USER MOD reduce.3.24.130724 H: found=0, std=0, add=912, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 914 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: B 131 CYS SG : rot -150:sc= -0.0634 USER MOD Set 1.2: B 135 MET CE :methyl 178:sc= -2.26 (180deg=-2.29) USER MOD Set 2.1: B 127 ASN :FLIP amide:sc= 1.27 F(o=-7,f=-1.1) USER MOD Set 2.2: B 130 ASN :FLIP amide:sc= -3.38! C(o=-6.9!,f=-1.1!) USER MOD Set 2.3: B 161 ASN :FLIP amide:sc= 1.01 F(o=-3.7,f=-1.1) USER MOD Set 3.1: A 66 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 70 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Set 4.1: A 27 ASN :FLIP amide:sc= 0 F(o=-4.3,f=-2.4) USER MOD Set 4.2: A 30 ASN : amide:sc= -0.932 K(o=-2.4,f=-11!) USER MOD Set 4.3: A 61 ASN : amide:sc= -1.48 K(o=-2.4,f=-11!) USER MOD Set 5.1: A 17 GLN : amide:sc=-0.00553 X(o=-2.8,f=-3.1) USER MOD Set 5.2: A 31 CYS SG : rot -160:sc= -0.542 USER MOD Set 5.3: A 35 MET CE :methyl -164:sc= -2.2! (180deg=-2.54!) USER MOD Single : A 22 LYS NZ :NH3+ -174:sc= -0.998! (180deg=-1.55!) USER MOD Single : A 23 MET CE :methyl 149:sc= -0.0304 (180deg=-0.459) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 85:sc= 1.19 USER MOD Single : A 36 HIS :FLIP no HE2:sc= 0.12 F(o=-0.62,f=0.12) USER MOD Single : A 37 HIS :FLIP no HE2:sc= 0.0528 F(o=-1.2,f=0.053) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -2.55! C(o=-2.5!,f=-6!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.0739 K(o=-0.074,f=-3.1!) USER MOD Single : A 53 THR OG1 : rot 66:sc= 1.15 USER MOD Single : A 54 SER OG : rot 72:sc= 0.958 USER MOD Single : A 58 ASN :FLIP amide:sc= 0 F(o=-0.63,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 THR OG1 : rot 91:sc= 1.22 USER MOD Single : A 72 SER OG : rot 52:sc= 1.12 USER MOD Single : B 117 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : B 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 123 MET CE :methyl 156:sc= -0.726 (180deg=-1.58) USER MOD Single : B 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 133 SER OG : rot 84:sc= 0.0731 USER MOD Single : B 136 HIS : no HD1:sc= -0.0232 X(o=-0.023,f=0) USER MOD Single : B 137 HIS :FLIP no HE2:sc= 0.181 F(o=-0.68,f=0.18) USER MOD Single : B 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 140 ASN : amide:sc= -3.09! C(o=-3.1!,f=-7.8!) USER MOD Single : B 148 SER OG : rot -170:sc= -0.975 USER MOD Single : B 149 GLN : amide:sc= -0.0378 X(o=-0.038,f=-0.38) USER MOD Single : B 153 THR OG1 : rot 71:sc= 1.14 USER MOD Single : B 154 SER OG : rot 180:sc= 0 USER MOD Single : B 158 ASN : amide:sc= -0.0348 X(o=-0.035,f=0) USER MOD Single : B 163 LYS NZ :NH3+ 161:sc= -0.114 (180deg=-0.508) USER MOD Single : B 164 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 166 TYR OH : rot 180:sc= 0 USER MOD Single : B 170 HIS : no HE2:sc= 0.35 K(o=0.35,f=-1.2) USER MOD Single : B 171 THR OG1 : rot 79:sc= 1.2 USER MOD Single : B 172 SER OG : rot 46:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 217 N GLY A 15 10.079 1.863 8.534 1.00 0.00 N ATOM 218 CA GLY A 15 8.844 2.526 8.114 1.00 0.00 C ATOM 219 C GLY A 15 8.010 1.709 7.137 1.00 0.00 C ATOM 220 O GLY A 15 6.935 1.206 7.496 1.00 0.00 O ATOM 0 HA2 GLY A 15 8.242 2.745 8.996 1.00 0.00 H new ATOM 0 HA3 GLY A 15 9.094 3.482 7.653 1.00 0.00 H new ATOM 224 N PRO A 16 8.458 1.574 5.894 1.00 0.00 N ATOM 225 CA PRO A 16 7.757 0.787 4.897 1.00 0.00 C ATOM 226 C PRO A 16 7.901 -0.745 5.153 1.00 0.00 C ATOM 227 O PRO A 16 7.062 -1.534 4.723 1.00 0.00 O ATOM 228 CB PRO A 16 8.426 1.239 3.589 1.00 0.00 C ATOM 229 CG PRO A 16 9.807 1.560 4.002 1.00 0.00 C ATOM 230 CD PRO A 16 9.667 2.213 5.333 1.00 0.00 C ATOM 0 HA PRO A 16 6.678 0.942 4.897 1.00 0.00 H new ATOM 0 HB2 PRO A 16 8.405 0.452 2.835 1.00 0.00 H new ATOM 0 HB3 PRO A 16 7.924 2.106 3.160 1.00 0.00 H new ATOM 0 HG2 PRO A 16 10.419 0.661 4.066 1.00 0.00 H new ATOM 0 HG3 PRO A 16 10.290 2.224 3.285 1.00 0.00 H new ATOM 0 HD2 PRO A 16 10.542 2.041 5.960 1.00 0.00 H new ATOM 0 HD3 PRO A 16 9.547 3.293 5.242 1.00 0.00 H new ATOM 238 N GLN A 17 8.940 -1.151 5.898 1.00 0.00 N ATOM 239 CA GLN A 17 9.153 -2.576 6.214 1.00 0.00 C ATOM 240 C GLN A 17 8.066 -3.076 7.167 1.00 0.00 C ATOM 241 O GLN A 17 7.454 -4.126 6.948 1.00 0.00 O ATOM 242 CB GLN A 17 10.547 -2.817 6.804 1.00 0.00 C ATOM 243 CG GLN A 17 10.821 -4.273 7.153 1.00 0.00 C ATOM 244 CD GLN A 17 12.231 -4.518 7.652 1.00 0.00 C ATOM 245 OE1 GLN A 17 12.856 -3.654 8.276 1.00 0.00 O ATOM 246 NE2 GLN A 17 12.745 -5.689 7.382 1.00 0.00 N ATOM 0 H GLN A 17 9.641 -0.522 6.291 1.00 0.00 H new ATOM 0 HA GLN A 17 9.089 -3.141 5.284 1.00 0.00 H new ATOM 0 HB2 GLN A 17 11.297 -2.476 6.091 1.00 0.00 H new ATOM 0 HB3 GLN A 17 10.662 -2.210 7.702 1.00 0.00 H new ATOM 0 HG2 GLN A 17 10.112 -4.595 7.916 1.00 0.00 H new ATOM 0 HG3 GLN A 17 10.643 -4.890 6.272 1.00 0.00 H new ATOM 0 HE21 GLN A 17 12.200 -6.378 6.864 1.00 0.00 H new ATOM 0 HE22 GLN A 17 13.691 -5.914 7.689 1.00 0.00 H new ATOM 255 N ASP A 18 7.805 -2.291 8.198 1.00 0.00 N ATOM 256 CA ASP A 18 6.731 -2.565 9.167 1.00 0.00 C ATOM 257 C ASP A 18 5.398 -2.550 8.462 1.00 0.00 C ATOM 258 O ASP A 18 4.452 -3.245 8.852 1.00 0.00 O ATOM 259 CB ASP A 18 6.736 -1.532 10.311 1.00 0.00 C ATOM 260 CG ASP A 18 5.588 -1.695 11.287 1.00 0.00 C ATOM 261 OD1 ASP A 18 5.583 -2.672 12.058 1.00 0.00 O ATOM 262 OD2 ASP A 18 4.684 -0.816 11.332 1.00 0.00 O ATOM 0 H ASP A 18 8.329 -1.439 8.397 1.00 0.00 H new ATOM 0 HA ASP A 18 6.903 -3.549 9.603 1.00 0.00 H new ATOM 0 HB2 ASP A 18 7.677 -1.611 10.855 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.698 -0.530 9.884 1.00 0.00 H new ATOM 267 N PHE A 19 5.339 -1.770 7.393 1.00 0.00 N ATOM 268 CA PHE A 19 4.134 -1.605 6.637 1.00 0.00 C ATOM 269 C PHE A 19 3.805 -2.901 5.905 1.00 0.00 C ATOM 270 O PHE A 19 2.649 -3.252 5.757 1.00 0.00 O ATOM 271 CB PHE A 19 4.295 -0.451 5.668 1.00 0.00 C ATOM 272 CG PHE A 19 3.017 0.126 5.199 1.00 0.00 C ATOM 273 CD1 PHE A 19 2.211 0.809 6.090 1.00 0.00 C ATOM 274 CD2 PHE A 19 2.631 0.029 3.880 1.00 0.00 C ATOM 275 CE1 PHE A 19 1.039 1.388 5.681 1.00 0.00 C ATOM 276 CE2 PHE A 19 1.449 0.606 3.462 1.00 0.00 C ATOM 277 CZ PHE A 19 0.656 1.289 4.367 1.00 0.00 C ATOM 0 H PHE A 19 6.133 -1.239 7.035 1.00 0.00 H new ATOM 0 HA PHE A 19 3.306 -1.374 7.307 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.881 0.333 6.148 1.00 0.00 H new ATOM 0 HB3 PHE A 19 4.866 -0.793 4.804 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.510 0.887 7.125 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.254 -0.499 3.173 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.420 1.919 6.389 1.00 0.00 H new ATOM 0 HE2 PHE A 19 1.143 0.524 2.429 1.00 0.00 H new ATOM 0 HZ PHE A 19 -0.266 1.745 4.039 1.00 0.00 H new ATOM 287 N LEU A 20 4.834 -3.600 5.472 1.00 0.00 N ATOM 288 CA LEU A 20 4.678 -4.893 4.841 1.00 0.00 C ATOM 289 C LEU A 20 4.286 -5.923 5.852 1.00 0.00 C ATOM 290 O LEU A 20 3.311 -6.615 5.685 1.00 0.00 O ATOM 291 CB LEU A 20 5.968 -5.352 4.195 1.00 0.00 C ATOM 292 CG LEU A 20 6.514 -4.496 3.092 1.00 0.00 C ATOM 293 CD1 LEU A 20 7.800 -5.098 2.583 1.00 0.00 C ATOM 294 CD2 LEU A 20 5.501 -4.357 1.971 1.00 0.00 C ATOM 0 H LEU A 20 5.802 -3.287 5.548 1.00 0.00 H new ATOM 0 HA LEU A 20 3.904 -4.784 4.081 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.728 -5.430 4.972 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.812 -6.356 3.800 1.00 0.00 H new ATOM 0 HG LEU A 20 6.718 -3.498 3.479 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.200 -4.478 1.781 1.00 0.00 H new ATOM 0 HD12 LEU A 20 8.524 -5.150 3.396 1.00 0.00 H new ATOM 0 HD13 LEU A 20 7.607 -6.102 2.204 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.917 -3.732 1.180 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.266 -5.342 1.569 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.592 -3.896 2.357 1.00 0.00 H new ATOM 306 N LEU A 21 5.043 -5.989 6.934 1.00 0.00 N ATOM 307 CA LEU A 21 4.878 -7.025 7.962 1.00 0.00 C ATOM 308 C LEU A 21 3.505 -7.027 8.625 1.00 0.00 C ATOM 309 O LEU A 21 3.147 -7.989 9.313 1.00 0.00 O ATOM 310 CB LEU A 21 5.965 -6.921 9.016 1.00 0.00 C ATOM 311 CG LEU A 21 7.398 -7.066 8.517 1.00 0.00 C ATOM 312 CD1 LEU A 21 8.381 -6.796 9.638 1.00 0.00 C ATOM 313 CD2 LEU A 21 7.626 -8.455 7.955 1.00 0.00 C ATOM 0 H LEU A 21 5.794 -5.328 7.133 1.00 0.00 H new ATOM 0 HA LEU A 21 4.966 -7.975 7.434 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.870 -5.955 9.512 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.785 -7.686 9.771 1.00 0.00 H new ATOM 0 HG LEU A 21 7.558 -6.335 7.725 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.399 -6.904 9.263 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.238 -5.782 10.011 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.215 -7.507 10.447 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.654 -8.541 7.603 1.00 0.00 H new ATOM 0 HD22 LEU A 21 7.445 -9.197 8.733 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.943 -8.628 7.124 1.00 0.00 H new ATOM 325 N LYS A 22 2.750 -5.972 8.437 1.00 0.00 N ATOM 326 CA LYS A 22 1.427 -5.896 8.996 1.00 0.00 C ATOM 327 C LYS A 22 0.380 -6.325 7.983 1.00 0.00 C ATOM 328 O LYS A 22 -0.788 -6.491 8.321 1.00 0.00 O ATOM 329 CB LYS A 22 1.127 -4.506 9.501 1.00 0.00 C ATOM 330 CG LYS A 22 1.122 -3.449 8.437 1.00 0.00 C ATOM 331 CD LYS A 22 0.701 -2.111 8.977 1.00 0.00 C ATOM 332 CE LYS A 22 1.820 -1.355 9.747 1.00 0.00 C ATOM 333 NZ LYS A 22 2.293 -2.024 10.987 1.00 0.00 N ATOM 0 H LYS A 22 3.033 -5.153 7.899 1.00 0.00 H new ATOM 0 HA LYS A 22 1.390 -6.583 9.841 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.155 -4.513 9.994 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.865 -4.240 10.257 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.118 -3.368 8.002 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.447 -3.745 7.634 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.360 -1.489 8.150 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.151 -2.252 9.642 1.00 0.00 H new ATOM 0 HE2 LYS A 22 2.671 -1.218 9.079 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.454 -0.361 10.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.962 -1.402 11.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.481 -2.223 11.