 -1.162 -5.912 1.00 0.00 H new ATOM 0 HA VAL A 20 -2.975 -2.050 -3.105 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.016 0.741 -4.324 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.795 1.550 -2.009 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.319 0.666 -2.258 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.963 -0.119 -1.415 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.781 0.958 -3.312 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.866 -0.736 -2.772 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.839 -0.356 -4.510 1.00 0.00 H new ATOM 260 N VAL A 21 -5.411 -1.656 -2.671 1.00 0.00 N ATOM 261 CA VAL A 21 -6.857 -1.613 -2.488 1.00 0.00 C ATOM 262 C VAL A 21 -7.225 -0.926 -1.178 1.00 0.00 C ATOM 263 O VAL A 21 -6.730 -1.292 -0.111 1.00 0.00 O ATOM 264 CB VAL A 21 -7.467 -3.027 -2.502 1.00 0.00 C ATOM 265 CG1 VAL A 21 -8.968 -2.964 -2.260 1.00 0.00 C ATOM 266 CG2 VAL A 21 -7.160 -3.727 -3.818 1.00 0.00 C ATOM 0 H VAL A 21 -4.896 -2.031 -1.875 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.264 -1.041 -3.322 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.017 -3.606 -1.695 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -9.381 -3.972 -2.273 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -9.161 -2.506 -1.290 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -9.438 -2.369 -3.043 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -7.599 -4.725 -3.810 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.581 -3.152 -4.643 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.080 -3.806 -3.945 1.00 0.00 H new ATOM 276 N LEU A 22 -8.097 0.073 -1.265 1.00 0.00 N ATOM 277 CA LEU A 22 -8.532 0.813 -0.085 1.00 0.00 C ATOM 278 C LEU A 22 -9.631 0.057 0.656 1.00 0.00 C ATOM 279 O LEU A 22 -10.633 -0.341 0.063 1.00 0.00 O ATOM 280 CB LEU A 22 -9.034 2.201 -0.486 1.00 0.00 C ATOM 281 CG LEU A 22 -7.958 3.263 -0.715 1.00 0.00 C ATOM 282 CD1 LEU A 22 -8.542 4.467 -1.439 1.00 0.00 C ATOM 283 CD2 LEU A 22 -7.336 3.685 0.609 1.00 0.00 C ATOM 0 H LEU A 22 -8.516 0.389 -2.139 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.677 0.921 0.582 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.620 2.103 -1.400 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -9.710 2.559 0.290 1.00 0.00 H new ATOM 0 HG LEU A 22 -7.176 2.832 -1.341 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.762 5.212 -1.593 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.940 4.153 -2.404 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.343 4.899 -0.839 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.572 4.441 0.428 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.108 4.097 1.259 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.882 2.819 1.090 1.00 0.00 H new ATOM 295 N ILE A 23 -9.435 -0.134 1.957 1.00 0.00 N ATOM 296 CA ILE A 23 -10.411 -0.838 2.780 1.00 0.00 C ATOM 297 C ILE A 23 -11.655 0.014 3.008 1.00 0.00 C ATOM 298 O ILE A 23 -12.774 -0.374 2.672 1.00 0.00 O ATOM 299 CB ILE A 23 -9.816 -1.234 4.144 1.00 0.00 C ATOM 300 CG1 ILE A 23 -9.192 -2.629 4.068 1.00 0.00 C ATOM 301 CG2 ILE A 23 -10.886 -1.184 5.224 1.00 0.00 C ATOM 302 CD1 ILE A 23 -10.158 -3.698 3.604 1.00 0.00 C ATOM 0 H ILE A 23 -8.610 0.189 2.463 1.00 0.00 H new ATOM 0 HA ILE A 23 -10.688 -1.742 2.237 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.033 -0.521 4.403 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -8.340 -2.601 3.389 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.807 -2.900 5.051 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -10.450 -1.467 6.182 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -11.287 -0.173 5.292 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -11.689 -1.877 4.973 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.648 -4.661 3.574 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.998 -3.754 4.296 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -10.524 -3.450 2.608 1.00 0.00 H new ATOM 314 N PRO A 24 -11.457 1.204 3.593 1.00 0.00 N ATOM 315 CA PRO A 24 -12.551 2.138 3.877 1.00 0.00 C ATOM 316 C PRO A 24 -13.137 2.748 2.609 1.00 0.00 C ATOM 317 O PRO A 24 -14.248 3.279 2.619 1.00 0.00 O ATOM 318 CB PRO A 24 -11.882 3.218 4.731 1.00 0.00 C ATOM 319 CG PRO A 24 -10.445 3.170 4.344 1.00 0.00 C ATOM 320 CD PRO A 24 -10.150 1.732 4.021 1.00 0.00 C ATOM 0 HA PRO A 24 -13.390 1.646 4.368 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -12.312 4.200 4.535 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -12.012 3.019 5.795 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -10.251 3.811 3.484 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.810 3.526 5.156 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -9.403 1.642 3.233 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -9.764 1.196 4.888 1.00 0.00 H new ATOM 328 N VAL A 25 -12.384 2.669 1.517 1.00 0.00 N ATOM 329 CA VAL A 25 -12.829 3.212 0.239 1.00 0.00 C ATOM 330 C VAL A 25 -13.228 2.098 -0.723 1.00 0.00 C ATOM 331 O VAL A 25 -14.351 2.068 -1.223 1.00 0.00 O ATOM 332 CB VAL A 25 -11.735 4.075 -0.417 1.00 0.00 C ATOM 333 CG1 VAL A 25 -12.338 4.994 -1.468 1.00 0.00 C ATOM 334 CG2 VAL A 25 -10.985 4.875 0.638 1.00 0.00 C ATOM 0 H VAL A 25 -11.462 2.234 1.492 1.00 0.00 H new ATOM 0 HA VAL A 25 -13.698 3.837 0.447 1.00 0.00 H new ATOM 0 HB VAL A 25 -11.024 3.415 -0.913 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -11.550 5.596 -1.920 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -12.825 4.396 -2.238 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -13.072 5.650 -1.000 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -10.216 5.479 0.158 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -11.682 5.527 1.164 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -10.519 4.193 1.349 1.00 0.00 H new ATOM 344 N GLY A 26 -12.297 1.182 -0.977 1.00 0.00 N ATOM 345 CA GLY A 26 -12.570 0.078 -1.878 1.00 0.00 C ATOM 346 C GLY A 26 -12.087 0.348 -3.289 1.00 0.00 C ATOM 347 O GLY A 26 -12.265 -0.480 -4.182 1.00 0.00 O ATOM 0 H GLY A 26 -11.360 1.185 -0.575 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -12.089 -0.824 -1.499 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -13.642 -0.116 -1.895 1.00 0.00 H new ATOM 351 N GLN A 27 -11.476 1.511 -3.491 1.00 0.00 N ATOM 352 CA GLN A 27 -10.968 1.889 -4.805 1.00 0.00 C ATOM 353 C GLN A 27 -9.649 1.183 -5.102 1.00 0.00 C ATOM 354 O GLN A 27 -8.798 1.044 -4.224 1.00 0.00 O ATOM 355 CB GLN A 27 -10.779 3.404 -4.886 1.00 0.00 C ATOM 356 CG GLN A 27 -10.761 3.940 -6.308 1.00 0.00 C ATOM 357 CD GLN A 27 -10.720 5.455 -6.361 1.00 0.00 C ATOM 358 OE1 GLN A 27 -11.757 6.117 -6.324 1.00 0.00 O ATOM 359 NE2 GLN A 27 -9.517 6.012 -6.448 1.00 0.00 N ATOM 0 H GLN A 27 -11.321 2.208 -2.762 1.00 0.00 H new ATOM 0 HA GLN A 27 -11.700 1.582 -5.552 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -11.582 3.892 -4.333 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -9.844 3.672 -4.394 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -9.894 3.538 -6.832 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -11.646 3.586 -6.837 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -8.684 5.424 -6.476 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -9.427 7.027 -6.487 1.00 0.00 H new ATOM 368 N GLU A 28 -9.487 0.740 -6.345 1.00 0.00 N ATOM 369 CA GLU A 28 -8.272 0.048 -6.756 1.00 0.00 C ATOM 370 C GLU A 28 -7.263 1.027 -7.350 1.00 0.00 C ATOM 371 O GLU A 28 -7.619 1.894 -8.148 1.00 0.00 O ATOM 372 CB GLU A 28 -8.600 -1.044 -7.777 1.00 0.00 C ATOM 373 CG GLU A 28 -9.085 -2.339 -7.147 1.00 0.00 C ATOM 374 CD GLU A 28 -9.875 -3.198 -8.115 1.00 0.00 C ATOM 375 OE1 GLU A 28 -10.810 -2.669 -8.752 1.00 0.00 O ATOM 376 OE2 GLU A 28 -9.559 -4.400 -8.235 1.00 0.00 O ATOM 0 H GLU A 28 -10.182 0.848 -7.084 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.830 -0.412 -5.872 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -9.364 -0.673 -8.460 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.712 -1.250 -8.374 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.228 -2.904 -6.782 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.706 -2.108 -6.282 1.00 0.00 H new ATOM 383 N ILE A 29 -6.003 0.881 -6.954 1.00 0.00 N ATOM 384 CA ILE A 29 -4.942 1.751 -7.447 1.00 0.00 C ATOM 385 C ILE A 29 -3.717 0.944 -7.863 1.00 0.00 C ATOM 386 O ILE A 29 -3.277 0.048 -7.142 1.00 0.00 O ATOM 387 CB ILE A 29 -4.524 2.786 -6.385 1.00 0.00 C ATOM 388 CG1 ILE A 29 -5.739 3.596 -5.925 1.00 0.00 C ATOM 389 CG2 ILE A 29 -3.446 3.706 -6.938 1.00 0.00 C ATOM 390 CD1 ILE A 29 -5.430 4.564 -4.805 1.00 0.00 C ATOM 0 H ILE A 29 -5.692 0.169 -6.293 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.342 2.274 -8.316 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.116 2.257 -5.524 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.138 4.151 -6.774 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.520 2.910 -5.597 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.161 4.432 -6.176 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -2.574 3.116 -7.221 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.829 4.230 -7.813 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.336 5.104 -4.530 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.059 4.014 -3.940 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.672 5.274 -5.136 1.00 0.00 H new ATOM 402 N VAL A 30 -3.170 1.268 -9.030 1.00 0.00 N ATOM 403 CA VAL A 30 -1.993 0.576 -9.541 1.00 0.00 C ATOM 404 C VAL A 30 -0.768 1.482 -9.517 1.00 0.00 C ATOM 405 O VAL A 30 -0.799 2.598 -10.036 1.00 0.00 O ATOM 406 CB VAL A 30 -2.219 0.074 -10.980 1.00 0.00 C ATOM 407 CG1 VAL A 30 -0.947 -0.551 -11.533 1.00 0.00 C ATOM 408 CG2 VAL A 30 -3.372 -0.918 -11.023 1.00 0.00 C ATOM 0 H VAL A 30 -3.523 2.006 -9.640 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.820 -0.279 -8.888 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.479 0.927 -11.607 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.125 -0.900 -12.550 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.149 0.192 -11.539 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.654 -1.393 -10.907 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.518 -1.262 -12.047 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.143 -1.770 -10.383 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.282 -0.433 -10.670 1.00 0.00 H new ATOM 418 N ILE A 31 0.310 0.995 -8.912 1.00 0.00 N ATOM 419 CA ILE A 31 1.547 1.761 -8.822 1.00 0.00 C ATOM 420 C ILE A 31 2.764 0.843 -8.840 1.00 0.00 C ATOM 421 O ILE A 31 2.863 -0.115 -8.073 1.00 0.00 O ATOM 422 CB ILE A 31 1.585 2.620 -7.544 1.00 0.00 C ATOM 423 CG1 ILE A 31 3.018 3.068 -7.247 1.00 0.00 C ATOM 424 CG2 ILE A 31 1.012 1.845 -6.367 1.00 0.00 C ATOM 425 CD1 ILE A 31 3.097 4.354 -6.455 1.00 0.00 C ATOM 0 H ILE A 31 0.352 0.073 -8.477 1.00 0.00 H new ATOM 0 HA ILE A 31 1.576 2.417 -9.692 1.00 0.00 H new ATOM 0 HB ILE A 31 0.972 3.507 -7.702 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.530 2.279 -6.696 1.00 0.00 H new ATOM 0 HG13 ILE A 31 3.552 3.197 -8.188 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.046 2.466 -5.472 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.021 1.571 -6.580 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.600 0.942 -6.205 1.00 0.00 H new ATOM 0 HD11 ILE A 31 4.142 4.611 -6.281 1.00 0.00 H new ATOM 0 HD12 ILE A 31 2.614 5.156 -7.014 1.00 0.00 H new ATOM 0 HD13 ILE A 31 2.592 4.224 -5.498 1.00 0.00 H new ATOM 437 N PRO A 32 3.717 1.142 -9.736 1.00 0.00 N ATOM 438 CA PRO A 32 4.947 0.357 -9.875 1.00 0.00 C ATOM 439 C PRO A 32 5.880 0.526 -8.681 1.00 0.00 C ATOM 440 O PRO A 32 6.249 1.644 -8.322 1.00 0.00 O ATOM 441 CB PRO A 32 5.590 0.927 -11.142 1.00 0.00 C ATOM 442 CG PRO A 32 5.060 2.315 -11.244 1.00 0.00 C ATOM 443 CD PRO A 32 3.666 2.269 -10.683 1.00 0.00 C ATOM 0 HA PRO A 32 4.745 -0.713 -9.928 1.00 0.00 H new ATOM 0 HB2 PRO A 32 6.678 0.923 -11.070 1.00 0.00 H new ATOM 0 HB3 PRO A 32 5.326 0.337 -12.020 1.00 0.00 H new ATOM 0 HG2 PRO A 32 5.683 3.013 -10.684 1.00 0.00 H new ATOM 0 HG3 PRO A 32 5.053 2.655 -12.280 1.00 0.00 H new ATOM 0 HD2 PRO A 32 3.403 3.202 -10.184 1.00 0.00 H new ATOM 0 HD3 PRO A 32 2.924 2.105 -11.464 1.00 0.00 H new ATOM 451 N PHE A 33 6.260 -0.592 -8.070 1.00 0.00 N ATOM 452 CA PHE A 33 7.150 -0.567 -6.915 1.00 0.00 C ATOM 453 C PHE A 33 8.185 -1.685 -7.003 1.00 0.00 C ATOM 454 O PHE A 33 7.911 -2.760 -7.535 1.00 0.00 O ATOM 455 CB PHE A 33 6.345 -0.701 -5.621 1.00 0.00 C ATOM 456 CG PHE A 33 6.998 -0.046 -4.438 1.00 0.00 C ATOM 457 CD1 PHE A 33 7.097 1.334 -4.361 1.00 0.00 C ATOM 458 CD2 PHE A 33 7.515 -0.809 -3.403 1.00 0.00 C ATOM 459 CE1 PHE A 33 7.697 1.941 -3.273 1.00 0.00 C ATOM 460 CE2 PHE A 33 8.115 -0.208 -2.314 1.00 0.00 C ATOM 461 CZ PHE A 33 8.208 1.168 -2.249 1.00 0.00 C ATOM 0 H PHE A 33 5.966 -1.526 -8.356 1.00 0.00 H new ATOM 0 HA PHE A 33 7.673 0.389 -6.911 1.00 0.00 H new ATOM 0 HB2 PHE A 33 5.358 -0.263 -5.770 1.00 0.00 H new ATOM 0 HB3 PHE A 33 6.195 -1.759 -5.404 1.00 0.00 H new ATOM 0 HD1 PHE A 33 6.701 1.943 -5.160 1.00 0.00 H new ATOM 0 HD2 PHE A 33 7.448 -1.886 -3.449 1.00 0.00 H new ATOM 0 HE1 PHE A 33 7.766 3.018 -3.224 1.00 0.00 H new ATOM 0 HE2 PHE A 33 8.512 -0.814 -1.513 1.00 0.00 H new ATOM 0 HZ PHE A 33 8.679 1.639 -1.399 1.00 0.00 H new ATOM 471 N LYS A 34 9.377 -1.422 -6.476 1.00 0.00 N ATOM 472 CA LYS A 34 10.454 -2.404 -6.493 1.00 0.00 C ATOM 473 C LYS A 34 10.240 -3.465 -5.418 1.00 0.00 C ATOM 474 O LYS A 34 9.429 -3.287 -4.509 1.00 0.00 O ATOM 475 CB LYS A 34 11.804 -1.714 -6.281 1.00 0.00 C ATOM 476 CG LYS A 34 12.125 -0.670 -7.337 1.00 0.00 C ATOM 477 CD LYS A 34 11.578 0.695 -6.956 1.00 0.00 C ATOM 478 CE LYS A 34 12.232 1.804 -7.766 1.00 0.00 C ATOM 479 NZ LYS A 34 11.429 3.058 -7.740 1.00 0.00 N ATOM 0 H LYS A 34 9.621 -0.537 -6.032 1.00 0.00 H new ATOM 0 HA LYS A 34 10.451 -2.893 -7.467 1.00 0.00 H new ATOM 0 HB2 LYS A 34 11.810 -1.240 -5.299 1.00 0.00 H new ATOM 0 HB3 LYS A 34 12.591 -2.468 -6.276 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.205 -0.606 -7.470 1.00 0.00 H new ATOM 0 HG3 LYS A 34 11.704 -0.978 -8.294 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.500 0.714 -7.116 1.00 0.00 H new ATOM 0 HD3 LYS A 34 11.746 0.872 -5.894 1.00 0.00 H new ATOM 0 HE2 LYS A 34 13.228 2.003 -7.371 1.00 0.00 H new ATOM 0 HE3 LYS A 34 12.358 1.475 -8.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 11.908 3.789 -8.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 10.487 2.875 -8.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 11.330 3.387 -6.758 1.00 0.00 H new ATOM 493 N VAL A 35 10.973 -4.569 -5.528 1.00 0.00 N ATOM 494 CA VAL A 35 10.865 -5.657 -4.564 1.00 0.00 C ATOM 495 C VAL A 35 12.015 -5.623 -3.565 1.00 0.00 C ATOM 496 O VAL A 35 11.957 -6.261 -2.514 1.00 0.00 O ATOM 497 CB VAL A 35 10.849 -7.028 -5.266 1.00 0.00 C ATOM 498 CG1 VAL A 35 9.681 -7.119 -6.236 1.00 0.00 C ATOM 499 CG2 VAL A 35 12.168 -7.275 -5.982 1.00 0.00 C ATOM 0 H VAL A 35 11.648 -4.733 -6.275 1.00 0.00 H new ATOM 0 HA VAL A 35 9.923 -5.517 -4.033 1.00 0.00 H new ATOM 0 HB VAL A 35 10.722 -7.802 -4.509 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.687 -8.095 -6.722 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.745 -6.990 -5.692 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.773 -6.337 -6.990 1.00 0.00 H new ATOM 0 HG21 VAL A 35 12.139 -8.248 -6.472 1.00 0.00 H new ATOM 0 HG22 VAL A 35 12.328 -6.497 -6.728 1.00 0.00 H new ATOM 0 HG23 VAL A 35 12.983 -7.257 -5.259 1.00 0.00 H new ATOM 509 N ASP A 36 13.060 -4.874 -3.900 1.00 0.00 N ATOM 510 CA ASP A 36 14.225 -4.755 -3.031 1.00 0.00 C ATOM 511 C ASP A 36 14.291 -3.369 -2.397 1.00 0.00 C ATOM 512 O ASP A 36 15.373 -2.853 -2.114 1.00 0.00 O ATOM 513 CB ASP A 36 15.507 -5.029 -3.820 1.00 0.00 C ATOM 514 CG ASP A 36 15.924 -3.849 -4.675 1.00 0.00 C ATOM 515 OD1 ASP A 36 15.117 -3.417 -5.525 1.00 0.00 O ATOM 516 OD2 ASP A 36 17.057 -3.357 -4.494 1.00 0.00 O ATOM 0 H ASP A 36 13.124 -4.340 -4.767 1.00 0.00 H new ATOM 0 HA ASP A 36 14.131 -5.495 -2.236 1.00 0.00 H new ATOM 0 HB2 ASP A 36 16.312 -5.274 -3.127 1.00 0.00 H new ATOM 0 HB3 ASP A 36 15.359 -5.901 -4.457 1.00 0.00 H new ATOM 521 N THR A 37 13.125 -2.768 -2.178 1.00 0.00 N ATOM 522 CA THR A 37 13.049 -1.441 -1.580 1.00 0.00 C ATOM 523 C THR A 37 11.978 -1.387 -0.496 1.00 0.00 C ATOM 524 O THR A 37 10.876 -1.907 -0.673 1.00 0.00 O ATOM 525 CB THR A 37 12.748 -0.364 -2.639 1.00 0.00 C ATOM 526 OG1 THR A 37 13.846 -0.253 -3.551 1.00 0.00 O ATOM 527 CG2 THR A 37 12.490 0.983 -1.982 1.00 0.00 C ATOM 0 H THR A 37 12.220 -3.180 -2.406 1.00 0.00 H new ATOM 0 HA THR A 37 14.023 -1.239 -1.134 1.00 0.00 H new ATOM 0 HB THR A 37 11.852 -0.662 -3.184 1.00 0.00 H new ATOM 0 HG1 THR A 37 13.646 0.433 -4.222 1.00 0.00 H new ATOM 0 HG21 THR A 37 12.280 1.728 -2.750 1.00 0.00 H new ATOM 0 HG22 THR A 37 11.635 0.903 -1.311 1.00 0.00 H new ATOM 0 HG23 THR A 37 13.370 1.285 -1.414 1.00 0.00 H new ATOM 535 N ILE A 38 12.308 -0.753 0.624 1.00 0.00 N ATOM 536 CA ILE A 38 11.373 -0.630 1.735 1.00 0.00 C ATOM 537 C ILE A 38 10.038 -0.058 1.269 1.00 0.00 C ATOM 538 O ILE A 38 9.936 0.495 0.173 1.00 0.00 O ATOM 539 CB ILE A 38 11.941 0.266 2.852 1.00 0.00 C ATOM 540 CG1 ILE A 38 12.405 1.605 2.276 1.00 0.00 C ATOM 541 CG2 ILE A 38 13.087 -0.437 3.563 1.00 0.00 C ATOM 542 CD1 ILE A 38 11.300 2.634 2.172 1.00 0.00 C ATOM 0 H ILE A 38 13.216 -0.317 0.786 1.00 0.00 H new ATOM 0 HA ILE A 38 11.217 -1.634 2.130 1.00 0.00 H new ATOM 0 HB ILE A 38 11.152 0.459 3.579 1.00 0.00 H new ATOM 0 HG12 ILE A 38 13.204 2.003 2.902 1.00 0.00 H new ATOM 0 HG13 ILE A 38 12.829 1.438 1.286 1.00 0.00 H new ATOM 0 HG21 ILE A 38 13.478 0.209 4.349 1.00 0.00 H new ATOM 0 HG22 ILE A 38 12.727 -1.367 4.003 1.00 0.00 H new ATOM 0 HG23 ILE A 38 13.879 -0.657 2.847 1.00 0.00 H new ATOM 0 HD11 ILE A 38 11.701 3.558 1.756 1.00 0.00 H new ATOM 0 HD12 ILE A 38 10.511 2.256 1.522 1.00 0.00 H new ATOM 0 HD13 ILE A 38 10.891 2.830 3.163 1.00 0.00 H new ATOM 554 N LEU A 39 9.018 -0.192 2.109 1.00 0.00 N ATOM 555 CA LEU A 39 7.688 0.313 1.784 1.00 0.00 C ATOM 556 C LEU A 39 7.531 1.761 2.236 1.00 0.00 C ATOM 557 O LEU A 39 6.762 2.525 1.653 1.00 0.00 O ATOM 558 CB LEU A 39 6.616 -0.557 2.441 1.00 0.00 C ATOM 559 CG LEU A 39 6.588 -2.025 2.013 1.00 0.00 C ATOM 560 CD1 LEU A 39 6.002 -2.892 3.117 1.00 0.00 C ATOM 561 CD2 LEU A 39 5.793 -2.190 0.726 1.00 0.00 C ATOM 0 H LEU A 39 9.086 -0.646 3.020 1.00 0.00 H new ATOM 0 HA LEU A 39 7.566 0.274 0.702 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.756 -0.517 3.521 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.641 -0.119 2.229 1.00 0.00 H new ATOM 0 HG LEU A 39 7.612 -2.349 1.829 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.990 -3.933 2.794 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.611 -2.798 4.016 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.984 -2.567 3.333 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.784 -3.241 0.436 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.770 -1.848 0.884 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.255 -1.600 -0.065 1.00 0.00 H new ATOM 573 N LYS A 40 8.267 2.134 3.278 1.00 0.00 N ATOM 574 CA LYS A 40 8.213 3.491 3.807 1.00 0.00 C ATOM 575 C LYS A 40 8.043 4.508 2.682 1.00 0.00 C ATOM 576 O LYS A 40 7.375 5.528 2.850 1.00 0.00 O ATOM 577 CB LYS A 40 9.483 3.802 4.602 1.00 0.00 C ATOM 578 CG LYS A 40 9.276 4.827 5.704 1.00 0.00 C ATOM 579 CD LYS A 40 10.577 5.140 6.425 1.00 0.00 C ATOM 580 CE LYS A 40 11.470 6.049 5.594 1.00 0.00 C ATOM 581 NZ LYS A 40 12.554 6.659 6.412 1.00 0.00 N ATOM 0 H LYS A 40 8.908 1.514 3.773 1.00 0.00 H new ATOM 0 HA LYS A 40 7.351 3.561 4.470 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.861 2.879 5.042 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.250 4.166 3.918 1.00 0.00 H new ATOM 0 HG2 LYS A 40 8.865 5.743 5.278 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.544 4.451 6.419 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.359 5.617 7.381 1.00 0.00 H new ATOM 0 HD3 LYS A 40 11.105 4.212 6.645 1.00 0.00 H new ATOM 0 HE2 LYS A 40 11.910 5.478 4.776 1.00 0.00 H new ATOM 0 HE3 LYS A 40 10.867 6.838 5.