USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 601 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 16 THR OG1 : rot -94:sc= -2.3! USER MOD Set 1.2: A 19 ASN : amide:sc= -1.02 K(o=-3.3,f=-1.9) USER MOD Single : A 15 THR OG1 : rot 43:sc= 0.0712 USER MOD Single : A 24 ASN : amide:sc= -0.275 K(o=-0.28,f=-0.81) USER MOD Single : A 26 ASN : amide:sc= -4.41 K(o=-4.4,f=-9.1!) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -111:sc= -1.81 (180deg=-4.96!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -4.34 K(o=-4.3,f=-5.5!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -3.38! C(o=-3.4!,f=-6.1!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= -6.32! USER MOD Single : A 67 SER OG : rot 180:sc= -0.371! USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 115:sc= 0.89 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -2.5! C(o=-2.5!,f=-3.4!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 190 N THR A 15 70.071 9.933 -1.262 1.00 0.00 N ATOM 191 CA THR A 15 70.319 10.327 0.155 1.00 0.00 C ATOM 192 C THR A 15 71.769 10.774 0.345 1.00 0.00 C ATOM 193 O THR A 15 72.126 11.338 1.360 1.00 0.00 O ATOM 194 CB THR A 15 70.035 9.066 0.972 1.00 0.00 C ATOM 195 OG1 THR A 15 68.648 8.767 0.912 1.00 0.00 O ATOM 196 CG2 THR A 15 70.449 9.297 2.426 1.00 0.00 C ATOM 0 HA THR A 15 69.692 11.164 0.461 1.00 0.00 H new ATOM 0 HB THR A 15 70.603 8.230 0.563 1.00 0.00 H new ATOM 0 HG1 THR A 15 68.327 8.889 -0.006 1.00 0.00 H new ATOM 0 HG21 THR A 15 70.247 8.398 3.009 1.00 0.00 H new ATOM 0 HG22 THR A 15 71.514 9.526 2.469 1.00 0.00 H new ATOM 0 HG23 THR A 15 69.882 10.132 2.838 1.00 0.00 H new ATOM 204 N THR A 16 72.609 10.528 -0.621 1.00 0.00 N ATOM 205 CA THR A 16 74.036 10.942 -0.486 1.00 0.00 C ATOM 206 C THR A 16 74.704 11.045 -1.859 1.00 0.00 C ATOM 207 O THR A 16 74.309 10.381 -2.796 1.00 0.00 O ATOM 208 CB THR A 16 74.700 9.835 0.329 1.00 0.00 C ATOM 209 OG1 THR A 16 74.381 8.576 -0.247 1.00 0.00 O ATOM 210 CG2 THR A 16 74.200 9.879 1.771 1.00 0.00 C ATOM 0 H THR A 16 72.372 10.060 -1.496 1.00 0.00 H new ATOM 0 HA THR A 16 74.125 11.919 -0.012 1.00 0.00 H new ATOM 0 HB THR A 16 75.780 9.980 0.323 1.00 0.00 H new ATOM 0 HG1 THR A 16 73.595 8.201 0.202 1.00 0.00 H new ATOM 0 HG21 THR A 16 74.678 9.086 2.346 1.00 0.00 H new ATOM 0 HG22 THR A 16 74.445 10.845 2.212 1.00 0.00 H new ATOM 0 HG23 THR A 16 73.119 9.737 1.786 1.00 0.00 H new ATOM 218 N PRO A 17 75.705 11.878 -1.920 1.00 0.00 N ATOM 219 CA PRO A 17 76.455 12.081 -3.179 1.00 0.00 C ATOM 220 C PRO A 17 77.448 10.933 -3.399 1.00 0.00 C ATOM 221 O PRO A 17 77.758 10.576 -4.519 1.00 0.00 O ATOM 222 CB PRO A 17 77.192 13.395 -2.945 1.00 0.00 C ATOM 223 CG PRO A 17 77.327 13.516 -1.457 1.00 0.00 C ATOM 224 CD PRO A 17 76.225 12.702 -0.826 1.00 0.00 C ATOM 0 HA PRO A 17 75.816 12.105 -4.061 1.00 0.00 H new ATOM 0 HB2 PRO A 17 78.169 13.389 -3.429 1.00 0.00 H new ATOM 0 HB3 PRO A 17 76.636 14.236 -3.359 1.00 0.00 H new ATOM 0 HG2 PRO A 17 78.303 13.155 -1.131 1.00 0.00 H new ATOM 0 HG3 PRO A 17 77.254 14.560 -1.151 1.00 0.00 H new ATOM 0 HD2 PRO A 17 76.604 12.086 -0.011 1.00 0.00 H new ATOM 0 HD3 PRO A 17 75.448 13.342 -0.408 1.00 0.00 H new ATOM 232 N PHE A 18 77.952 10.352 -2.340 1.00 0.00 N ATOM 233 CA PHE A 18 78.926 9.233 -2.499 1.00 0.00 C ATOM 234 C PHE A 18 78.197 7.887 -2.489 1.00 0.00 C ATOM 235 O PHE A 18 77.752 7.418 -1.460 1.00 0.00 O ATOM 236 CB PHE A 18 79.862 9.349 -1.297 1.00 0.00 C ATOM 237 CG PHE A 18 80.560 10.687 -1.336 1.00 0.00 C ATOM 238 CD1 PHE A 18 81.691 10.863 -2.142 1.00 0.00 C ATOM 239 CD2 PHE A 18 80.072 11.752 -0.570 1.00 0.00 C ATOM 240 CE1 PHE A 18 82.334 12.106 -2.182 1.00 0.00 C ATOM 241 CE2 PHE A 18 80.716 12.994 -0.610 1.00 0.00 C ATOM 242 CZ PHE A 18 81.846 13.171 -1.416 1.00 0.00 C ATOM 0 H PHE A 18 77.732 10.604 -1.376 1.00 0.00 H new ATOM 0 HA PHE A 18 79.468 9.289 -3.443 1.00 0.00 H new ATOM 0 HB2 PHE A 18 79.297 9.247 -0.370 1.00 0.00 H new ATOM 0 HB3 PHE A 18 80.595 8.543 -1.313 1.00 0.00 H new ATOM 0 HD1 PHE A 18 82.067 10.041 -2.732 1.00 0.00 H new ATOM 0 HD2 PHE A 18 79.199 11.615 0.051 1.00 0.00 H new ATOM 0 HE1 PHE A 18 83.206 12.243 -2.804 1.00 0.00 H new ATOM 0 HE2 PHE A 18 80.341 13.816 -0.019 1.00 0.00 H new ATOM 0 HZ PHE A 18 82.342 14.130 -1.447 1.00 0.00 H new ATOM 252 N ASN A 19 78.074 7.263 -3.627 1.00 0.00 N ATOM 253 CA ASN A 19 77.379 5.952 -3.693 1.00 0.00 C ATOM 254 C ASN A 19 78.131 5.017 -4.644 1.00 0.00 C ATOM 255 O ASN A 19 78.799 5.453 -5.560 1.00 0.00 O ATOM 256 CB ASN A 19 75.988 6.269 -4.241 1.00 0.00 C ATOM 257 CG ASN A 19 75.428 7.509 -3.539 1.00 0.00 C ATOM 258 OD1 ASN A 19 75.674 8.622 -3.958 1.00 0.00 O ATOM 259 ND2 ASN A 19 74.680 7.361 -2.481 1.00 0.00 N ATOM 0 H ASN A 19 78.428 7.609 -4.519 1.00 0.00 H new ATOM 0 HA ASN A 19 77.328 5.455 -2.724 1.00 0.00 H new ATOM 0 HB2 ASN A 19 76.040 6.440 -5.316 1.00 0.00 H new ATOM 0 HB3 ASN A 19 75.323 5.420 -4.086 1.00 0.00 H new ATOM 0 HD21 ASN A 19 74.302 8.180 -2.005 1.00 0.00 H new ATOM 0 HD22 ASN A 19 74.473 6.426 -2.129 1.00 0.00 H new ATOM 266 N LEU A 20 78.027 3.738 -4.430 1.00 0.00 N ATOM 267 CA LEU A 20 78.735 2.774 -5.317 1.00 0.00 C ATOM 268 C LEU A 20 78.189 1.366 -5.110 1.00 0.00 C ATOM 269 O LEU A 20 77.507 1.084 -4.144 1.00 0.00 O ATOM 270 CB LEU A 20 80.209 2.858 -4.906 1.00 0.00 C ATOM 271 CG LEU A 20 80.445 2.044 -3.631 1.00 0.00 C ATOM 272 CD1 LEU A 20 81.924 2.114 -3.248 1.00 0.00 C ATOM 273 CD2 LEU A 20 79.596 2.618 -2.495 1.00 0.00 C ATOM 0 H LEU A 20 77.482 3.316 -3.678 1.00 0.00 H new ATOM 0 HA LEU A 20 78.600 3.008 -6.373 1.00 0.00 H new ATOM 0 HB2 LEU A 20 80.841 2.481 -5.710 1.00 0.00 H new ATOM 0 HB3 LEU A 20 80.490 3.898 -4.740 1.00 0.00 H new ATOM 0 HG LEU A 20 80.164 1.005 -3.806 1.00 0.00 H new ATOM 0 HD11 LEU A 20 82.093 1.535 -2.340 1.00 0.00 H new ATOM 0 HD12 LEU A 20 82.529 1.705 -4.057 1.00 0.00 H new ATOM 0 HD13 LEU A 20 82.206 3.152 -3.073 1.00 0.00 H new ATOM 0 HD21 LEU A 20 79.764 2.039 -1.587 1.00 0.00 H new ATOM 0 HD22 LEU A 20 79.877 3.657 -2.320 1.00 0.00 H new ATOM 0 HD23 LEU A 20 78.542 2.568 -2.768 1.00 0.00 H new ATOM 285 N PHE A 21 78.485 0.483 -6.013 1.00 0.00 N ATOM 286 CA PHE A 21 77.992 -0.910 -5.886 1.00 0.00 C ATOM 287 C PHE A 21 79.025 -1.747 -5.130 1.00 0.00 C ATOM 288 O PHE A 21 80.178 -1.378 -5.032 1.00 0.00 O ATOM 289 CB PHE A 21 77.843 -1.387 -7.326 1.00 0.00 C ATOM 290 CG PHE A 21 76.535 -2.125 -7.489 1.00 0.00 C ATOM 291 CD1 PHE A 21 76.357 -3.383 -6.899 1.00 0.00 C ATOM 292 CD2 PHE A 21 75.499 -1.548 -8.233 1.00 0.00 C ATOM 293 CE1 PHE A 21 75.141 -4.061 -7.054 1.00 0.00 C ATOM 294 CE2 PHE A 21 74.285 -2.226 -8.386 1.00 0.00 C ATOM 295 CZ PHE A 21 74.105 -3.483 -7.798 1.00 0.00 C ATOM 0 H PHE A 21 79.052 0.667 -6.841 1.00 0.00 H new ATOM 0 HA PHE A 21 77.055 -0.991 -5.334 1.00 0.00 H new ATOM 0 HB2 PHE A 21 77.878 -0.536 -8.006 1.00 0.00 H new ATOM 0 HB3 PHE A 21 78.675 -2.040 -7.590 1.00 0.00 H new ATOM 0 HD1 PHE A 21 77.156 -3.829 -6.326 1.00 0.00 H new ATOM 0 HD2 PHE A 21 75.637 -0.579 -8.689 1.00 0.00 H new ATOM 0 HE1 PHE A 21 75.002 -5.031 -6.599 1.00 0.00 H new ATOM 0 HE2 PHE A 21 73.486 -1.779 -8.959 1.00 0.00 H new ATOM 0 HZ PHE A 21 73.168 -4.007 -7.918 1.00 0.00 H new ATOM 305 N ILE A 22 78.628 -2.863 -4.591 1.00 0.00 N ATOM 306 CA ILE A 22 79.601 -3.700 -3.842 1.00 0.00 C ATOM 307 C ILE A 22 79.210 -5.173 -3.946 1.00 0.00 C ATOM 308 O ILE A 22 78.048 -5.512 -4.004 1.00 0.00 O ATOM 309 CB ILE A 22 79.514 -3.202 -2.396 1.00 0.00 C ATOM 310 CG1 ILE A 22 80.444 -2.001 -2.217 1.00 0.00 C ATOM 311 CG2 ILE A 22 79.927 -4.311 -1.424 1.00 0.00 C ATOM 312 CD1 ILE A 22 80.384 -1.521 -0.766 1.00 0.00 C ATOM 0 H ILE A 22 77.677 -3.230 -4.636 1.00 0.00 H new ATOM 0 HA ILE A 22 80.616 -3.620 -4.232 1.00 0.00 H new ATOM 0 HB ILE A 22 78.485 -2.911 -2.184 1.00 0.00 H new ATOM 0 HG12 ILE A 22 81.466 -2.277 -2.478 1.00 0.00 H new ATOM 0 HG13 ILE A 22 80.149 -1.196 -2.890 1.00 0.00 H new ATOM 0 HG21 ILE A 22 79.860 -3.942 -0.401 1.00 0.00 H new ATOM 0 HG22 ILE A 22 79.263 -5.167 -1.545 1.00 0.00 H new ATOM 0 HG23 ILE A 22 80.953 -4.615 -1.633 1.00 0.00 H new ATOM 0 HD11 ILE A 22 81.047 -0.665 -0.638 1.00 0.00 H new ATOM 0 HD12 ILE A 22 79.363 -1.229 -0.521 1.00 0.00 H new ATOM 0 HD13 ILE A 22 80.700 -2.326 -0.103 1.00 0.00 H new ATOM 324 N GLY A 23 80.171 -6.049 -3.964 1.00 0.00 N ATOM 325 CA GLY A 23 79.844 -7.496 -4.062 1.00 0.00 