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 2.768 -2.916 10.741 1.00 0.00 H new ATOM 347 N MET A 23 0.794 -6.523 6.753 1.00 0.00 N ATOM 348 CA MET A 23 -0.125 -6.898 5.706 1.00 0.00 C ATOM 349 C MET A 23 -0.377 -8.401 5.782 1.00 0.00 C ATOM 350 O MET A 23 0.572 -9.177 5.979 1.00 0.00 O ATOM 351 CB MET A 23 0.434 -6.577 4.314 1.00 0.00 C ATOM 352 CG MET A 23 0.830 -5.133 4.066 1.00 0.00 C ATOM 353 SD MET A 23 1.353 -4.890 2.352 1.00 0.00 S ATOM 354 CE MET A 23 1.790 -3.161 2.336 1.00 0.00 C ATOM 0 H MET A 23 1.765 -6.430 6.453 1.00 0.00 H new ATOM 0 HA MET A 23 -1.044 -6.331 5.851 1.00 0.00 H new ATOM 0 HB2 MET A 23 1.308 -7.206 4.143 1.00 0.00 H new ATOM 0 HB3 MET A 23 -0.313 -6.860 3.572 1.00 0.00 H new ATOM 0 HG2 MET A 23 -0.012 -4.478 4.289 1.00 0.00 H new ATOM 0 HG3 MET A 23 1.639 -4.853 4.740 1.00 0.00 H new ATOM 0 HE1 MET A 23 2.590 -2.995 1.615 1.00 0.00 H new ATOM 0 HE2 MET A 23 0.919 -2.568 2.055 1.00 0.00 H new ATOM 0 HE3 MET A 23 2.128 -2.862 3.328 1.00 0.00 H new ATOM 364 N PRO A 24 -1.634 -8.843 5.662 1.00 0.00 N ATOM 365 CA PRO A 24 -1.964 -10.272 5.670 1.00 0.00 C ATOM 366 C PRO A 24 -1.356 -10.981 4.459 1.00 0.00 C ATOM 367 O PRO A 24 -1.610 -10.606 3.320 1.00 0.00 O ATOM 368 CB PRO A 24 -3.495 -10.306 5.601 1.00 0.00 C ATOM 369 CG PRO A 24 -3.895 -8.967 5.087 1.00 0.00 C ATOM 370 CD PRO A 24 -2.830 -8.000 5.517 1.00 0.00 C ATOM 0 HA PRO A 24 -1.571 -10.782 6.550 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -3.841 -11.101 4.940 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -3.929 -10.496 6.583 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -3.988 -8.982 4.001 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -4.866 -8.674 5.486 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -2.679 -7.215 4.776 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -3.090 -7.508 6.455 1.00 0.00 H new ATOM 378 N GLY A 25 -0.544 -11.973 4.717 1.00 0.00 N ATOM 379 CA GLY A 25 0.125 -12.672 3.665 1.00 0.00 C ATOM 380 C GLY A 25 1.615 -12.476 3.790 1.00 0.00 C ATOM 381 O GLY A 25 2.407 -13.242 3.261 1.00 0.00 O ATOM 0 H GLY A 25 -0.333 -12.312 5.655 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.117 -13.734 3.710 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.219 -12.308 2.697 1.00 0.00 H new ATOM 385 N VAL A 26 1.992 -11.451 4.513 1.00 0.00 N ATOM 386 CA VAL A 26 3.379 -11.111 4.681 1.00 0.00 C ATOM 387 C VAL A 26 3.947 -11.679 5.971 1.00 0.00 C ATOM 388 O VAL A 26 3.312 -11.634 7.038 1.00 0.00 O ATOM 389 CB VAL A 26 3.604 -9.578 4.631 1.00 0.00 C ATOM 390 CG1 VAL A 26 5.072 -9.212 4.858 1.00 0.00 C ATOM 391 CG2 VAL A 26 3.126 -9.029 3.304 1.00 0.00 C ATOM 0 H VAL A 26 1.345 -10.831 5.000 1.00 0.00 H new ATOM 0 HA VAL A 26 3.912 -11.564 3.845 1.00 0.00 H new ATOM 0 HB VAL A 26 3.026 -9.129 5.439 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.188 -8.129 4.815 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.390 -9.573 5.836 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.686 -9.673 4.084 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.287 -7.951 3.277 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.682 -9.500 2.494 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.063 -9.240 3.185 1.00 0.00 H new ATOM 401 N ASN A 27 5.130 -12.217 5.845 1.00 0.00 N ATOM 402 CA ASN A 27 5.913 -12.749 6.938 1.00 0.00 C ATOM 403 C ASN A 27 7.294 -12.205 6.750 1.00 0.00 C ATOM 404 O ASN A 27 7.629 -11.803 5.642 1.00 0.00 O ATOM 405 CB ASN A 27 5.983 -14.284 6.911 1.00 0.00 C ATOM 406 CG ASN A 27 4.638 -14.962 6.983 1.00 0.00 C ATOM 407 OD1 ASN A 27 4.123 -15.353 5.861 1.00 0.00 O flip ATOM 408 ND2 ASN A 27 4.103 -15.192 8.064 1.00 0.00 N flip ATOM 0 H ASN A 27 5.598 -12.302 4.943 1.00 0.00 H new ATOM 0 HA ASN A 27 5.461 -12.466 7.889 1.00 0.00 H new ATOM 0 HB2 ASN A 27 6.488 -14.598 5.998 1.00 0.00 H new ATOM 0 HB3 ASN A 27 6.595 -14.624 7.747 1.00 0.00 H new ATOM 0 HD21 ASN A 27 4.538 -14.868 8.928 1.00 0.00 H new ATOM 0 HD22 ASN A 27 3.223 -15.707 8.098 1.00 0.00 H new ATOM 415 N ALA A 28 8.114 -12.234 7.774 1.00 0.00 N ATOM 416 CA ALA A 28 9.461 -11.661 7.709 1.00 0.00 C ATOM 417 C ALA A 28 10.316 -12.299 6.615 1.00 0.00 C ATOM 418 O ALA A 28 11.181 -11.637 6.022 1.00 0.00 O ATOM 419 CB ALA A 28 10.148 -11.753 9.060 1.00 0.00 C ATOM 0 H ALA A 28 7.880 -12.650 8.675 1.00 0.00 H new ATOM 0 HA ALA A 28 9.349 -10.609 7.445 1.00 0.00 H new ATOM 0 HB1 ALA A 28 11.147 -11.322 8.990 1.00 0.00 H new ATOM 0 HB2 ALA A 28 9.567 -11.205 9.802 1.00 0.00 H new ATOM 0 HB3 ALA A 28 10.224 -12.798 9.359 1.00 0.00 H new ATOM 425 N LYS A 29 10.023 -13.544 6.295 1.00 0.00 N ATOM 426 CA LYS A 29 10.794 -14.270 5.307 1.00 0.00 C ATOM 427 C LYS A 29 10.410 -13.833 3.894 1.00 0.00 C ATOM 428 O LYS A 29 11.267 -13.590 3.007 1.00 0.00 O ATOM 429 CB LYS A 29 10.620 -15.791 5.495 1.00 0.00 C ATOM 430 CG LYS A 29 9.189 -16.316 5.377 1.00 0.00 C ATOM 431 CD LYS A 29 9.131 -17.827 5.555 1.00 0.00 C ATOM 432 CE LYS A 29 9.604 -18.264 6.937 1.00 0.00 C ATOM 433 NZ LYS A 29 9.625 -19.732 7.076 1.00 0.00 N ATOM 0 H LYS A 29 9.255 -14.074 6.706 1.00 0.00 H new ATOM 0 HA LYS A 29 11.849 -14.036 5.449 1.00 0.00 H new ATOM 0 HB2 LYS A 29 11.237 -16.302 4.756 1.00 0.00 H new ATOM 0 HB3 LYS A 29 11.007 -16.063 6.477 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.561 -15.836 6.128 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.781 -16.048 4.402 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.109 -18.170 5.398 1.00 0.00 H new ATOM 0 HD3 LYS A 29 9.748 -18.304 4.794 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.603 -17.868 7.120 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.948 -17.837 7.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.952 -19.986 8.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.667 -20.109 6.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.270 -20.138 6.369 1.00 0.00 H new ATOM 447 N ASN A 30 9.146 -13.637 3.690 1.00 0.00 N ATOM 448 CA ASN A 30 8.699 -13.303 2.378 1.00 0.00 C ATOM 449 C ASN A 30 8.801 -11.816 2.152 1.00 0.00 C ATOM 450 O ASN A 30 8.847 -11.367 1.043 1.00 0.00 O ATOM 451 CB ASN A 30 7.310 -13.884 2.054 1.00 0.00 C ATOM 452 CG ASN A 30 6.119 -13.301 2.824 1.00 0.00 C ATOM 453 OD1 ASN A 30 6.097 -12.151 3.210 1.00 0.00 O ATOM 454 ND2 ASN A 30 5.139 -14.113 3.063 1.00 0.00 N ATOM 0 H ASN A 30 8.418 -13.701 4.401 1.00 0.00 H new ATOM 0 HA ASN A 30 9.365 -13.783 1.661 1.00 0.00 H new ATOM 0 HB2 ASN A 30 7.125 -13.748 0.989 1.00 0.00 H new ATOM 0 HB3 ASN A 30 7.340 -14.958 2.237 1.00 0.00 H new ATOM 0 HD21 ASN A 30 4.325 -13.790 3.586 1.00 0.00 H new ATOM 0 HD22 ASN A 30 5.181 -15.075 2.728 1.00 0.00 H new ATOM 461 N CYS A 31 8.908 -11.090 3.243 1.00 0.00 N ATOM 462 CA CYS A 31 9.084 -9.652 3.249 1.00 0.00 C ATOM 463 C CYS A 31 10.462 -9.300 2.753 1.00 0.00 C ATOM 464 O CYS A 31 10.604 -8.425 1.936 1.00 0.00 O ATOM 465 CB CYS A 31 8.892 -9.111 4.659 1.00 0.00 C ATOM 466 SG CYS A 31 9.184 -7.349 4.886 1.00 0.00 S ATOM 0 H CYS A 31 8.874 -11.495 4.179 1.00 0.00 H new ATOM 0 HA CYS A 31 8.341 -9.203 2.589 1.00 0.00 H new ATOM 0 HB2 CYS A 31 7.872 -9.332 4.974 1.00 0.00 H new ATOM 0 HB3 CYS A 31 9.557 -9.657 5.328 1.00 0.00 H new ATOM 0 HG CYS A 31 9.401 -7.104 6.144 1.00 0.00 H new ATOM 472 N ARG A 32 11.487 -10.006 3.237 1.00 0.00 N ATOM 473 CA ARG A 32 12.847 -9.750 2.776 1.00 0.00 C ATOM 474 C ARG A 32 12.937 -10.068 1.291 1.00 0.00 C ATOM 475 O ARG A 32 13.484 -9.293 0.494 1.00 0.00 O ATOM 476 CB ARG A 32 13.873 -10.554 3.600 1.00 0.00 C ATOM 477 CG ARG A 32 13.777 -12.071 3.481 1.00 0.00 C ATOM 478 CD ARG A 32 14.817 -12.638 2.498 1.00 0.00 C ATOM 479 NE ARG A 32 14.735 -14.097 2.393 1.00 0.00 N ATOM 480 CZ ARG A 32 15.392 -14.857 1.494 1.00 0.00 C ATOM 481 NH1 ARG A 32 16.292 -14.311 0.680 1.00 0.00 N ATOM 482 NH2 ARG A 32 15.177 -16.171 1.451 1.00 0.00 N ATOM 0 H ARG A 32 11.401 -10.745 3.935 1.00 0.00 H new ATOM 0 HA ARG A 32 13.089 -8.697 2.922 1.00 0.00 H new ATOM 0 HB2 ARG A 32 14.874 -10.247 3.297 1.00 0.00 H new ATOM 0 HB3 ARG A 32 13.760 -10.283 4.650 1.00 0.00 H new ATOM 0 HG2 ARG A 32 13.922 -12.522 4.463 1.00 0.00 H new ATOM 0 HG3 ARG A 32 12.776 -12.346 3.149 1.00 0.00 H new ATOM 0 HD2 ARG A 32 14.665 -12.195 1.514 1.00 0.00 H new ATOM 0 HD3 ARG A 32 15.817 -12.354 2.825 1.00 0.00 H new ATOM 0 HE ARG A 32 14.129 -14.579 3.057 1.00 0.00 H new ATOM 0 HH11 ARG A 32 16.488 -13.312 0.734 1.00 0.00 H new ATOM 0 HH12 ARG A 32 16.785 -14.892 0.002 1.00 0.00 H new ATOM 0 HH21 ARG A 32 14.516 -16.601 2.098 1.00 0.00 H new ATOM 0 HH22 ARG A 32 15.673 -16.747 0.771 1.00 0.00 H new ATOM 496 N SER A 33 12.341 -11.186 0.927 1.00 0.00 N ATOM 497 CA SER A 33 12.274 -11.618 -0.444 1.00 0.00 C ATOM 498 C SER A 33 11.562 -10.537 -1.293 1.00 0.00 C ATOM 499 O SER A 33 12.057 -10.092 -2.348 1.00 0.00 O ATOM 500 CB SER A 33 11.487 -12.924 -0.474 1.00 0.00 C ATOM 501 OG SER A 33 12.082 -13.909 0.375 1.00 0.00 O ATOM 0 H SER A 33 11.888 -11.821 1.584 1.00 0.00 H new ATOM 0 HA SER A 33 13.271 -11.771 -0.857 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.461 -12.740 -0.157 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.442 -13.301 -1.496 1.00 0.00 H new ATOM 0 HG SER A 33 11.767 -13.782 1.294 1.00 0.00 H new ATOM 507 N LEU A 34 10.463 -10.064 -0.759 1.00 0.00 N ATOM 508 CA LEU A 34 9.601 -9.084 -1.410 1.00 0.00 C ATOM 509 C LEU A 34 10.345 -7.810 -1.613 1.00 0.00 C ATOM 510 O LEU A 34 10.329 -7.232 -2.671 1.00 0.00 O ATOM 511 CB LEU A 34 8.423 -8.759 -0.529 1.00 0.00 C ATOM 512 CG LEU A 34 7.305 -7.998 -1.211 1.00 0.00 C ATOM 513 CD1 LEU A 34 6.440 -8.910 -2.059 1.00 0.00 C ATOM 514 CD2 LEU A 34 6.507 -7.220 -0.219 1.00 0.00 C ATOM 0 H LEU A 34 10.127 -10.350 0.161 1.00 0.00 H new ATOM 0 HA LEU A 34 9.274 -9.508 -2.359 1.00 0.00 H new ATOM 0 HB2 LEU A 34 8.019 -9.690 -0.131 1.00 0.00 H new ATOM 0 HB3 LEU A 34 8.774 -8.174 0.321 1.00 0.00 H new ATOM 0 HG LEU A 34 7.757 -7.281 -1.896 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.650 -8.326 -2.531 1.00 0.00 H new ATOM 0 HD12 LEU A 34 7.052 -9.381 -2.828 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.995 -9.679 -1.428 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.711 -6.683 -0.734 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.071 -7.901 0.512 1.00 0.00 H new ATOM 0 HD23 LEU A 34 7.155 -6.507 0.291 1.00 0.00 H new ATOM 526 N MET A 35 11.029 -7.429 -0.593 1.00 0.00 N ATOM 527 CA MET A 35 11.767 -6.200 -0.509 1.00 0.00 C ATOM 528 C MET A 35 12.808 -6.127 -1.600 1.00 0.00 C ATOM 529 O MET A 35 13.121 -5.053 -2.119 1.00 0.00 O ATOM 530 CB MET A 35 12.394 -6.151 0.860 1.00 0.00 C ATOM 531 CG MET A 35 12.903 -4.816 1.285 1.00 0.00 C ATOM 532 SD MET A 35 13.397 -4.824 3.008 1.00 0.00 S ATOM 533 CE MET A 35 11.852 -5.323 3.807 1.00 0.00 C ATOM 0 H MET A 35 11.098 -7.990 0.256 1.00 0.00 H new ATOM 0 HA MET A 35 11.111 -5.341 -0.650 1.00 0.00 H new ATOM 0 HB2 MET A 35 11.658 -6.489 1.590 1.00 0.00 H new ATOM 0 HB3 MET A 35 13.220 -6.861 0.888 1.00 0.00 H new ATOM 0 HG2 MET A 35 13.752 -4.533 0.663 1.00 0.00 H new ATOM 0 HG3 MET A 35 12.130 -4.064 1.130 1.00 0.00 H new ATOM 0 HE1 MET A 35 11.906 -5.103 4.873 1.00 0.00 H new ATOM 0 HE2 MET A 35 11.020 -4.774 3.365 1.00 0.00 H new ATOM 0 HE3 MET A 35 11.698 -6.393 3.665 1.00 0.00 H new ATOM 543 N HIS A 36 13.326 -7.273 -1.966 1.00 0.00 N ATOM 544 CA HIS A 36 14.299 -7.353 -3.026 1.00 0.00 C ATOM 545 C HIS A 36 13.650 -7.431 -4.397 1.00 0.00 C ATOM 546 O HIS A 36 14.279 -7.083 -5.399 1.00 0.00 O ATOM 547 CB HIS A 36 15.274 -8.509 -2.812 1.00 0.00 C ATOM 548 CG HIS A 36 16.225 -8.289 -1.675 1.00 0.00 C ATOM 549 ND1 HIS A 36 15.989 -7.976 -0.385 1.00 0.00 N flip ATOM 550 CD2 HIS A 36 17.591 -8.380 -1.791 1.00 0.00 C flip ATOM 551 CE1 HIS A 36 17.187 -7.883 0.239 1.00 0.00 C flip ATOM 552 NE2 HIS A 36 18.144 -8.130 -0.622 1.00 0.00 N flip ATOM 0 H HIS A 36 13.088 -8.169 -1.542 1.00 0.00 H new ATOM 0 HA HIS A 36 14.871 -6.426 -2.993 1.00 0.00 H new ATOM 0 HB2 HIS A 36 14.707 -9.422 -2.629 1.00 0.00 H new ATOM 0 HB3 HIS A 36 15.845 -8.666 -3.727 1.00 0.00 H new ATOM 0 HD1 HIS A 36 15.074 -7.835 0.043 1.00 0.00 H new ATOM 0 HD2 HIS A 36 18.127 -8.619 -2.698 1.00 0.00 H new ATOM 0 HE1 HIS A 36 17.331 -7.643 1.282 1.00 0.00 H new ATOM 561 N HIS A 37 12.393 -7.857 -4.459 1.00 0.00 N ATOM 562 CA HIS A 37 11.696 -7.968 -5.762 1.00 0.00 C ATOM 563 C HIS A 37 10.835 -6.754 -6.062 1.00 0.00 C ATOM 564 O HIS A 37 10.472 -6.502 -7.199 1.00 0.00 O ATOM 565 CB HIS A 37 10.841 -9.231 -5.843 1.00 0.00 C ATOM 566 CG HIS A 37 11.608 -10.504 -6.016 1.00 0.00 C ATOM 567 ND1 HIS A 37 12.390 -11.196 -5.162 1.00 0.00 N flip ATOM 568 CD2 HIS A 37 11.581 -11.234 -7.171 1.00 0.00 C flip ATOM 569 CE1 HIS A 37 12.812 -12.319 -5.810 1.00 0.00 C flip ATOM 570 NE2 HIS A 37 12.309 -12.315 -7.022 1.00 0.00 N flip ATOM 0 H HIS A 37 11.835 -8.129 -3.649 1.00 0.00 H new ATOM 0 HA HIS A 37 12.482 -8.025 -6.515 1.00 0.00 H new ATOM 0 HB2 HIS A 37 10.243 -9.305 -4.935 1.00 0.00 H new ATOM 0 HB3 HIS A 37 10.145 -9.128 -6.676 1.00 0.00 H new ATOM 0 HD1 HIS A 37 12.623 -10.928 -4.206 1.00 0.00 H new ATOM 0 HD2 HIS A 37 11.043 -10.963 -8.068 1.00 0.00 H new ATOM 0 HE1 HIS A 37 13.453 -13.083 -5.395 1.00 0.00 H new ATOM 579 N VAL A 38 10.531 -6.012 -5.049 1.00 0.00 N ATOM 580 CA VAL A 38 9.657 -4.870 -5.152 1.00 0.00 C ATOM 581 C VAL A 38 10.452 -3.600 -4.803 1.00 0.00 C ATOM 582 O VAL A 38 11.554 -3.678 -4.249 1.00 0.00 O ATOM 583 CB VAL A 38 8.428 -5.051 -4.168 1.00 0.00 C ATOM 584 CG1 VAL A 38 7.442 -3.913 -4.250 1.00 0.00 C ATOM 585 CG2 VAL A 38 7.697 -6.352 -4.449 1.00 0.00 C ATOM 0 H VAL A 38 10.884 -6.177 -4.107 1.00 0.00 H new ATOM 0 HA VAL A 38 9.273 -4.781 -6.168 1.00 0.00 H new ATOM 0 HB VAL A 38 8.848 -5.065 -3.162 1.00 0.00 H new ATOM 0 HG11 VAL A 38 6.622 -4.091 -3.554 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.941 -2.979 -3.991 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.049 -3.845 -5.264 1.00 0.00 H new ATOM 0 HG21 VAL A 38 6.858 -6.454 -3.761 1.00 0.00 H new ATOM 0 HG22 VAL A 38 7.327 -6.347 -5.474 1.00 0.00 H new ATOM 0 HG23 VAL A 38 8.381 -7.190 -4.314 1.00 0.00 H new ATOM 595 N LYS A 39 9.960 -2.463 -5.230 1.00 0.00 N ATOM 596 CA LYS A 39 10.519 -1.187 -4.839 1.00 0.00 C ATOM 597 C LYS A 39 9.905 -0.818 -3.509 1.00 0.00 C ATOM 598 O LYS A 39 10.580 -0.813 -2.492 1.00 0.00 O ATOM 599 CB LYS A 39 10.206 -0.127 -5.902 1.00 0.00 C ATOM 600 CG LYS A 39 10.598 1.311 -5.552 1.00 0.00 C ATOM 601 CD LYS A 39 10.187 2.245 -6.677 1.00 0.00 C ATOM 602 CE LYS A 39 10.175 3.711 -6.265 1.00 0.00 C ATOM 603 NZ LYS A 39 11.511 4.282 -5.944 1.00 0.00 N ATOM 0 H LYS A 39 9.160 -2.393 -5.859 1.00 0.00 H new ATOM 0 HA LYS A 39 11.604 -1.245 -4.749 1.00 0.00 H new ATOM 0 HB2 LYS A 39 10.713 -0.406 -6.825 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.136 -0.151 -6.107 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.116 1.613 -4.622 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.674 1.375 -5.389 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.871 2.116 -7.516 1.00 0.00 H new ATOM 0 HD3 LYS A 39 9.194 1.965 -7.029 1.00 0.00 H new ATOM 0 HE2 LYS A 39 9.730 4.296 -7.070 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.529 3.823 -5.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.406 5.281 -5.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.934 3.753 -5.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.128 4.211 -6.778 1.00 0.00 H new ATOM 617 N ASN A 40 8.617 -0.563 -3.531 1.00 0.00 N ATOM 618 CA ASN A 40 7.844 -0.261 -2.368 1.00 0.00 C ATOM 619 C ASN A 40 6.384 -0.515 -2.733 1.00 0.00 C ATOM 620 O ASN A 40 6.128 -0.975 -3.857 1.00 0.00 O ATOM 621 CB ASN A 40 8.084 1.203 -1.944 1.00 0.00 C ATOM 622 CG ASN A 40 7.394 1.582 -0.652 1.00 0.00 C ATOM 623 OD1 ASN A 40 7.156 0.753 0.212 1.00 0.00 O ATOM 624 ND2 ASN A 40 7.072 2.804 -0.526 1.00 0.00 N ATOM 0 H ASN A 40 8.069 -0.562 -4.391 1.00 0.00 H new ATOM 0 HA ASN A 40 8.127 -0.884 -1.519 1.00 0.00 H new ATOM 0 HB2 ASN A 40 9.156 1.370 -1.836 1.00 0.00 H new ATOM 0 HB3 ASN A 40 7.737 1.864 -2.738 1.00 0.00 H new ATOM 0 HD21 ASN A 40 6.598 3.122 0.319 1.00 0.00 H new ATOM 0 HD22 ASN A 40 7.288 3.468 -1.270 1.00 0.00 H new ATOM 631 N ILE A 41 5.479 -0.216 -1.803 1.00 0.00 N ATOM 632 CA ILE A 41 4.001 -0.316 -1.877 1.00 0.00 C ATOM 633 C ILE A 41 3.447 -0.309 -3.310 1.00 0.00 C ATOM 634 O ILE A 41 2.731 -1.222 -3.701 1.00 0.00 O ATOM 635 CB ILE A 41 3.406 0.904 -1.142 1.00 0.00 C ATOM 636 CG1 ILE A 41 3.843 0.924 0.326 1.00 0.00 C ATOM 637 CG2 ILE A 41 1.872 0.941 -1.252 1.00 0.00 C ATOM 638 CD1 ILE A 41 3.425 2.170 1.072 1.00 0.00 C ATOM 0 H ILE A 41 5.776 0.135 -0.892 1.00 0.00 H new ATOM 0 HA ILE A 41 3.724 -1.270 -1.427 1.00 0.00 H new ATOM 0 HB ILE A 41 3.794 1.798 -1.630 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.426 0.053 0.831 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.928 0.831 0.373 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.490 1.814 -0.722 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.584 0.999 -2.302 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.454 0.037 -0.810 1.00 0.00 H new ATOM 0 HD11 ILE A 41 3.771 2.109 2.104 1.00 0.00 H new ATOM 0 HD12 ILE A 41 3.864 3.045 0.593 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.338 2.255 1.058 1.00 0.00 H new ATOM 650 N ALA A 42 3.799 0.726 -4.071 1.00 0.00 N ATOM 651 CA ALA A 42 3.327 0.908 -5.446 1.00 0.00 C ATOM 652 C ALA A 42 3.547 -0.319 -6.317 1.00 0.00 C ATOM 653 O ALA A 42 2.634 -0.786 -6.981 1.00 0.00 O ATOM 654 CB ALA A 42 3.999 2.112 -6.064 1.00 0.00 C ATOM 0 H ALA A 42 4.423 1.467 -3.751 1.00 0.00 H new ATOM 0 HA ALA A 42 2.250 1.067 -5.395 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.644 2.242 -7.086 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.760 3.001 -5.481 1.00 0.00 H new ATOM 0 HB3 ALA A 42 5.079 1.962 -6.071 1.00 0.00 H new ATOM 660 N GLU A 43 4.738 -0.832 -6.280 1.00 0.00 N ATOM 661 CA GLU A 43 5.116 -1.961 -7.098 1.00 0.00 C ATOM 662 C GLU A 43 4.536 -3.227 -6.541 1.00 0.00 C ATOM 663 O GLU A 43 4.216 -4.123 -7.275 1.00 0.00 O ATOM 664 CB GLU A 43 6.630 -2.017 -7.247 1.00 0.00 C ATOM 665 CG GLU A 43 7.205 -0.702 -7.754 1.00 0.00 C ATOM 666 CD GLU A 43 6.539 -0.233 -9.022 1.00 0.00 C ATOM 667 OE1 GLU A 43 5.531 0.485 -8.947 1.00 0.00 O ATOM 668 OE2 GLU A 43 7.025 -0.543 -10.112 1.00 0.00 O ATOM 0 H GLU A 43 5.485 -0.483 -5.680 1.00 0.00 H new ATOM 0 HA GLU A 43 4.703 -1.843 -8.100 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.080 -2.262 -6.285 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.897 -2.818 -7.936 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.092 0.061 -6.984 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.274 -0.821 -7.931 1.00 0.00 H new ATOM 675 N LEU A 44 4.386 -3.273 -5.235 1.00 0.00 N ATOM 676 CA LEU A 44 3.759 -4.404 -4.567 1.00 0.00 C ATOM 677 C LEU A 44 2.323 -4.540 -5.041 1.00 0.00 C ATOM 678 O LEU A 44 1.868 -5.619 -5.396 1.00 0.00 O ATOM 679 CB LEU A 44 3.804 -4.203 -3.042 1.00 0.00 C ATOM 680 CG LEU A 44 3.007 -5.196 -2.196 1.00 0.00 C ATOM 681 CD1 LEU A 44 3.416 -6.619 -2.505 1.00 0.00 C ATOM 682 CD2 LEU A 44 3.215 -4.905 -0.731 1.00 0.00 C ATOM 0 H LEU A 44 4.692 -2.533 -4.604 1.00 0.00 H new ATOM 0 HA LEU A 44 4.301 -5.317 -4.812 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.846 -4.244 -2.724 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.442 -3.199 -2.820 1.00 0.00 H new ATOM 0 HG LEU A 44 1.950 -5.084 -2.439 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.835 -7.306 -1.890 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.232 -6.830 -3.558 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.477 -6.748 -2.289 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.644 -5.616 -0.134 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.274 -4.995 -0.489 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.877 -3.892 -0.510 1.00 0.00 H new ATOM 694 N ALA A 45 1.649 -3.424 -5.091 1.00 0.00 N ATOM 695 CA ALA A 45 0.278 -3.377 -5.506 1.00 0.00 C ATOM 696 C ALA A 45 0.142 -3.431 -7.027 1.00 0.00 C ATOM 697 O ALA A 45 -0.968 -3.598 -7.568 1.00 0.00 O ATOM 698 CB ALA A 45 -0.390 -2.158 -4.935 1.00 0.00 C ATOM 0 H ALA A 45 2.041 -2.516 -4.842 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.226 -4.262 -5.118 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.431 -2.130 -5.255 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.346 -2.195 -3.847 1.00 0.00 H new ATOM 0 HB3 ALA A 45 0.122 -1.263 -5.288 1.00 0.00 H new ATOM 704 N ALA A 46 1.257 -3.244 -7.707 1.00 0.00 N ATOM 705 CA ALA A 46 1.290 -3.318 -9.148 1.00 0.00 C ATOM 706 C ALA A 46 1.546 -4.734 -9.595 1.00 0.00 C ATOM 707 O ALA A 46 1.140 -5.135 -10.696 1.00 0.00 O ATOM 708 CB ALA A 46 2.345 -2.393 -9.721 1.00 0.00 C ATOM 0 H ALA A 46 2.158 -3.038 -7.276 1.00 0.00 H