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 13.141 7.271 5.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 12.135 7.225 7.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 13.145 5.907 6.821 1.00 0.00 H new ATOM 595 N TYR A 41 8.651 4.221 1.536 1.00 0.00 N ATOM 596 CA TYR A 41 8.568 5.111 0.384 1.00 0.00 C ATOM 597 C TYR A 41 7.154 5.131 -0.188 1.00 0.00 C ATOM 598 O TYR A 41 6.609 6.193 -0.492 1.00 0.00 O ATOM 599 CB TYR A 41 9.560 4.676 -0.696 1.00 0.00 C ATOM 600 CG TYR A 41 11.000 4.992 -0.358 1.00 0.00 C ATOM 601 CD1 TYR A 41 11.390 6.287 -0.039 1.00 0.00 C ATOM 602 CD2 TYR A 41 11.969 3.997 -0.359 1.00 0.00 C ATOM 603 CE1 TYR A 41 12.704 6.582 0.269 1.00 0.00 C ATOM 604 CE2 TYR A 41 13.285 4.282 -0.050 1.00 0.00 C ATOM 605 CZ TYR A 41 13.648 5.576 0.263 1.00 0.00 C ATOM 606 OH TYR A 41 14.958 5.864 0.569 1.00 0.00 O ATOM 0 H TYR A 41 9.206 3.380 1.380 1.00 0.00 H new ATOM 0 HA TYR A 41 8.821 6.118 0.716 1.00 0.00 H new ATOM 0 HB2 TYR A 41 9.461 3.603 -0.858 1.00 0.00 H new ATOM 0 HB3 TYR A 41 9.300 5.165 -1.635 1.00 0.00 H new ATOM 0 HD1 TYR A 41 10.653 7.077 -0.032 1.00 0.00 H new ATOM 0 HD2 TYR A 41 11.689 2.983 -0.605 1.00 0.00 H new ATOM 0 HE1 TYR A 41 12.991 7.594 0.513 1.00 0.00 H new ATOM 0 HE2 TYR A 41 14.026 3.496 -0.053 1.00 0.00 H new ATOM 0 HH TYR A 41 15.493 5.044 0.520 1.00 0.00 H new ATOM 616 N LEU A 42 6.564 3.950 -0.330 1.00 0.00 N ATOM 617 CA LEU A 42 5.211 3.829 -0.864 1.00 0.00 C ATOM 618 C LEU A 42 4.179 4.299 0.155 1.00 0.00 C ATOM 619 O LEU A 42 3.053 4.647 -0.200 1.00 0.00 O ATOM 620 CB LEU A 42 4.927 2.380 -1.265 1.00 0.00 C ATOM 621 CG LEU A 42 3.647 2.144 -2.067 1.00 0.00 C ATOM 622 CD1 LEU A 42 3.812 2.639 -3.495 1.00 0.00 C ATOM 623 CD2 LEU A 42 3.272 0.669 -2.051 1.00 0.00 C ATOM 0 H LEU A 42 7.001 3.062 -0.083 1.00 0.00 H new ATOM 0 HA LEU A 42 5.137 4.464 -1.747 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.771 2.014 -1.850 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.881 1.776 -0.359 1.00 0.00 H new ATOM 0 HG LEU A 42 2.840 2.709 -1.600 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.891 2.462 -4.050 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.032 3.707 -3.487 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.632 2.103 -3.973 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.359 0.520 -2.627 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.079 0.084 -2.492 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.110 0.346 -1.023 1.00 0.00 H new ATOM 635 N LYS A 43 4.571 4.307 1.425 1.00 0.00 N ATOM 636 CA LYS A 43 3.682 4.737 2.498 1.00 0.00 C ATOM 637 C LYS A 43 3.647 6.259 2.598 1.00 0.00 C ATOM 638 O LYS A 43 2.575 6.861 2.668 1.00 0.00 O ATOM 639 CB LYS A 43 4.131 4.138 3.832 1.00 0.00 C ATOM 640 CG LYS A 43 3.036 4.104 4.883 1.00 0.00 C ATOM 641 CD LYS A 43 3.433 3.247 6.074 1.00 0.00 C ATOM 642 CE LYS A 43 3.079 1.785 5.852 1.00 0.00 C ATOM 643 NZ LYS A 43 3.231 0.982 7.097 1.00 0.00 N ATOM 0 H LYS A 43 5.499 4.020 1.736 1.00 0.00 H new ATOM 0 HA LYS A 43 2.678 4.382 2.268 1.00 0.00 H new ATOM 0 HB2 LYS A 43 4.491 3.123 3.662 1.00 0.00 H new ATOM 0 HB3 LYS A 43 4.973 4.715 4.215 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.821 5.118 5.219 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.119 3.713 4.442 1.00 0.00 H new ATOM 0 HD2 LYS A 43 4.505 3.340 6.249 1.00 0.00 H new ATOM 0 HD3 LYS A 43 2.931 3.612 6.970 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.052 1.710 5.495 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.718 1.371 5.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.130 -0.029 6.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.171 1.153 7.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.498 1.260 7.781 1.00 0.00 H new ATOM 657 N ASP A 44 4.824 6.874 2.603 1.00 0.00 N ATOM 658 CA ASP A 44 4.927 8.326 2.693 1.00 0.00 C ATOM 659 C ASP A 44 4.194 8.995 1.535 1.00 0.00 C ATOM 660 O ASP A 44 3.753 10.140 1.644 1.00 0.00 O ATOM 661 CB ASP A 44 6.396 8.755 2.698 1.00 0.00 C ATOM 662 CG ASP A 44 7.027 8.640 4.072 1.00 0.00 C ATOM 663 OD1 ASP A 44 6.285 8.711 5.074 1.00 0.00 O ATOM 664 OD2 ASP A 44 8.263 8.477 4.145 1.00 0.00 O ATOM 0 H ASP A 44 5.720 6.390 2.546 1.00 0.00 H new ATOM 0 HA ASP A 44 4.461 8.642 3.626 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.954 8.139 1.992 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.472 9.786 2.351 1.00 0.00 H new ATOM 669 N HIS A 45 4.067 8.274 0.425 1.00 0.00 N ATOM 670 CA HIS A 45 3.388 8.799 -0.754 1.00 0.00 C ATOM 671 C HIS A 45 1.893 8.960 -0.493 1.00 0.00 C ATOM 672 O HIS A 45 1.313 10.009 -0.772 1.00 0.00 O ATOM 673 CB HIS A 45 3.611 7.874 -1.951 1.00 0.00 C ATOM 674 CG HIS A 45 3.354 8.531 -3.272 1.00 0.00 C ATOM 675 ND1 HIS A 45 4.362 8.907 -4.135 1.00 0.00 N ATOM 676 CD2 HIS A 45 2.194 8.878 -3.877 1.00 0.00 C ATOM 677 CE1 HIS A 45 3.833 9.458 -5.213 1.00 0.00 C ATOM 678 NE2 HIS A 45 2.519 9.452 -5.082 1.00 0.00 N ATOM 0 H HIS A 45 4.425 7.325 0.318 1.00 0.00 H new ATOM 0 HA HIS A 45 3.808 9.779 -0.978 1.00 0.00 H new ATOM 0 HB2 HIS A 45 4.637 7.508 -1.930 1.00 0.00 H new ATOM 0 HB3 HIS A 45 2.960 7.005 -1.854 1.00 0.00 H new ATOM 0 HD2 HIS A 45 1.198 8.731 -3.485 1.00 0.00 H new ATOM 0 HE1 HIS A 45 4.382 9.847 -6.058 1.00 0.00 H new ATOM 0 HE2 HIS A 45 1.853 9.815 -5.765 1.00 0.00 H new ATOM 687 N PHE A 46 1.275 7.913 0.044 1.00 0.00 N ATOM 688 CA PHE A 46 -0.153 7.938 0.341 1.00 0.00 C ATOM 689 C PHE A 46 -0.438 8.802 1.566 1.00 0.00 C ATOM 690 O PHE A 46 -1.436 9.522 1.613 1.00 0.00 O ATOM 691 CB PHE A 46 -0.672 6.518 0.573 1.00 0.00 C ATOM 692 CG PHE A 46 -0.948 5.766 -0.697 1.00 0.00 C ATOM 693 CD1 PHE A 46 0.084 5.173 -1.406 1.00 0.00 C ATOM 694 CD2 PHE A 46 -2.241 5.652 -1.183 1.00 0.00 C ATOM 695 CE1 PHE A 46 -0.166 4.480 -2.575 1.00 0.00 C ATOM 696 CE2 PHE A 46 -2.498 4.960 -2.351 1.00 0.00 C ATOM 697 CZ PHE A 46 -1.459 4.374 -3.049 1.00 0.00 C ATOM 0 H PHE A 46 1.740 7.037 0.282 1.00 0.00 H new ATOM 0 HA PHE A 46 -0.670 8.371 -0.516 1.00 0.00 H new ATOM 0 HB2 PHE A 46 0.059 5.964 1.162 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -1.587 6.566 1.164 1.00 0.00 H new ATOM 0 HD1 PHE A 46 1.097 5.253 -1.040 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -3.057 6.109 -0.643 1.00 0.00 H new ATOM 0 HE1 PHE A 46 0.648 4.022 -3.117 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -3.510 4.877 -2.718 1.00 0.00 H new ATOM 0 HZ PHE A 46 -1.658 3.834 -3.963 1.00 0.00 H new ATOM 707 N SER A 47 0.446 8.726 2.556 1.00 0.00 N ATOM 708 CA SER A 47 0.288 9.497 3.784 1.00 0.00 C ATOM 709 C SER A 47 0.147 10.984 3.476 1.00 0.00 C ATOM 710 O SER A 47 -0.896 11.587 3.732 1.00 0.00 O ATOM 711 CB SER A 47 1.481 9.267 4.713 1.00 0.00 C ATOM 712 OG SER A 47 1.617 10.329 5.641 1.00 0.00 O ATOM 0 H SER A 47 1.279 8.138 2.532 1.00 0.00 H new ATOM 0 HA SER A 47 -0.621 9.159 4.282 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.353 8.326 5.248 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.393 9.176 4.123 1.00 0.00 H new ATOM 0 HG SER A 47 0.742 10.539 6.029 1.00 0.00 H new ATOM 718 N HIS A 48 1.205 11.571 2.925 1.00 0.00 N ATOM 719 CA HIS A 48 1.201 12.988 2.581 1.00 0.00 C ATOM 720 C HIS A 48 -0.035 13.345 1.761 1.00 0.00 C ATOM 721 O HIS A 48 -0.792 14.248 2.120 1.00 0.00 O ATOM 722 CB HIS A 48 2.466 13.350 1.803 1.00 0.00 C ATOM 723 CG HIS A 48 2.318 13.205 0.319 1.00 0.00 C ATOM 724 ND1 HIS A 48 2.806 12.124 -0.384 1.00 0.00 N ATOM 725 CD2 HIS A 48 1.730 14.013 -0.595 1.00 0.00 C ATOM 726 CE1 HIS A 48 2.526 12.274 -1.667 1.00 0.00 C ATOM 727 NE2 HIS A 48 1.873 13.412 -1.821 1.00 0.00 N ATOM 0 H HIS A 48 2.076 11.087 2.707 1.00 0.00 H new ATOM 0 HA HIS A 48 1.178 13.561 3.508 1.00 0.00 H new ATOM 0 HB2 HIS A 48 2.743 14.379 2.034 1.00 0.00 H new ATOM 0 HB3 HIS A 48 3.285 12.716 2.142 1.00 0.00 H new ATOM 0 HD2 HIS A 48 1.240 14.955 -0.396 1.00 0.00 H new ATOM 0 HE1 HIS A 48 2.787 11.584 -2.455 1.00 0.00 H new ATOM 0 HE2 HIS A 48 1.531 13.784 -2.707 1.00 0.00 H new ATOM 736 N LEU A 49 -0.234 12.631 0.658 1.00 0.00 N ATOM 737 CA LEU A 49 -1.378 12.872 -0.214 1.00 0.00 C ATOM 738 C LEU A 49 -2.678 12.876 0.583 1.00 0.00 C ATOM 739 O LEU A 49 -3.392 13.880 0.622 1.00 0.00 O ATOM 740 CB LEU A 49 -1.441 11.808 -1.310 1.00 0.00 C ATOM 741 CG LEU A 49 -2.402 12.091 -2.466 1.00 0.00 C ATOM 742 CD1 LEU A 49 -3.760 12.525 -1.938 1.00 0.00 C ATOM 743 CD2 LEU A 49 -1.824 13.152 -3.392 1.00 0.00 C ATOM 0 H LEU A 49 0.382 11.880 0.347 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.253 13.852 -0.675 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.440 11.678 -1.720 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.724 10.860 -0.852 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.534 11.172 -3.036 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.430 12.722 -2.775 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.179 11.733 -1.317 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.646 13.431 -1.343 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.521 13.341 -4.209 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.662 14.074 -2.833 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.875 