C ATOM 326 C GLY A 23 80.591 -8.270 -2.975 1.00 0.00 C ATOM 327 O GLY A 23 81.201 -7.693 -2.097 1.00 0.00 O ATOM 0 H GLY A 23 81.166 -5.828 -3.915 1.00 0.00 H new ATOM 0 HA2 GLY A 23 78.770 -7.644 -3.953 1.00 0.00 H new ATOM 0 HA3 GLY A 23 80.120 -7.875 -5.046 1.00 0.00 H new ATOM 331 N ASN A 24 80.546 -9.574 -3.031 1.00 0.00 N ATOM 332 CA ASN A 24 81.251 -10.404 -2.006 1.00 0.00 C ATOM 333 C ASN A 24 80.509 -10.350 -0.667 1.00 0.00 C ATOM 334 O ASN A 24 81.112 -10.377 0.387 1.00 0.00 O ATOM 335 CB ASN A 24 82.648 -9.792 -1.873 1.00 0.00 C ATOM 336 CG ASN A 24 83.644 -10.879 -1.467 1.00 0.00 C ATOM 337 OD1 ASN A 24 83.604 -11.980 -1.981 1.00 0.00 O ATOM 338 ND2 ASN A 24 84.543 -10.617 -0.558 1.00 0.00 N ATOM 0 H ASN A 24 80.049 -10.105 -3.746 1.00 0.00 H new ATOM 0 HA ASN A 24 81.297 -11.453 -2.298 1.00 0.00 H new ATOM 0 HB2 ASN A 24 82.951 -9.341 -2.818 1.00 0.00 H new ATOM 0 HB3 ASN A 24 82.639 -8.996 -1.129 1.00 0.00 H new ATOM 0 HD21 ASN A 24 85.211 -11.336 -0.279 1.00 0.00 H new ATOM 0 HD22 ASN A 24 84.578 -9.694 -0.126 1.00 0.00 H new ATOM 345 N LEU A 25 79.204 -10.287 -0.698 1.00 0.00 N ATOM 346 CA LEU A 25 78.434 -10.247 0.578 1.00 0.00 C ATOM 347 C LEU A 25 78.223 -11.668 1.101 1.00 0.00 C ATOM 348 O LEU A 25 77.763 -12.540 0.392 1.00 0.00 O ATOM 349 CB LEU A 25 77.091 -9.602 0.227 1.00 0.00 C ATOM 350 CG LEU A 25 77.254 -8.083 0.124 1.00 0.00 C ATOM 351 CD1 LEU A 25 77.833 -7.539 1.430 1.00 0.00 C ATOM 352 CD2 LEU A 25 78.201 -7.750 -1.032 1.00 0.00 C ATOM 0 H LEU A 25 78.641 -10.262 -1.548 1.00 0.00 H new ATOM 0 HA LEU A 25 78.956 -9.688 1.355 1.00 0.00 H new ATOM 0 HB2 LEU A 25 76.721 -10.002 -0.717 1.00 0.00 H new ATOM 0 HB3 LEU A 25 76.350 -9.846 0.988 1.00 0.00 H new ATOM 0 HG LEU A 25 76.281 -7.626 -0.058 1.00 0.00 H new ATOM 0 HD11 LEU A 25 77.948 -6.458 1.354 1.00 0.00 H new ATOM 0 HD12 LEU A 25 77.159 -7.775 2.253 1.00 0.00 H new ATOM 0 HD13 LEU A 25 78.805 -7.995 1.615 1.00 0.00 H new ATOM 0 HD21 LEU A 25 78.318 -6.669 -1.107 1.00 0.00 H new ATOM 0 HD22 LEU A 25 79.173 -8.208 -0.850 1.00 0.00 H new ATOM 0 HD23 LEU A 25 77.787 -8.135 -1.964 1.00 0.00 H new ATOM 364 N ASN A 26 78.563 -11.900 2.337 1.00 0.00 N ATOM 365 CA ASN A 26 78.393 -13.258 2.924 1.00 0.00 C ATOM 366 C ASN A 26 77.079 -13.887 2.455 1.00 0.00 C ATOM 367 O ASN A 26 76.017 -13.544 2.935 1.00 0.00 O ATOM 368 CB ASN A 26 78.368 -13.021 4.433 1.00 0.00 C ATOM 369 CG ASN A 26 78.441 -14.363 5.162 1.00 0.00 C ATOM 370 OD1 ASN A 26 78.432 -15.407 4.541 1.00 0.00 O ATOM 371 ND2 ASN A 26 78.513 -14.381 6.465 1.00 0.00 N ATOM 0 H ASN A 26 78.954 -11.203 2.970 1.00 0.00 H new ATOM 0 HA ASN A 26 79.187 -13.942 2.624 1.00 0.00 H new ATOM 0 HB2 ASN A 26 79.207 -12.390 4.726 1.00 0.00 H new ATOM 0 HB3 ASN A 26 77.457 -12.492 4.714 1.00 0.00 H new ATOM 0 HD21 ASN A 26 78.562 -15.271 6.961 1.00 0.00 H new ATOM 0 HD22 ASN A 26 78.521 -13.505 6.987 1.00 0.00 H new ATOM 378 N PRO A 27 77.201 -14.791 1.520 1.00 0.00 N ATOM 379 CA PRO A 27 76.013 -15.482 0.963 1.00 0.00 C ATOM 380 C PRO A 27 75.507 -16.559 1.932 1.00 0.00 C ATOM 381 O PRO A 27 74.616 -17.320 1.610 1.00 0.00 O ATOM 382 CB PRO A 27 76.541 -16.118 -0.319 1.00 0.00 C ATOM 383 CG PRO A 27 78.011 -16.290 -0.099 1.00 0.00 C ATOM 384 CD PRO A 27 78.449 -15.241 0.894 1.00 0.00 C ATOM 0 HA PRO A 27 75.172 -14.810 0.792 1.00 0.00 H new ATOM 0 HB2 PRO A 27 76.057 -17.076 -0.511 1.00 0.00 H new ATOM 0 HB3 PRO A 27 76.344 -15.483 -1.183 1.00 0.00 H new ATOM 0 HG2 PRO A 27 78.227 -17.289 0.279 1.00 0.00 H new ATOM 0 HG3 PRO A 27 78.554 -16.180 -1.037 1.00 0.00 H new ATOM 0 HD2 PRO A 27 79.137 -15.654 1.631 1.00 0.00 H new ATOM 0 HD3 PRO A 27 78.966 -14.418 0.401 1.00 0.00 H new ATOM 392 N ASN A 28 76.059 -16.628 3.114 1.00 0.00 N ATOM 393 CA ASN A 28 75.594 -17.652 4.092 1.00 0.00 C ATOM 394 C ASN A 28 74.765 -16.972 5.179 1.00 0.00 C ATOM 395 O ASN A 28 74.058 -17.610 5.934 1.00 0.00 O ATOM 396 CB ASN A 28 76.872 -18.250 4.682 1.00 0.00 C ATOM 397 CG ASN A 28 77.264 -19.499 3.891 1.00 0.00 C ATOM 398 OD1 ASN A 28 77.130 -20.605 4.375 1.00 0.00 O ATOM 399 ND2 ASN A 28 77.747 -19.370 2.685 1.00 0.00 N ATOM 0 H ASN A 28 76.810 -16.021 3.443 1.00 0.00 H new ATOM 0 HA ASN A 28 74.968 -18.419 3.635 1.00 0.00 H new ATOM 0 HB2 ASN A 28 77.678 -17.517 4.648 1.00 0.00 H new ATOM 0 HB3 ASN A 28 76.717 -18.505 5.730 1.00 0.00 H new ATOM 0 HD21 ASN A 28 78.011 -20.197 2.150 1.00 0.00 H new ATOM 0 HD22 ASN A 28 77.860 -18.442 2.277 1.00 0.00 H new ATOM 406 N LYS A 29 74.848 -15.674 5.254 1.00 0.00 N ATOM 407 CA LYS A 29 74.071 -14.928 6.277 1.00 0.00 C ATOM 408 C LYS A 29 72.979 -14.107 5.594 1.00 0.00 C ATOM 409 O LYS A 29 72.558 -14.406 4.495 1.00 0.00 O ATOM 410 CB LYS A 29 75.093 -14.005 6.939 1.00 0.00 C ATOM 411 CG LYS A 29 75.268 -14.404 8.401 1.00 0.00 C ATOM 412 CD LYS A 29 76.166 -15.637 8.491 1.00 0.00 C ATOM 413 CE LYS A 29 76.892 -15.642 9.838 1.00 0.00 C ATOM 414 NZ LYS A 29 77.266 -17.064 10.070 1.00 0.00 N ATOM 0 H LYS A 29 75.426 -15.095 4.645 1.00 0.00 H new ATOM 0 HA LYS A 29 73.582 -15.584 6.997 1.00 0.00 H new ATOM 0 HB2 LYS A 29 76.048 -14.068 6.417 1.00 0.00 H new ATOM 0 HB3 LYS A 29 74.761 -12.969 6.871 1.00 0.00 H new ATOM 0 HG2 LYS A 29 75.707 -13.580 8.963 1.00 0.00 H new ATOM 0 HG3 LYS A 29 74.297 -14.615 8.850 1.00 0.00 H new ATOM 0 HD2 LYS A 29 75.570 -16.543 8.384 1.00 0.00 H new ATOM 0 HD3 LYS A 29 76.890 -15.633 7.676 1.00 0.00 H new ATOM 0 HE2 LYS A 29 77.773 -15.001 9.813 1.00 0.00 H new ATOM 0 HE3 LYS A 29 76.248 -15.268 10.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 77.769 -17.147 10.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 76.407 -17.649 10.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 77.884 -17.390 9.300 1.00 0.00 H new ATOM 428 N SER A 30 72.527 -13.066 6.231 1.00 0.00 N ATOM 429 CA SER A 30 71.474 -12.218 5.609 1.00 0.00 C ATOM 430 C SER A 30 72.089 -10.913 5.115 1.00 0.00 C ATOM 431 O SER A 30 73.034 -10.403 5.689 1.00 0.00 O ATOM 432 CB SER A 30 70.475 -11.929 6.723 1.00 0.00 C ATOM 433 OG SER A 30 70.276 -13.105 7.496 1.00 0.00 O ATOM 0 H SER A 30 72.840 -12.765 7.154 1.00 0.00 H new ATOM 0 HA SER A 30 71.004 -12.709 4.757 1.00 0.00 H new ATOM 0 HB2 SER A 30 70.844 -11.122 7.357 1.00 0.00 H new ATOM 0 HB3 SER A 30 69.528 -11.594 6.299 1.00 0.00 H new ATOM 0 HG SER A 30 69.635 -12.920 8.214 1.00 0.00 H new ATOM 439 N VAL A 31 71.563 -10.357 4.064 1.00 0.00 N ATOM 440 CA VAL A 31 72.134 -9.081 3.567 1.00 0.00 C ATOM 441 C VAL A 31 71.935 -7.999 4.628 1.00 0.00 C ATOM 442 O VAL A 31 72.564 -6.961 4.601 1.00 0.00 O ATOM 443 CB VAL A 31 71.374 -8.747 2.284 1.00 0.00 C ATOM 444 CG1 VAL A 31 72.184 -7.737 1.468 1.00 0.00 C ATOM 445 CG2 VAL A 31 71.176 -10.019 1.454 1.00 0.00 C ATOM 0 H VAL A 31 70.773 -10.725 3.534 1.00 0.00 H new ATOM 0 HA VAL A 31 73.203 -9.151 3.367 1.00 0.00 H new ATOM 0 HB VAL A 31 70.402 -8.325 2.539 1.00 0.00 H new ATOM 0 HG11 VAL A 31 71.646 -7.495 0.551 1.00 0.00 H new ATOM 0 HG12 VAL A 31 72.330 -6.829 2.054 1.00 0.00 H new ATOM 0 HG13 VAL A 31 73.154 -8.166 1.217 1.00 0.00 H new ATOM 0 HG21 VAL A 31 70.634 -9.776 0.540 1.00 0.00 H new ATOM 0 HG22 VAL A 31 72.148 -10.441 1.198 1.00 0.00 H new ATOM 0 HG23 VAL A 31 70.605 -10.746 2.032 1.00 0.00 H new ATOM 455 N ALA A 32 71.075 -8.250 5.579 1.00 0.00 N ATOM 456 CA ALA A 32 70.849 -7.254 6.660 1.00 0.00 C ATOM 457 C ALA A 32 72.032 -7.291 7.628 1.00 0.00 C ATOM 458 O ALA A 32 72.487 -6.274 8.112 1.00 0.00 O ATOM 459 CB ALA A 32 69.565 -7.704 7.358 1.00 0.00 C ATOM 0 H ALA A 32 70.520 -9.103 5.652 1.00 0.00 H new ATOM 0 HA ALA A 32 70.760 -6.234 6.286 1.00 0.00 H new ATOM 0 HB1 ALA A 32 69.332 -7.016 8.171 1.00 0.00 H new ATOM 0 HB2 ALA A 32 68.744 -7.710 6.641 1.00 0.00 H new ATOM 0 HB3 ALA A 32 69.702 -8.708 7.761 1.00 0.00 H new ATOM 465 N GLU A 33 72.544 -8.462 7.895 1.00 0.00 N ATOM 466 CA GLU A 33 73.712 -8.576 8.810 1.00 0.00 C ATOM 467 C GLU A 33 74.954 -8.047 8.100 1.00 0.00 C ATOM 468 O GLU A 33 75.875 -7.548 8.718 1.00 0.00 O ATOM 469 CB GLU A 33 73.848 -10.073 9.099 1.00 0.00 C ATOM 470 CG GLU A 33 72.510 -10.620 9.599 1.00 0.00 C ATOM 471 CD GLU A 33 72.746 -11.525 10.810 1.00 0.00 C ATOM 472 OE1 GLU A 33 73.759 -11.349 11.466 1.00 0.00 O ATOM 473 OE2 GLU A 33 71.910 -12.377 11.060 1.00 0.00 O ATOM 0 H GLU A 33 72.202 -9.346 7.517 1.00 0.00 H new ATOM 0 HA GLU A 33 73.590 -8.004 9.730 1.00 0.00 H new ATOM 0 