new ATOM 0 HA ALA A 46 0.317 -2.997 -9.521 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.346 -2.471 -10.808 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.124 -1.366 -9.431 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.325 -2.676 -9.336 1.00 0.00 H new ATOM 714 N LEU A 47 2.206 -5.504 -8.751 1.00 0.00 N ATOM 715 CA LEU A 47 2.510 -6.861 -9.082 1.00 0.00 C ATOM 716 C LEU A 47 1.267 -7.742 -9.054 1.00 0.00 C ATOM 717 O LEU A 47 0.229 -7.380 -8.489 1.00 0.00 O ATOM 718 CB LEU A 47 3.617 -7.442 -8.207 1.00 0.00 C ATOM 719 CG LEU A 47 4.997 -6.801 -8.360 1.00 0.00 C ATOM 720 CD1 LEU A 47 5.997 -7.477 -7.448 1.00 0.00 C ATOM 721 CD2 LEU A 47 5.477 -6.855 -9.807 1.00 0.00 C ATOM 0 H LEU A 47 2.537 -5.203 -7.834 1.00 0.00 H new ATOM 0 HA LEU A 47 2.886 -6.849 -10.105 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.312 -7.356 -7.164 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.706 -8.506 -8.426 1.00 0.00 H new ATOM 0 HG LEU A 47 4.912 -5.753 -8.074 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.974 -7.009 -7.569 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.672 -7.376 -6.413 1.00 0.00 H new ATOM 0 HD13 LEU A 47 6.067 -8.534 -7.704 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.461 -6.391 -9.882 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.540 -7.894 -10.131 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.774 -6.319 -10.444 1.00 0.00 H new ATOM 733 N SER A 48 1.367 -8.868 -9.688 1.00 0.00 N ATOM 734 CA SER A 48 0.277 -9.786 -9.799 1.00 0.00 C ATOM 735 C SER A 48 0.398 -10.877 -8.733 1.00 0.00 C ATOM 736 O SER A 48 1.465 -11.036 -8.116 1.00 0.00 O ATOM 737 CB SER A 48 0.317 -10.365 -11.203 1.00 0.00 C ATOM 738 OG SER A 48 0.458 -9.309 -12.148 1.00 0.00 O ATOM 0 H SER A 48 2.221 -9.180 -10.150 1.00 0.00 H new ATOM 0 HA SER A 48 -0.679 -9.288 -9.634 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.148 -11.064 -11.296 1.00 0.00 H new ATOM 0 HB3 SER A 48 -0.596 -10.927 -11.403 1.00 0.00 H new ATOM 0 HG SER A 48 0.486 -9.682 -13.054 1.00 0.00 H new ATOM 744 N GLN A 49 -0.671 -11.640 -8.534 1.00 0.00 N ATOM 745 CA GLN A 49 -0.701 -12.703 -7.540 1.00 0.00 C ATOM 746 C GLN A 49 0.324 -13.786 -7.895 1.00 0.00 C ATOM 747 O GLN A 49 0.933 -14.403 -7.013 1.00 0.00 O ATOM 748 CB GLN A 49 -2.149 -13.246 -7.413 1.00 0.00 C ATOM 749 CG GLN A 49 -2.380 -14.350 -6.378 1.00 0.00 C ATOM 750 CD GLN A 49 -2.355 -15.760 -6.961 1.00 0.00 C ATOM 751 OE1 GLN A 49 -1.684 -16.039 -7.945 1.00 0.00 O ATOM 752 NE2 GLN A 49 -3.098 -16.649 -6.357 1.00 0.00 N ATOM 0 H GLN A 49 -1.540 -11.538 -9.058 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.414 -12.319 -6.561 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.806 -12.410 -7.172 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.458 -13.623 -8.388 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.616 -14.274 -5.604 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.342 -14.185 -5.894 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.646 -16.384 -5.538 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.130 -17.608 -6.704 1.00 0.00 H new ATOM 761 N ASP A 50 0.554 -13.958 -9.188 1.00 0.00 N ATOM 762 CA ASP A 50 1.540 -14.926 -9.690 1.00 0.00 C ATOM 763 C ASP A 50 2.931 -14.513 -9.229 1.00 0.00 C ATOM 764 O ASP A 50 3.700 -15.330 -8.728 1.00 0.00 O ATOM 765 CB ASP A 50 1.497 -14.988 -11.219 1.00 0.00 C ATOM 766 CG ASP A 50 2.373 -16.085 -11.809 1.00 0.00 C ATOM 767 OD1 ASP A 50 3.574 -15.856 -12.057 1.00 0.00 O ATOM 768 OD2 ASP A 50 1.857 -17.179 -12.087 1.00 0.00 O ATOM 0 H ASP A 50 0.071 -13.439 -9.921 1.00 0.00 H new ATOM 0 HA ASP A 50 1.301 -15.914 -9.296 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.467 -15.145 -11.539 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.813 -14.026 -11.622 1.00 0.00 H new ATOM 773 N GLU A 51 3.193 -13.203 -9.305 1.00 0.00 N ATOM 774 CA GLU A 51 4.468 -12.620 -8.906 1.00 0.00 C ATOM 775 C GLU A 51 4.673 -12.824 -7.427 1.00 0.00 C ATOM 776 O GLU A 51 5.752 -13.186 -6.982 1.00 0.00 O ATOM 777 CB GLU A 51 4.498 -11.118 -9.205 1.00 0.00 C ATOM 778 CG GLU A 51 4.328 -10.763 -10.668 1.00 0.00 C ATOM 779 CD GLU A 51 5.413 -11.354 -11.518 1.00 0.00 C ATOM 780 OE1 GLU A 51 6.541 -10.824 -11.542 1.00 0.00 O ATOM 781 OE2 GLU A 51 5.175 -12.367 -12.162 1.00 0.00 O ATOM 0 H GLU A 51 2.519 -12.518 -9.648 1.00 0.00 H new ATOM 0 HA GLU A 51 5.261 -13.111 -9.471 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.709 -10.631 -8.632 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.445 -10.710 -8.853 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.359 -11.119 -11.017 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.329 -9.679 -10.781 1.00 0.00 H new ATOM 788 N LEU A 52 3.616 -12.620 -6.671 1.00 0.00 N ATOM 789 CA LEU A 52 3.672 -12.797 -5.241 1.00 0.00 C ATOM 790 C LEU A 52 3.903 -14.265 -4.894 1.00 0.00 C ATOM 791 O LEU A 52 4.594 -14.574 -3.946 1.00 0.00 O ATOM 792 CB LEU A 52 2.406 -12.269 -4.565 1.00 0.00 C ATOM 793 CG LEU A 52 2.068 -10.794 -4.802 1.00 0.00 C ATOM 794 CD1 LEU A 52 0.811 -10.412 -4.048 1.00 0.00 C ATOM 795 CD2 LEU A 52 3.228 -9.888 -4.414 1.00 0.00 C ATOM 0 H LEU A 52 2.705 -12.330 -7.027 1.00 0.00 H new ATOM 0 HA LEU A 52 4.513 -12.216 -4.862 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.562 -12.871 -4.903 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.501 -12.429 -3.491 1.00 0.00 H new ATOM 0 HG LEU A 52 1.888 -10.658 -5.868 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.585 -9.361 -4.227 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.021 -11.026 -4.393 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.963 -10.574 -2.981 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.954 -8.849 -4.595 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.458 -10.024 -3.357 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.104 -10.142 -5.012 1.00 0.00 H new ATOM 807 N THR A 53 3.364 -15.170 -5.698 1.00 0.00 N ATOM 808 CA THR A 53 3.567 -16.593 -5.470 1.00 0.00 C ATOM 809 C THR A 53 5.041 -16.940 -5.727 1.00 0.00 C ATOM 810 O THR A 53 5.605 -17.817 -5.089 1.00 0.00 O ATOM 811 CB THR A 53 2.667 -17.465 -6.375 1.00 0.00 C ATOM 812 OG1 THR A 53 1.308 -16.997 -6.314 1.00 0.00 O ATOM 813 CG2 THR A 53 2.685 -18.916 -5.907 1.00 0.00 C ATOM 0 H THR A 53 2.787 -14.947 -6.509 1.00 0.00 H new ATOM 0 HA THR A 53 3.296 -16.806 -4.436 1.00 0.00 H new ATOM 0 HB THR A 53 3.049 -17.397 -7.394 1.00 0.00 H new ATOM 0 HG1 THR A 53 1.254 -16.098 -6.701 1.00 0.00 H new ATOM 0 HG21 THR A 53 2.046 -19.515 -6.555 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.705 -19.299 -5.948 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.317 -18.972 -4.883 1.00 0.00 H new ATOM 821 N SER A 54 5.653 -16.224 -6.642 1.00 0.00 N ATOM 822 CA SER A 54 7.017 -16.404 -6.972 1.00 0.00 C ATOM 823 C SER A 54 7.910 -15.899 -5.826 1.00 0.00 C ATOM 824 O SER A 54 8.832 -16.584 -5.385 1.00 0.00 O ATOM 825 CB SER A 54 7.281 -15.614 -8.230 1.00 0.00 C ATOM 826 OG SER A 54 6.379 -15.978 -9.266 1.00 0.00 O ATOM 0 H SER A 54 5.193 -15.489 -7.179 1.00 0.00 H new ATOM 0 HA SER A 54 7.242 -17.459 -7.128 1.00 0.00 H new ATOM 0 HB2 SER A 54 7.186 -14.549 -8.020 1.00 0.00 H new ATOM 0 HB3 SER A 54 8.306 -15.784 -8.561 1.00 0.00 H new ATOM 0 HG SER A 54 5.487 -15.626 -9.062 1.00 0.00 H new ATOM 832 N ILE A 55 7.591 -14.722 -5.338 1.00 0.00 N ATOM 833 CA ILE A 55 8.345 -14.070 -4.285 1.00 0.00 C ATOM 834 C ILE A 55 8.177 -14.774 -2.936 1.00 0.00 C ATOM 835 O ILE A 55 9.162 -15.184 -2.302 1.00 0.00 O ATOM 836 CB ILE A 55 7.889 -12.603 -4.136 1.00 0.00 C ATOM 837 CG1 ILE A 55 8.150 -11.838 -5.439 1.00 0.00 C ATOM 838 CG2 ILE A 55 8.604 -11.941 -2.960 1.00 0.00 C ATOM 839 CD1 ILE A 55 7.529 -10.456 -5.495 1.00 0.00 C ATOM 0 H ILE A 55 6.790 -14.181 -5.664 1.00 0.00 H new ATOM 0 HA ILE A 55 9.396 -14.117 -4.571 1.00 0.00 H new ATOM 0 HB ILE A 55 6.818 -12.582 -3.934 1.00 0.00 H new ATOM 0 HG12 ILE A 55 9.227 -11.744 -5.580 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.769 -12.427 -6.273 1.00 0.00 H new ATOM 0 HG21 ILE A 55 8.272 -10.907 -2.868 1.00 0.00 H new ATOM 0 HG22 ILE A 55 8.371 -12.480 -2.042 1.00 0.00 H new ATOM 0 HG23 ILE A 55 9.680 -11.963 -3.130 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.765 -9.989 -6.451 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.447 -10.539 -5.389 1.00 0.00 H new ATOM 0 HD13 ILE A 55 7.927 -9.845 -4.685 1.00 0.00 H new ATOM 851 N LEU A 56 6.936 -14.908 -2.513 1.00 0.00 N ATOM 852 CA LEU A 56 6.627 -15.430 -1.199 1.00 0.00 C ATOM 853 C LEU A 56 6.778 -16.940 -1.202 1.00 0.00 C ATOM 854 O LEU A 56 7.114 -17.547 -0.191 1.00 0.00 O ATOM 855 CB LEU A 56 5.188 -15.049 -0.782 1.00 0.00 C ATOM 856 CG LEU A 56 4.700 -13.610 -1.112 1.00 0.00 C ATOM 857 CD1 LEU A 56 3.339 -13.375 -0.531 1.00 0.00 C ATOM 858 CD2 LEU A 56 5.652 -12.534 -0.635 1.00 0.00 C ATOM 0 H LEU A 56 6.117 -14.659 -3.068 1.00 0.00 H new ATOM 0 HA LEU A 56 7.321 -14.994 -0.480 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.504 -15.753 -1.256 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.100 -15.195 0.295 1.00 0.00 H new ATOM 0 HG LEU A 56 4.659 -13.541 -2.199 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.011 -12.363 -0.770 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.635 -14.094 -0.951 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.380 -13.497 0.551 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.253 -11.554 -0.896 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.766 -12.603 0.447 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.623 -12.670 -1.112 1.00 0.00 H new ATOM 870 N GLY A 57 6.510 -17.532 -2.347 1.00 0.00 N ATOM 871 CA GLY A 57 6.647 -18.958 -2.516 1.00 0.00 C ATOM 872 C GLY A 57 5.423 -19.725 -2.092 1.00 0.00 C ATOM 873 O GLY A 57 5.415 -20.949 -2.109 1.00 0.00 O ATOM 0 H GLY A 57 6.193 -17.038 -3.181 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.859 -19.175 -3.563 1.00 0.00 H new ATOM 0 HA3 GLY A 57 7.504 -19.305 -1.939 1.00 0.00 H new ATOM 877 N ASN A 58 4.378 -19.021 -1.717 1.00 0.00 N ATOM 878 CA ASN A 58 3.158 -19.683 -1.305 1.00 0.00 C ATOM 879 C ASN A 58 2.024 -18.959 -1.927 1.00 0.00 C ATOM 880 O ASN A 58 1.953 -17.721 -1.830 1.00 0.00 O ATOM 881 CB ASN A 58 2.921 -19.640 0.220 1.00 0.00 C ATOM 882 CG ASN A 58 4.160 -19.543 1.052 1.00 0.00 C ATOM 883 OD1 