12.802 -3.798 1.00 0.00 H new ATOM 755 N LEU A 50 -2.980 11.750 1.218 1.00 0.00 N ATOM 756 CA LEU A 50 -4.195 11.624 2.017 1.00 0.00 C ATOM 757 C LEU A 50 -4.270 12.724 3.071 1.00 0.00 C ATOM 758 O LEU A 50 -5.356 13.149 3.462 1.00 0.00 O ATOM 759 CB LEU A 50 -4.245 10.251 2.691 1.00 0.00 C ATOM 760 CG LEU A 50 -4.508 9.060 1.769 1.00 0.00 C ATOM 761 CD1 LEU A 50 -4.229 7.752 2.494 1.00 0.00 C ATOM 762 CD2 LEU A 50 -5.939 9.091 1.252 1.00 0.00 C ATOM 0 H LEU A 50 -2.401 10.911 1.196 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.051 11.726 1.351 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.298 10.086 3.204 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.022 10.272 3.455 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.833 9.130 0.916 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.422 6.915 1.822 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.187 7.728 2.814 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.878 7.674 3.366 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.108 8.236 0.597 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.631 9.046 2.093 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.105 10.013 0.695 1.00 0.00 H new ATOM 774 N GLY A 51 -3.107 13.181 3.525 1.00 0.00 N ATOM 775 CA GLY A 51 -3.064 14.230 4.528 1.00 0.00 C ATOM 776 C GLY A 51 -2.822 13.688 5.923 1.00 0.00 C ATOM 777 O GLY A 51 -2.415 14.426 6.821 1.00 0.00 O ATOM 0 H GLY A 51 -2.195 12.844 3.217 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.275 14.939 4.275 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.004 14.781 4.514 1.00 0.00 H new ATOM 781 N ILE A 52 -3.074 12.396 6.106 1.00 0.00 N ATOM 782 CA ILE A 52 -2.881 11.757 7.402 1.00 0.00 C ATOM 783 C ILE A 52 -1.500 11.119 7.500 1.00 0.00 C ATOM 784 O ILE A 52 -0.903 10.713 6.503 1.00 0.00 O ATOM 785 CB ILE A 52 -3.952 10.680 7.663 1.00 0.00 C ATOM 786 CG1 ILE A 52 -3.958 9.651 6.530 1.00 0.00 C ATOM 787 CG2 ILE A 52 -5.323 11.322 7.811 1.00 0.00 C ATOM 788 CD1 ILE A 52 -4.919 8.506 6.760 1.00 0.00 C ATOM 0 H ILE A 52 -3.412 11.772 5.374 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.971 12.539 8.156 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.711 10.166 8.594 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.218 10.151 5.597 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.951 9.251 6.408 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -6.069 10.549 7.995 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.310 12.020 8.648 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -5.574 11.858 6.896 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.871 7.816 5.918 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.647 7.981 7.676 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -5.933 8.895 6.852 1.00 0.00 H new ATOM 800 N PRO A 53 -0.978 11.025 8.732 1.00 0.00 N ATOM 801 CA PRO A 53 0.338 10.435 8.992 1.00 0.00 C ATOM 802 C PRO A 53 0.352 8.927 8.765 1.00 0.00 C ATOM 803 O PRO A 53 -0.678 8.262 8.877 1.00 0.00 O ATOM 804 CB PRO A 53 0.587 10.755 10.468 1.00 0.00 C ATOM 805 CG PRO A 53 -0.773 10.908 11.056 1.00 0.00 C ATOM 806 CD PRO A 53 -1.633 11.488 9.967 1.00 0.00 C ATOM 0 HA PRO A 53 1.101 10.831 8.322 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.143 9.956 10.958 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.173 11.667 10.582 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -1.163 9.947 11.391 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -0.750 11.564 11.926 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -2.661 11.132 10.034 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -1.668 12.576 10.019 1.00 0.00 H new ATOM 814 N HIS A 54 1.527 8.392 8.445 1.00 0.00 N ATOM 815 CA HIS A 54 1.674 6.961 8.203 1.00 0.00 C ATOM 816 C HIS A 54 1.658 6.184 9.516 1.00 0.00 C ATOM 817 O HIS A 54 1.355 4.991 9.538 1.00 0.00 O ATOM 818 CB HIS A 54 2.974 6.682 7.448 1.00 0.00 C ATOM 819 CG HIS A 54 4.201 7.135 8.179 1.00 0.00 C ATOM 820 ND1 HIS A 54 4.810 6.386 9.164 1.00 0.00 N ATOM 821 CD2 HIS A 54 4.933 8.267 8.063 1.00 0.00 C ATOM 822 CE1 HIS A 54 5.862 7.038 9.623 1.00 0.00 C ATOM 823 NE2 HIS A 54 5.960 8.183 8.971 1.00 0.00 N ATOM 0 H HIS A 54 2.390 8.927 8.347 1.00 0.00 H new ATOM 0 HA HIS A 54 0.831 6.631 7.596 1.00 0.00 H new ATOM 0 HB2 HIS A 54 3.050 5.612 7.256 1.00 0.00 H new ATOM 0 HB3 HIS A 54 2.935 7.178 6.478 1.00 0.00 H new ATOM 0 HD2 HIS A 54 4.745 9.085 7.383 1.00 0.00 H new ATOM 0 HE1 HIS A 54 6.529 6.694 10.399 1.00 0.00 H new ATOM 0 HE2 HIS A 54 6.681 8.889 9.118 1.00 0.00 H new ATOM 832 N SER A 55 1.985 6.868 10.608 1.00 0.00 N ATOM 833 CA SER A 55 2.011 6.240 11.924 1.00 0.00 C ATOM 834 C SER A 55 0.777 5.369 12.135 1.00 0.00 C ATOM 835 O SER A 55 0.879 4.225 12.579 1.00 0.00 O ATOM 836 CB SER A 55 2.091 7.306 13.019 1.00 0.00 C ATOM 837 OG SER A 55 1.864 6.741 14.298 1.00 0.00 O ATOM 0 H SER A 55 2.236 7.857 10.607 1.00 0.00 H new ATOM 0 HA SER A 55 2.895 5.605 11.979 1.00 0.00 H new ATOM 0 HB2 SER A 55 3.072 7.782 12.997 1.00 0.00 H new ATOM 0 HB3 SER A 55 1.354 8.086 12.826 1.00 0.00 H new ATOM 0 HG SER A 55 1.922 7.442 14.980 1.00 0.00 H new ATOM 843 N VAL A 56 -0.390 5.919 11.815 1.00 0.00 N ATOM 844 CA VAL A 56 -1.645 5.193 11.968 1.00 0.00 C ATOM 845 C VAL A 56 -1.921 4.311 10.756 1.00 0.00 C ATOM 846 O VAL A 56 -2.342 3.162 10.894 1.00 0.00 O ATOM 847 CB VAL A 56 -2.830 6.157 12.168 1.00 0.00 C ATOM 848 CG1 VAL A 56 -2.647 6.972 13.439 1.00 0.00 C ATOM 849 CG2 VAL A 56 -2.986 7.067 10.959 1.00 0.00 C ATOM 0 H VAL A 56 -0.492 6.865 11.448 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.542 4.566 12.854 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.741 5.568 12.271 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.494 7.647 13.563 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.589 6.301 14.296 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.727 7.553 13.370 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.828 7.741 11.117 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.075 7.650 10.822 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.167 6.463 10.070 1.00 0.00 H new ATOM 859 N LEU A 57 -1.681 4.855 9.568 1.00 0.00 N ATOM 860 CA LEU A 57 -1.903 4.116 8.330 1.00 0.00 C ATOM 861 C LEU A 57 -0.934 2.944 8.213 1.00 0.00 C ATOM 862 O LEU A 57 0.267 3.095 8.437 1.00 0.00 O ATOM 863 CB LEU A 57 -1.745 5.045 7.124 1.00 0.00 C ATOM 864 CG LEU A 57 -1.244 4.392 5.835 1.00 0.00 C ATOM 865 CD1 LEU A 57 -2.332 3.526 5.218 1.00 0.00 C ATOM 866 CD2 LEU A 57 -0.778 5.451 4.847 1.00 0.00 C ATOM 0 H LEU A 57 -1.333 5.805 9.436 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.919 3.722 8.348 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.709 5.511 6.921 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.055 5.845 7.394 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.395 3.754 6.080 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.958 3.069 4.302 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.618 2.745 5.922 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.201 4.143 4.987 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.425 4.968 3.936 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.608 6.115 4.607 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.033 6.029 5.289 1.00 0.00 H new ATOM 878 N GLN A 58 -1.464 1.777 7.861 1.00 0.00 N ATOM 879 CA GLN A 58 -0.645 0.580 7.714 1.00 0.00 C ATOM 880 C GLN A 58 -1.008 -0.174 6.438 1.00 0.00 C ATOM 881 O GLN A 58 -1.941 0.201 5.728 1.00 0.00 O ATOM 882 CB GLN A 58 -0.818 -0.334 8.928 1.00 0.00 C ATOM 883 CG GLN A 58 -0.435 0.323 10.244 1.00 0.00 C ATOM 884 CD GLN A 58 1.064 0.355 10.466 1.00 0.00 C ATOM 885 OE1 GLN A 58 1.822 0.792 9.599 1.00 0.00 O ATOM 886 NE2 GLN A 58 1.501 -0.108 11.631 1.00 0.00 N ATOM 0 H GLN A 58 -2.456 1.635 7.672 1.00 0.00 H new ATOM 0 HA GLN A 58 0.398 0.889 7.647 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.857 -0.659 8.983 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.211 -1.229 8.788 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.823 1.341 10.264 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -0.909 -0.215 11.065 1.00 0.00 H new ATOM 0 HE21 GLN A 58 0.838 -0.461 12.321 1.00 0.00 H new ATOM 0 HE22 GLN A 58 2.500 -0.111 11.836 1.00 0.00 H new ATOM 895 N ILE A 59 -0.264 -1.238 6.154 1.00 0.00 N ATOM 896 CA ILE A 59 -0.508 -2.044 4.965 1.00 0.00 C ATOM 897 C ILE A 59 -0.576 -3.528 5.311 1.00 0.00 C ATOM 898 O ILE A 59 0.325 -4.067 5.954 1.00 0.00 O ATOM 899 CB ILE A 59 0.585 -1.826 3.902 1.00 0.00 C ATOM 900 CG1 ILE A 59 0.795 -0.330 3.655 1.00 0.00 C ATOM 901 CG2 ILE A 59 0.215 -2.535 2.608 1.00 0.00 C ATOM 902 CD1 ILE A 59 1.994 -0.024 2.785 1.00 0.00 C ATOM 0 H ILE A 59 0.512 -1.561 6.731 1.00 0.00 H new ATOM 0 HA ILE A 59 -1.467 -1.723 4.559 1.00 0.00 H new ATOM 0 HB ILE A 59 1.519 -2.249 4.271 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -0.099 0.082 3.186 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.913 0.175 4.614 1.00 0.00 H new ATOM 0 HG21 ILE A 59 0.997 -2.371 1.867 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.111 -3.604 2.796 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -0.729 -2.139 2.233 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.081 1.054 2.652 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.897 -0.405 3.262 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.869 -0.500 1.813 1.00 0.00 H new ATOM 914 N ARG A 60 -1.648 -4.183 4.879 1.00 0.00 N ATOM 915 CA ARG A 60 -1.833 -5.604 5.142 1.00 0.00 C ATOM 916 C ARG A 60 -1.731 -6.414 3.853 1.00 0.00 C ATOM 917 O ARG A 60 -2.462 -6.167 2.893 1.00 0.00 O ATOM 918 CB ARG A 60 -3.190 -5.850 5.805 1.00 0.00 C ATOM 919 CG ARG A 60 -3.488 -7.319 6.058 1.00 0.00 C ATOM 920 CD ARG A 60 -4.787 -7.500 6.827 1.00 0.00 C ATOM 921 NE ARG A 60 -4.781 -6.768 8.091 1.00 0.00 N ATOM 922 CZ ARG A 60 -5.873 -6.533 8.809 1.00 0.00 C ATOM 923 NH1 ARG A 60 -7.053 -6.970 8.390 1.00 0.00 N ATOM 924 NH2 ARG A 60 -5.787 -5.859 9.949 1.00 0.00 N ATOM 0 H ARG A 60 -2.402 -3.752 4.345 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.042 -5.928 5.818 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -3.224 -5.313 6.753 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -3.974 -5.433 5.173 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -3.550 -7.848 5.107 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -2.667 -7.767 6.618 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -5.622 -7.159 6.214 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -4.948 -8.560 7.023 1.00 0.00 H new ATOM 0 HE ARG A 60 -3.889 -6.418 8.441 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -7.123 -7.488 7.514 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -7.890 -6.788 8.944 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -4.881 -5.521 10.274 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -6.627 -5.679 10.500 1.00 0.00 H new ATOM 938 N TYR A 61 -0.820 -7.381 3.838 1.00 0.00 N ATOM 939 CA TYR A 61 -0.620 -8.225 2.667 1.00 0.00 C ATOM 940 C TYR A 61 -0.643 -9.702 3.048 1.00 0.00 C ATOM 941 O TYR A 61 0.089 -10.136 3.938 1.00 0.00 O ATOM 942 CB TYR A 61 0.707 -7.883 1.987 1.00 0.00 C ATOM 943 CG TYR A 61 1.156 -8.918 0.980 1.00 0.00 C ATOM 944 CD1 TYR A 61 0.520 -9.044 -0.248 1.00 0.00 C ATOM 945 CD2 TYR A 61 2.218 -9.771 1.258 1.00 0.00 C ATOM 946 CE1 TYR A 61 0.926 -9.989 -1.170 1.00 0.00 C ATOM 947 CE2 TYR A 61 2.632 -10.718 0.342 1.00 0.00 C ATOM 948 CZ TYR A 61 1.983 -10.823 -0.871 1.00 0.00 C ATOM 949 OH TYR A 61 2.392 -11.765 -1.787 1.00 0.00 O ATOM 0 H TYR A 61 -0.208 -7.599 4.624 1.00 0.00 H new ATOM 0 HA TYR A 61 -1.437 -8.036 1.971 1.00 0.00 H new ATOM 0 HB2 TYR A 61 0.612 -6.919 1.487 1.00 0.00 H new ATOM 0 HB3 TYR A 61 1.478 -7.772 2.749 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -0.307 -8.391 -0.486 1.00 0.00 H new ATOM 0 HD2 TYR A 61 2.728 -9.692 2.207 1.00 0.00 H new ATOM 0 HE1 TYR A 61 0.419 -10.074 -2.120 1.00 0.00 H new ATOM 0 HE2 TYR A 61 3.459 -11.373 0.574 1.00 0.00 H new ATOM 0 HH TYR A 61 3.149 -12.270 -1.422 1.00 0.00 H new ATOM 959 N SER A 62 -1.489 -10.469 2.368 1.00 0.00 N ATOM 960 CA SER A 62 -1.612 -11.896 2.637 1.00 0.00 C ATOM 961 C SER A 62 -1.929 -12.147 4.108 1.00 0.00 C ATOM 962 O SER A 62 -1.499 -13.144 4.687 1.00 0.00 O ATOM 963 CB SER A 62 -0.321 -12.622 2.251 1.00 0.00 C ATOM 964 OG SER A 62 -0.519 -14.025 2.204 1.00 0.00 O ATOM 0 H SER A 62 -2.099 -10.126 1.627 1.00 0.00 H new ATOM 0 HA SER A 62 -2.434 -12.284 2.035 1.00 0.00 H new ATOM 0 HB2 SER A 62 0.023 -12.267 1.279 1.00 0.00 H new ATOM 0 HB3 SER A 62 0.462 -12.386 2.972 1.00 0.00 H new ATOM 0 HG SER A 62 -0.954 -14.322 3.031 1.00 0.00 H new ATOM 970 N GLY A 63 -2.686 -11.233 4.708 1.00 0.00 N ATOM 971 CA GLY A 63 -3.049 -11.372 6.106 1.00 0.00 C ATOM 972 C GLY A 63 -1.945 -10.917 7.040 1.00 0.00 C ATOM 973 O GLY A 63 -2.113 -10.915 8.259 1.00 0.00 O ATOM 0 H GLY A 63 -3.054 -10.399 4.251 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.950 -10.791 6.304 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -3.290 -12.415 6.314 1.00 0.00 H new ATOM 977 N LYS A 64 -0.810 -10.531 6.467 1.00 0.00 N ATOM 978 CA LYS A 64 0.328 -10.071 7.255 1.00 0.00 C ATOM 979 C LYS A 64 0.331 -8.550 7.370 1.00 0.00 C ATOM 980 O LYS A 64 -0.398 -7.863 6.654 1.00 0.00 O ATOM 981 CB LYS A 64 1.638 -10.548 6.624 1.00 0.00 C ATOM 982 CG LYS A 64 1.957 -12.005 6.913 1.00 0.00 C ATOM 983 CD LYS A 64 3.337 -12.385 6.403 1.00 0.00 C ATOM 984 CE LYS A 64 3.281 -12.895 4.971 1.00 0.00 C ATOM 985 NZ LYS A 64 4.387 -13.848 4.678 1.00 0.00 N ATOM 0 H LYS A 64 -0.653 -10.528 5.459 1.00 0.00 H new ATOM 0 HA LYS A 64 0.239 -10.493 8.256 1.00 0.00 H new ATOM 0 HB2 LYS A 64 1.586 -10.403 5.545 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.455 -9.926 6.990 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.903 -12.184 7.987 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.207 -12.642 6.445 1.00 0.00 H new ATOM 0 HD2 LYS A 64 3.997 -11.519 6.456 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.766 -13.153 7.047 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.323 -13.386 4.797 1.00 0.00 H new ATOM 0 HE3 LYS A 64 3.336 -12.052 4.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.314 -14.173 3.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 5.301 -13.373 4.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 4.320 -14.665 5.318 1.00 0.00 H new ATOM 999 N ILE A 65 1.157 -8.031 8.272 1.00 0.00 N ATOM 1000 CA ILE A 65 1.256 -6.592 8.478 1.00 0.00 C ATOM 1001 C ILE A 65 2.626 -6.070 8.058 1.00 0.00 C ATOM 1002 O ILE A 65 3.551 -6.001 8.868 1.00 0.00 O ATOM 1003 CB ILE A 65 1.005 -6.214 9.950 1.00 0.00 C ATOM 1004 CG1 ILE A 65 -0.369 -6.715 10.400 1.00 0.00 C ATOM 1005 CG2 ILE A 65 1.113 -4.709 10.137 1.00 0.00 C ATOM 1006 CD1 ILE A 65 -1.520 -5.919 9.826 1.00 0.00 C ATOM 0 H ILE A 65 1.767 -8.586 8.872 1.00 0.00 H new ATOM 0 HA ILE A 65 0.487 -6.131 7.857 1.00 0.00 H new ATOM 0 HB ILE A 65 1.766 -6.692 10.567 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.479 -7.760 10.109 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -0.421 -6.680 11.488 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.933 -4.458 11.182 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.111 -4.378 9.851 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.372 -4.211 9.512 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.463 -6.330 10.187 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.434 -4.878 10.139 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -1.494 -5.974 8.738 1.00 0.00 H new ATOM 1018 N LEU A 66 2.748 -5.701 6.787 1.00 0.00 N ATOM 1019 CA LEU A 66 4.005 -5.183 6.259 1.00 0.00 C ATOM 1020 C LEU A 66 4.392 -3.881 6.953 1.00 0.00 C ATOM 1021 O LEU A 66 3.563 -2.988 7.128 1.00 0.00 O ATOM 1022 CB LEU A 66 3.891 -4.955 4.750 1.00 0.00 C ATOM 1023 CG LEU A 66 3.221 -6.074 3.952 1.00 0.00 C ATOM 1024 CD1 LEU A 66 3.195 -5.730 2.470 1.00 0.00 C ATOM 1025 CD2 LEU A 66 3.937 -7.397 4.182 1.00 0.00 C ATOM 0 H LEU A 66 1.992 -5.751 6.104 1.00 0.00 H new ATOM 0 HA LEU A 66 4.783 -5.921 6.452 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.334 -4.033 4.583 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.893 -4.800 4.349 1.00 0.00 H new ATOM 0 HG LEU A 66 2.193 -6.176 4.299 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.715 -6.537 1.917 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.637 -4.806 2.321 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.215 -5.600 2.109 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.446 -8.181 3.606 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.976 -7.309 3.863 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.903 -7.650 5.242 1.00 0.00 H new ATOM 1037 N LYS A 67 5.657 -3.779 7.345 1.00 0.00 N ATOM 1038 CA LYS A 67 6.157 -2.585 8.017 1.00 0.00 C ATOM 1039 C LYS A 67 6.948 -1.708 7.052 1.00 0.00 C ATOM 1040 O LYS A 67 7.133 -2.061 5.888 1.00 0.00 O ATOM 1041 CB LYS A 67 7.037 -2.976 9.207 1.00 0.00 C ATOM 1042 CG LYS A 67 6.264 -3.597 10.357 1.00 0.00 C ATOM 1043 CD LYS A 67 7.197 -4.187 11.401 1.00 0.00 C ATOM 1044 CE LYS A 67 6.423 -4.866 12.521 1.00 0.00 C ATOM 1045 NZ LYS A 67 5.854 -6.172 12.089 1.00 0.00 N ATOM 0 H LYS A 67 6.356 -4.509 7.209 1.00 0.00 H new ATOM 0 HA LYS A 67 5.300 -2.016 8.378 1.00 0.00 H new ATOM 0 HB2 LYS A 67 7.798 -3.680 8.870 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.560 -2.090 9.568 1.00 0.00 H new ATOM 0 HG2 LYS A 67 5.629 -2.841 10.820 1.00 0.00 H new ATOM 0 HG3 LYS A 67 5.605 -4.376 9.975 1.00 0.00 H new ATOM 0 HD2 LYS A 67 7.863 -4.909 10.929 1.00 0.00 H new ATOM 0 HD3 LYS A 67 7.824 -3.399 11.817 1.00 0.00 H new ATOM 0 HE2 LYS A 67 7.082 -5.022 13.375 1.00 0.00 H new ATOM 0 HE3 LYS A 67 5.618 -4.212 12.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 5.363 -6.619 12.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 5.180 -6.017 11.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 6.621 -6.794 11.763 1.00 0.00 H new ATOM 1059 N ASN A 68 7.413 -0.565 7.544 1.00 0.00 N ATOM 1060 CA ASN A 68 8.185 0.362 6.725 1.00 0.00 C ATOM 1061 C ASN A 68 9.595 -0.169 6.485 1.00 0.00 C ATOM 1062 O ASN A 68 10.054 -0.250 5.346 1.00 0.00 O ATOM 1063 CB ASN A 68 8.252 1.735 7.397 1.00 0.00 C ATOM 1064 CG ASN A 68 8.641 1.645 8.860 1.00 0.00 C ATOM 1065 OD1 ASN A 68 8.096 0.835 9.609 1.00 0.00 O ATOM 1066 ND2 ASN A 68 9.589 2.478 9.272 1.00 0.00 N ATOM 0 H ASN A 68 7.269 -0.258 8.506 1.00 0.00 H new ATOM 0 HA ASN A 68 7.684 0.461 5.762 1.00 0.00 H new ATOM 0 HB2 ASN A 68 8.973 2.359 6.870 1.00 0.00 H new ATOM 0 HB3 ASN A 68 7.283 2.226 7.311 1.00 0.00 H new ATOM 0 HD21 ASN A 68 9.893 2.463 10.245 1.00 0.00 H new ATOM 0 HD22 ASN A 68 10.013 3.133 8.615 1.00 0.00 H new ATOM 1073 N ASN A 69 10.278 -0.530 7.567 1.00 0.00 N ATOM 1074 CA ASN A 69 11.636 -1.053 7.475 1.00 0.00 C ATOM 1075 C ASN A 69 11.644 -2.433 6.824 1.00 0.00 C ATOM 1076 O ASN A 69 12.703 -2.976 6.512 1.00 0.00 O ATOM 1077 CB ASN A 69 12.271 -1.128 8.864 1.00 0.00 C ATOM 1078 CG ASN A 69 12.957 0.166 9.257 1.00 0.00 C ATOM 1079 OD1 ASN A 69 14.013 0.508 8.725 1.00 0.00 O ATOM 1080 ND2 ASN A 69 12.358 0.892 10.194 1.00 0.00 N ATOM 0 H ASN A 69 9.913 -0.470 8.518 1.00 0.00 H new ATOM 0 HA ASN A 69 12.219 -0.374 6.853 1.00 0.00 H new ATOM 0 HB2 ASN A 69 11.503 -1.366 9.599 1.00 0.00 H new ATOM 0 HB3 ASN A 69 12.996 -1.942 8.885 1.00 0.00 H new ATOM 0 HD21 ASN A 69 12.773 1.772 10.500 1.00 0.00 H new ATOM 0 HD22 ASN A 69 11.483 0.569 10.608 1.00 0.00 H new ATOM 1087 N GLU A 70 