HB2 GLU A 33 74.155 -10.602 8.197 1.00 0.00 H new ATOM 0 HB3 GLU A 33 74.624 -10.241 9.846 1.00 0.00 H new ATOM 0 HG2 GLU A 33 71.848 -9.798 9.870 1.00 0.00 H new ATOM 0 HG3 GLU A 33 72.015 -11.179 8.805 1.00 0.00 H new ATOM 480 N LEU A 34 74.977 -8.135 6.799 1.00 0.00 N ATOM 481 CA LEU A 34 76.143 -7.623 6.038 1.00 0.00 C ATOM 482 C LEU A 34 76.147 -6.098 6.094 1.00 0.00 C ATOM 483 O LEU A 34 77.167 -5.470 6.292 1.00 0.00 O ATOM 484 CB LEU A 34 75.914 -8.109 4.607 1.00 0.00 C ATOM 485 CG LEU A 34 76.518 -9.501 4.434 1.00 0.00 C ATOM 486 CD1 LEU A 34 75.747 -10.261 3.354 1.00 0.00 C ATOM 487 CD2 LEU A 34 77.984 -9.368 4.015 1.00 0.00 C ATOM 0 H LEU A 34 74.234 -8.542 6.231 1.00 0.00 H new ATOM 0 HA LEU A 34 77.098 -7.967 6.434 1.00 0.00 H new ATOM 0 HB2 LEU A 34 74.847 -8.135 4.388 1.00 0.00 H new ATOM 0 HB3 LEU A 34 76.368 -7.415 3.900 1.00 0.00 H new ATOM 0 HG LEU A 34 76.455 -10.046 5.376 1.00 0.00 H new ATOM 0 HD11 LEU A 34 76.178 -11.255 3.230 1.00 0.00 H new ATOM 0 HD12 LEU A 34 74.702 -10.353 3.650 1.00 0.00 H new ATOM 0 HD13 LEU A 34 75.811 -9.718 2.411 1.00 0.00 H new ATOM 0 HD21 LEU A 34 78.418 -10.360 3.891 1.00 0.00 H new ATOM 0 HD22 LEU A 34 78.045 -8.824 3.072 1.00 0.00 H new ATOM 0 HD23 LEU A 34 78.534 -8.825 4.783 1.00 0.00 H new ATOM 499 N LYS A 35 75.000 -5.504 5.927 1.00 0.00 N ATOM 500 CA LYS A 35 74.909 -4.020 5.975 1.00 0.00 C ATOM 501 C LYS A 35 75.363 -3.512 7.343 1.00 0.00 C ATOM 502 O LYS A 35 76.102 -2.553 7.449 1.00 0.00 O ATOM 503 CB LYS A 35 73.429 -3.715 5.749 1.00 0.00 C ATOM 504 CG LYS A 35 73.044 -4.106 4.323 1.00 0.00 C ATOM 505 CD LYS A 35 71.524 -4.071 4.177 1.00 0.00 C ATOM 506 CE LYS A 35 71.113 -4.872 2.941 1.00 0.00 C ATOM 507 NZ LYS A 35 69.800 -4.299 2.532 1.00 0.00 N ATOM 0 H LYS A 35 74.117 -5.986 5.758 1.00 0.00 H new ATOM 0 HA LYS A 35 75.543 -3.536 5.232 1.00 0.00 H new ATOM 0 HB2 LYS A 35 72.819 -4.265 6.466 1.00 0.00 H new ATOM 0 HB3 LYS A 35 73.235 -2.655 5.912 1.00 0.00 H new ATOM 0 HG2 LYS A 35 73.504 -3.422 3.610 1.00 0.00 H new ATOM 0 HG3 LYS A 35 73.419 -5.104 4.094 1.00 0.00 H new ATOM 0 HD2 LYS A 35 71.053 -4.488 5.067 1.00 0.00 H new ATOM 0 HD3 LYS A 35 71.180 -3.041 4.087 1.00 0.00 H new ATOM 0 HE2 LYS A 35 71.851 -4.776 2.145 1.00 0.00 H new ATOM 0 HE3 LYS A 35 71.027 -5.934 3.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 69.048 -4.997 2.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 69.608 -3.440 3.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 69.826 -4.060 1.520 1.00 0.00 H new ATOM 521 N VAL A 36 74.933 -4.154 8.393 1.00 0.00 N ATOM 522 CA VAL A 36 75.345 -3.717 9.757 1.00 0.00 C ATOM 523 C VAL A 36 76.853 -3.874 9.918 1.00 0.00 C ATOM 524 O VAL A 36 77.515 -3.031 10.482 1.00 0.00 O ATOM 525 CB VAL A 36 74.620 -4.657 10.709 1.00 0.00 C ATOM 526 CG1 VAL A 36 74.706 -4.109 12.135 1.00 0.00 C ATOM 527 CG2 VAL A 36 73.152 -4.781 10.296 1.00 0.00 C ATOM 0 H VAL A 36 74.313 -4.964 8.366 1.00 0.00 H new ATOM 0 HA VAL A 36 75.101 -2.672 9.947 1.00 0.00 H new ATOM 0 HB VAL A 36 75.089 -5.640 10.669 1.00 0.00 H new ATOM 0 HG11 VAL A 36 74.186 -4.783 12.816 1.00 0.00 H new ATOM 0 HG12 VAL A 36 75.752 -4.029 12.432 1.00 0.00 H new ATOM 0 HG13 VAL A 36 74.241 -3.124 12.175 1.00 0.00 H new ATOM 0 HG21 VAL A 36 72.637 -5.455 10.981 1.00 0.00 H new ATOM 0 HG22 VAL A 36 72.680 -3.799 10.330 1.00 0.00 H new ATOM 0 HG23 VAL A 36 73.091 -5.177 9.282 1.00 0.00 H new ATOM 537 N ALA A 37 77.406 -4.948 9.425 1.00 0.00 N ATOM 538 CA ALA A 37 78.874 -5.140 9.551 1.00 0.00 C ATOM 539 C ALA A 37 79.584 -4.031 8.789 1.00 0.00 C ATOM 540 O ALA A 37 80.590 -3.509 9.220 1.00 0.00 O ATOM 541 CB ALA A 37 79.159 -6.503 8.920 1.00 0.00 C ATOM 0 H ALA A 37 76.906 -5.696 8.943 1.00 0.00 H new ATOM 0 HA ALA A 37 79.220 -5.105 10.584 1.00 0.00 H new ATOM 0 HB1 ALA A 37 80.227 -6.714 8.976 1.00 0.00 H new ATOM 0 HB2 ALA A 37 78.608 -7.275 9.457 1.00 0.00 H new ATOM 0 HB3 ALA A 37 78.846 -6.493 7.876 1.00 0.00 H new ATOM 547 N ILE A 38 79.049 -3.654 7.663 1.00 0.00 N ATOM 548 CA ILE A 38 79.675 -2.561 6.877 1.00 0.00 C ATOM 549 C ILE A 38 79.322 -1.218 7.513 1.00 0.00 C ATOM 550 O ILE A 38 80.073 -0.265 7.437 1.00 0.00 O ATOM 551 CB ILE A 38 79.070 -2.676 5.477 1.00 0.00 C ATOM 552 CG1 ILE A 38 79.459 -4.022 4.858 1.00 0.00 C ATOM 553 CG2 ILE A 38 79.597 -1.542 4.598 1.00 0.00 C ATOM 554 CD1 ILE A 38 80.952 -4.276 5.073 1.00 0.00 C ATOM 0 H ILE A 38 78.205 -4.056 7.254 1.00 0.00 H new ATOM 0 HA ILE A 38 80.762 -2.631 6.845 1.00 0.00 H new ATOM 0 HB ILE A 38 77.984 -2.609 5.547 1.00 0.00 H new ATOM 0 HG12 ILE A 38 78.875 -4.824 5.310 1.00 0.00 H new ATOM 0 HG13 ILE A 38 79.230 -4.023 3.792 1.00 0.00 H new ATOM 0 HG21 ILE A 38 79.166 -1.624 3.600 1.00 0.00 H new ATOM 0 HG22 ILE A 38 79.319 -0.583 5.036 1.00 0.00 H new ATOM 0 HG23 ILE A 38 80.683 -1.609 4.530 1.00 0.00 H new ATOM 0 HD11 ILE A 38 81.225 -5.234 4.631 1.00 0.00 H new ATOM 0 HD12 ILE A 38 81.528 -3.481 4.600 1.00 0.00 H new ATOM 0 HD13 ILE A 38 81.168 -4.294 6.141 1.00 0.00 H new ATOM 566 N SER A 39 78.188 -1.140 8.160 1.00 0.00 N ATOM 567 CA SER A 39 77.800 0.141 8.815 1.00 0.00 C ATOM 568 C SER A 39 78.594 0.296 10.111 1.00 0.00 C ATOM 569 O SER A 39 78.911 1.388 10.540 1.00 0.00 O ATOM 570 CB SER A 39 76.307 0.006 9.108 1.00 0.00 C ATOM 571 OG SER A 39 75.794 1.266 9.521 1.00 0.00 O ATOM 0 H SER A 39 77.519 -1.903 8.262 1.00 0.00 H new ATOM 0 HA SER A 39 78.004 1.014 8.195 1.00 0.00 H new ATOM 0 HB2 SER A 39 75.780 -0.341 8.219 1.00 0.00 H new ATOM 0 HB3 SER A 39 76.143 -0.739 9.886 1.00 0.00 H new ATOM 0 HG SER A 39 74.836 1.183 9.708 1.00 0.00 H new ATOM 577 N GLU A 40 78.929 -0.802 10.724 1.00 0.00 N ATOM 578 CA GLU A 40 79.712 -0.752 11.983 1.00 0.00 C ATOM 579 C GLU A 40 81.188 -0.567 11.659 1.00 0.00 C ATOM 580 O GLU A 40 81.870 0.251 12.244 1.00 0.00 O ATOM 581 CB GLU A 40 79.475 -2.106 12.631 1.00 0.00 C ATOM 582 CG GLU A 40 79.295 -1.932 14.141 1.00 0.00 C ATOM 583 CD GLU A 40 80.647 -2.092 14.839 1.00 0.00 C ATOM 584 OE1 GLU A 40 81.476 -2.823 14.321 1.00 0.00 O ATOM 585 OE2 GLU A 40 80.831 -1.481 15.879 1.00 0.00 O ATOM 0 H GLU A 40 78.691 -1.740 10.402 1.00 0.00 H new ATOM 0 HA GLU A 40 79.419 0.072 12.634 1.00 0.00 H new ATOM 0 HB2 GLU A 40 78.590 -2.575 12.201 1.00 0.00 H new ATOM 0 HB3 GLU A 40 80.317 -2.769 12.430 1.00 0.00 H new ATOM 0 HG2 GLU A 40 78.877 -0.949 14.357 1.00 0.00 H new ATOM 0 HG3 GLU A 40 78.588 -2.670 14.521 1.00 0.00 H new ATOM 592 N LEU A 41 81.681 -1.317 10.718 1.00 0.00 N ATOM 593 CA LEU A 41 83.108 -1.181 10.341 1.00 0.00 C ATOM 594 C LEU A 41 83.387 0.261 9.938 1.00 0.00 C ATOM 595 O LEU A 41 84.404 0.824 10.282 1.00 0.00 O ATOM 596 CB LEU A 41 83.307 -2.123 9.160 1.00 0.00 C ATOM 597 CG LEU A 41 84.718 -2.704 9.219 1.00 0.00 C ATOM 598 CD1 LEU A 41 85.746 -1.585 9.061 1.00 0.00 C ATOM 599 CD2 LEU A 41 84.927 -3.405 10.564 1.00 0.00 C ATOM 0 H LEU A 41 81.156 -2.018 10.195 1.00 0.00 H new ATOM 0 HA LEU A 41 83.784 -1.428 11.159 1.00 0.00 H new ATOM 0 HB2 LEU A 41 82.569 -2.924 9.189 1.00 0.00 H new ATOM 0 HB3 LEU A 41 83.159 -1.587 8.222 1.00 0.00 H new ATOM 0 HG LEU A 41 84.844 -3.424 8.410 1.00 0.00 H new ATOM 0 HD11 LEU A 41 86.751 -2.005 9.104 1.00 0.00 H new ATOM 0 HD12 LEU A 41 85.600 -1.090 8.101 1.00 0.00 H new ATOM 0 HD13 LEU A 41 85.621 -0.860 9.865 1.00 0.00 H new ATOM 0 HD21 LEU A 41 85.934 -3.820 10.606 1.00 0.00 H new ATOM 0 HD22 LEU A 41 84.797 -2.686 11.373 1.00 0.00 H new ATOM 0 HD23 LEU A 41 84.199 -4.209 10.672 1.00 0.00 H new ATOM 611 N PHE A 42 82.477 0.869 9.232 1.00 0.00 N ATOM 612 CA PHE A 42 82.673 2.279 8.831 1.00 0.00 C ATOM 613 C PHE A 42 82.356 3.173 10.024 1.00 0.00 C ATOM 614 O PHE A 42 82.849 4.277 10.144 1.00 0.00 O ATOM 615 CB PHE A 42 81.662 2.495 7.715 1.00 0.00 C ATOM 616 CG PHE A 42 81.976 1.593 6.538 1.00 0.00 C ATOM 617 CD1 PHE A 42 83.182 0.878 6.495 1.00 0.00 C ATOM 618 CD2 PHE A 42 81.060 1.477 5.486 1.00 0.00 C ATOM 619 CE1 PHE A 42 83.467 0.049 5.403 1.00 0.00 C ATOM 620 CE2 PHE A 42 81.346 0.647 4.395 1.00 0.00 C ATOM 621 CZ PHE A 42 82.549 -0.066 4.353 1.00 0.00 C ATOM 0 H PHE A 42 81.605 0.445 8.917 1.00 0.00 H new ATOM 0 HA PHE A 42 83.689 2.506 8.507 1.00 0.00 H new ATOM 0 HB2 PHE A 42 80.656 2.289 8.081 1.00 0.00 H new ATOM 0 HB3 PHE A 42 81.678 3.538 7.397 1.00 0.00 H new ATOM 0 HD1 PHE A 42 83.891 0.967 7.305 1.00 0.00 H new ATOM 0 HD2 PHE A 42 80.132 2.028 5.516 1.00 