ASN A 58 4.452 -18.346 1.449 1.00 0.00 O flip ATOM 884 ND2 ASN A 58 4.794 -20.537 1.387 1.00 0.00 N flip ATOM 0 H ASN A 58 4.346 -18.002 -1.688 1.00 0.00 H new ATOM 0 HA ASN A 58 3.239 -20.727 -1.609 1.00 0.00 H new ATOM 0 HB2 ASN A 58 2.281 -18.788 0.449 1.00 0.00 H new ATOM 0 HB3 ASN A 58 2.375 -20.537 0.513 1.00 0.00 H new ATOM 0 HD21 ASN A 58 4.519 -21.457 1.043 1.00 0.00 H new ATOM 0 HD22 ASN A 58 5.597 -20.444 2.009 1.00 0.00 H new ATOM 891 N ALA A 59 1.123 -19.695 -2.523 1.00 0.00 N ATOM 892 CA ALA A 59 -0.059 -19.124 -3.134 1.00 0.00 C ATOM 893 C ALA A 59 -0.966 -18.564 -2.068 1.00 0.00 C ATOM 894 O ALA A 59 -1.698 -17.634 -2.311 1.00 0.00 O ATOM 895 CB ALA A 59 -0.803 -20.161 -3.941 1.00 0.00 C ATOM 0 H ALA A 59 1.184 -20.710 -2.601 1.00 0.00 H new ATOM 0 HA ALA A 59 0.254 -18.324 -3.805 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -1.687 -19.708 -4.390 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.153 -20.545 -4.727 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -1.107 -20.980 -3.289 1.00 0.00 H new ATOM 901 N ALA A 60 -0.853 -19.111 -0.865 1.00 0.00 N ATOM 902 CA ALA A 60 -1.667 -18.689 0.260 1.00 0.00 C ATOM 903 C ALA A 60 -1.342 -17.264 0.616 1.00 0.00 C ATOM 904 O ALA A 60 -2.209 -16.408 0.677 1.00 0.00 O ATOM 905 CB ALA A 60 -1.381 -19.561 1.445 1.00 0.00 C ATOM 0 H ALA A 60 -0.195 -19.858 -0.645 1.00 0.00 H new ATOM 0 HA ALA A 60 -2.719 -18.770 -0.014 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -1.994 -19.242 2.288 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.614 -20.597 1.199 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.327 -19.479 1.711 1.00 0.00 H new ATOM 911 N ASN A 61 -0.066 -17.017 0.797 1.00 0.00 N ATOM 912 CA ASN A 61 0.435 -15.704 1.165 1.00 0.00 C ATOM 913 C ASN A 61 0.174 -14.721 0.044 1.00 0.00 C ATOM 914 O ASN A 61 -0.276 -13.607 0.277 1.00 0.00 O ATOM 915 CB ASN A 61 1.931 -15.773 1.450 1.00 0.00 C ATOM 916 CG ASN A 61 2.329 -16.439 2.763 1.00 0.00 C ATOM 917 OD1 ASN A 61 3.382 -16.180 3.272 1.00 0.00 O ATOM 918 ND2 ASN A 61 1.509 -17.268 3.311 1.00 0.00 N ATOM 0 H ASN A 61 0.663 -17.723 0.693 1.00 0.00 H new ATOM 0 HA ASN A 61 -0.082 -15.370 2.064 1.00 0.00 H new ATOM 0 HB2 ASN A 61 2.413 -16.309 0.632 1.00 0.00 H new ATOM 0 HB3 ASN A 61 2.329 -14.758 1.444 1.00 0.00 H new ATOM 0 HD21 ASN A 61 1.752 -17.717 4.194 1.00 0.00 H new ATOM 0 HD22 ASN A 61 0.617 -17.475 2.862 1.00 0.00 H new ATOM 925 N ALA A 62 0.409 -15.183 -1.184 1.00 0.00 N ATOM 926 CA ALA A 62 0.233 -14.379 -2.388 1.00 0.00 C ATOM 927 C ALA A 62 -1.211 -13.959 -2.548 1.00 0.00 C ATOM 928 O ALA A 62 -1.504 -12.803 -2.862 1.00 0.00 O ATOM 929 CB ALA A 62 0.673 -15.180 -3.602 1.00 0.00 C ATOM 0 H ALA A 62 0.729 -16.133 -1.370 1.00 0.00 H new ATOM 0 HA ALA A 62 0.844 -13.481 -2.299 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.541 -14.579 -4.502 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.723 -15.452 -3.498 1.00 0.00 H new ATOM 0 HB3 ALA A 62 0.070 -16.085 -3.679 1.00 0.00 H new ATOM 935 N LYS A 63 -2.112 -14.884 -2.287 1.00 0.00 N ATOM 936 CA LYS A 63 -3.505 -14.639 -2.443 1.00 0.00 C ATOM 937 C LYS A 63 -3.994 -13.713 -1.363 1.00 0.00 C ATOM 938 O LYS A 63 -4.727 -12.793 -1.657 1.00 0.00 O ATOM 939 CB LYS A 63 -4.289 -15.956 -2.471 1.00 0.00 C ATOM 940 CG LYS A 63 -5.794 -15.801 -2.538 1.00 0.00 C ATOM 941 CD LYS A 63 -6.467 -17.148 -2.583 1.00 0.00 C ATOM 942 CE LYS A 63 -7.976 -17.022 -2.552 1.00 0.00 C ATOM 943 NZ LYS A 63 -8.627 -18.338 -2.646 1.00 0.00 N ATOM 0 H LYS A 63 -1.884 -15.823 -1.961 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.674 -14.147 -3.401 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.960 -16.540 -3.331 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.037 -16.531 -1.580 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.146 -15.242 -1.671 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.066 -15.223 -3.421 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.164 -17.676 -3.487 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.135 -17.749 -1.737 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.282 -16.528 -1.630 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.307 -16.391 -3.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.660 -18.217 -2.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.353 -18.798 -3.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.329 -18.931 -1.845 1.00 0.00 H new ATOM 957 N GLN A 64 -3.529 -13.929 -0.125 1.00 0.00 N ATOM 958 CA GLN A 64 -3.923 -13.091 1.009 1.00 0.00 C ATOM 959 C GLN A 64 -3.503 -11.655 0.804 1.00 0.00 C ATOM 960 O GLN A 64 -4.294 -10.720 1.017 1.00 0.00 O ATOM 961 CB GLN A 64 -3.336 -13.596 2.328 1.00 0.00 C ATOM 962 CG GLN A 64 -3.857 -14.928 2.777 1.00 0.00 C ATOM 963 CD GLN A 64 -3.540 -15.187 4.235 1.00 0.00 C ATOM 964 OE1 GLN A 64 -4.319 -14.844 5.120 1.00 0.00 O ATOM 965 NE2 GLN A 64 -2.409 -15.774 4.500 1.00 0.00 N ATOM 0 H GLN A 64 -2.879 -14.678 0.114 1.00 0.00 H new ATOM 0 HA GLN A 64 -5.010 -13.147 1.065 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -2.253 -13.660 2.227 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -3.540 -12.860 3.106 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -4.936 -14.967 2.626 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -3.420 -15.716 2.163 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -1.785 -16.046 3.740 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -2.147 -15.962 5.468 1.00 0.00 H new ATOM 974 N LEU A 65 -2.280 -11.487 0.366 1.00 0.00 N ATOM 975 CA LEU A 65 -1.718 -10.184 0.164 1.00 0.00 C ATOM 976 C LEU A 65 -2.429 -9.460 -0.969 1.00 0.00 C ATOM 977 O LEU A 65 -2.935 -8.351 -0.778 1.00 0.00 O ATOM 978 CB LEU A 65 -0.211 -10.300 -0.077 1.00 0.00 C ATOM 979 CG LEU A 65 0.567 -8.997 -0.233 1.00 0.00 C ATOM 980 CD1 LEU A 65 0.293 -8.065 0.937 1.00 0.00 C ATOM 981 CD2 LEU A 65 2.051 -9.301 -0.327 1.00 0.00 C ATOM 0 H LEU A 65 -1.648 -12.255 0.140 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.865 -9.584 1.062 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.223 -10.857 0.754 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.056 -10.897 -0.976 1.00 0.00 H new ATOM 0 HG LEU A 65 0.242 -8.499 -1.147 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.857 -7.142 0.807 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.772 -7.837 0.979 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.597 -8.548 1.866 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.607 -8.370 -0.438 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.376 -9.811 0.580 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.237 -9.940 -1.190 1.00 0.00 H new ATOM 993 N TYR A 66 -2.532 -10.116 -2.125 1.00 0.00 N ATOM 994 CA TYR A 66 -3.185 -9.527 -3.290 1.00 0.00 C ATOM 995 C TYR A 66 -4.657 -9.224 -2.982 1.00 0.00 C ATOM 996 O TYR A 66 -5.219 -8.212 -3.460 1.00 0.00 O ATOM 997 CB TYR A 66 -3.063 -10.459 -4.507 1.00 0.00 C ATOM 998 CG TYR A 66 -3.573 -9.857 -5.793 1.00 0.00 C ATOM 999 CD1 TYR A 66 -2.742 -9.094 -6.601 1.00 0.00 C ATOM 1000 CD2 TYR A 66 -4.885 -10.037 -6.193 1.00 0.00 C ATOM 1001 CE1 TYR A 66 -3.212 -8.529 -7.765 1.00 0.00 C ATOM 1002 CE2 TYR A 66 -5.356 -9.480 -7.353 1.00 0.00 C ATOM 1003 CZ TYR A 66 -4.524 -8.731 -8.135 1.00 0.00 C ATOM 1004 OH TYR A 66 -5.013 -8.159 -9.283 1.00 0.00 O ATOM 0 H TYR A 66 -2.170 -11.057 -2.278 1.00 0.00 H new ATOM 0 HA TYR A 66 -2.685 -8.589 -3.530 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -2.017 -10.735 -4.637 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -3.613 -11.378 -4.305 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -1.712 -8.941 -6.313 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -5.550 -10.627 -5.580 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -2.558 -7.932 -8.383 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -6.384 -9.633 -7.648 1.00 0.00 H new ATOM 0 HH TYR A 66 -5.955 -8.404 -9.395 1.00 0.00 H new ATOM 1014 N ASP A 67 -5.258 -10.095 -2.178 1.00 0.00 N ATOM 1015 CA ASP A 67 -6.634 -9.949 -1.714 1.00 0.00 C ATOM 1016 C ASP A 67 -6.796 -8.663 -0.965 1.00 0.00 C ATOM 1017 O ASP A 67 -7.661 -7.875 -1.295 1.00 0.00 O ATOM 1018 CB ASP A 67 -7.033 -11.132 -0.820 1.00 0.00 C ATOM 1019 CG ASP A 67 -8.397 -11.003 -0.188 1.00 0.00 C ATOM 1020 OD1 ASP A 67 -9.412 -11.272 -0.865 1.00 0.00 O ATOM 1021 OD2 ASP A 67 -8.479 -10.688 1.017 1.00 0.00 O ATOM 0 H ASP A 67 -4.797 -10.934 -1.825 1.00 0.00 H new ATOM 0 HA ASP A 67 -7.289 -9.936 -2.585 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -7.006 -12.046 -1.414 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -6.289 -11.242 -0.031 1.00 0.00 H new ATOM 1026 N PHE A 68 -5.918 -8.424 -0.005 1.00 0.00 N ATOM 1027 CA PHE A 68 -5.994 -7.232 0.814 1.00 0.00 C ATOM 1028 C PHE A 68 -5.790 -5.997 -0.046 1.00 0.00 C ATOM 1029 O PHE A 68 -6.572 -5.071 0.025 1.00 0.00 O ATOM 1030 CB PHE A 68 -4.969 -7.290 1.948 1.00 0.00 C ATOM 1031 CG PHE A 68 -5.060 -6.144 2.925 1.00 0.00 C ATOM 1032 CD1 PHE A 68 -6.173 -6.004 3.739 1.00 0.00 C ATOM 1033 CD2 PHE A 68 -4.041 -5.215 3.027 1.00 0.00 C ATOM 1034 CE1 PHE A 68 -6.266 -4.956 4.636 1.00 0.00 C ATOM 1035 CE2 PHE A 68 -4.129 -4.165 3.922 1.00 0.00 C ATOM 1036 CZ PHE A 68 -5.242 -4.037 4.726 1.00 0.00 C ATOM 0 H PHE A 68 -5.142 -9.045 0.225 1.00 0.00 H new ATOM 0 HA PHE A 68 -6.985 -7.177 1.265 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.098 -8.226 2.491 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -3.968 -7.306 1.517 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -6.977 -6.722 3.672 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -3.167 -5.311 2.400 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -7.139 -4.857 5.265 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.327 -3.445 3.991 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.312 -3.217 5.426 1.00 0.00 H new ATOM 1046 N ILE A 69 -4.773 -6.062 -0.910 1.00 0.00 N ATOM 1047 CA ILE A 69 -4.400 -4.996 -1.868 1.00 0.00 C ATOM 1048 C ILE A 69 -5.596 -4.525 -2.725 1.00 0.00 C ATOM 1049 O ILE A 69 -5.662 -3.357 -3.160 1.00 0.00 O ATOM 1050 CB ILE A 69 -3.242 -5.499 -2.788 1.00 0.00 C ATOM 1051 CG1 ILE A 69 -1.958 -5.684 -1.982 1.00 0.00 C ATOM 1052 CG2 ILE A 69 -3.000 -4.584 -3.981 1.00 0.00 C ATOM 1053 CD1 ILE A 69 -0.842 -6.308 -2.777 1.00 0.00 C ATOM 0 H ILE A 69 -4.164 -6.878 -0.971 