10.455 -2.993 6.623 1.00 0.00 N ATOM 1088 CA GLU A 70 10.327 -4.310 6.010 1.00 0.00 C ATOM 1089 C GLU A 70 10.555 -4.233 4.503 1.00 0.00 C ATOM 1090 O GLU A 70 10.637 -3.146 3.930 1.00 0.00 O ATOM 1091 CB GLU A 70 8.944 -4.898 6.298 1.00 0.00 C ATOM 1092 CG GLU A 70 8.835 -5.557 7.662 1.00 0.00 C ATOM 1093 CD GLU A 70 9.521 -6.909 7.713 1.00 0.00 C ATOM 1094 OE1 GLU A 70 8.967 -7.876 7.150 1.00 0.00 O ATOM 1095 OE2 GLU A 70 10.610 -6.999 8.317 1.00 0.00 O ATOM 0 H GLU A 70 9.568 -2.556 6.875 1.00 0.00 H new ATOM 0 HA GLU A 70 11.088 -4.960 6.442 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.199 -4.105 6.226 1.00 0.00 H new ATOM 0 HB3 GLU A 70 8.703 -5.632 5.529 1.00 0.00 H new ATOM 0 HG2 GLU A 70 9.275 -4.902 8.414 1.00 0.00 H new ATOM 0 HG3 GLU A 70 7.783 -5.678 7.920 1.00 0.00 H new ATOM 1102 N THR A 71 10.657 -5.395 3.865 1.00 0.00 N ATOM 1103 CA THR A 71 10.877 -5.461 2.426 1.00 0.00 C ATOM 1104 C THR A 71 10.021 -6.549 1.788 1.00 0.00 C ATOM 1105 O THR A 71 9.755 -7.584 2.401 1.00 0.00 O ATOM 1106 CB THR A 71 12.357 -5.729 2.096 1.00 0.00 C ATOM 1107 OG1 THR A 71 13.197 -5.120 3.083 1.00 0.00 O ATOM 1108 CG2 THR A 71 12.711 -5.190 0.718 1.00 0.00 C ATOM 0 H THR A 71 10.591 -6.304 4.323 1.00 0.00 H new ATOM 0 HA THR A 71 10.591 -4.492 2.018 1.00 0.00 H new ATOM 0 HB THR A 71 12.517 -6.807 2.098 1.00 0.00 H new ATOM 0 HG1 THR A 71 14.136 -5.296 2.867 1.00 0.00 H new ATOM 0 HG21 THR A 71 13.761 -5.391 0.507 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.090 -5.677 -0.034 1.00 0.00 H new ATOM 0 HG23 THR A 71 12.535 -4.115 0.692 1.00 0.00 H new ATOM 1116 N LEU A 72 9.591 -6.309 0.554 1.00 0.00 N ATOM 1117 CA LEU A 72 8.765 -7.270 -0.169 1.00 0.00 C ATOM 1118 C LEU A 72 9.471 -8.617 -0.285 1.00 0.00 C ATOM 1119 O LEU A 72 8.932 -9.649 0.114 1.00 0.00 O ATOM 1120 CB LEU A 72 8.428 -6.736 -1.562 1.00 0.00 C ATOM 1121 CG LEU A 72 7.401 -5.605 -1.617 1.00 0.00 C ATOM 1122 CD1 LEU A 72 6.189 -5.941 -0.761 1.00 0.00 C ATOM 1123 CD2 LEU A 72 8.028 -4.294 -1.164 1.00 0.00 C ATOM 0 H LEU A 72 9.801 -5.457 0.033 1.00 0.00 H new ATOM 0 HA LEU A 72 7.841 -7.412 0.392 1.00 0.00 H new ATOM 0 HB2 LEU A 72 9.349 -6.386 -2.028 1.00 0.00 H new ATOM 0 HB3 LEU A 72 8.059 -7.564 -2.167 1.00 0.00 H new ATOM 0 HG LEU A 72 7.070 -5.490 -2.649 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.469 -5.124 -0.813 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.726 -6.857 -1.129 1.00 0.00 H new ATOM 0 HD13 LEU A 72 6.502 -6.083 0.273 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.283 -3.500 -1.209 1.00 0.00 H new ATOM 0 HD22 LEU A 72 8.387 -4.397 -0.140 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.864 -4.045 -1.818 1.00 0.00 H new ATOM 1135 N VAL A 73 10.683 -8.599 -0.832 1.00 0.00 N ATOM 1136 CA VAL A 73 11.465 -9.818 -0.998 1.00 0.00 C ATOM 1137 C VAL A 73 11.525 -10.614 0.301 1.00 0.00 C ATOM 1138 O VAL A 73 11.465 -11.843 0.291 1.00 0.00 O ATOM 1139 CB VAL A 73 12.900 -9.506 -1.462 1.00 0.00 C ATOM 1140 CG1 VAL A 73 12.904 -9.048 -2.913 1.00 0.00 C ATOM 1141 CG2 VAL A 73 13.534 -8.457 -0.562 1.00 0.00 C ATOM 0 H VAL A 73 11.144 -7.753 -1.168 1.00 0.00 H new ATOM 0 HA VAL A 73 10.965 -10.412 -1.763 1.00 0.00 H new ATOM 0 HB VAL A 73 13.493 -10.418 -1.392 1.00 0.00 H new ATOM 0 HG11 VAL A 73 13.926 -8.832 -3.224 1.00 0.00 H new ATOM 0 HG12 VAL A 73 12.492 -9.835 -3.544 1.00 0.00 H new ATOM 0 HG13 VAL A 73 12.297 -8.148 -3.012 1.00 0.00 H new ATOM 0 HG21 VAL A 73 14.548 -8.249 -0.904 1.00 0.00 H new ATOM 0 HG22 VAL A 73 12.943 -7.542 -0.598 1.00 0.00 H new ATOM 0 HG23 VAL A 73 13.566 -8.828 0.462 1.00 0.00 H new ATOM 1151 N GLN A 74 11.642 -9.904 1.419 1.00 0.00 N ATOM 1152 CA GLN A 74 11.710 -10.544 2.727 1.00 0.00 C ATOM 1153 C GLN A 74 10.428 -11.316 3.022 1.00 0.00 C ATOM 1154 O GLN A 74 10.449 -12.333 3.716 1.00 0.00 O ATOM 1155 CB GLN A 74 11.953 -9.500 3.817 1.00 0.00 C ATOM 1156 CG GLN A 74 13.407 -9.072 3.937 1.00 0.00 C ATOM 1157 CD GLN A 74 14.325 -10.222 4.304 1.00 0.00 C ATOM 1158 OE1 GLN A 74 14.232 -10.780 5.398 1.00 0.00 O ATOM 1159 NE2 GLN A 74 15.217 -10.583 3.390 1.00 0.00 N ATOM 0 H GLN A 74 11.692 -8.886 1.445 1.00 0.00 H new ATOM 0 HA GLN A 74 12.542 -11.248 2.717 1.00 0.00 H new ATOM 0 HB2 GLN A 74 11.341 -8.622 3.611 1.00 0.00 H new ATOM 0 HB3 GLN A 74 11.621 -9.902 4.774 1.00 0.00 H new ATOM 0 HG2 GLN A 74 13.734 -8.639 2.992 1.00 0.00 H new ATOM 0 HG3 GLN A 74 13.491 -8.290 4.692 1.00 0.00 H new ATOM 0 HE21 GLN A 74 15.259 -10.093 2.497 1.00 0.00 H new ATOM 0 HE22 GLN A 74 15.861 -11.351 3.581 1.00 0.00 H new ATOM 1168 N HIS A 75 9.312 -10.826 2.492 1.00 0.00 N ATOM 1169 CA HIS A 75 8.020 -11.470 2.699 1.00 0.00 C ATOM 1170 C HIS A 75 7.794 -12.576 1.672 1.00 0.00 C ATOM 1171 O HIS A 75 6.921 -13.426 1.843 1.00 0.00 O ATOM 1172 CB HIS A 75 6.893 -10.440 2.612 1.00 0.00 C ATOM 1173 CG HIS A 75 6.568 -9.797 3.925 1.00 0.00 C ATOM 1174 ND1 HIS A 75 5.747 -10.380 4.866 1.00 0.00 N ATOM 1175 CD2 HIS A 75 6.960 -8.613 4.452 1.00 0.00 C ATOM 1176 CE1 HIS A 75 5.646 -9.583 5.915 1.00 0.00 C ATOM 1177 NE2 HIS A 75 6.373 -8.504 5.689 1.00 0.00 N ATOM 0 H HIS A 75 9.276 -9.985 1.916 1.00 0.00 H new ATOM 0 HA HIS A 75 8.019 -11.916 3.694 1.00 0.00 H new ATOM 0 HB2 HIS A 75 7.173 -9.666 1.897 1.00 0.00 H new ATOM 0 HB3 HIS A 75 5.998 -10.925 2.223 1.00 0.00 H new ATOM 0 HD2 HIS A 75 7.613 -7.889 3.987 1.00 0.00 H new ATOM 0 HE1 HIS A 75 5.068 -9.780 6.805 1.00 0.00 H new ATOM 0 HE2 HIS A 75 6.481 -7.717 6.329 1.00 0.00 H new ATOM 1186 N GLY A 76 8.587 -12.558 0.605 1.00 0.00 N ATOM 1187 CA GLY A 76 8.457 -13.564 -0.433 1.00 0.00 C ATOM 1188 C GLY A 76 7.834 -13.012 -1.700 1.00 0.00 C ATOM 1189 O GLY A 76 6.756 -13.444 -2.109 1.00 0.00 O ATOM 0 H GLY A 76 9.317 -11.865 0.441 1.00 0.00 H new ATOM 0 HA2 GLY A 76 9.441 -13.973 -0.664 1.00 0.00 H new ATOM 0 HA3 GLY A 76 7.848 -14.388 -0.062 1.00 0.00 H new ATOM 1193 N VAL A 77 8.512 -12.053 -2.322 1.00 0.00 N ATOM 1194 CA VAL A 77 8.019 -11.441 -3.549 1.00 0.00 C ATOM 1195 C VAL A 77 9.114 -11.372 -4.608 1.00 0.00 C ATOM 1196 O VAL A 77 10.225 -10.914 -4.340 1.00 0.00 O ATOM 1197 CB VAL A 77 7.480 -10.021 -3.291 1.00 0.00 C ATOM 1198 CG1 VAL A 77 6.926 -9.419 -4.573 1.00 0.00 C ATOM 1199 CG2 VAL A 77 6.419 -10.044 -2.201 1.00 0.00 C ATOM 0 H VAL A 77 9.405 -11.683 -1.996 1.00 0.00 H new ATOM 0 HA VAL A 77 7.206 -12.070 -3.911 1.00 0.00 H new ATOM 0 HB VAL A 77 8.304 -9.394 -2.951 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.550 -8.416 -4.371 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.717 -9.366 -5.321 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.114 -10.043 -4.947 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.049 -9.033 -2.032 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.594 -10.685 -2.510 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.853 -10.431 -1.279 1.00 0.00 H new ATOM 1209 N LYS A 78 8.793 -11.830 -5.813 1.00 0.00 N ATOM 1210 CA LYS A 78 9.747 -11.820 -6.915 1.00 0.00 C ATOM 1211 C LYS A 78 9.513 -10.620 -7.827 1.00 0.00 C ATOM 1212 O LYS A 78 8.430 -10.035 -7.858 1.00 0.00 O ATOM 1213 CB LYS A 78 9.640 -13.116 -7.723 1.00 0.00 C ATOM 1214 CG LYS A 78 10.532 -14.230 -7.205 1.00 0.00 C ATOM 1215 CD LYS A 78 10.124 -15.580 -7.772 1.00 0.00 C ATOM 1216 CE LYS A 78 10.597 -16.722 -6.886 1.00 0.00 C ATOM 1217 NZ LYS A 78 12.041 -17.023 -7.092 1.00 0.00 N ATOM 0 H LYS A 78 7.878 -12.213 -6.051 1.00 0.00 H new ATOM 0 HA LYS A 78 10.749 -11.744 -6.493 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.605 -13.456 -7.713 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.897 -12.909 -8.762 1.00 0.00 H new ATOM 0 HG2 LYS A 78 11.568 -14.021 -7.471 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.482 -14.261 -6.117 1.00 0.00 H new ATOM 0 HD2 LYS A 78 9.039 -15.621 -7.872 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.541 -15.697 -8.772 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.425 -16.466 -5.841 1.00 0.00 H new ATOM 0 HE3 LYS A 78 10.007 -17.614 -7.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 12.324 -17.807 -6.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 12.201 -17.292 -8.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 12.607 -16.180 -6.866 1.00 0.00 H new ATOM 1231 N PRO A 79 10.551 -10.242 -8.589 1.00 0.00 N ATOM 1232 CA PRO A 79 10.481 -9.110 -9.517 1.00 0.00 C ATOM 1233 C PRO A 79 9.581 -9.395 -10.713 1.00 0.00 C ATOM 1234 O PRO A 79 9.486 -10.533 -11.172 1.00 0.00 O ATOM 1235 CB PRO A 79 11.933 -8.933 -9.970 1.00 0.00 C ATOM 1236 CG PRO A 79 12.551 -10.277 -9.795 1.00 0.00 C ATOM 1237 CD PRO A 79 11.872 -10.893 -8.603 1.00 0.00 C ATOM 0 HA PRO A 79 10.055 -8.224 -9.047 1.00 0.00 H new ATOM 0 HB2 PRO A 79 11.987 -8.605 -11.008 1.00 0.00 H new ATOM 0 HB3 PRO A 79 12.446 -8.180 -9.371 1.00 0.00 H new ATOM 0 HG2 PRO A 79 12.410 -10.890 -10.685 1.00 0.00 H new ATOM 0 HG3 PRO A 79 13.626 -10.194 -9.632 1.00 0.00 H new ATOM 0 HD2 PRO A 79 11.786 -11.975 -8.704 1.00 0.00 H new ATOM 0 HD3 PRO A 79 12.424 -10.702 -7.683 1.00 0.00 H new ATOM 1245 N GLN A 80 8.922 -8.355 -11.214 1.00 0.00 N ATOM 1246 CA GLN A 80 8.029 -8.496 -12.358 1.00 0.00 C ATOM 1247 C GLN A 80 6.873 -9.436 -12.033 1.00 0.00 C ATOM 1248 O GLN A 80 6.461 -10.240 -12.869 1.00 0.00 O ATOM 1249 CB GLN A 80 8.799 -9.016 -13.572 1.00 0.00 C ATOM 1250 CG GLN A 80 9.479 -7.920 -14.377 1.00 0.00 C ATOM 1251 CD GLN A 80 9.728 -8.323 -15.817 1.00 0.00 C ATOM 1252 OE1 GLN A 80 8.837 -8.836 -16.494 1.00 0.00 O ATOM 1253 NE2 GLN A 80 10.946 -8.092 -16.294 1.00 0.00 N ATOM 0 H GLN A 80 8.990 -7.406 -10.846 1.00 0.00 H new ATOM 0 HA GLN A 80 7.620 -7.513 -12.591 1.00 0.00 H new ATOM 0 HB2 GLN A 80 9.552 -9.729 -13.236 1.00 0.00 H new ATOM 0 HB3 GLN A 80 8.113 -9.560 -14.221 1.00 0.00 H new ATOM 0 HG2 GLN A 80 8.861 -7.023 -14.357 1.00 