0.00 H new ATOM 0 HE1 PHE A 42 84.395 -0.502 5.371 1.00 0.00 H new ATOM 0 HE2 PHE A 42 80.637 0.557 3.585 1.00 0.00 H new ATOM 0 HZ PHE A 42 82.769 -0.705 3.511 1.00 0.00 H new ATOM 631 N ALA A 43 81.539 2.685 10.916 1.00 0.00 N ATOM 632 CA ALA A 43 81.185 3.483 12.122 1.00 0.00 C ATOM 633 C ALA A 43 82.318 3.375 13.140 1.00 0.00 C ATOM 634 O ALA A 43 82.606 4.302 13.871 1.00 0.00 O ATOM 635 CB ALA A 43 79.906 2.845 12.665 1.00 0.00 C ATOM 0 H ALA A 43 81.101 1.766 10.861 1.00 0.00 H new ATOM 0 HA ALA A 43 81.037 4.541 11.903 1.00 0.00 H new ATOM 0 HB1 ALA A 43 79.583 3.381 13.557 1.00 0.00 H new ATOM 0 HB2 ALA A 43 79.124 2.896 11.908 1.00 0.00 H new ATOM 0 HB3 ALA A 43 80.098 1.802 12.918 1.00 0.00 H new ATOM 641 N LYS A 44 82.971 2.248 13.179 1.00 0.00 N ATOM 642 CA LYS A 44 84.099 2.068 14.132 1.00 0.00 C ATOM 643 C LYS A 44 85.398 2.541 13.478 1.00 0.00 C ATOM 644 O LYS A 44 86.406 2.718 14.133 1.00 0.00 O ATOM 645 CB LYS A 44 84.151 0.566 14.411 1.00 0.00 C ATOM 646 CG LYS A 44 83.372 0.255 15.690 1.00 0.00 C ATOM 647 CD LYS A 44 84.156 -0.751 16.535 1.00 0.00 C ATOM 648 CE LYS A 44 83.235 -1.352 17.599 1.00 0.00 C ATOM 649 NZ LYS A 44 84.086 -1.483 18.814 1.00 0.00 N ATOM 0 H LYS A 44 82.771 1.441 12.589 1.00 0.00 H new ATOM 0 HA LYS A 44 83.969 2.641 15.050 1.00 0.00 H new ATOM 0 HB2 LYS A 44 83.727 0.015 13.572 1.00 0.00 H new ATOM 0 HB3 LYS A 44 85.186 0.241 14.515 1.00 0.00 H new ATOM 0 HG2 LYS A 44 83.205 1.170 16.258 1.00 0.00 H new ATOM 0 HG3 LYS A 44 82.391 -0.150 15.441 1.00 0.00 H new ATOM 0 HD2 LYS A 44 84.559 -1.540 15.900 1.00 0.00 H new ATOM 0 HD3 LYS A 44 85.005 -0.260 17.010 1.00 0.00 H new ATOM 0 HE2 LYS A 44 82.375 -0.708 17.786 1.00 0.00 H new ATOM 0 HE3 LYS A 44 82.846 -2.320 17.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 83.524 -1.889 19.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 84.892 -2.106 18.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 84.437 -0.545 19.095 1.00 0.00 H new ATOM 663 N ASN A 45 85.380 2.754 12.188 1.00 0.00 N ATOM 664 CA ASN A 45 86.608 3.222 11.494 1.00 0.00 C ATOM 665 C ASN A 45 86.616 4.748 11.432 1.00 0.00 C ATOM 666 O ASN A 45 87.621 5.356 11.123 1.00 0.00 O ATOM 667 CB ASN A 45 86.512 2.635 10.089 1.00 0.00 C ATOM 668 CG ASN A 45 87.197 1.268 10.053 1.00 0.00 C ATOM 669 OD1 ASN A 45 87.817 0.912 9.071 1.00 0.00 O ATOM 670 ND2 ASN A 45 87.112 0.482 11.091 1.00 0.00 N ATOM 0 H ASN A 45 84.566 2.623 11.588 1.00 0.00 H new ATOM 0 HA ASN A 45 87.520 2.913 12.004 1.00 0.00 H new ATOM 0 HB2 ASN A 45 85.467 2.536 9.796 1.00 0.00 H new ATOM 0 HB3 ASN A 45 86.982 3.307 9.371 1.00 0.00 H new ATOM 0 HD21 ASN A 45 87.566 -0.431 11.078 1.00 0.00 H new ATOM 0 HD22 ASN A 45 86.591 0.781 11.916 1.00 0.00 H new ATOM 677 N ASP A 46 85.483 5.357 11.698 1.00 0.00 N ATOM 678 CA ASP A 46 85.358 6.848 11.647 1.00 0.00 C ATOM 679 C ASP A 46 85.038 7.250 10.220 1.00 0.00 C ATOM 680 O ASP A 46 85.363 8.330 9.766 1.00 0.00 O ATOM 681 CB ASP A 46 86.697 7.436 12.107 1.00 0.00 C ATOM 682 CG ASP A 46 86.454 8.777 12.802 1.00 0.00 C ATOM 683 OD1 ASP A 46 85.846 9.639 12.188 1.00 0.00 O ATOM 684 OD2 ASP A 46 86.879 8.920 13.936 1.00 0.00 O ATOM 0 H ASP A 46 84.623 4.872 11.953 1.00 0.00 H new ATOM 0 HA ASP A 46 84.563 7.218 12.294 1.00 0.00 H new ATOM 0 HB2 ASP A 46 87.194 6.746 12.789 1.00 0.00 H new ATOM 0 HB3 ASP A 46 87.359 7.572 11.252 1.00 0.00 H new ATOM 689 N LEU A 47 84.387 6.374 9.514 1.00 0.00 N ATOM 690 CA LEU A 47 84.012 6.668 8.115 1.00 0.00 C ATOM 691 C LEU A 47 82.808 7.609 8.107 1.00 0.00 C ATOM 692 O LEU A 47 82.736 8.552 8.869 1.00 0.00 O ATOM 693 CB LEU A 47 83.642 5.304 7.518 1.00 0.00 C ATOM 694 CG LEU A 47 84.079 5.254 6.054 1.00 0.00 C ATOM 695 CD1 LEU A 47 85.572 4.935 5.978 1.00 0.00 C ATOM 696 CD2 LEU A 47 83.287 4.169 5.322 1.00 0.00 C ATOM 0 H LEU A 47 84.097 5.457 9.854 1.00 0.00 H new ATOM 0 HA LEU A 47 84.807 7.152 7.549 1.00 0.00 H new ATOM 0 HB2 LEU A 47 84.126 4.505 8.081 1.00 0.00 H new ATOM 0 HB3 LEU A 47 82.567 5.141 7.594 1.00 0.00 H new ATOM 0 HG LEU A 47 83.890 6.220 5.585 1.00 0.00 H new ATOM 0 HD11 LEU A 47 85.884 4.899 4.934 1.00 0.00 H new ATOM 0 HD12 LEU A 47 86.136 5.708 6.499 1.00 0.00 H new ATOM 0 HD13 LEU A 47 85.762 3.969 6.447 1.00 0.00 H new ATOM 0 HD21 LEU A 47 83.598 4.133 4.278 1.00 0.00 H new ATOM 0 HD22 LEU A 47 83.475 3.203 5.790 1.00 0.00 H new ATOM 0 HD23 LEU A 47 82.222 4.397 5.375 1.00 0.00 H new ATOM 708 N ALA A 48 81.858 7.343 7.269 1.00 0.00 N ATOM 709 CA ALA A 48 80.642 8.193 7.213 1.00 0.00 C ATOM 710 C ALA A 48 79.570 7.457 6.428 1.00 0.00 C ATOM 711 O ALA A 48 78.915 8.002 5.564 1.00 0.00 O ATOM 712 CB ALA A 48 81.063 9.482 6.508 1.00 0.00 C ATOM 0 H ALA A 48 81.869 6.564 6.611 1.00 0.00 H new ATOM 0 HA ALA A 48 80.234 8.417 8.199 1.00 0.00 H new ATOM 0 HB1 ALA A 48 80.207 10.153 6.435 1.00 0.00 H new ATOM 0 HB2 ALA A 48 81.856 9.966 7.078 1.00 0.00 H new ATOM 0 HB3 ALA A 48 81.426 9.248 5.507 1.00 0.00 H new ATOM 718 N VAL A 49 79.398 6.211 6.736 1.00 0.00 N ATOM 719 CA VAL A 49 78.384 5.401 6.036 1.00 0.00 C ATOM 720 C VAL A 49 77.033 6.078 6.147 1.00 0.00 C ATOM 721 O VAL A 49 76.743 6.797 7.083 1.00 0.00 O ATOM 722 CB VAL A 49 78.385 4.022 6.715 1.00 0.00 C ATOM 723 CG1 VAL A 49 78.625 4.159 8.223 1.00 0.00 C ATOM 724 CG2 VAL A 49 77.044 3.324 6.488 1.00 0.00 C ATOM 0 H VAL A 49 79.926 5.714 7.454 1.00 0.00 H new ATOM 0 HA VAL A 49 78.602 5.295 4.973 1.00 0.00 H new ATOM 0 HB VAL A 49 79.189 3.431 6.276 1.00 0.00 H new ATOM 0 HG11 VAL A 49 78.622 3.171 8.683 1.00 0.00 H new ATOM 0 HG12 VAL A 49 79.589 4.637 8.396 1.00 0.00 H new ATOM 0 HG13 VAL A 49 77.835 4.767 8.663 1.00 0.00 H new ATOM 0 HG21 VAL A 49 77.055 2.348 6.973 1.00 0.00 H new ATOM 0 HG22 VAL A 49 76.242 3.930 6.910 1.00 0.00 H new ATOM 0 HG23 VAL A 49 76.877 3.196 5.419 1.00 0.00 H new ATOM 734 N VAL A 50 76.225 5.858 5.177 1.00 0.00 N ATOM 735 CA VAL A 50 74.876 6.486 5.161 1.00 0.00 C ATOM 736 C VAL A 50 73.819 5.465 4.739 1.00 0.00 C ATOM 737 O VAL A 50 72.699 5.492 5.208 1.00 0.00 O ATOM 738 CB VAL A 50 74.980 7.616 4.130 1.00 0.00 C ATOM 739 CG1 VAL A 50 73.875 8.644 4.370 1.00 0.00 C ATOM 740 CG2 VAL A 50 76.337 8.311 4.259 1.00 0.00 C ATOM 0 H VAL A 50 76.432 5.262 4.375 1.00 0.00 H new ATOM 0 HA VAL A 50 74.580 6.855 6.143 1.00 0.00 H new ATOM 0 HB VAL A 50 74.875 7.190 3.132 1.00 0.00 H new ATOM 0 HG11 VAL A 50 73.956 9.444 3.634 1.00 0.00 H new ATOM 0 HG12 VAL A 50 72.902 8.161 4.276 1.00 0.00 H new ATOM 0 HG13 VAL A 50 73.978 9.062 5.372 1.00 0.00 H new ATOM 0 HG21 VAL A 50 76.406 9.113 3.524 1.00 0.00 H new ATOM 0 HG22 VAL A 50 76.439 8.727 5.261 1.00 0.00 H new ATOM 0 HG23 VAL A 50 77.134 7.588 4.083 1.00 0.00 H new ATOM 750 N ASP A 51 74.159 4.563 3.855 1.00 0.00 N ATOM 751 CA ASP A 51 73.150 3.551 3.417 1.00 0.00 C ATOM 752 C ASP A 51 73.832 2.254 2.964 1.00 0.00 C ATOM 753 O ASP A 51 75.040 2.132 2.981 1.00 0.00 O ATOM 754 CB ASP A 51 72.409 4.193 2.240 1.00 0.00 C ATOM 755 CG ASP A 51 72.105 5.661 2.551 1.00 0.00 C ATOM 756 OD1 ASP A 51 72.993 6.478 2.376 1.00 0.00 O ATOM 757 OD2 ASP A 51 70.990 5.940 2.960 1.00 0.00 O ATOM 0 H ASP A 51 75.079 4.483 3.422 1.00 0.00 H new ATOM 0 HA ASP A 51 72.477 3.286 4.232 1.00 0.00 H new ATOM 0 HB2 ASP A 51 73.014 4.122 1.336 1.00 0.00 H new ATOM 0 HB3 ASP A 51 71.482 3.654 2.046 1.00 0.00 H new ATOM 762 N VAL A 52 73.049 1.291 2.555 1.00 0.00 N ATOM 763 CA VAL A 52 73.615 -0.008 2.092 1.00 0.00 C ATOM 764 C VAL A 52 72.480 -0.950 1.676 1.00 0.00 C ATOM 765 O VAL A 52 71.684 -1.375 2.489 1.00 0.00 O ATOM 766 CB VAL A 52 74.363 -0.572 3.298 1.00 0.00 C ATOM 767 CG1 VAL A 52 73.370 -0.863 4.424 1.00 0.00 C ATOM 768 CG2 VAL A 52 75.074 -1.864 2.890 1.00 0.00 C ATOM 0 H VAL A 52 72.031 1.351 2.522 1.00 0.00 H new ATOM 0 HA VAL A 52 74.271 0.109 1.229 1.00 0.00 H new ATOM 0 HB VAL A 52 75.098 0.153 3.647 1.00 0.00 H new ATOM 0 HG11 VAL A 52 73.904 -1.266 5.285 1.00 0.00 H new ATOM 0 HG12 VAL A 52 72.864 0.059 4.710 1.00 0.00 H new ATOM 0 HG13 VAL A 52 72.634 -1.590 4.081 1.00 0.00 H new ATOM 0 HG21 VAL A 52 75.610 -2.271 3.748 1.00 0.00 H new ATOM 0 HG22 VAL A 52 74.339 -2.590 2.544 1.00 0.00 H new ATOM 0 HG23 VAL A 52 75.781 -1.653 2.088 1.00 0.00 H new ATOM 778 N ARG A 53 72.395 -1.274 0.414 1.00 0.00 N ATOM 779 CA ARG A 53 71.307 -2.182 -0.051 1.00 0.00 C ATOM 780 C ARG A 53 71.895 -3.505 -0.550 1.00 0.00 C ATOM 781 O ARG A 53 73.094 -3.659 -0.663 1.00 0.00 O ATOM 782 CB ARG A 53 70.626 -1.431 -1.195 1.00 0.00 C ATOM 783 CG ARG A 53 69.184 -1.104 -0.804 1.00 0.00 C ATOM 784 CD ARG A 53 68.583 -0.140 -1.830 1.00 0.00 C ATOM 785 NE ARG A 53 68.670 1.203 -1.192 1.00 0.00 N ATOM 786 CZ ARG A 53 67.765 2.108 -1.449 1.00 0.00 C ATOM 787 NH1 ARG A 53 66.507 1.858 -1.208 1.00 0.00 N ATOM 788 NH2 ARG A 53 68.118 3.260 -1.947 1.00 0.00 N ATOM 0 H ARG A 53 73.031 -0.950 -0.314 1.00 0.00 H new ATOM 0 HA ARG A 53 70.608 -2.429 0.748 1.00 0.00 H new ATOM 0 HB2 ARG A 53 71.171 -0.513 -1.417 1.00 0.00 H new ATOM 0 HB3 ARG A 53 70.640 -2.037 -2.101 1.00 0.00 H new ATOM 0 HG2 ARG A 53 68.592 -2.018 -0.758 1.00 0.00 H new ATOM 0 HG3 ARG A 53 69.158 -0.657 0.190 1.00 0.00 H new ATOM 0 HD2 ARG A 53 69.136 -0.168 -2.769 1.00 0.00 H new ATOM 0 HD3 ARG A 53 67.550 -0.402 -2.060 1.00 0.00 H new ATOM 0 HE ARG A 53 69.437 1.416 -0.554 1.00 0.00 H new ATOM 0 HH11 ARG A 53 66.232 0.956 -0.819 1.00 0.00 H new ATOM 0 HH12 ARG A 53 65.799 2.565 -1.408 1.00 0.00 H new ATOM 0 HH21 ARG A 53 69.101 3.454 -2.136 1.00 0.00 H new ATOM 0 HH22 ARG A 53 67.411 3.967 -2.148 1.00 0.00 H new ATOM 802 N THR A 54 71.058 -4.463 -0.844 1.00 0.00 N ATOM 803 CA THR A 54 71.560 -5.773 -1.330 1.00 0.00 C ATOM 804 C THR A 54 71.852 -5.708 -2.833 1.00 0.00 C ATOM 805 O THR A 54 71.395 -4.821 -3.526 1.00 0.00 O ATOM 806 CB THR A 54 70.417 -6.742 -1.045 1.00 0.00 C ATOM 807 OG1 THR A 54 69.366 -6.522 -1.975 1.00 0.00 O ATOM 808 CG2 THR A 54 69.899 -6.520 0.377 1.00 0.00 C ATOM 0 H THR A 54 70.043 -4.391 -0.767 1.00 0.00 H new ATOM 0 HA THR A 54 72.490 -6.073 -0.846 1.00 0.00 H new ATOM 0 HB THR A 54 70.777 -7.766 -1.141 1.00 0.00 H new ATOM 0 HG1 THR A 54 68.632 -7.146 -1.793 1.00 0.00 H new ATOM 0 HG21 THR A 54 69.082 -7.213 0.579 1.00 0.00 H new ATOM 0 HG22 THR A 54 70.706 -6.692 1.089 1.00 0.00 H new ATOM 0 HG23 THR A 54 69.539 -5.496 0.477 1.00 0.00 H new ATOM 816 N GLY A 55 72.615 -6.639 -3.336 1.00 0.00 N ATOM 817 CA GLY A 55 72.943 -6.631 -4.789 1.00 0.00 C ATOM 818 C GLY A 55 72.774 -8.040 -5.363 1.00 0.00 C ATOM 819 O GLY A 55 73.393 -8.982 -4.911 1.00 0.00 O ATOM 0 H GLY A 55 73.026 -7.405 -2.803 1.00 0.00 H new ATOM 0 HA2 GLY A 55 72.292 -5.933 -5.315 1.00 0.00 H new ATOM 0 HA3 GLY A 55 73.966 -6.287 -4.939 1.00 0.00 H new ATOM 823 N THR A 56 71.944 -8.187 -6.362 1.00 0.00 N ATOM 824 CA THR A 56 71.732 -9.530 -6.981 1.00 0.00 C ATOM 825 C THR A 56 71.712 -10.633 -5.915 1.00 0.00 C ATOM 826 O THR A 56 72.741 -11.131 -5.503 1.00 0.00 O ATOM 827 CB THR A 56 72.922 -9.721 -7.922 1.00 0.00 C ATOM 828 OG1 THR A 56 72.822 -8.802 -9.001 1.00 0.00 O ATOM 829 CG2 THR A 56 72.922 -11.151 -8.466 1.00 0.00 C ATOM 0 H THR A 56 71.401 -7.431 -6.778 1.00 0.00 H new ATOM 0 HA THR A 56 70.776 -9.588 -7.501 1.00 0.00 H new ATOM 0 HB THR A 56 73.849 -9.543 -7.376 1.00 0.00 H new ATOM 0 HG1 THR A 56 73.585 -8.922 -9.604 1.00 0.00 H new ATOM 0 HG21 THR A 56 73.771 -11.285 -9.136 1.00 0.00 H new ATOM 0 HG22 THR A 56 72.999 -11.855 -7.638 1.00 0.00 H new ATOM 0 HG23 THR A 56 71.996 -11.333 -9.012 1.00 0.00 H new ATOM 837 N ASN A 57 70.546 -11.025 -5.476 1.00 0.00 N ATOM 838 CA ASN A 57 70.456 -12.103 -4.447 1.00 0.00 C ATOM 839 C ASN A 57 71.101 -11.650 -3.133 1.00 0.00 C ATOM 840 O ASN A 57 71.046 -10.492 -2.769 1.00 0.00 O ATOM 841 CB ASN A 57 71.225 -13.287 -5.039 1.00 0.00 C ATOM 842 CG ASN A 57 70.847 -13.460 -6.512 1.00 0.00 C ATOM 843 OD1 ASN A 57 71.691 -13.367 -7.382 1.00 0.00 O ATOM 844 ND2 ASN A 57 69.607 -13.710 -6.830 1.00 0.00 N ATOM 0 H ASN A 57 69.651 -10.646 -5.785 1.00 0.00 H new ATOM 0 HA ASN A 57 69.422 -12.360 -4.217 1.00 0.00 H new ATOM 0 HB2 ASN A 57 72.298 -13.120 -4.946 1.00 0.00 H new ATOM 0 HB3 ASN A 57 70.995 -14.197 -4.485 1.00 0.00 H new ATOM 0 HD21 ASN A 57 69.345 -13.828 -7.809 1.00 0.00 H new ATOM 0 HD22 ASN A 57 68.899 -13.788 -6.100 1.00 0.00 H new ATOM 851 N ARG A 58 71.705 -12.559 -2.415 1.00 0.00 N ATOM 852 CA ARG A 58 72.348 -12.186 -1.122 1.00 0.00 C ATOM 853 C ARG A 58 73.868 -12.331 -1.216 1.00 0.00 C ATOM 854 O ARG A 58 74.533 -12.639 -0.247 1.00 0.00 O ATOM 855 CB ARG A 58 71.779 -13.172 -0.101 1.00 0.00 C ATOM 856 CG ARG A 58 72.212 -14.593 -0.467 1.00 0.00 C ATOM 857 CD ARG A 58 71.086 -15.286 -1.239 1.00 0.00 C ATOM 858 NE ARG A 58 71.778 -16.194 -2.195 1.00 0.00 N ATOM 859 CZ ARG A 58 71.121 -17.172 -2.758 1.00 0.00 C ATOM 860 NH1 ARG A 58 71.076 -18.343 -2.183 1.00 0.00 N ATOM 861 NH2 ARG A 58 70.510 -16.978 -3.894 1.00 0.00 N ATOM 0 H ARG A 58 71.781 -13.544 -2.668 1.00 0.00 H new ATOM 0 HA ARG A 58 72.149 -11.150 -0.849 1.00 0.00 H new ATOM 0 HB2 ARG A 58 72.131 -12.920 0.899 1.00 0.00 H new ATOM 0 HB3 ARG A 58 70.691 -13.105 -0.082 1.00 0.00 H new ATOM 0 HG2 ARG A 58 73.118 -14.564 -1.072 1.00 0.00 H new ATOM 0 HG3 ARG A 58 72.449 -15.156 0.436 1.00 0.00 H new ATOM 0 HD2 ARG A 58 70.432 -15.843 -0.568 1.00 0.00 H new ATOM 0 HD3 ARG A 58 70.463 -14.562 -1.763 1.00 0.00 H new ATOM 0 HE ARG A 58 72.765 -16.052 -2.410 1.00 0.00 H new ATOM 0 HH11 ARG A 58 71.554 -18.494 -1.295 1.00 0.00 H new ATOM 0 HH12 ARG A 58 70.563 -19.107 -2.622 1.00 0.00 H new ATOM 0 HH21 ARG A 58 70.546 -16.063 -4.342 1.00 0.00 H new ATOM 0 HH22 ARG A 58 69.997 -17.742 -4.334 1.00 0.00 H new ATOM 875 N LYS A 59 74.428 -12.110 -2.374 1.00 0.00 N ATOM 876 CA LYS A 59 75.906 -12.234 -2.519 1.00 0.00 C ATOM 877 C LYS A 59 76.516 -10.873 -2.865 1.00 0.00 C ATOM 878 O LYS A 59 77.694 -10.642 -2.673 1.00 0.00 O ATOM 879 CB LYS A 59 76.115 -13.225 -3.665 1.00 0.00 C ATOM 880 CG LYS A 59 77.611 -13.501 -3.832 1.00 0.00 C ATOM 881 CD LYS A 59 77.847 -14.258 -5.141 1.00 0.00 C ATOM 882 CE LYS A 59 79.156 -13.784 -5.776 1.00 0.00 C ATOM 883 NZ LYS A 59 78.763 -12.665 -6.677 1.00 0.00 N ATOM 0 H LYS A 59 73.927 -11.850 -3.224 1.00 0.00 H new ATOM 0 HA LYS A 59 76.384 -12.573 -1.600 1.00 0.00 H new ATOM 0 HB2 LYS A 59 75.583 -14.154 -3.459 1.00 0.00 H new ATOM 0 HB3 LYS A 59 75.703 -12.821 -4.590 1.00 0.00 H new ATOM 0 HG2 LYS A 59 78.166 -12.563 -3.837 1.00 0.00 H new ATOM 0 HG3 LYS A 59 77.980 -14.086 -2.990 1.00 0.00 H new ATOM 0 HD2 LYS A 59 77.890 -15.330 -4.951 1.00 0.00 H new ATOM 0 HD3 LYS A 59 77.016 -14.089 -5.826 1.00 0.00 H new ATOM 0 HE2 LYS A 59 79.865 -13.450 -5.018 1.00 0.00 H new ATOM 0 HE3 LYS A 59 79.639 -14.588 -6.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 79.609 -12.287 -7.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 78.093 -13.014 -7.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 78.312 -11.912 -6.119 1.00 0.00 H new ATOM 897 N PHE A 60 75.723 -9.969 -3.368 1.00 0.00 N ATOM 898 CA PHE A 60 76.253 -8.621 -3.721 1.00 0.00 C ATOM 899 C PHE A 60 75.593 -7.559 -2.836 1.00 0.00 C ATOM 900 O PHE A 60 74.908 -7.875 -1.884 1.00 0.00 O ATOM 901 CB PHE A 60 75.873 -8.425 -5.188 1.00 0.00 C ATOM 902 CG PHE A 60 77.060 -7.912 -5.964 1.00 0.00 C ATOM 903 CD1 PHE A 60 78.012 -8.806 -6.463 1.00 0.00 C ATOM 904 CD2 PHE A 60 77.201 -6.539 -6.190 1.00 0.00 C ATOM 905 CE1 PHE A 60 79.106 -8.326 -7.192 1.00 0.00 C ATOM 906 CE2 PHE A 60 78.294 -6.057 -6.915 1.00 0.00 C ATOM 907 CZ PHE A 60 79.248 -6.950 -7.417 1.00 0.00 C ATOM 0 H PHE A 60 74.729 -10.105 -3.551 1.00 0.00 H new ATOM 0 HA PHE A 60 77.329 -8.535 -3.570 1.00 0.00 H new ATOM 0 HB2 PHE A 60 75.531 -9.369 -5.613 1.00 0.00 H new ATOM 0 HB3 PHE A 60 75.045 -7.721 -5.267 1.00 0.00 H new ATOM 0 HD1 PHE A 60 77.903 -9.866 -6.286 1.00 0.00 H new ATOM 0 HD2 PHE A 60 76.464 -5.850 -5.804 1.00 0.00 H new ATOM 0 HE1 PHE A 60 79.840 -9.016 -7.581 1.00 0.00 H new ATOM 0 HE2 PHE A 60 78.403 -4.996 -7.088 1.00 0.00 H new ATOM 0 HZ PHE A 60 80.093 -6.579 -7.978 1.00 0.00 H new ATOM 917 N GLY A 61 75.789 -6.302 -3.135 1.00 0.00 N ATOM 918 CA GLY A 61 75.163 -5.242 -2.292 1.00 0.00 C ATOM 919 C GLY A 61 75.721 -3.862 -2.654 1.00 0.00 C ATOM 920 O GLY A 61 76.825 -3.730 -3.142 1.00 0.00 O ATOM 0 H GLY A 61 76.349 -5.966 -3.918 1.00 0.00 H new ATOM 0 HA2 GLY A 61 74.082 -5.251 -2.432 1.00 0.00 H new ATOM 0 HA3 GLY A 61 75.350 -5.450 -1.239 1.00 0.00 H new ATOM 924 N TYR A 62 74.956 -2.832 -2.404 1.00 0.00 N ATOM 925 CA TYR A 62 75.416 -1.446 -2.712 1.00 0.00 C ATOM 926 C TYR A 62 75.560 -0.659 -1.418 1.00 0.00 C ATOM 927 O TYR A 62 75.062 -1.052 -0.382 1.00 0.00 O ATOM 928 CB TYR A 62 74.315 -0.854 -3.595 1.00 0.00 C ATOM 929 CG TYR A 62 74.770 0.464 -4.175 1.00 0.00 C ATOM 930 CD1 TYR A 