1.00 0.00 H new ATOM 0 HA ILE A 69 -4.067 -4.135 -1.288 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.553 -6.464 -3.189 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.630 -4.715 -1.607 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.169 -6.308 -1.113 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -2.185 -4.982 -4.585 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -3.905 -4.527 -4.585 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.736 -3.587 -3.627 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.041 -6.411 -2.146 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.153 -7.291 -3.130 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -0.605 -5.674 -3.631 1.00 0.00 H new ATOM 1065 N HIS A 70 -6.496 -5.439 -3.002 1.00 0.00 N ATOM 1066 CA HIS A 70 -7.684 -5.118 -3.787 1.00 0.00 C ATOM 1067 C HIS A 70 -9.006 -5.214 -3.012 1.00 0.00 C ATOM 1068 O HIS A 70 -10.067 -5.159 -3.615 1.00 0.00 O ATOM 1069 CB HIS A 70 -7.748 -5.934 -5.079 1.00 0.00 C ATOM 1070 CG HIS A 70 -6.820 -5.442 -6.144 1.00 0.00 C ATOM 1071 ND1 HIS A 70 -5.589 -5.997 -6.392 1.00 0.00 N ATOM 1072 CD2 HIS A 70 -6.965 -4.441 -7.043 1.00 0.00 C ATOM 1073 CE1 HIS A 70 -5.021 -5.355 -7.404 1.00 0.00 C ATOM 1074 NE2 HIS A 70 -5.835 -4.415 -7.812 1.00 0.00 N ATOM 0 H HIS A 70 -6.436 -6.411 -2.700 1.00 0.00 H new ATOM 0 HA HIS A 70 -7.569 -4.065 -4.042 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -7.511 -6.974 -4.854 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -8.769 -5.915 -5.461 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -7.817 -3.784 -7.136 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -4.049 -5.572 -7.822 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -5.655 -3.768 -8.580 1.00 0.00 H new ATOM 1083 N THR A 71 -8.965 -5.323 -1.709 1.00 0.00 N ATOM 1084 CA THR A 71 -10.204 -5.350 -0.934 1.00 0.00 C ATOM 1085 C THR A 71 -10.560 -3.936 -0.509 1.00 0.00 C ATOM 1086 O THR A 71 -10.029 -3.439 0.469 1.00 0.00 O ATOM 1087 CB THR A 71 -10.105 -6.286 0.310 1.00 0.00 C ATOM 1088 OG1 THR A 71 -9.963 -7.645 -0.116 1.00 0.00 O ATOM 1089 CG2 THR A 71 -11.330 -6.165 1.223 1.00 0.00 C ATOM 0 H THR A 71 -8.109 -5.394 -1.159 1.00 0.00 H new ATOM 0 HA THR A 71 -10.991 -5.756 -1.570 1.00 0.00 H new ATOM 0 HB THR A 71 -9.230 -5.976 0.882 1.00 0.00 H new ATOM 0 HG1 THR A 71 -9.012 -7.861 -0.208 1.00 0.00 H new ATOM 0 HG21 THR A 71 -11.216 -6.835 2.075 1.00 0.00 H new ATOM 0 HG22 THR A 71 -11.419 -5.138 1.578 1.00 0.00 H new ATOM 0 HG23 THR A 71 -12.227 -6.436 0.666 1.00 0.00 H new ATOM 1097 N SER A 72 -11.439 -3.288 -1.270 1.00 0.00 N ATOM 1098 CA SER A 72 -11.802 -1.908 -1.028 1.00 0.00 C ATOM 1099 C SER A 72 -12.265 -1.696 0.395 1.00 0.00 C ATOM 1100 O SER A 72 -12.915 -2.570 1.003 1.00 0.00 O ATOM 1101 CB SER A 72 -12.881 -1.423 -2.011 1.00 0.00 C ATOM 1102 OG SER A 72 -13.149 -0.034 -1.842 1.00 0.00 O ATOM 0 H SER A 72 -11.914 -3.710 -2.068 1.00 0.00 H new ATOM 0 HA SER A 72 -10.901 -1.316 -1.189 1.00 0.00 H new ATOM 0 HB2 SER A 72 -12.555 -1.611 -3.034 1.00 0.00 H new ATOM 0 HB3 SER A 72 -13.797 -1.993 -1.859 1.00 0.00 H new ATOM 0 HG SER A 72 -12.307 0.467 -1.867 1.00 0.00 H new ATOM 1108 N PHE A 73 -11.961 -0.525 0.910 1.00 0.00 N ATOM 1109 CA PHE A 73 -12.289 -0.153 2.261 1.00 0.00 C ATOM 1110 C PHE A 73 -13.817 -0.154 2.419 1.00 0.00 C ATOM 1111 O PHE A 73 -14.358 -0.381 3.506 1.00 0.00 O ATOM 1112 CB PHE A 73 -11.750 1.245 2.534 1.00 0.00 C ATOM 1113 CG PHE A 73 -10.509 1.613 1.732 1.00 0.00 C ATOM 1114 CD1 PHE A 73 -9.255 1.201 2.117 1.00 0.00 C ATOM 1115 CD2 PHE A 73 -10.627 2.366 0.567 1.00 0.00 C ATOM 1116 CE1 PHE A 73 -8.145 1.516 1.366 1.00 0.00 C ATOM 1117 CE2 PHE A 73 -9.521 2.694 -0.179 1.00 0.00 C ATOM 1118 CZ PHE A 73 -8.280 2.268 0.217 1.00 0.00 C ATOM 0 H PHE A 73 -11.472 0.204 0.391 1.00 0.00 H new ATOM 0 HA PHE A 73 -11.847 -0.859 2.964 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -12.534 1.971 2.319 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -11.519 1.330 3.596 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -9.139 0.622 3.021 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -11.603 2.697 0.245 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -7.169 1.174 1.676 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -9.629 3.286 -1.076 1.00 0.00 H new ATOM 0 HZ PHE A 73 -7.409 2.521 -0.369 1.00 0.00 H new ATOM 1516 N GLY B 115 -9.665 -2.553 9.044 1.00 0.00 N ATOM 1517 CA GLY B 115 -8.472 -3.086 8.389 1.00 0.00 C ATOM 1518 C GLY B 115 -7.941 -2.216 7.257 1.00 0.00 C ATOM 1519 O GLY B 115 -6.907 -1.569 7.410 1.00 0.00 O ATOM 0 HA2 GLY B 115 -7.687 -3.212 9.135 1.00 0.00 H new ATOM 0 HA3 GLY B 115 -8.699 -4.077 7.995 1.00 0.00 H new ATOM 1523 N PRO B 116 -8.622 -2.170 6.125 1.00 0.00 N ATOM 1524 CA PRO B 116 -8.193 -1.353 4.993 1.00 0.00 C ATOM 1525 C PRO B 116 -8.420 0.183 5.227 1.00 0.00 C ATOM 1526 O PRO B 116 -7.612 1.021 4.785 1.00 0.00 O ATOM 1527 CB PRO B 116 -9.063 -1.912 3.849 1.00 0.00 C ATOM 1528 CG PRO B 116 -10.303 -2.357 4.527 1.00 0.00 C ATOM 1529 CD PRO B 116 -9.851 -2.945 5.822 1.00 0.00 C ATOM 0 HA PRO B 116 -7.122 -1.413 4.798 1.00 0.00 H new ATOM 0 HB2 PRO B 116 -9.270 -1.151 3.097 1.00 0.00 H new ATOM 0 HB3 PRO B 116 -8.568 -2.738 3.339 1.00 0.00 H new ATOM 0 HG2 PRO B 116 -10.984 -1.522 4.690 1.00 0.00 H new ATOM 0 HG3 PRO B 116 -10.838 -3.092 3.926 1.00 0.00 H new ATOM 0 HD2 PRO B 116 -10.603 -2.831 6.602 1.00 0.00 H new ATOM 0 HD3 PRO B 116 -9.645 -4.011 5.732 1.00 0.00 H new ATOM 1537 N GLN B 117 -9.466 0.534 5.972 1.00 0.00 N ATOM 1538 CA GLN B 117 -9.826 1.946 6.201 1.00 0.00 C ATOM 1539 C GLN B 117 -8.754 2.656 7.054 1.00 0.00 C ATOM 1540 O GLN B 117 -8.229 3.722 6.692 1.00 0.00 O ATOM 1541 CB GLN B 117 -11.170 2.020 6.908 1.00 0.00 C ATOM 1542 CG GLN B 117 -11.708 3.426 7.041 1.00 0.00 C ATOM 1543 CD GLN B 117 -12.984 3.485 7.828 1.00 0.00 C ATOM 1544 OE1 GLN B 117 -13.210 2.690 8.731 1.00 0.00 O ATOM 1545 NE2 GLN B 117 -13.840 4.396 7.477 1.00 0.00 N ATOM 0 H GLN B 117 -10.084 -0.135 6.431 1.00 0.00 H new ATOM 0 HA GLN B 117 -9.887 2.448 5.235 1.00 0.00 H new ATOM 0 HB2 GLN B 117 -11.892 1.414 6.361 1.00 0.00 H new ATOM 0 HB3 GLN B 117 -11.073 1.582 7.901 1.00 0.00 H new ATOM 0 HG2 GLN B 117 -10.959 4.053 7.524 1.00 0.00 H new ATOM 0 HG3 GLN B 117 -11.879 3.841 6.048 1.00 0.00 H new ATOM 0 HE21 GLN B 117 -13.616 5.041 6.719 1.00 0.00 H new ATOM 0 HE22 GLN B 117 -14.736 4.466 7.959 1.00 0.00 H new ATOM 1554 N ASP B 118 -8.411 2.033 8.165 1.00 0.00 N ATOM 1555 CA ASP B 118 -7.399 2.547 9.089 1.00 0.00 C ATOM 1556 C ASP B 118 -6.045 2.467 8.435 1.00 0.00 C ATOM 1557 O ASP B 118 -5.151 3.240 8.744 1.00 0.00 O ATOM 1558 CB ASP B 118 -7.420 1.800 10.436 1.00 0.00 C ATOM 1559 CG ASP B 118 -6.414 2.314 11.452 1.00 0.00 C ATOM 1560 OD1 ASP B 118 -6.686 3.366 12.111 1.00 0.00 O ATOM 1561 OD2 ASP B 118 -5.375 1.659 11.665 1.00 0.00 O ATOM 0 H ASP B 118 -8.825 1.149 8.461 1.00 0.00 H new ATOM 0 HA ASP B 118 -7.626 3.589 9.313 1.00 0.00 H new ATOM 0 HB2 ASP B 118 -8.420 1.873 10.863 1.00 0.00 H new ATOM 0 HB3 ASP B 118 -7.228 0.743 10.255 1.00 0.00 H new ATOM 1566 N PHE B 119 -5.909 1.504 7.513 1.00 0.00 N ATOM 1567 CA PHE B 119 -4.677 1.296 6.760 1.00 0.00 C ATOM 1568 C PHE B 119 -4.332 2.576 6.006 1.00 0.00 C ATOM 1569 O PHE B 119 -3.175 2.922 5.871 1.00 0.00 O ATOM 1570 CB PHE B 119 -4.843 0.137 5.781 1.00 0.00 C ATOM 1571 CG PHE B 119 -3.569 -0.444 5.274 1.00 0.00 C ATOM 1572 CD1 PHE B 119 -2.818 -1.265 6.097 1.00 0.00 C ATOM 1573 CD2 PHE B 119 -3.122 -0.193 3.991 1.00 0.00 C ATOM 1574 CE1 PHE B 119 -1.643 -1.826 5.660 1.00 0.00 C ATOM 1575 CE2 PHE B 119 -1.944 -0.755 3.548 1.00 0.00 C ATOM 1576 CZ PHE B 119 -1.205 -1.575 4.386 1.00 0.00 C ATOM 0 H PHE B 119 -6.654 0.850 7.272 1.00 0.00 H new ATOM 0 HA PHE B 119 -3.869 1.049 7.449 1.00 0.00 H new ATOM 0 HB2 PHE B 119 -5.416 -0.652 6.268 1.00 0.00 H new ATOM 0 HB3 PHE B 119 -5.432 0.480 4.931 1.00 0.00 H new ATOM 0 HD1 PHE B 119 -3.162 -1.468 7.100 1.00 0.00 H new ATOM 0 HD2 PHE B 119 -3.696 0.444 3.335 1.00 0.00 H new ATOM 0 HE1 PHE B 119 -1.067 -2.461 6.317 1.00 0.00 H new ATOM 0 HE2 PHE B 119 -1.596 -0.556 2.545 1.00 0.00 H new ATOM 0 HZ PHE B 119 -0.284 -2.016 4.035 1.00 0.00 H new ATOM 1586 N LEU B 120 -5.358 3.256 5.519 1.00 0.00 N ATOM 1587 CA LEU B 120 -5.194 4.570 4.900 1.00 0.00 C ATOM 1588 C LEU B 120 -4.793 5.588 5.933 1.00 0.00 C ATOM 1589 O LEU B 120 -3.781 6.222 5.808 1.00 0.00 O ATOM 1590 CB LEU B 120 -6.494 5.042 4.264 1.00 0.00 C ATOM 1591 CG LEU B 120 -7.036 4.229 3.122 1.00 0.00 C ATOM 1592 CD1 LEU B 120 -8.388 4.783 2.683 1.00 0.00 C ATOM 1593 CD2 LEU B 120 -6.053 4.244 1.972 1.00 0.00 C ATOM 0 H LEU B 120 -6.321 2.920 5.539 1.00 0.00 H new ATOM 0 HA LEU B 120 -4.422 4.473 4.136 1.00 0.00 H new ATOM 0 HB2 LEU B 120 -7.256 5.081 5.042 1.00 0.00 H new ATOM 0 HB3 LEU B 120 -6.346 6.063 3.911 1.00 0.00 H new ATOM 0 HG LEU B 120 -7.176 3.198 3.447 1.00 0.00 H new ATOM 0 HD11 LEU B 120 -8.774 4.188 1.855 1.00 0.00 H new ATOM 0 HD12 LEU B 120 -9.087 4.739 3.518 1.00 0.00 H new ATOM 0 HD13 LEU B 120 -8.270 5.818 2.362 1.00 0.00 H new ATOM 0 HD21 LEU B 120 -6.450 3.653 1.146 1.00 0.00 H new ATOM 0 HD22 LEU B 120 -5.896 5.271 1.641 1.00 0.00 H new ATOM 0 HD23 LEU B 120 -5.104 3.819 2.299 1.00 0.00 H new ATOM 1605 N LEU B 121 -5.586 5.700 6.976 1.00 0.00 N ATOM 1606 CA LEU B 121 -5.389 6.712 8.038 1.00 0.00 C ATOM 1607 C LEU B 121 -4.033 6.574 8.765 1.00 0.00 C ATOM 1608 O LEU B 121 -3.571 7.516 9.423 1.00 0.00 O ATOM 1609 CB LEU B 121 -6.523 6.609 9.049 1.00 0.00 C ATOM 1610 CG LEU B 121 -7.923 6.858 8.500 1.00 0.00 C ATOM 1611 CD1 LEU B 121 -8.965 6.440 9.513 1.00 0.00 C ATOM 1612 CD2 LEU B 121 -8.096 8.329 8.161 1.00 0.00 C ATOM 0 H LEU B 121 -6.395 5.098 7.129 1.00 0.00 H new ATOM 0 HA LEU B 121 -5.389 7.688 7.554 1.00 0.00 H new ATOM 0 HB2 LEU B 121 -6.499 5.614 9.494 1.00 0.00 H new ATOM 0 HB3 LEU B 121 -6.335 7.322 9.852 1.00 0.00 H new ATOM 0 HG LEU B 121 -8.053 6.265 7.595 1.00 0.00 H new ATOM 0 HD11 LEU B 121 -9.960 6.623 9.108 1.00 0.00 H new ATOM 0 HD12 LEU B 121 -8.853 5.378 9.734 1.00 0.00 H new ATOM 0 HD13 LEU B 121 -8.834 7.017 10.429 1.00 0.00 H new ATOM 0 HD21 LEU B 121 -9.099 8.497 7.770 1.00 0.00 H new ATOM 0 HD22 LEU B 121 -7.952 8.929 9.060 1.00 0.00 H new ATOM 0 HD23 LEU B 121 -7.361 8.618 7.410 1.00 0.00 H new ATOM 1624 N LYS