0.00 H new ATOM 0 HG3 GLN A 80 10.428 -7.664 -13.906 1.00 0.00 H new ATOM 0 HE21 GLN A 80 11.655 -7.665 -15.698 1.00 0.00 H new ATOM 0 HE22 GLN A 80 11.173 -8.342 -17.257 1.00 0.00 H new ATOM 1262 N GLU A 81 6.353 -9.329 -10.814 1.00 0.00 N ATOM 1263 CA GLU A 81 5.245 -10.171 -10.380 1.00 0.00 C ATOM 1264 C GLU A 81 4.057 -9.322 -9.939 1.00 0.00 C ATOM 1265 O GLU A 81 4.206 -8.139 -9.630 1.00 0.00 O ATOM 1266 CB GLU A 81 5.687 -11.083 -9.233 1.00 0.00 C ATOM 1267 CG GLU A 81 5.484 -10.473 -7.857 1.00 0.00 C ATOM 1268 CD GLU A 81 5.773 -11.452 -6.736 1.00 0.00 C ATOM 1269 OE1 GLU A 81 6.443 -12.473 -6.997 1.00 0.00 O ATOM 1270 OE2 GLU A 81 5.328 -11.198 -5.597 1.00 0.00 O ATOM 0 H GLU A 81 6.681 -8.668 -10.110 1.00 0.00 H new ATOM 0 HA GLU A 81 4.937 -10.786 -11.226 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.133 -12.020 -9.291 1.00 0.00 H new ATOM 0 HB3 GLU A 81 6.741 -11.328 -9.361 1.00 0.00 H new ATOM 0 HG2 GLU A 81 6.132 -9.603 -7.750 1.00 0.00 H new ATOM 0 HG3 GLU A 81 4.457 -10.118 -7.769 1.00 0.00 H new ATOM 1277 N ILE A 82 2.877 -9.933 -9.913 1.00 0.00 N ATOM 1278 CA ILE A 82 1.664 -9.234 -9.509 1.00 0.00 C ATOM 1279 C ILE A 82 1.214 -9.671 -8.119 1.00 0.00 C ATOM 1280 O ILE A 82 1.252 -10.855 -7.786 1.00 0.00 O ATOM 1281 CB ILE A 82 0.516 -9.476 -10.508 1.00 0.00 C ATOM 1282 CG1 ILE A 82 0.898 -8.952 -11.894 1.00 0.00 C ATOM 1283 CG2 ILE A 82 -0.762 -8.812 -10.017 1.00 0.00 C ATOM 1284 CD1 ILE A 82 -0.044 -9.399 -12.989 1.00 0.00 C ATOM 0 H ILE A 82 2.736 -10.911 -10.167 1.00 0.00 H new ATOM 0 HA ILE A 82 1.903 -8.171 -9.493 1.00 0.00 H new ATOM 0 HB ILE A 82 0.339 -10.549 -10.583 1.00 0.00 H new ATOM 0 HG12 ILE A 82 0.921 -7.863 -11.868 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.907 -9.287 -12.135 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.564 -8.992 -10.733 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -1.040 -9.229 -9.049 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -0.599 -7.739 -9.917 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.288 -8.991 -13.944 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -0.049 -10.488 -13.042 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.050 -9.041 -12.772 1.00 0.00 H new ATOM 1296 N VAL A 83 0.785 -8.706 -7.312 1.00 0.00 N ATOM 1297 CA VAL A 83 0.324 -8.990 -5.958 1.00 0.00 C ATOM 1298 C VAL A 83 -0.923 -8.181 -5.620 1.00 0.00 C ATOM 1299 O VAL A 83 -1.444 -7.448 -6.460 1.00 0.00 O ATOM 1300 CB VAL A 83 1.418 -8.685 -4.917 1.00 0.00 C ATOM 1301 CG1 VAL A 83 2.712 -9.400 -5.277 1.00 0.00 C ATOM 1302 CG2 VAL A 83 1.641 -7.185 -4.804 1.00 0.00 C ATOM 0 H VAL A 83 0.747 -7.721 -7.572 1.00 0.00 H new ATOM 0 HA VAL A 83 0.084 -10.053 -5.922 1.00 0.00 H new ATOM 0 HB VAL A 83 1.086 -9.054 -3.947 1.00 0.00 H new ATOM 0 HG11 VAL A 83 3.473 -9.173 -4.531 1.00 0.00 H new ATOM 0 HG12 VAL A 83 2.538 -10.476 -5.302 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.053 -9.064 -6.256 1.00 0.00 H new ATOM 0 HG21 VAL A 83 2.417 -6.987 -4.064 1.00 0.00 H new ATOM 0 HG22 VAL A 83 1.952 -6.790 -5.771 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.714 -6.702 -4.496 1.00 0.00 H new ATOM 1312 N GLN A 84 -1.396 -8.321 -4.386 1.00 0.00 N ATOM 1313 CA GLN A 84 -2.583 -7.602 -3.938 1.00 0.00 C ATOM 1314 C GLN A 84 -2.465 -7.221 -2.466 1.00 0.00 C ATOM 1315 O GLN A 84 -2.431 -8.087 -1.591 1.00 0.00 O ATOM 1316 CB GLN A 84 -3.834 -8.455 -4.158 1.00 0.00 C ATOM 1317 CG GLN A 84 -5.133 -7.700 -3.923 1.00 0.00 C ATOM 1318 CD GLN A 84 -6.357 -8.524 -4.271 1.00 0.00 C ATOM 1319 OE1 GLN A 84 -6.269 -9.509 -5.005 1.00 0.00 O ATOM 1320 NE2 GLN A 84 -7.509 -8.125 -3.744 1.00 0.00 N ATOM 0 H GLN A 84 -0.976 -8.925 -3.679 1.00 0.00 H new ATOM 0 HA GLN A 84 -2.667 -6.688 -4.525 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -3.826 -8.840 -5.178 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -3.798 -9.317 -3.491 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -5.189 -7.397 -2.877 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -5.132 -6.788 -4.520 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -7.536 -7.303 -3.141 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -8.366 -8.641 -3.942 1.00 0.00 H new ATOM 1329 N VAL A 85 -2.404 -5.921 -2.199 1.00 0.00 N ATOM 1330 CA VAL A 85 -2.291 -5.425 -0.833 1.00 0.00 C ATOM 1331 C VAL A 85 -3.490 -4.560 -0.461 1.00 0.00 C ATOM 1332 O VAL A 85 -4.266 -4.153 -1.325 1.00 0.00 O ATOM 1333 CB VAL A 85 -1.001 -4.605 -0.638 1.00 0.00 C ATOM 1334 CG1 VAL A 85 0.218 -5.431 -1.018 1.00 0.00 C ATOM 1335 CG2 VAL A 85 -1.059 -3.320 -1.450 1.00 0.00 C ATOM 0 H VAL A 85 -2.431 -5.191 -2.911 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.260 -6.298 -0.181 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.916 -4.338 0.415 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.120 -4.836 -0.874 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.266 -6.320 -0.389 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.144 -5.730 -2.064 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.140 -2.753 -1.300 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.168 -3.562 -2.507 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.911 -2.722 -1.125 1.00 0.00 H new ATOM 1345 N GLU A 86 -3.636 -4.283 0.831 1.00 0.00 N ATOM 1346 CA GLU A 86 -4.742 -3.467 1.317 1.00 0.00 C ATOM 1347 C GLU A 86 -4.233 -2.336 2.207 1.00 0.00 C ATOM 1348 O GLU A 86 -3.287 -2.514 2.975 1.00 0.00 O ATOM 1349 CB GLU A 86 -5.740 -4.330 2.091 1.00 0.00 C ATOM 1350 CG GLU A 86 -6.697 -5.102 1.199 1.00 0.00 C ATOM 1351 CD GLU A 86 -6.105 -6.406 0.700 1.00 0.00 C ATOM 1352 OE1 GLU A 86 -5.365 -7.054 1.470 1.00 0.00 O ATOM 1353 OE2 GLU A 86 -6.381 -6.778 -0.459 1.00 0.00 O ATOM 0 H GLU A 86 -3.002 -4.612 1.560 1.00 0.00 H new ATOM 0 HA GLU A 86 -5.244 -3.030 0.454 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -5.191 -5.034 2.716 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -6.316 -3.692 2.761 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -7.614 -5.311 1.751 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -6.973 -4.482 0.346 1.00 0.00 H new ATOM 1360 N ILE A 87 -4.867 -1.173 2.096 1.00 0.00 N ATOM 1361 CA ILE A 87 -4.479 -0.014 2.890 1.00 0.00 C ATOM 1362 C ILE A 87 -5.626 0.450 3.781 1.00 0.00 C ATOM 1363 O ILE A 87 -6.762 0.592 3.327 1.00 0.00 O ATOM 1364 CB ILE A 87 -4.033 1.157 1.995 1.00 0.00 C ATOM 1365 CG1 ILE A 87 -2.641 0.887 1.420 1.00 0.00 C ATOM 1366 CG2 ILE A 87 -4.044 2.459 2.783 1.00 0.00 C ATOM 1367 CD1 ILE A 87 -2.140 1.987 0.510 1.00 0.00 C ATOM 0 H ILE A 87 -5.651 -1.009 1.464 1.00 0.00 H new ATOM 0 HA ILE A 87 -3.640 -0.324 3.513 1.00 0.00 H new ATOM 0 HB ILE A 87 -4.735 1.250 1.167 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -1.936 0.757 2.241 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -2.661 -0.051 0.866 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.726 3.278 2.137 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -5.052 2.655 3.148 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -3.361 2.378 3.629 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -1.148 1.729 0.139 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -2.823 2.103 -0.331 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -2.087 2.923 1.066 1.00 0.00 H new ATOM 1379 N PHE A 88 -5.322 0.686 5.053 1.00 0.00 N ATOM 1380 CA PHE A 88 -6.327 1.136 6.009 1.00 0.00 C ATOM 1381 C PHE A 88 -5.677 1.881 7.171 1.00 0.00 C ATOM 1382 O PHE A 88 -4.469 1.787 7.385 1.00 0.00 O ATOM 1383 CB PHE A 88 -7.128 -0.056 6.538 1.00 0.00 C ATOM 1384 CG PHE A 88 -6.342 -0.945 7.459 1.00 0.00 C ATOM 1385 CD1 PHE A 88 -6.030 -0.529 8.744 1.00 0.00 C ATOM 1386 CD2 PHE A 88 -5.917 -2.196 7.042 1.00 0.00 C ATOM 1387 CE1 PHE A 88 -5.306 -1.345 9.594 1.00 0.00 C ATOM 1388 CE2 PHE A 88 -5.194 -3.016 7.888 1.00 0.00 C ATOM 1389 CZ PHE A 88 -4.889 -2.590 9.166 1.00 0.00 C ATOM 0 H PHE A 88 -4.387 0.573 5.446 1.00 0.00 H new ATOM 0 HA PHE A 88 -7.002 1.819 5.494 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -8.008 0.313 7.065 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -7.486 -0.646 5.694 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -6.356 0.443 9.085 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -6.153 -2.535 6.044 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -5.067 -1.009 10.592 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -4.868 -3.989 7.550 1.00 0.00 H new ATOM 0 HZ PHE A 88 -4.325 -3.229 9.829 1.00 0.00 H new ATOM 1399 N SER A 89 -6.489 2.624 7.918 1.00 0.00 N ATOM 1400 CA SER A 89 -5.994 3.390 9.055 1.00 0.00 C ATOM 1401 C SER A 89 -6.493 2.796 10.369 1.00 0.00 C ATOM 1402 O SER A 89 -7.697 2.650 10.581 1.00 0.00 O ATOM 1403 CB SER A 89 -6.433 4.851 8.944 1.00 0.00 C ATOM 1404 OG SER A 89 -5.491 5.715 9.555 1.00 0.00 O ATOM 0 H SER A 89 -7.492 2.711 7.755 1.00 0.00 H new ATOM 0 HA SER A 89 -4.905 3.344 9.045 1.00 0.00 H new ATOM 0 HB2 SER A 89 -6.550 5.120 7.894 1.00 0.00 H new ATOM 0 HB3 SER A 89 -7.407 4.978 9.416 1.00 0.00 H new ATOM 0 HG SER A 89 -5.881 6.609 9.650 1.00 0.00 H new ATOM 1410 N THR A 90 -5.558 2.454 11.250 1.00 0.00 N ATOM 1411 CA THR A 90 -5.901 1.875 12.543 1.00 0.00 C ATOM 1412 C THR A 90 -6.835 2.790 13.325 1.00 0.00 C ATOM 1413 O THR A 90 -7.713 2.324 14.050 1.00 0.00 O ATOM 1414 CB THR A 90 -4.642 1.602 13.388 1.00 0.00 C ATOM 1415 OG1 THR A 90 -3.942 2.826 13.633 1.00 0.00 O ATOM 1416 CG2 THR A 90 -3.721 0.617 12.684 1.00 0.00 C ATOM 0 H THR A 90 -4.557 2.568 11.091 1.00 0.00 H new ATOM 0 HA THR A 90 -6.407 0.931 12.342 1.00 0.00 H new ATOM 0 HB THR A 90 -4.955 1.167 14.337 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.396 3.053 12.852 1.00 0.00 H new ATOM 0 HG21 THR A 90 -2.839 0.440 13.300 1.00 0.00 H new ATOM 0 HG22 THR A 90 -4.248 -0.324 12.525 1.00 0.00 