62 74.796 1.611 -3.371 1.00 0.00 C ATOM 931 CD2 TYR A 62 75.160 0.541 -5.517 1.00 0.00 C ATOM 932 CE1 TYR A 62 75.212 2.834 -3.911 1.00 0.00 C ATOM 933 CE2 TYR A 62 75.575 1.764 -6.056 1.00 0.00 C ATOM 934 CZ TYR A 62 75.602 2.910 -5.253 1.00 0.00 C ATOM 935 OH TYR A 62 76.009 4.117 -5.786 1.00 0.00 O ATOM 0 H TYR A 62 74.023 -2.893 -1.996 1.00 0.00 H new ATOM 0 HA TYR A 62 76.385 -1.420 -3.211 1.00 0.00 H new ATOM 0 HB2 TYR A 62 74.069 -1.549 -4.398 1.00 0.00 H new ATOM 0 HB3 TYR A 62 73.407 -0.709 -3.010 1.00 0.00 H new ATOM 0 HD1 TYR A 62 74.495 1.552 -2.335 1.00 0.00 H new ATOM 0 HD2 TYR A 62 75.141 -0.343 -6.137 1.00 0.00 H new ATOM 0 HE1 TYR A 62 75.232 3.719 -3.292 1.00 0.00 H new ATOM 0 HE2 TYR A 62 75.875 1.824 -7.092 1.00 0.00 H new ATOM 0 HH TYR A 62 76.247 3.995 -6.729 1.00 0.00 H new ATOM 945 N VAL A 63 76.261 0.436 -1.457 1.00 0.00 N ATOM 946 CA VAL A 63 76.453 1.218 -0.210 1.00 0.00 C ATOM 947 C VAL A 63 76.579 2.711 -0.513 1.00 0.00 C ATOM 948 O VAL A 63 77.081 3.110 -1.545 1.00 0.00 O ATOM 949 CB VAL A 63 77.753 0.676 0.378 1.00 0.00 C ATOM 950 CG1 VAL A 63 77.850 1.082 1.840 1.00 0.00 C ATOM 951 CG2 VAL A 63 77.774 -0.852 0.283 1.00 0.00 C ATOM 0 H VAL A 63 76.706 0.820 -2.291 1.00 0.00 H new ATOM 0 HA VAL A 63 75.610 1.119 0.474 1.00 0.00 H new ATOM 0 HB VAL A 63 78.595 1.085 -0.181 1.00 0.00 H new ATOM 0 HG11 VAL A 63 78.777 0.697 2.264 1.00 0.00 H new ATOM 0 HG12 VAL A 63 77.840 2.169 1.917 1.00 0.00 H new ATOM 0 HG13 VAL A 63 77.002 0.672 2.389 1.00 0.00 H new ATOM 0 HG21 VAL A 63 78.705 -1.230 0.705 1.00 0.00 H new ATOM 0 HG22 VAL A 63 76.931 -1.263 0.838 1.00 0.00 H new ATOM 0 HG23 VAL A 63 77.701 -1.153 -0.762 1.00 0.00 H new ATOM 961 N ASP A 64 76.127 3.539 0.388 1.00 0.00 N ATOM 962 CA ASP A 64 76.217 5.006 0.170 1.00 0.00 C ATOM 963 C ASP A 64 77.058 5.648 1.274 1.00 0.00 C ATOM 964 O ASP A 64 76.993 5.260 2.424 1.00 0.00 O ATOM 965 CB ASP A 64 74.777 5.496 0.249 1.00 0.00 C ATOM 966 CG ASP A 64 73.910 4.695 -0.725 1.00 0.00 C ATOM 967 OD1 ASP A 64 73.827 3.489 -0.561 1.00 0.00 O ATOM 968 OD2 ASP A 64 73.344 5.301 -1.620 1.00 0.00 O ATOM 0 H ASP A 64 75.697 3.259 1.270 1.00 0.00 H new ATOM 0 HA ASP A 64 76.688 5.260 -0.780 1.00 0.00 H new ATOM 0 HB2 ASP A 64 74.399 5.384 1.265 1.00 0.00 H new ATOM 0 HB3 ASP A 64 74.729 6.558 0.006 1.00 0.00 H new ATOM 973 N PHE A 65 77.839 6.633 0.931 1.00 0.00 N ATOM 974 CA PHE A 65 78.683 7.309 1.953 1.00 0.00 C ATOM 975 C PHE A 65 78.169 8.729 2.189 1.00 0.00 C ATOM 976 O PHE A 65 77.207 9.155 1.584 1.00 0.00 O ATOM 977 CB PHE A 65 80.088 7.321 1.352 1.00 0.00 C ATOM 978 CG PHE A 65 80.676 5.935 1.456 1.00 0.00 C ATOM 979 CD1 PHE A 65 80.784 5.315 2.706 1.00 0.00 C ATOM 980 CD2 PHE A 65 81.103 5.265 0.304 1.00 0.00 C ATOM 981 CE1 PHE A 65 81.320 4.027 2.806 1.00 0.00 C ATOM 982 CE2 PHE A 65 81.639 3.976 0.403 1.00 0.00 C ATOM 983 CZ PHE A 65 81.748 3.358 1.655 1.00 0.00 C ATOM 0 H PHE A 65 77.929 7.000 -0.016 1.00 0.00 H new ATOM 0 HA PHE A 65 78.666 6.805 2.919 1.00 0.00 H new ATOM 0 HB2 PHE A 65 80.049 7.637 0.309 1.00 0.00 H new ATOM 0 HB3 PHE A 65 80.717 8.038 1.879 1.00 0.00 H new ATOM 0 HD1 PHE A 65 80.453 5.832 3.595 1.00 0.00 H new ATOM 0 HD2 PHE A 65 81.019 5.742 -0.661 1.00 0.00 H new ATOM 0 HE1 PHE A 65 81.403 3.550 3.771 1.00 0.00 H new ATOM 0 HE2 PHE A 65 81.968 3.458 -0.486 1.00 0.00 H new ATOM 0 HZ PHE A 65 82.163 2.364 1.732 1.00 0.00 H new ATOM 993 N GLU A 66 78.784 9.462 3.075 1.00 0.00 N ATOM 994 CA GLU A 66 78.298 10.846 3.346 1.00 0.00 C ATOM 995 C GLU A 66 79.418 11.866 3.142 1.00 0.00 C ATOM 996 O GLU A 66 79.320 12.996 3.578 1.00 0.00 O ATOM 997 CB GLU A 66 77.854 10.835 4.810 1.00 0.00 C ATOM 998 CG GLU A 66 76.348 11.087 4.892 1.00 0.00 C ATOM 999 CD GLU A 66 76.093 12.524 5.352 1.00 0.00 C ATOM 1000 OE1 GLU A 66 76.713 13.420 4.803 1.00 0.00 O ATOM 1001 OE2 GLU A 66 75.282 12.705 6.246 1.00 0.00 O ATOM 0 H GLU A 66 79.595 9.167 3.619 1.00 0.00 H new ATOM 0 HA GLU A 66 77.490 11.128 2.671 1.00 0.00 H new ATOM 0 HB2 GLU A 66 78.098 9.876 5.267 1.00 0.00 H new ATOM 0 HB3 GLU A 66 78.392 11.601 5.369 1.00 0.00 H new ATOM 0 HG2 GLU A 66 75.887 10.919 3.919 1.00 0.00 H new ATOM 0 HG3 GLU A 66 75.889 10.385 5.588 1.00 0.00 H new ATOM 1008 N SER A 67 80.480 11.489 2.490 1.00 0.00 N ATOM 1009 CA SER A 67 81.588 12.466 2.279 1.00 0.00 C ATOM 1010 C SER A 67 82.580 12.001 1.231 1.00 0.00 C ATOM 1011 O SER A 67 82.550 10.886 0.742 1.00 0.00 O ATOM 1012 CB SER A 67 82.313 12.558 3.612 1.00 0.00 C ATOM 1013 OG SER A 67 83.663 12.940 3.379 1.00 0.00 O ATOM 0 H SER A 67 80.631 10.560 2.098 1.00 0.00 H new ATOM 0 HA SER A 67 81.178 13.415 1.934 1.00 0.00 H new ATOM 0 HB2 SER A 67 81.822 13.286 4.258 1.00 0.00 H new ATOM 0 HB3 SER A 67 82.277 11.598 4.127 1.00 0.00 H new ATOM 0 HG SER A 67 84.137 13.003 4.234 1.00 0.00 H new ATOM 1019 N ALA A 68 83.498 12.863 0.944 1.00 0.00 N ATOM 1020 CA ALA A 68 84.577 12.548 -0.018 1.00 0.00 C ATOM 1021 C ALA A 68 85.693 11.886 0.761 1.00 0.00 C ATOM 1022 O ALA A 68 86.469 11.104 0.248 1.00 0.00 O ATOM 1023 CB ALA A 68 85.034 13.901 -0.542 1.00 0.00 C ATOM 0 H ALA A 68 83.549 13.799 1.346 1.00 0.00 H new ATOM 0 HA ALA A 68 84.271 11.889 -0.831 1.00 0.00 H new ATOM 0 HB1 ALA A 68 85.837 13.759 -1.265 1.00 0.00 H new ATOM 0 HB2 ALA A 68 84.197 14.406 -1.024 1.00 0.00 H new ATOM 0 HB3 ALA A 68 85.396 14.509 0.287 1.00 0.00 H new ATOM 1029 N GLU A 69 85.747 12.192 2.024 1.00 0.00 N ATOM 1030 CA GLU A 69 86.774 11.591 2.898 1.00 0.00 C ATOM 1031 C GLU A 69 86.263 10.230 3.354 1.00 0.00 C ATOM 1032 O GLU A 69 87.021 9.338 3.688 1.00 0.00 O ATOM 1033 CB GLU A 69 86.899 12.562 4.067 1.00 0.00 C ATOM 1034 CG GLU A 69 88.376 12.826 4.358 1.00 0.00 C ATOM 1035 CD GLU A 69 88.727 12.307 5.753 1.00 0.00 C ATOM 1036 OE1 GLU A 69 87.812 12.042 6.514 1.00 0.00 O ATOM 1037 OE2 GLU A 69 89.907 12.184 6.039 1.00 0.00 O ATOM 0 H GLU A 69 85.113 12.842 2.489 1.00 0.00 H new ATOM 0 HA GLU A 69 87.739 11.438 2.416 1.00 0.00 H new ATOM 0 HB2 GLU A 69 86.391 13.497 3.832 1.00 0.00 H new ATOM 0 HB3 GLU A 69 86.412 12.148 4.950 1.00 0.00 H new ATOM 0 HG2 GLU A 69 88.998 12.335 3.610 1.00 0.00 H new ATOM 0 HG3 GLU A 69 88.584 13.894 4.294 1.00 0.00 H new ATOM 1044 N ASP A 70 84.969 10.055 3.323 1.00 0.00 N ATOM 1045 CA ASP A 70 84.386 8.748 3.702 1.00 0.00 C ATOM 1046 C ASP A 70 84.499 7.840 2.492 1.00 0.00 C ATOM 1047 O ASP A 70 84.714 6.649 2.603 1.00 0.00 O ATOM 1048 CB ASP A 70 82.924 9.043 4.038 1.00 0.00 C ATOM 1049 CG ASP A 70 82.105 7.752 3.974 1.00 0.00 C ATOM 1050 OD1 ASP A 70 82.707 6.692 3.925 1.00 0.00 O ATOM 1051 OD2 ASP A 70 80.889 7.846 3.974 1.00 0.00 O ATOM 0 H ASP A 70 84.293 10.768 3.049 1.00 0.00 H new ATOM 0 HA ASP A 70 84.880 8.265 4.545 1.00 0.00 H new ATOM 0 HB2 ASP A 70 82.852 9.481 5.033 1.00 0.00 H new ATOM 0 HB3 ASP A 70 82.521 9.775 3.338 1.00 0.00 H new ATOM 1056 N LEU A 71 84.379 8.412 1.326 1.00 0.00 N ATOM 1057 CA LEU A 71 84.507 7.602 0.096 1.00 0.00 C ATOM 1058 C LEU A 71 85.962 7.153 -0.056 1.00 0.00 C ATOM 1059 O LEU A 71 86.246 6.033 -0.437 1.00 0.00 O ATOM 1060 CB LEU A 71 84.103 8.536 -1.046 1.00 0.00 C ATOM 1061 CG LEU A 71 84.416 7.870 -2.386 1.00 0.00 C ATOM 1062 CD1 LEU A 71 83.585 6.595 -2.529 1.00 0.00 C ATOM 1063 CD2 LEU A 71 84.072 8.833 -3.525 1.00 0.00 C ATOM 0 H LEU A 71 84.198 9.405 1.178 1.00 0.00 H new ATOM 0 HA LEU A 71 83.886 6.706 0.110 1.00 0.00 H new ATOM 0 HB2 LEU A 71 83.040 8.766 -0.982 1.00 0.00 H new ATOM 0 HB3 LEU A 71 84.640 9.481 -0.964 1.00 0.00 H new ATOM 0 HG LEU A 71 85.476 7.619 -2.428 1.00 0.00 H new ATOM 0 HD11 LEU A 71 83.808 6.120 -3.484 1.00 0.00 H new ATOM 0 HD12 LEU A 71 83.828 5.909 -1.717 1.00 0.00 H new ATOM 0 HD13 LEU A 71 82.525 6.845 -2.487 1.00 0.00 H new ATOM 0 HD21 LEU A 71 84.295 8.360 -4.481 1.00 0.00 H new ATOM 0 HD22 LEU A 71 83.012 9.083 -3.482 1.00 0.00 H new ATOM 0 HD23 LEU A 71 84.664 9.743 -3.424 1.00 0.00 H new ATOM 1075 N GLU A 72 86.889 8.022 0.259 1.00 0.00 N ATOM 1076 CA GLU A 72 88.329 7.654 0.155 1.00 0.00 C ATOM 1077 C GLU A 72 88.667 6.619 1.227 1.00 0.00 C ATOM 1078 O GLU A 72 89.476 5.732 1.022 1.00 0.00 O ATOM 1079 CB GLU A 72 89.093 8.956 0.401 1.00 0.00 C ATOM 1080 CG GLU A 72 90.591 8.660 0.488 1.00 0.00 C ATOM 1081 CD GLU A 72 91.372 9.976 0.489 1.00 0.00 C ATOM 1082 OE1 GLU A 72 91.110 10.797 1.352 1.00 0.00 O ATOM 1083 OE2 GLU A 72 92.220 10.139 -0.373 1.00 0.00 O ATOM 