B 122 -3.405 5.422 8.660 1.00 0.00 N ATOM 1625 CA LYS B 122 -2.127 5.196 9.308 1.00 0.00 C ATOM 1626 C LYS B 122 -0.976 5.550 8.386 1.00 0.00 C ATOM 1627 O LYS B 122 0.197 5.351 8.732 1.00 0.00 O ATOM 1628 CB LYS B 122 -1.978 3.759 9.756 1.00 0.00 C ATOM 1629 CG LYS B 122 -1.846 2.773 8.631 1.00 0.00 C ATOM 1630 CD LYS B 122 -1.487 1.418 9.153 1.00 0.00 C ATOM 1631 CE LYS B 122 -2.609 0.836 10.022 1.00 0.00 C ATOM 1632 NZ LYS B 122 -2.276 -0.483 10.622 1.00 0.00 N ATOM 0 H LYS B 122 -3.758 4.625 8.131 1.00 0.00 H new ATOM 0 HA LYS B 122 -2.100 5.844 10.184 1.00 0.00 H new ATOM 0 HB2 LYS B 122 -1.101 3.680 10.398 1.00 0.00 H new ATOM 0 HB3 LYS B 122 -2.842 3.488 10.362 1.00 0.00 H new ATOM 0 HG2 LYS B 122 -2.783 2.718 8.078 1.00 0.00 H new ATOM 0 HG3 LYS B 122 -1.082 3.112 7.931 1.00 0.00 H new ATOM 0 HD2 LYS B 122 -1.286 0.747 8.318 1.00 0.00 H new ATOM 0 HD3 LYS B 122 -0.569 1.483 9.737 1.00 0.00 H new ATOM 0 HE2 LYS B 122 -2.841 1.541 10.821 1.00 0.00 H new ATOM 0 HE3 LYS B 122 -3.509 0.733 9.416 1.00 0.00 H new ATOM 0 HZ1 LYS B 122 -3.077 -0.816 11.195 1.00 0.00 H new ATOM 0 HZ2 LYS B 122 -2.083 -1.170 9.865 1.00 0.00 H new ATOM 0 HZ3 LYS B 122 -1.435 -0.387 11.226 1.00 0.00 H new ATOM 1646 N MET B 123 -1.291 6.068 7.226 1.00 0.00 N ATOM 1647 CA MET B 123 -0.277 6.426 6.290 1.00 0.00 C ATOM 1648 C MET B 123 0.130 7.891 6.573 1.00 0.00 C ATOM 1649 O MET B 123 -0.602 8.606 7.263 1.00 0.00 O ATOM 1650 CB MET B 123 -0.799 6.280 4.843 1.00 0.00 C ATOM 1651 CG MET B 123 -1.295 4.879 4.477 1.00 0.00 C ATOM 1652 SD MET B 123 -1.806 4.769 2.746 1.00 0.00 S ATOM 1653 CE MET B 123 -2.355 3.070 2.622 1.00 0.00 C ATOM 0 H MET B 123 -2.245 6.248 6.915 1.00 0.00 H new ATOM 0 HA MET B 123 0.584 5.767 6.396 1.00 0.00 H new ATOM 0 HB2 MET B 123 -1.613 6.989 4.692 1.00 0.00 H new ATOM 0 HB3 MET B 123 -0.002 6.559 4.154 1.00 0.00 H new ATOM 0 HG2 MET B 123 -0.504 4.154 4.668 1.00 0.00 H new ATOM 0 HG3 MET B 123 -2.134 4.612 5.120 1.00 0.00 H new ATOM 0 HE1 MET B 123 -3.063 2.975 1.798 1.00 0.00 H new ATOM 0 HE2 MET B 123 -1.497 2.423 2.440 1.00 0.00 H new ATOM 0 HE3 MET B 123 -2.840 2.776 3.553 1.00 0.00 H new ATOM 1663 N PRO B 124 1.295 8.356 6.136 1.00 0.00 N ATOM 1664 CA PRO B 124 1.668 9.751 6.294 1.00 0.00 C ATOM 1665 C PRO B 124 1.076 10.590 5.162 1.00 0.00 C ATOM 1666 O PRO B 124 1.226 10.246 4.004 1.00 0.00 O ATOM 1667 CB PRO B 124 3.203 9.745 6.196 1.00 0.00 C ATOM 1668 CG PRO B 124 3.595 8.333 5.876 1.00 0.00 C ATOM 1669 CD PRO B 124 2.344 7.594 5.486 1.00 0.00 C ATOM 0 HA PRO B 124 1.305 10.177 7.230 1.00 0.00 H new ATOM 0 HB2 PRO B 124 3.546 10.430 5.421 1.00 0.00 H new ATOM 0 HB3 PRO B 124 3.654 10.072 7.133 1.00 0.00 H new ATOM 0 HG2 PRO B 124 4.322 8.312 5.064 1.00 0.00 H new ATOM 0 HG3 PRO B 124 4.066 7.861 6.738 1.00 0.00 H new ATOM 0 HD2 PRO B 124 2.212 7.568 4.404 1.00 0.00 H new ATOM 0 HD3 PRO B 124 2.363 6.560 5.830 1.00 0.00 H new ATOM 1677 N GLY B 125 0.405 11.666 5.499 1.00 0.00 N ATOM 1678 CA GLY B 125 -0.170 12.506 4.491 1.00 0.00 C ATOM 1679 C GLY B 125 -1.638 12.244 4.322 1.00 0.00 C ATOM 1680 O GLY B 125 -2.196 12.445 3.250 1.00 0.00 O ATOM 0 H GLY B 125 0.248 11.974 6.459 1.00 0.00 H new ATOM 0 HA2 GLY B 125 -0.015 13.552 4.757 1.00 0.00 H new ATOM 0 HA3 GLY B 125 0.341 12.339 3.543 1.00 0.00 H new ATOM 1684 N VAL B 126 -2.275 11.793 5.365 1.00 0.00 N ATOM 1685 CA VAL B 126 -3.670 11.505 5.286 1.00 0.00 C ATOM 1686 C VAL B 126 -4.394 11.943 6.579 1.00 0.00 C ATOM 1687 O VAL B 126 -3.797 11.983 7.652 1.00 0.00 O ATOM 1688 CB VAL B 126 -3.881 9.998 4.996 1.00 0.00 C ATOM 1689 CG1 VAL B 126 -3.375 9.164 6.117 1.00 0.00 C ATOM 1690 CG2 VAL B 126 -5.315 9.663 4.629 1.00 0.00 C ATOM 0 H VAL B 126 -1.848 11.619 6.275 1.00 0.00 H new ATOM 0 HA VAL B 126 -4.105 12.073 4.464 1.00 0.00 H new ATOM 0 HB VAL B 126 -3.290 9.757 4.112 1.00 0.00 H new ATOM 0 HG11 VAL B 126 -3.535 8.110 5.888 1.00 0.00 H new ATOM 0 HG12 VAL B 126 -2.309 9.347 6.255 1.00 0.00 H new ATOM 0 HG13 VAL B 126 -3.909 9.422 7.032 1.00 0.00 H new ATOM 0 HG21 VAL B 126 -5.401 8.593 4.437 1.00 0.00 H new ATOM 0 HG22 VAL B 126 -5.975 9.938 5.452 1.00 0.00 H new ATOM 0 HG23 VAL B 126 -5.600 10.216 3.734 1.00 0.00 H new ATOM 1700 N ASN B 127 -5.658 12.297 6.441 1.00 0.00 N ATOM 1701 CA ASN B 127 -6.535 12.705 7.540 1.00 0.00 C ATOM 1702 C ASN B 127 -7.861 12.165 7.184 1.00 0.00 C ATOM 1703 O ASN B 127 -8.084 11.901 6.011 1.00 0.00 O ATOM 1704 CB ASN B 127 -6.685 14.233 7.668 1.00 0.00 C ATOM 1705 CG ASN B 127 -5.404 14.980 7.865 1.00 0.00 C ATOM 1706 OD1 ASN B 127 -4.874 15.486 6.804 1.00 0.00 O flip ATOM 1707 ND2 ASN B 127 -4.930 15.151 8.982 1.00 0.00 N flip ATOM 0 H ASN B 127 -6.125 12.311 5.534 1.00 0.00 H new ATOM 0 HA ASN B 127 -6.123 12.345 8.483 1.00 0.00 H new ATOM 0 HB2 ASN B 127 -7.174 14.611 6.770 1.00 0.00 H new ATOM 0 HB3 ASN B 127 -7.347 14.449 8.507 1.00 0.00 H new ATOM 0 HD21 ASN B 127 -5.380 14.733 9.796 1.00 0.00 H new ATOM 0 HD22 ASN B 127 -4.085 15.711 9.097 1.00 0.00 H new ATOM 1714 N ALA B 128 -8.755 12.043 8.132 1.00 0.00 N ATOM 1715 CA ALA B 128 -10.069 11.458 7.887 1.00 0.00 C ATOM 1716 C ALA B 128 -10.871 12.227 6.840 1.00 0.00 C ATOM 1717 O ALA B 128 -11.604 11.623 6.059 1.00 0.00 O ATOM 1718 CB ALA B 128 -10.856 11.304 9.174 1.00 0.00 C ATOM 0 H ALA B 128 -8.603 12.342 9.095 1.00 0.00 H new ATOM 0 HA ALA B 128 -9.891 10.464 7.477 1.00 0.00 H new ATOM 0 HB1 ALA B 128 -11.830 10.865 8.955 1.00 0.00 H new ATOM 0 HB2 ALA B 128 -10.311 10.654 9.858 1.00 0.00 H new ATOM 0 HB3 ALA B 128 -10.994 12.282 9.635 1.00 0.00 H new ATOM 1724 N LYS B 129 -10.663 13.535 6.762 1.00 0.00 N ATOM 1725 CA LYS B 129 -11.412 14.370 5.822 1.00 0.00 C ATOM 1726 C LYS B 129 -11.020 14.016 4.377 1.00 0.00 C ATOM 1727 O LYS B 129 -11.860 13.772 3.484 1.00 0.00 O ATOM 1728 CB LYS B 129 -11.182 15.880 6.123 1.00 0.00 C ATOM 1729 CG LYS B 129 -9.716 16.338 6.046 1.00 0.00 C ATOM 1730 CD LYS B 129 -9.536 17.848 6.247 1.00 0.00 C ATOM 1731 CE LYS B 129 -10.236 18.660 5.159 1.00 0.00 C ATOM 1732 NZ LYS B 129 -9.866 20.095 5.207 1.00 0.00 N ATOM 0 H LYS B 129 -9.987 14.042 7.333 1.00 0.00 H new ATOM 0 HA LYS B 129 -12.477 14.173 5.943 1.00 0.00 H new ATOM 0 HB2 LYS B 129 -11.769 16.470 5.419 1.00 0.00 H new ATOM 0 HB3 LYS B 129 -11.564 16.100 7.120 1.00 0.00 H new ATOM 0 HG2 LYS B 129 -9.138 15.807 6.802 1.00 0.00 H new ATOM 0 HG3 LYS B 129 -9.306 16.057 5.076 1.00 0.00 H new ATOM 0 HD2 LYS B 129 -9.931 18.133 7.222 1.00 0.00 H new ATOM 0 HD3 LYS B 129 -8.473 18.089 6.251 1.00 0.00 H new ATOM 0 HE2 LYS B 129 -9.979 18.253 4.181 1.00 0.00 H new ATOM 0 HE3 LYS B 129 -11.316 18.561 5.272 1.00 0.00 H new ATOM 0 HZ1 LYS B 129 -10.364 20.607 4.451 1.00 0.00 H new ATOM 0 HZ2 LYS B 129 -10.135 20.492 6.130 1.00 0.00 H new ATOM 0 HZ3 LYS B 129 -8.839 20.193 5.073 1.00 0.00 H new ATOM 1746 N ASN B 130 -9.760 13.881 4.176 1.00 0.00 N ATOM 1747 CA ASN B 130 -9.270 13.589 2.882 1.00 0.00 C ATOM 1748 C ASN B 130 -9.238 12.101 2.631 1.00 0.00 C ATOM 1749 O ASN B 130 -9.156 11.662 1.502 1.00 0.00 O ATOM 1750 CB ASN B 130 -7.950 14.320 2.589 1.00 0.00 C ATOM 1751 CG ASN B 130 -6.848 14.165 3.636 1.00 0.00 C ATOM 1752 OD1 ASN B 130 -5.926 13.264 3.432 1.00 0.00 O flip ATOM 1753 ND2 ASN B 130 -6.812 14.899 4.613 1.00 0.00 N flip ATOM 0 H ASN B 130 -9.045 13.969 4.898 1.00 0.00 H new ATOM 0 HA ASN B 130 -9.971 13.988 2.149 1.00 0.00 H new ATOM 0 HB2 ASN B 130 -7.567 13.965 1.632 1.00 0.00 H new ATOM 0 HB3 ASN B 130 -8.165 15.382 2.472 1.00 0.00 H new ATOM 0 HD21 ASN B 130 -7.543 15.597 4.754 1.00 0.00 H new ATOM 0 HD22 ASN B 130 -6.051 14.814 5.287 1.00 0.00 H new ATOM 1760 N CYS B 131 -9.349 11.336 3.695 1.00 0.00 N ATOM 1761 CA CYS B 131 -9.428 9.899 3.623 1.00 0.00 C ATOM 1762 C CYS B 131 -10.789 9.471 3.133 1.00 0.00 C ATOM 1763 O CYS B 131 -10.886 8.531 2.400 1.00 0.00 O ATOM 1764 CB CYS B 131 -9.133 9.253 4.961 1.00 0.00 C ATOM 1765 SG CYS B 131 -9.090 7.455 4.928 1.00 0.00 S ATOM 0 H CYS B 131 -9.387 11.703 4.646 1.00 0.00 H new ATOM 0 HA CYS B 131 -8.669 9.565 2.915 1.00 0.00 H new ATOM 0 HB2 CYS B 131 -8.173 9.620 5.324 1.00 0.00 H new ATOM 0 HB3 CYS B 131 -9.888 9.573 5.679 1.00 0.00 H new ATOM 0 HG CYS B 131 -9.462 6.991 6.084 1.00 0.00 H new ATOM 1771 N ARG B 132 -11.848 10.151 3.565 1.00 0.00 N ATOM 1772 CA ARG B 132 -13.183 9.835 3.067 1.00 0.00 C ATOM 1773 C ARG B 132 -13.308 10.235 1.611 1.00 0.00 C ATOM 1774 O ARG B 132 -13.899 9.503 0.798 1.00 0.00 O ATOM 1775 CB ARG B 132 -14.279 10.473 3.891 1.00 0.00 C ATOM 1776 CG ARG B 132 -14.088 11.934 4.106 1.00 0.00 C ATOM 1777 CD ARG B 132 -15.374 12.683 3.905 1.00 0.00 C ATOM 1778 NE ARG B 132 -15.246 14.088 4.288 1.00 0.00 N ATOM 1779 CZ ARG B 132 -15.145 15.120 3.441 1.00 0.00 C ATOM 1780 NH1 ARG B 132 -15.144 14.919 2.130 1.00 0.00 N ATOM 1781 NH2 ARG B 132 -15.041 16.352 3.914 1.00 0.00 N ATOM 0 H ARG B 132 -11.810 10.910 4.246 1.00 0.00 H new ATOM 0 HA ARG B 132 -13.312 8.756 3.157 1.00 0.00 H new ATOM 0 HB2 ARG B 132 -15.236 10.309 3.397 1.00 0.00 H new ATOM 0 HB3 ARG B 132 -14.331 9.975 4.859 1.00 0.00 H new ATOM 0 HG2 ARG B 132 -13.715 12.110 5.115 1.00 0.00 H new ATOM 0 HG3 ARG B 132 -13.333 12.311 3.416 1.00 0.00 H new ATOM 0 HD2 ARG B 132 -15.674 12.617 2.859 1.00 0.00 H new ATOM 0 HD3 ARG B 132 -16.163 12.216 4.494 1.00 0.00 H new ATOM 0 HE ARG B 132 -15.232 14.300 5.286 1.00 0.00 H new ATOM 0 HH11 ARG B 132 -15.221 13.972 1.759 1.00 0.00 H new ATOM 0 HH12 ARG B 132 -15.067 15.712 1.493 1.00 0.00 H new ATOM 0 HH21 ARG B 132 -15.038 16.513 4.921 1.00 0.00 H new ATOM 0 HH22 ARG B 132 -14.964 17.140 3.271 1.00 0.00 H new ATOM 1795 N SER B 133 -12.737 11.382 1.263 1.00 0.00 N ATOM 1796 CA SER B 133 -12.687 11.782 -0.126 1.00 0.00 C ATOM 1797 C SER B 133 -11.886 10.729 -0.940 1.00 0.00 C ATOM 1798 O SER B 133 -12.289 10.292 -2.043 1.00 0.00 O ATOM 1799 CB SER B 133 -12.053 13.163 -0.221 1.00 0.00 C ATOM 1800 OG SER B 133 -12.856 14.126 0.447 1.00 0.00 O ATOM 0 H SER B 133 -12.310 12.038 1.917 1.00 0.00 H new ATOM 0 HA SER B 133 -13.692 11.835 -0.545 1.00 0.00 H new ATOM 0 HB2 SER B 133 -11.056 13.143 0.220 1.00 0.00 H new ATOM 0 HB3 SER B 133 -11.933 13.444 -1.267 1.00 0.00 H new ATOM 0 HG SER B 133 -12.647 14.119 1.404 1.00 0.00 H new ATOM 1806 N LEU B 134 -10.804 10.263 -0.342 1.00 0.00 N ATOM 1807 CA LEU B 134 -9.931 9.267 -0.954 1.00 0.00 C ATOM 1808 C LEU B 134 -10.680 7.974 -1.114 1.00 