H new ATOM 0 HG23 THR A 90 -3.415 1.028 11.722 1.00 0.00 H new ATOM 1424 N ASN A 91 -6.641 4.096 13.172 1.00 0.00 N ATOM 1425 CA ASN A 91 -7.468 5.078 13.865 1.00 0.00 C ATOM 1426 C ASN A 91 -8.291 5.893 12.873 1.00 0.00 C ATOM 1427 O ASN A 91 -7.953 7.027 12.532 1.00 0.00 O ATOM 1428 CB ASN A 91 -6.593 6.009 14.707 1.00 0.00 C ATOM 1429 CG ASN A 91 -6.379 5.487 16.114 1.00 0.00 C ATOM 1430 OD1 ASN A 91 -5.731 4.460 16.315 1.00 0.00 O ATOM 1431 ND2 ASN A 91 -6.925 6.193 17.097 1.00 0.00 N ATOM 0 H ASN A 91 -5.919 4.499 12.575 1.00 0.00 H new ATOM 0 HA ASN A 91 -8.152 4.541 14.522 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -5.627 6.135 14.219 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -7.057 6.994 14.755 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -6.815 5.890 18.065 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -7.454 7.039 16.885 1.00 0.00 H new ATOM 1438 N PRO A 92 -9.398 5.304 12.397 1.00 0.00 N ATOM 1439 CA PRO A 92 -10.293 5.958 11.438 1.00 0.00 C ATOM 1440 C PRO A 92 -11.060 7.120 12.060 1.00 0.00 C ATOM 1441 O PRO A 92 -11.571 7.989 11.353 1.00 0.00 O ATOM 1442 CB PRO A 92 -11.254 4.839 11.030 1.00 0.00 C ATOM 1443 CG PRO A 92 -11.249 3.896 12.183 1.00 0.00 C ATOM 1444 CD PRO A 92 -9.861 3.954 12.759 1.00 0.00 C ATOM 0 HA PRO A 92 -9.746 6.394 10.602 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -12.255 5.227 10.840 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -10.923 4.347 10.115 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -11.992 4.184 12.926 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -11.496 2.884 11.861 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -9.868 3.808 13.839 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -9.218 3.182 12.337 1.00 0.00 H new ATOM 1452 N ASP A 93 -11.138 7.129 13.386 1.00 0.00 N ATOM 1453 CA ASP A 93 -11.842 8.185 14.104 1.00 0.00 C ATOM 1454 C ASP A 93 -10.994 9.451 14.177 1.00 0.00 C ATOM 1455 O ASP A 93 -11.518 10.565 14.136 1.00 0.00 O ATOM 1456 CB ASP A 93 -12.205 7.718 15.514 1.00 0.00 C ATOM 1457 CG ASP A 93 -13.203 6.576 15.506 1.00 0.00 C ATOM 1458 OD1 ASP A 93 -14.245 6.703 14.829 1.00 0.00 O ATOM 1459 OD2 ASP A 93 -12.941 5.556 16.176 1.00 0.00 O ATOM 0 H ASP A 93 -10.722 6.416 13.986 1.00 0.00 H new ATOM 0 HA ASP A 93 -12.758 8.413 13.558 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -11.300 7.402 16.033 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -12.619 8.555 16.076 1.00 0.00 H new ATOM 1464 N LEU A 94 -9.682 9.272 14.286 1.00 0.00 N ATOM 1465 CA LEU A 94 -8.760 10.401 14.366 1.00 0.00 C ATOM 1466 C LEU A 94 -8.236 10.774 12.984 1.00 0.00 C ATOM 1467 O LEU A 94 -8.218 11.948 12.612 1.00 0.00 O ATOM 1468 CB LEU A 94 -7.592 10.065 15.295 1.00 0.00 C ATOM 1469 CG LEU A 94 -7.818 10.334 16.783 1.00 0.00 C ATOM 1470 CD1 LEU A 94 -6.687 9.742 17.610 1.00 0.00 C ATOM 1471 CD2 LEU A 94 -7.946 11.828 17.042 1.00 0.00 C ATOM 0 H LEU A 94 -9.233 8.357 14.321 1.00 0.00 H new ATOM 0 HA LEU A 94 -9.303 11.255 14.770 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.347 9.010 15.170 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -6.721 10.635 14.972 1.00 0.00 H new ATOM 0 HG LEU A 94 -8.749 9.853 17.082 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.865 9.943 18.666 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.643 8.665 17.448 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.741 10.193 17.309 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.106 12.000 18.106 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.032 12.332 16.727 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.791 12.224 16.479 1.00 0.00 H new ATOM 1483 N TYR A 95 -7.811 9.769 12.226 1.00 0.00 N ATOM 1484 CA TYR A 95 -7.286 9.991 10.885 1.00 0.00 C ATOM 1485 C TYR A 95 -7.903 9.014 9.889 1.00 0.00 C ATOM 1486 O TYR A 95 -7.291 8.022 9.492 1.00 0.00 O ATOM 1487 CB TYR A 95 -5.763 9.847 10.880 1.00 0.00 C ATOM 1488 CG TYR A 95 -5.075 10.654 11.958 1.00 0.00 C ATOM 1489 CD1 TYR A 95 -4.700 11.973 11.733 1.00 0.00 C ATOM 1490 CD2 TYR A 95 -4.800 10.098 13.201 1.00 0.00 C ATOM 1491 CE1 TYR A 95 -4.071 12.714 12.715 1.00 0.00 C ATOM 1492 CE2 TYR A 95 -4.172 10.832 14.189 1.00 0.00 C ATOM 1493 CZ TYR A 95 -3.810 12.139 13.941 1.00 0.00 C ATOM 1494 OH TYR A 95 -3.183 12.873 14.922 1.00 0.00 O ATOM 0 H TYR A 95 -7.820 8.792 12.518 1.00 0.00 H new ATOM 0 HA TYR A 95 -7.550 11.005 10.583 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -5.505 8.795 11.005 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -5.380 10.155 9.907 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -4.904 12.427 10.774 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -5.082 9.074 13.399 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -3.785 13.738 12.524 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -3.966 10.384 15.150 1.00 0.00 H new ATOM 0 HH TYR A 95 -3.075 12.321 15.725 1.00 0.00 H new ATOM 1504 N PRO A 96 -9.146 9.301 9.473 1.00 0.00 N ATOM 1505 CA PRO A 96 -9.874 8.462 8.518 1.00 0.00 C ATOM 1506 C PRO A 96 -9.283 8.534 7.114 1.00 0.00 C ATOM 1507 O PRO A 96 -8.727 9.558 6.716 1.00 0.00 O ATOM 1508 CB PRO A 96 -11.287 9.050 8.533 1.00 0.00 C ATOM 1509 CG PRO A 96 -11.103 10.467 8.956 1.00 0.00 C ATOM 1510 CD PRO A 96 -9.935 10.467 9.904 1.00 0.00 C ATOM 0 HA PRO A 96 -9.833 7.407 8.790 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -11.752 8.988 7.549 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -11.933 8.511 9.226 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -10.908 11.109 8.097 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -12.001 10.849 9.442 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -9.360 11.390 9.833 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -10.259 10.372 10.941 1.00 0.00 H new ATOM 1518 N VAL A 97 -9.406 7.441 6.367 1.00 0.00 N ATOM 1519 CA VAL A 97 -8.885 7.382 5.007 1.00 0.00 C ATOM 1520 C VAL A 97 -9.867 7.994 4.015 1.00 0.00 C ATOM 1521 O VAL A 97 -11.069 8.055 4.273 1.00 0.00 O ATOM 1522 CB VAL A 97 -8.583 5.932 4.585 1.00 0.00 C ATOM 1523 CG1 VAL A 97 -7.984 5.896 3.187 1.00 0.00 C ATOM 1524 CG2 VAL A 97 -7.653 5.267 5.589 1.00 0.00 C ATOM 0 H VAL A 97 -9.862 6.585 6.681 1.00 0.00 H new ATOM 0 HA VAL A 97 -7.959 7.956 4.998 1.00 0.00 H new ATOM 0 HB VAL A 97 -9.520 5.375 4.568 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -7.777 4.863 2.906 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -8.689 6.331 2.478 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -7.056 6.468 3.174 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -7.451 4.243 5.275 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.717 5.823 5.641 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -8.125 5.258 6.572 1.00 0.00 H new ATOM 1534 N ARG A 98 -9.347 8.447 2.879 1.00 0.00 N ATOM 1535 CA ARG A 98 -10.178 9.056 1.847 1.00 0.00 C ATOM 1536 C ARG A 98 -9.651 8.720 0.456 1.00 0.00 C ATOM 1537 O ARG A 98 -8.442 8.612 0.248 1.00 0.00 O ATOM 1538 CB ARG A 98 -10.228 10.574 2.033 1.00 0.00 C ATOM 1539 CG ARG A 98 -8.860 11.234 2.019 1.00 0.00 C ATOM 1540 CD ARG A 98 -8.954 12.718 2.340 1.00 0.00 C ATOM 1541 NE ARG A 98 -8.851 12.975 3.774 1.00 0.00 N ATOM 1542 CZ ARG A 98 -8.763 14.192 4.298 1.00 0.00 C ATOM 1543 NH1 ARG A 98 -8.765 15.258 3.510 1.00 0.00 N ATOM 1544 NH2 ARG A 98 -8.673 14.345 5.613 1.00 0.00 N ATOM 0 H ARG A 98 -8.354 8.404 2.650 1.00 0.00 H new ATOM 0 HA ARG A 98 -11.186 8.652 1.942 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -10.840 11.008 1.242 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -10.721 10.800 2.978 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -8.211 10.744 2.745 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -8.401 11.101 1.040 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -8.161 13.253 1.818 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -9.901 13.110 1.968 1.00 0.00 H new ATOM 0 HE ARG A 98 -8.846 12.176 4.408 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -8.834 15.145 2.499 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -8.697 16.192 3.915 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -8.671 13.527 6.223 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -8.605 15.280 6.014 1.00 0.00 H new ATOM 1558 N ARG A 99 -10.565 8.556 -0.495 1.00 0.00 N ATOM 1559 CA ARG A 99 -10.193 8.230 -1.866 1.00 0.00 C ATOM 1560 C ARG A 99 -9.183 9.238 -2.409 1.00 0.00 C ATOM 1561 O ARG A 99 -8.903 10.255 -1.773 1.00 0.00 O ATOM 1562 CB ARG A 99 -11.433 8.202 -2.761 1.00 0.00 C ATOM 1563 CG ARG A 99 -11.958 9.584 -3.117 1.00 0.00 C ATOM 1564 CD ARG A 99 -12.953 10.085 -2.082 1.00 0.00 C ATOM 1565 NE ARG A 99 -14.173 9.284 -2.063 1.00 0.00 N ATOM 1566 CZ ARG A 99 -15.276 9.641 -1.414 1.00 0.00 C ATOM 1567 NH1 ARG A 99 -15.312 10.779 -0.736 1.00 0.00 N ATOM 1568 NH2 ARG A 99 -16.347 8.858 -1.443 1.00 0.00 N ATOM 0 H ARG A 99 -11.569 8.644 -0.341 1.00 0.00 H new ATOM 0 HA ARG A 99 -9.732 7.242 -1.866 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -11.196 7.665 -3.679 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -12.221 7.641 -2.258 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -11.125 10.283 -3.191 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -12.435 9.552 -4.097 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -12.491 10.065 -1.095 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -13.205 11.124 -2.295 1.00 0.00 H new ATOM 0 HE ARG A 99 -14.179 8.402 -2.576 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -14.491 11.384 -0.711 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -16.161 11.050 -0.239 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -16.324 7.981 -1.964 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -17.193 9.133 -0.944 1.00 0.00 H new