0 H GLU A 72 86.708 8.972 0.584 1.00 0.00 H new ATOM 0 HA GLU A 72 88.584 7.218 -0.811 1.00 0.00 H new ATOM 0 HB2 GLU A 72 88.897 9.663 -0.405 1.00 0.00 H new ATOM 0 HB3 GLU A 72 88.750 9.423 1.324 1.00 0.00 H new ATOM 0 HG2 GLU A 72 90.809 8.095 1.394 1.00 0.00 H new ATOM 0 HG3 GLU A 72 90.900 8.042 -0.355 1.00 0.00 H new ATOM 1090 N LYS A 73 88.023 6.701 2.359 1.00 0.00 N ATOM 1091 CA LYS A 73 88.276 5.704 3.424 1.00 0.00 C ATOM 1092 C LYS A 73 87.470 4.467 3.080 1.00 0.00 C ATOM 1093 O LYS A 73 87.793 3.360 3.464 1.00 0.00 O ATOM 1094 CB LYS A 73 87.774 6.347 4.718 1.00 0.00 C ATOM 1095 CG LYS A 73 88.708 7.492 5.117 1.00 0.00 C ATOM 1096 CD LYS A 73 88.238 8.097 6.441 1.00 0.00 C ATOM 1097 CE LYS A 73 88.820 9.503 6.596 1.00 0.00 C ATOM 1098 NZ LYS A 73 90.157 9.299 7.220 1.00 0.00 N ATOM 0 H LYS A 73 87.334 7.417 2.588 1.00 0.00 H new ATOM 0 HA LYS A 73 89.324 5.422 3.526 1.00 0.00 H new ATOM 0 HB2 LYS A 73 86.760 6.722 4.580 1.00 0.00 H new ATOM 0 HB3 LYS A 73 87.733 5.603 5.514 1.00 0.00 H new ATOM 0 HG2 LYS A 73 89.729 7.125 5.215 1.00 0.00 H new ATOM 0 HG3 LYS A 73 88.717 8.256 4.339 1.00 0.00 H new ATOM 0 HD2 LYS A 73 87.149 8.138 6.468 1.00 0.00 H new ATOM 0 HD3 LYS A 73 88.554 7.468 7.273 1.00 0.00 H new ATOM 0 HE2 LYS A 73 88.907 10.003 5.631 1.00 0.00 H new ATOM 0 HE3 LYS A 73 88.183 10.127 7.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 90.620 10.220 7.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 90.043 8.827 8.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 90.744 8.707 6.598 1.00 0.00 H new ATOM 1112 N ALA A 74 86.426 4.657 2.320 1.00 0.00 N ATOM 1113 CA ALA A 74 85.598 3.506 1.904 1.00 0.00 C ATOM 1114 C ALA A 74 86.428 2.635 0.968 1.00 0.00 C ATOM 1115 O ALA A 74 86.272 1.432 0.905 1.00 0.00 O ATOM 1116 CB ALA A 74 84.404 4.112 1.169 1.00 0.00 C ATOM 0 H ALA A 74 86.116 5.564 1.972 1.00 0.00 H new ATOM 0 HA ALA A 74 85.267 2.887 2.738 1.00 0.00 H new ATOM 0 HB1 ALA A 74 83.743 3.315 0.830 1.00 0.00 H new ATOM 0 HB2 ALA A 74 83.859 4.773 1.843 1.00 0.00 H new ATOM 0 HB3 ALA A 74 84.757 4.681 0.309 1.00 0.00 H new ATOM 1122 N LEU A 75 87.330 3.250 0.252 1.00 0.00 N ATOM 1123 CA LEU A 75 88.203 2.492 -0.676 1.00 0.00 C ATOM 1124 C LEU A 75 89.298 1.794 0.127 1.00 0.00 C ATOM 1125 O LEU A 75 89.585 0.631 -0.070 1.00 0.00 O ATOM 1126 CB LEU A 75 88.801 3.558 -1.591 1.00 0.00 C ATOM 1127 CG LEU A 75 89.092 2.951 -2.958 1.00 0.00 C ATOM 1128 CD1 LEU A 75 90.178 1.884 -2.818 1.00 0.00 C ATOM 1129 CD2 LEU A 75 87.814 2.317 -3.512 1.00 0.00 C ATOM 0 H LEU A 75 87.497 4.256 0.274 1.00 0.00 H new ATOM 0 HA LEU A 75 87.673 1.725 -1.240 1.00 0.00 H new ATOM 0 HB2 LEU A 75 88.109 4.394 -1.693 1.00 0.00 H new ATOM 0 HB3 LEU A 75 89.718 3.954 -1.155 1.00 0.00 H new ATOM 0 HG LEU A 75 89.436 3.728 -3.640 1.00 0.00 H new ATOM 0 HD11 LEU A 75 90.388 1.448 -3.795 1.00 0.00 H new ATOM 0 HD12 LEU A 75 91.086 2.339 -2.421 1.00 0.00 H new ATOM 0 HD13 LEU A 75 89.836 1.103 -2.138 1.00 0.00 H new ATOM 0 HD21 LEU A 75 88.018 1.882 -4.490 1.00 0.00 H new ATOM 0 HD22 LEU A 75 87.470 1.537 -2.832 1.00 0.00 H new ATOM 0 HD23 LEU A 75 87.042 3.080 -3.609 1.00 0.00 H new ATOM 1141 N GLU A 76 89.905 2.500 1.043 1.00 0.00 N ATOM 1142 CA GLU A 76 90.973 1.879 1.870 1.00 0.00 C ATOM 1143 C GLU A 76 90.363 0.819 2.787 1.00 0.00 C ATOM 1144 O GLU A 76 91.048 -0.033 3.317 1.00 0.00 O ATOM 1145 CB GLU A 76 91.554 3.026 2.692 1.00 0.00 C ATOM 1146 CG GLU A 76 92.993 3.298 2.250 1.00 0.00 C ATOM 1147 CD GLU A 76 93.961 2.588 3.198 1.00 0.00 C ATOM 1148 OE1 GLU A 76 93.833 2.779 4.397 1.00 0.00 O ATOM 1149 OE2 GLU A 76 94.816 1.867 2.710 1.00 0.00 O ATOM 0 H GLU A 76 89.706 3.478 1.252 1.00 0.00 H new ATOM 0 HA GLU A 76 91.736 1.386 1.267 1.00 0.00 H new ATOM 0 HB2 GLU A 76 90.948 3.923 2.563 1.00 0.00 H new ATOM 0 HB3 GLU A 76 91.530 2.775 3.752 1.00 0.00 H new ATOM 0 HG2 GLU A 76 93.144 2.947 1.229 1.00 0.00 H new ATOM 0 HG3 GLU A 76 93.188 4.370 2.250 1.00 0.00 H new ATOM 1156 N LEU A 77 89.072 0.868 2.970 1.00 0.00 N ATOM 1157 CA LEU A 77 88.396 -0.132 3.845 1.00 0.00 C ATOM 1158 C LEU A 77 88.462 -1.518 3.213 1.00 0.00 C ATOM 1159 O LEU A 77 88.086 -2.506 3.808 1.00 0.00 O ATOM 1160 CB LEU A 77 86.955 0.344 3.925 1.00 0.00 C ATOM 1161 CG LEU A 77 86.822 1.322 5.081 1.00 0.00 C ATOM 1162 CD1 LEU A 77 85.520 2.101 4.931 1.00 0.00 C ATOM 1163 CD2 LEU A 77 86.816 0.543 6.396 1.00 0.00 C ATOM 0 H LEU A 77 88.453 1.561 2.549 1.00 0.00 H new ATOM 0 HA LEU A 77 88.863 -0.210 4.827 1.00 0.00 H new ATOM 0 HB2 LEU A 77 86.664 0.824 2.990 1.00 0.00 H new ATOM 0 HB3 LEU A 77 86.286 -0.504 4.070 1.00 0.00 H new ATOM 0 HG LEU A 77 87.659 2.020 5.079 1.00 0.00 H new ATOM 0 HD11 LEU A 77 85.419 2.804 5.758 1.00 0.00 H new ATOM 0 HD12 LEU A 77 85.530 2.648 3.988 1.00 0.00 H new ATOM 0 HD13 LEU A 77 84.678 1.408 4.939 1.00 0.00 H new ATOM 0 HD21 LEU A 77 86.721 1.238 7.230 1.00 0.00 H new ATOM 0 HD22 LEU A 77 85.975 -0.151 6.404 1.00 0.00 H new ATOM 0 HD23 LEU A 77 87.748 -0.015 6.493 1.00 0.00 H new ATOM 1175 N THR A 78 88.939 -1.594 2.007 1.00 0.00 N ATOM 1176 CA THR A 78 89.038 -2.914 1.313 1.00 0.00 C ATOM 1177 C THR A 78 89.716 -3.955 2.200 1.00 0.00 C ATOM 1178 O THR A 78 89.636 -5.144 1.958 1.00 0.00 O ATOM 1179 CB THR A 78 89.866 -2.647 0.055 1.00 0.00 C ATOM 1180 OG1 THR A 78 89.231 -1.642 -0.723 1.00 0.00 O ATOM 1181 CG2 THR A 78 89.979 -3.934 -0.764 1.00 0.00 C ATOM 0 H THR A 78 89.268 -0.796 1.464 1.00 0.00 H new ATOM 0 HA THR A 78 88.054 -3.316 1.074 1.00 0.00 H new ATOM 0 HB THR A 78 90.863 -2.311 0.339 1.00 0.00 H new ATOM 0 HG1 THR A 78 89.802 -0.846 -0.758 1.00 0.00 H new ATOM 0 HG21 THR A 78 90.569 -3.744 -1.661 1.00 0.00 H new ATOM 0 HG22 THR A 78 90.466 -4.704 -0.166 1.00 0.00 H new ATOM 0 HG23 THR A 78 88.983 -4.272 -1.050 1.00 0.00 H new ATOM 1189 N GLY A 79 90.370 -3.518 3.225 1.00 0.00 N ATOM 1190 CA GLY A 79 91.052 -4.471 4.149 1.00 0.00 C ATOM 1191 C GLY A 79 90.047 -5.016 5.174 1.00 0.00 C ATOM 1192 O GLY A 79 90.421 -5.539 6.205 1.00 0.00 O ATOM 0 H GLY A 79 90.468 -2.533 3.473 1.00 0.00 H new ATOM 0 HA2 GLY A 79 91.487 -5.293 3.581 1.00 0.00 H new ATOM 0 HA3 GLY A 79 91.872 -3.969 4.662 1.00 0.00 H new ATOM 1196 N LEU A 80 88.774 -4.899 4.898 1.00 0.00 N ATOM 1197 CA LEU A 80 87.743 -5.410 5.848 1.00 0.00 C ATOM 1198 C LEU A 80 87.288 -6.804 5.395 1.00 0.00 C ATOM 1199 O LEU A 80 87.752 -7.317 4.399 1.00 0.00 O ATOM 1200 CB LEU A 80 86.621 -4.346 5.774 1.00 0.00 C ATOM 1201 CG LEU A 80 85.220 -4.963 5.623 1.00 0.00 C ATOM 1202 CD1 LEU A 80 84.617 -5.210 7.007 1.00 0.00 C ATOM 1203 CD2 LEU A 80 84.327 -3.983 4.860 1.00 0.00 C ATOM 0 H LEU A 80 88.403 -4.469 4.051 1.00 0.00 H new ATOM 0 HA LEU A 80 88.089 -5.537 6.874 1.00 0.00 H new ATOM 0 HB2 LEU A 80 86.648 -3.734 6.676 1.00 0.00 H new ATOM 0 HB3 LEU A 80 86.812 -3.681 4.932 1.00 0.00 H new ATOM 0 HG LEU A 80 85.292 -5.907 5.083 1.00 0.00 H new ATOM 0 HD11 LEU A 80 83.624 -5.647 6.899 1.00 0.00 H new ATOM 0 HD12 LEU A 80 85.256 -5.894 7.565 1.00 0.00 H new ATOM 0 HD13 LEU A 80 84.540 -4.265 7.545 1.00 0.00 H new ATOM 0 HD21 LEU A 80 83.331 -4.411 4.747 1.00 0.00 H new ATOM 0 HD22 LEU A 80 84.259 -3.046 5.413 1.00 0.00 H new ATOM 0 HD23 LEU A 80 84.754 -3.793 3.875 1.00 0.00 H new ATOM 1215 N LYS A 81 86.394 -7.420 6.123 1.00 0.00 N ATOM 1216 CA LYS A 81 85.911 -8.780 5.731 1.00 0.00 C ATOM 1217 C LYS A 81 84.612 -9.085 6.441 1.00 0.00 C ATOM 1218 O LYS A 81 84.465 -10.098 7.092 1.00 0.00 O ATOM 1219 CB LYS A 81 86.978 -9.724 6.199 1.00 0.00 C ATOM 1220 CG LYS A 81 87.514 -10.535 5.019 1.00 0.00 C ATOM 1221 CD LYS A 81 88.643 -11.450 5.499 1.00 0.00 C ATOM 1222 CE LYS A 81 88.716 -12.685 4.599 1.00 0.00 C ATOM 1223 NZ LYS A 81 88.907 -13.830 5.533 1.00 0.00 N ATOM 0 H LYS A 81 85.976 -7.041 6.973 1.00 0.00 H new ATOM 0 HA LYS A 81 85.731 -8.860 4.659 1.00 0.00 H new ATOM 0 HB2 LYS A 81 87.790 -9.166 6.666 1.00 0.00 H new ATOM 0 HB3 LYS A 81 86.575 -10.394 6.958 1.00 0.00 H new ATOM 0 HG2 LYS A 81 86.713 -11.129 4.578 1.00 0.00 H new ATOM 0 HG3 LYS A 81 87.880 -9.866 4.240 1.00 0.00 H new ATOM 0 HD2 LYS A 81 89.593 -10.915 5.478 1.00 0.00 H new ATOM 0 HD3 LYS A 81 88.468 -11.750 6.532 1.00 0.00 H new ATOM 0 HE2 LYS A 81 87.804 -12.801 4.013 1.00 0.00 H new ATOM 0 HE3 LYS A 81 89.542 -12.610 3.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 88.966 -14.715 4.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 89.786 -13.695 6.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 88.102 -13.880 6.190 1.00 0.00 H new ATOM 1237 N VAL A 82 83.695 -8.192 6.284 1.00 0.00 N ATOM 1238 CA VAL A 82 82.323 -8.301 6.903 1.00 0.00 C ATOM 1239 C VAL A 82 82.244 -9.471 7.885 1.00 0.00 C ATOM 1240 O VAL A 82 83.039 -9.580 8.799 1.00 0.00 O ATOM 1241 CB VAL A 82 81.378 -8.509 5.718 1.00 0.00 C ATOM 1242 CG1 VAL A 82 79.941 -8.220 6.157 1.00 0.00 C ATOM 1243 CG2 VAL A 82 81.759 -7.554 4.588 1.00 0.00 C ATOM 0 H VAL A 82 83.829 -7.346 5.730 1.00 0.00 H new ATOM 0 HA VAL A 82 82.067 -7.415 7.483 1.00 0.00 H new ATOM 0 HB VAL A 82 81.456 -9.539 5.369 1.00 0.00 H new ATOM 0 HG11 VAL A 82 79.266 -8.368 5.314 1.00 0.00 H new ATOM 0 HG12 VAL A 82 79.665 -8.896 6.966 1.00 0.00 H new ATOM 0 HG13 VAL A 82 79.867 -7.190 6.505 1.00 0.00 H new ATOM 0 HG21 VAL A 82 81.086 -7.702 3.744 1.00 0.00 H new ATOM 0 HG22 VAL A 82 81.680 -6.525 4.939 1.00 0.00 H new ATOM 0 HG23 VAL A 82 82.784 -7.752 4.274 1.00 0.00 H new ATOM 1253 N PHE A 83 81.309 -10.352 7.704 1.00 0.00 N ATOM 1254 CA PHE A 83 81.214 -11.519 8.617 1.00 0.00 C ATOM 1255 C PHE A 83 82.329 -12.511 8.269 1.00 0.00 C ATOM 1256 O PHE A 83 82.491 -13.535 8.902 1.00 0.00 O ATOM 1257 CB PHE A 83 79.837 -12.129 8.349 1.00 0.00 C ATOM 1258 CG PHE A 83 78.784 -11.376 9.131 1.00 0.00 C ATOM 1259 CD1 PHE A 83 78.962 -10.019 9.429 1.00 0.00 C ATOM 1260 CD2 PHE A 83 77.624 -12.038 9.558 1.00 0.00 C ATOM 1261 CE1 PHE A 83 77.985 -9.326 10.152 1.00 0.00 C ATOM 1262 CE2 PHE A 83 76.647 -11.343 10.281 1.00 0.00 C ATOM 1263 CZ PHE A 83 76.828 -9.987 10.578 1.00 0.00 C ATOM 0 H PHE A 83 80.607 -10.316 6.965 1.00 0.00 H new ATOM 0 HA PHE A 83 81.326 -11.250 9.667 1.00 0.00 H new ATOM 0 HB2 PHE A 83 79.611 -12.087 7.283 1.00 0.00 H new ATOM 0 HB3 PHE A 83 79.833 -13.181 8.635 1.00 0.00 H new ATOM 0 HD1 PHE A 83 79.854 -9.507 9.100 1.00 0.00 H new ATOM 0 HD2 PHE A 83 77.484 -13.084 9.329 1.00 0.00 H new ATOM 0 HE1 PHE A 83 78.124 -8.280 10.381 1.00 0.00 H new ATOM 0 HE2 PHE A 83 75.754 -11.853 10.610 1.00 0.00 H new ATOM 0 HZ PHE A 83 76.074 -9.451 11.136 1.00 0.00 H new ATOM 1273 N GLY A 84 83.102 -12.201 7.257 1.00 0.00 N ATOM 1274 CA GLY A 84 84.213 -13.100 6.846 1.00 0.00 C ATOM 1275 C GLY A 84 84.439 -12.969 5.336 1.00 0.00 C ATOM 1276 O GLY A 84 84.772 -13.926 4.667 1.00 0.00 O ATOM 0 H GLY A 84 83.006 -11.355 6.696 1.00 0.00 H new ATOM 0 HA2 GLY A 84 85.124 -12.841 7.385 1.00 0.00 H new ATOM 0 HA3 GLY A 84 83.974 -14.132 7.101 1.00 0.00 H new ATOM 1280 N ASN A 85 84.263 -11.790 4.791 1.00 0.00 N ATOM 1281 CA ASN A 85 84.472 -11.612 3.324 1.00 0.00 C ATOM 1282 C ASN A 85 84.727 -10.138 3.006 1.00 0.00 C ATOM 1283 O ASN A 85 83.822 -9.329 3.007 1.00 0.00 O ATOM 1284 CB ASN A 85 83.171 -12.084 2.673 1.00 0.00 C ATOM 1285 CG ASN A 85 83.183 -13.608 2.553 1.00 0.00 C ATOM 1286 OD1 ASN A 85 84.172 -14.191 2.156 1.00 0.00 O ATOM 1287 ND2 ASN A 85 82.115 -14.285 2.881 1.00 0.00 N ATOM 0 H ASN A 85 83.985 -10.949 5.297 1.00 0.00 H new ATOM 0 HA ASN A 85 85.333 -12.172 2.959 1.00 0.00 H new ATOM 0 HB2 ASN A 85 82.317 -11.762 3.269 1.00 0.00 H new ATOM 0 HB3 ASN A 85 83.061 -11.632 1.687 1.00 0.00 H new ATOM 0 HD21 ASN A 85 82.112 -15.302 2.804 1.00 0.00 H new ATOM 0 HD22 ASN A 85 81.284 -13.797 3.214 1.00 0.00 H new ATOM 1294 N GLU A 86 85.955 -9.780 2.743 1.00 0.00 N ATOM 1295 CA GLU A 86 86.260 -8.354 2.435 1.00 0.00 C ATOM 1296 C GLU A 86 85.378 -7.859 1.300 1.00 0.00 C ATOM 1297 O GLU A 86 85.734 -7.925 0.140 1.00 0.00 O ATOM 1298 CB GLU A 86 87.733 -8.329 2.037 1.00 0.00 C ATOM 1299 CG GLU A 86 87.932 -9.120 0.744 1.00 0.00 C ATOM 1300 CD GLU A 86 88.981 -10.211 0.970 1.00 0.00 C ATOM 1301 OE1 GLU A 86 88.616 -11.259 1.474 1.00 0.00 O ATOM 1302 OE2 GLU A 86 90.131 -9.978 0.635 1.00 0.00 O ATOM 0 H GLU A 86 86.757 -10.410 2.728 1.00 0.00 H new ATOM 0 HA GLU A 86 86.068 -7.701 3.286 1.00 0.00 H new ATOM 0 HB2 GLU A 86 88.065 -7.300 1.900 1.00 0.00 H new ATOM 0 HB3 GLU A 86 88.342 -8.757 2.833 1.00 0.00 H new ATOM 0 HG2 GLU A 86 86.989 -9.567 0.430 1.00 0.00 H new ATOM 0 HG3 GLU A 86 88.252 -8.454 -0.057 1.00 0.00 H new ATOM 1309 N ILE A 87 84.228 -7.358 1.640 1.00 0.00 N ATOM 1310 CA ILE A 87 83.297 -6.841 0.598 1.00 0.00 C ATOM 1311 C ILE A 87 84.075 -6.083 -0.474 1.00 0.00 C ATOM 1312 O ILE A 87 85.076 -5.449 -0.205 1.00 0.00 O ATOM 1313 CB ILE A 87 82.331 -5.890 1.313 1.00 0.00 C ATOM 1314 CG1 ILE A 87 83.046 -5.180 2.469 1.00 0.00 C ATOM 1315 CG2 ILE A 87 81.142 -6.682 1.855 1.00 0.00 C ATOM 1316 CD1 ILE A 87 82.616 -3.712 2.510 1.00 0.00 C ATOM 0 H ILE A 87 83.889 -7.283 2.599 1.00 0.00 H new ATOM 0 HA ILE A 87 82.764 -7.656 0.108 1.00 0.00 H new ATOM 0 HB ILE A 87 81.979 -5.142 0.603 1.00 0.00 H new ATOM 0 HG12 ILE A 87 82.805 -5.667 3.414 1.00 0.00 H new ATOM 0 HG13 ILE A 87 84.126 -5.250 2.341 1.00 0.00 H new ATOM 0 HG21 ILE A 87 80.455 -6.005 2.363 1.00 0.00 H new ATOM 0 HG22 ILE A 87 80.625 -7.172 1.030 1.00 0.00 H new ATOM 0 HG23 ILE A 87 81.497 -7.435 2.559 1.00 0.00 H new ATOM 0 HD11 ILE A 87 83.124 -3.207 3.332 1.00 0.00 H new ATOM 0 HD12 ILE A 87 82.879 -3.229 1.569 1.00 0.00 H new ATOM 0 HD13 ILE A 87 81.538 -3.653 2.659 1.00 0.00 H new ATOM 1328 N LYS A 88 83.612 -6.142 -1.683 1.00 0.00 N ATOM 1329 CA LYS A 88 84.305 -5.428 -2.790 1.00 0.00 C ATOM 1330 C LYS A 88 83.383 -4.348 -3.357 1.00 0.00 C ATOM 1331 O LYS A 88 82.178 -4.456 -3.288 1.00 0.00 O ATOM 1332 CB LYS A 88 84.588 -6.501 -3.840 1.00 0.00 C ATOM 1333 CG LYS A 88 85.624 -7.487 -3.296 1.00 0.00 C ATOM 1334 CD LYS A 88 87.011 -7.108 -3.818 1.00 0.00 C ATOM 1335 CE LYS A 88 87.143 -7.543 -5.280 1.00 0.00 C ATOM 1336 NZ LYS A 88 87.706 -6.357 -5.983 1.00 0.00 N ATOM 0 H LYS A 88 82.776 -6.658 -1.959 1.00 0.00 H new ATOM 0 HA LYS A 88 85.221 -4.935 -2.464 1.00 0.00 H new ATOM 0 HB2 LYS A 88 83.668 -7.027 -4.095 1.00 0.00 H new ATOM 0 HB3 LYS A 88 84.956 -6.040 -4.757 1.00 0.00 H new ATOM 0 HG2 LYS A 88 85.618 -7.473 -2.206 1.00 0.00 H new ATOM 0 HG3 LYS A 88 85.373 -8.502 -3.604 1.00 0.00 H new ATOM 0 HD2 LYS A 88 87.162 -6.032 -3.733 1.00 0.00 H new ATOM 0 HD3 LYS A 88 87.782 -7.587 -3.214 1.00 0.00 H new ATOM 0 HE2 LYS A 88 87.799 -8.408 -5.377 1.00 0.00 H new ATOM 0 HE3 LYS A 88 86.177 -7.827 -5.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 87.826 -6.576 -6.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 87.057 -5.551 -5.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 88.629 -6.114 -5.569 1.00 0.00 H new ATOM 1350 N LEU A 89 83.939 -3.309 -3.913 1.00 0.00 N ATOM 1351 CA LEU A 89 83.095 -2.223 -4.480 1.00 0.00 C ATOM 1352 C LEU A 89 83.297 -2.129 -5.993 1.00 0.00 C ATOM 1353 O LEU A 89 84.138 -2.797 -6.562 1.00 0.00 O ATOM 1354 CB LEU A 89 83.576 -0.943 -3.796 1.00 0.00 C ATOM 1355 CG LEU A 89 85.101 -0.950 -3.668 1.00 0.00 C ATOM 1356 CD1 LEU A 89 85.633 0.478 -3.801 1.00 0.00 C ATOM 1357 CD2 LEU A 89 85.495 -1.515 -2.301 1.00 0.00 C ATOM 0 H LEU A 89 84.945 -3.165 -3.999 1.00 0.00 H new ATOM 0 HA LEU A 89 82.033 -2.400 -4.312 1.00 0.00 H new ATOM 0 HB2 LEU A 89 83.256 -0.074 -4.370 1.00 0.00 H new ATOM 0 HB3 LEU A 89 83.122 -0.857 -2.809 1.00 0.00 H new ATOM 0 HG LEU A 89 85.528 -1.571 -4.456 1.00 0.00 H new ATOM 0 HD11 LEU A 89 86.719 0.472 -3.710 1.00 0.00 H new ATOM 0 HD12 LEU A 89 85.353 0.881 -4.774 1.00 0.00 H new ATOM 0 HD13 LEU A 89 85.206 1.100 -3.014 1.00 0.00 H new ATOM 0 HD21 LEU A 89 86.581 -1.520 -2.209 1.00 0.00 H new ATOM 0 HD22 LEU A 89 85.067 -0.894 -1.514 1.00 0.00 H new ATOM 0 HD23 LEU A 89 85.118 -2.533 -2.206 1.00 0.00 H new ATOM 1369 N GLU A 90 82.531 -1.302 -6.647 1.00 0.00 N ATOM 1370 CA GLU A 90 82.675 -1.160 -8.124 1.00 0.00 C ATOM 1371 C GLU A 90 81.948 0.098 -8.608 1.00 0.00 C ATOM 1372 O GLU A 90 80.918 0.473 -8.083 1.00 0.00 O ATOM 1373 CB GLU A 90 82.025 -2.415 -8.709 1.00 0.00 C ATOM 1374 CG GLU A 90 83.101 -3.301 -9.340 1.00 0.00 C ATOM 1375 CD GLU A 90 82.614 -4.751 -9.371 1.00 0.00 C ATOM 1376 OE1 GLU A 90 81.623 -5.007 -10.035 1.00 0.00 O ATOM 1377 OE2 GLU A 90 83.241 -5.580 -8.733 1.00 0.00 O ATOM 0 H GLU A 90 81.811 -0.717 -6.223 1.00 0.00 H new ATOM 0 HA GLU A 90 83.717 -1.061 -8.430 1.00 0.00 H new ATOM 0 HB2 GLU A 90 81.500 -2.964 -7.927 1.00 0.00 H new ATOM 0 HB3 GLU A 90 81.283 -2.138 -9.457 1.00 0.00 H new ATOM 0 HG2 GLU A 90 83.322 -2.959 -10.351 1.00 0.00 H new ATOM 0 HG3 GLU A 90 84.027 -3.229 -8.769 1.00 0.00 H new