0.00 C ATOM 1809 O LEU B 134 -10.579 7.320 -2.117 1.00 0.00 O ATOM 1810 CB LEU B 134 -8.750 8.987 -0.065 1.00 0.00 C ATOM 1811 CG LEU B 134 -7.610 8.227 -0.716 1.00 0.00 C ATOM 1812 CD1 LEU B 134 -6.751 9.134 -1.577 1.00 0.00 C ATOM 1813 CD2 LEU B 134 -6.805 7.486 0.307 1.00 0.00 C ATOM 0 H LEU B 134 -10.502 10.563 0.585 1.00 0.00 H new ATOM 0 HA LEU B 134 -9.599 9.655 -1.917 1.00 0.00 H new ATOM 0 HB2 LEU B 134 -8.365 9.936 0.308 1.00 0.00 H new ATOM 0 HB3 LEU B 134 -9.094 8.420 0.800 1.00 0.00 H new ATOM 0 HG LEU B 134 -8.043 7.484 -1.386 1.00 0.00 H new ATOM 0 HD11 LEU B 134 -5.945 8.553 -2.026 1.00 0.00 H new ATOM 0 HD12 LEU B 134 -7.363 9.575 -2.364 1.00 0.00 H new ATOM 0 HD13 LEU B 134 -6.327 9.926 -0.960 1.00 0.00 H new ATOM 0 HD21 LEU B 134 -5.994 6.950 -0.187 1.00 0.00 H new ATOM 0 HD22 LEU B 134 -6.388 8.193 1.024 1.00 0.00 H new ATOM 0 HD23 LEU B 134 -7.446 6.775 0.829 1.00 0.00 H new ATOM 1825 N MET B 135 -11.467 7.671 -0.116 1.00 0.00 N ATOM 1826 CA MET B 135 -12.246 6.468 -0.002 1.00 0.00 C ATOM 1827 C MET B 135 -13.212 6.387 -1.165 1.00 0.00 C ATOM 1828 O MET B 135 -13.577 5.321 -1.615 1.00 0.00 O ATOM 1829 CB MET B 135 -13.041 6.570 1.287 1.00 0.00 C ATOM 1830 CG MET B 135 -13.508 5.277 1.844 1.00 0.00 C ATOM 1831 SD MET B 135 -12.206 4.363 2.623 1.00 0.00 S ATOM 1832 CE MET B 135 -11.784 5.412 3.988 1.00 0.00 C ATOM 0 H MET B 135 -11.588 8.293 0.684 1.00 0.00 H new ATOM 0 HA MET B 135 -11.604 5.587 -0.004 1.00 0.00 H new ATOM 0 HB2 MET B 135 -12.426 7.069 2.036 1.00 0.00 H new ATOM 0 HB3 MET B 135 -13.908 7.206 1.111 1.00 0.00 H new ATOM 0 HG2 MET B 135 -14.301 5.463 2.569 1.00 0.00 H new ATOM 0 HG3 MET B 135 -13.941 4.676 1.044 1.00 0.00 H new ATOM 0 HE1 MET B 135 -11.002 4.939 4.582 1.00 0.00 H new ATOM 0 HE2 MET B 135 -11.425 6.371 3.613 1.00 0.00 H new ATOM 0 HE3 MET B 135 -12.665 5.572 4.610 1.00 0.00 H new ATOM 1842 N HIS B 136 -13.625 7.548 -1.629 1.00 0.00 N ATOM 1843 CA HIS B 136 -14.533 7.657 -2.753 1.00 0.00 C ATOM 1844 C HIS B 136 -13.804 7.703 -4.093 1.00 0.00 C ATOM 1845 O HIS B 136 -14.421 7.512 -5.134 1.00 0.00 O ATOM 1846 CB HIS B 136 -15.454 8.868 -2.601 1.00 0.00 C ATOM 1847 CG HIS B 136 -16.561 8.679 -1.603 1.00 0.00 C ATOM 1848 ND1 HIS B 136 -17.844 9.118 -1.819 1.00 0.00 N ATOM 1849 CD2 HIS B 136 -16.570 8.088 -0.381 1.00 0.00 C ATOM 1850 CE1 HIS B 136 -18.597 8.803 -0.787 1.00 0.00 C ATOM 1851 NE2 HIS B 136 -17.850 8.176 0.100 1.00 0.00 N ATOM 0 H HIS B 136 -13.340 8.445 -1.237 1.00 0.00 H new ATOM 0 HA HIS B 136 -15.141 6.752 -2.749 1.00 0.00 H new ATOM 0 HB2 HIS B 136 -14.856 9.730 -2.305 1.00 0.00 H new ATOM 0 HB3 HIS B 136 -15.891 9.102 -3.572 1.00 0.00 H new ATOM 0 HD2 HIS B 136 -15.727 7.634 0.118 1.00 0.00 H new ATOM 0 HE1 HIS B 136 -19.650 9.021 -0.684 1.00 0.00 H new ATOM 0 HE2 HIS B 136 -18.172 7.815 0.998 1.00 0.00 H new ATOM 1860 N HIS B 137 -12.511 7.986 -4.082 1.00 0.00 N ATOM 1861 CA HIS B 137 -11.744 8.009 -5.341 1.00 0.00 C ATOM 1862 C HIS B 137 -10.860 6.786 -5.526 1.00 0.00 C ATOM 1863 O HIS B 137 -10.326 6.560 -6.616 1.00 0.00 O ATOM 1864 CB HIS B 137 -10.889 9.269 -5.471 1.00 0.00 C ATOM 1865 CG HIS B 137 -11.653 10.513 -5.778 1.00 0.00 C ATOM 1866 ND1 HIS B 137 -12.428 11.292 -4.994 1.00 0.00 N flip ATOM 1867 CD2 HIS B 137 -11.646 11.113 -7.018 1.00 0.00 C flip ATOM 1868 CE1 HIS B 137 -12.865 12.326 -5.760 1.00 0.00 C flip ATOM 1869 NE2 HIS B 137 -12.380 12.197 -6.976 1.00 0.00 N flip ATOM 0 H HIS B 137 -11.971 8.200 -3.243 1.00 0.00 H new ATOM 0 HA HIS B 137 -12.499 8.004 -6.128 1.00 0.00 H new ATOM 0 HB2 HIS B 137 -10.340 9.416 -4.541 1.00 0.00 H new ATOM 0 HB3 HIS B 137 -10.149 9.110 -6.256 1.00 0.00 H new ATOM 0 HD1 HIS B 137 -12.645 11.134 -4.010 1.00 0.00 H new ATOM 0 HD2 HIS B 137 -11.119 10.748 -7.887 1.00 0.00 H new ATOM 0 HE1 HIS B 137 -13.508 13.126 -5.424 1.00 0.00 H new ATOM 1878 N VAL B 138 -10.701 6.012 -4.491 1.00 0.00 N ATOM 1879 CA VAL B 138 -9.803 4.873 -4.513 1.00 0.00 C ATOM 1880 C VAL B 138 -10.544 3.594 -4.098 1.00 0.00 C ATOM 1881 O VAL B 138 -11.473 3.637 -3.288 1.00 0.00 O ATOM 1882 CB VAL B 138 -8.593 5.111 -3.541 1.00 0.00 C ATOM 1883 CG1 VAL B 138 -7.629 3.961 -3.560 1.00 0.00 C ATOM 1884 CG2 VAL B 138 -7.846 6.386 -3.882 1.00 0.00 C ATOM 0 H VAL B 138 -11.186 6.145 -3.604 1.00 0.00 H new ATOM 0 HA VAL B 138 -9.430 4.756 -5.531 1.00 0.00 H new ATOM 0 HB VAL B 138 -9.018 5.201 -2.541 1.00 0.00 H new ATOM 0 HG11 VAL B 138 -6.806 4.164 -2.875 1.00 0.00 H new ATOM 0 HG12 VAL B 138 -8.142 3.051 -3.251 1.00 0.00 H new ATOM 0 HG13 VAL B 138 -7.237 3.831 -4.569 1.00 0.00 H new ATOM 0 HG21 VAL B 138 -7.016 6.518 -3.188 1.00 0.00 H new ATOM 0 HG22 VAL B 138 -7.462 6.321 -4.900 1.00 0.00 H new ATOM 0 HG23 VAL B 138 -8.523 7.237 -3.803 1.00 0.00 H new ATOM 1894 N LYS B 139 -10.145 2.474 -4.686 1.00 0.00 N ATOM 1895 CA LYS B 139 -10.669 1.178 -4.325 1.00 0.00 C ATOM 1896 C LYS B 139 -9.920 0.679 -3.095 1.00 0.00 C ATOM 1897 O LYS B 139 -10.502 0.580 -2.027 1.00 0.00 O ATOM 1898 CB LYS B 139 -10.515 0.208 -5.488 1.00 0.00 C ATOM 1899 CG LYS B 139 -10.945 -1.228 -5.227 1.00 0.00 C ATOM 1900 CD LYS B 139 -10.633 -2.079 -6.441 1.00 0.00 C ATOM 1901 CE LYS B 139 -10.706 -3.561 -6.146 1.00 0.00 C ATOM 1902 NZ LYS B 139 -12.072 -4.048 -5.830 1.00 0.00 N ATOM 0 H LYS B 139 -9.446 2.446 -5.428 1.00 0.00 H new ATOM 0 HA LYS B 139 -11.732 1.253 -4.095 1.00 0.00 H new ATOM 0 HB2 LYS B 139 -11.091 0.590 -6.331 1.00 0.00 H new ATOM 0 HB3 LYS B 139 -9.469 0.202 -5.793 1.00 0.00 H new ATOM 0 HG2 LYS B 139 -10.427 -1.620 -4.352 1.00 0.00 H new ATOM 0 HG3 LYS B 139 -12.012 -1.265 -5.009 1.00 0.00 H new ATOM 0 HD2 LYS B 139 -11.333 -1.836 -7.240 1.00 0.00 H new ATOM 0 HD3 LYS B 139 -9.636 -1.833 -6.806 1.00 0.00 H new ATOM 0 HE2 LYS B 139 -10.325 -4.111 -7.006 1.00 0.00 H new ATOM 0 HE3 LYS B 139 -10.048 -3.787 -5.307 1.00 0.00 H new ATOM 0 HZ1 LYS B 139 -12.041 -5.070 -5.640 1.00 0.00 H new ATOM 0 HZ2 LYS B 139 -12.432 -3.551 -4.991 1.00 0.00 H new ATOM 0 HZ3 LYS B 139 -12.701 -3.865 -6.638 1.00 0.00 H new ATOM 1916 N ASN B 140 -8.652 0.344 -3.247 1.00 0.00 N ATOM 1917 CA ASN B 140 -7.821 -0.020 -2.133 1.00 0.00 C ATOM 1918 C ASN B 140 -6.355 0.408 -2.449 1.00 0.00 C ATOM 1919 O ASN B 140 -6.143 1.275 -3.304 1.00 0.00 O ATOM 1920 CB ASN B 140 -7.980 -1.542 -1.810 1.00 0.00 C ATOM 1921 CG ASN B 140 -7.298 -1.957 -0.493 1.00 0.00 C ATOM 1922 OD1 ASN B 140 -6.177 -2.379 -0.485 1.00 0.00 O ATOM 1923 ND2 ASN B 140 -7.949 -1.784 0.606 1.00 0.00 N ATOM 0 H ASN B 140 -8.177 0.319 -4.149 1.00 0.00 H new ATOM 0 HA ASN B 140 -8.126 0.503 -1.227 1.00 0.00 H new ATOM 0 HB2 ASN B 140 -9.041 -1.786 -1.755 1.00 0.00 H new ATOM 0 HB3 ASN B 140 -7.560 -2.126 -2.629 1.00 0.00 H new ATOM 0 HD21 ASN B 140 -7.510 -2.007 1.499 1.00 0.00 H new ATOM 0 HD22 ASN B 140 -8.903 -1.424 0.582 1.00 0.00 H new ATOM 1930 N ILE B 141 -5.390 -0.182 -1.763 1.00 0.00 N ATOM 1931 CA ILE B 141 -3.956 0.097 -1.850 1.00 0.00 C ATOM 1932 C ILE B 141 -3.490 0.232 -3.290 1.00 0.00 C ATOM 1933 O ILE B 141 -2.760 1.161 -3.625 1.00 0.00 O ATOM 1934 CB ILE B 141 -3.204 -1.097 -1.239 1.00 0.00 C ATOM 1935 CG1 ILE B 141 -3.507 -1.241 0.248 1.00 0.00 C ATOM 1936 CG2 ILE B 141 -1.685 -1.009 -1.476 1.00 0.00 C ATOM 1937 CD1 ILE B 141 -2.953 -2.506 0.859 1.00 0.00 C ATOM 0 H ILE B 141 -5.595 -0.917 -1.086 1.00 0.00 H new ATOM 0 HA ILE B 141 -3.760 1.033 -1.327 1.00 0.00 H new ATOM 0 HB ILE B 141 -3.564 -1.989 -1.751 1.00 0.00 H new ATOM 0 HG12 ILE B 141 -3.097 -0.382 0.779 1.00 0.00 H new ATOM 0 HG13 ILE B 141 -4.587 -1.220 0.394 1.00 0.00 H new ATOM 0 HG21 ILE B 141 -1.196 -1.873 -1.027 1.00 0.00 H new ATOM 0 HG22 ILE B 141 -1.484 -0.994 -2.547 1.00 0.00 H new ATOM 0 HG23 ILE B 141 -1.298 -0.097 -1.022 1.00 0.00 H new ATOM 0 HD11 ILE B 141 -3.207 -2.540 1.918 1.00 0.00 H new ATOM 0 HD12 ILE B 141 -3.382 -3.372 0.355 1.00 0.00 H new ATOM 0 HD13 ILE B 141 -1.869 -2.520 0.746 1.00 0.00 H new ATOM 1949 N ALA B 142 -3.923 -0.703 -4.121 1.00 0.00 N ATOM 1950 CA ALA B 142 -3.519 -0.758 -5.518 1.00 0.00 C ATOM 1951 C ALA B 142 -3.809 0.522 -6.268 1.00 0.00 C ATOM 1952 O ALA B 142 -2.926 1.089 -6.885 1.00 0.00 O ATOM 1953 CB ALA B 142 -4.163 -1.930 -6.198 1.00 0.00 C ATOM 0 H ALA B 142 -4.565 -1.446 -3.846 1.00 0.00 H new ATOM 0 HA ALA B 142 -2.436 -0.883 -5.531 1.00 0.00 H new ATOM 0 HB1 ALA B 142 -3.853 -1.960 -7.243 1.00 0.00 H new ATOM 0 HB2 ALA B 142 -3.858 -2.851 -5.702 1.00 0.00 H new ATOM 0 HB3 ALA B 142 -5.247 -1.831 -6.144 1.00 0.00 H new ATOM 1959 N GLU B 143 -5.021 0.977 -6.175 1.00 0.00 N ATOM 1960 CA GLU B 143 -5.475 2.168 -6.863 1.00 0.00 C ATOM 1961 C GLU B 143 -4.859 3.384 -6.235 1.00 0.00 C ATOM 1962 O GLU B 143 -4.509 4.315 -6.924 1.00 0.00 O ATOM 1963 CB GLU B 143 -7.008 2.253 -6.833 1.00 0.00 C ATOM 1964 CG GLU B 143 -7.745 1.088 -7.515 1.00 0.00 C ATOM 1965 CD GLU B 143 -7.492 -0.273 -6.880 1.00 0.00 C ATOM 1966 OE1 GLU B 143 -7.468 -0.355 -5.632 1.00 0.00 O ATOM 1967 OE2 GLU B 143 -7.320 -1.265 -7.618 1.00 0.00 O ATOM 0 H GLU B 143 -5.743 0.529 -5.611 1.00 0.00 H new ATOM 0 HA GLU B 143 -5.162 2.119 -7.906 1.00 0.00 H new ATOM 0 HB2 GLU B 143 -7.332 2.307 -5.794 1.00 0.00 H new ATOM 0 HB3 GLU B 143 -7.313 3.184 -7.311 1.00 0.00 H new ATOM 0 HG2 GLU B 143 -8.816 1.291 -7.497 1.00 0.00 H new ATOM 0 HG3 GLU B 143 -7.446 1.048 -8.562 1.00 0.00 H new ATOM 1974 N LEU B 144 -4.700 3.348 -4.934 1.00 0.00 N ATOM 1975 CA LEU B 144 -4.056 4.434 -4.199 1.00 0.00 C ATOM 1976 C LEU B 144 -2.631 4.631 -4.686 1.00 0.00 C ATOM 1977 O LEU B 144 -2.205 5.741 -4.976 1.00 0.00 O ATOM 1978 CB LEU B 144 -4.047 4.136 -2.696 1.00 0.00 C ATOM 1979 CG LEU B 144 -3.332 5.153 -1.817 1.00 0.00 C ATOM 1980 CD1 LEU B 144 -3.894 6.546 -2.029 1.00 0.00 C ATOM 1981 CD2 LEU B 144 -3.465 4.759 -0.378 1.00 0.00 C ATOM 0 H LEU B 144 -5.009 2.573 -4.348 1.00 0.00 H new ATOM 0 HA LEU B 144 -4.625 5.347 -4.376 1.00 0.00 H new ATOM 0 HB2 LEU B 144 -5.079 4.054 -2.356 1.00 0.00 H new ATOM 0 HB3 LEU B 144 -3.582 3.162 -2.542 1.00 0.00 H new ATOM 0 HG LEU B 144 -2.278 5.167 -2.094 1.00 0.00 H new ATOM 0 HD11 LEU B 144 -3.366 7.253 -1.389 1.00 0.00 H new ATOM 0 HD12 LEU B 144 -3.766 6.835 -3.072 1.00 0.00 H new ATOM 0 HD13 LEU B 144 -4.955 6.552 -1.778 1.00 0.00 H new ATOM 0 HD21 LEU B 144 -2.952 5.489 0.248 1.00 0.00 H new ATOM 0 HD22 LEU B 144 -4.520 4.725 -0.106 1.00 0.00 H new ATOM 0 HD23 LEU B 144 -3.020 3.776 -0.227 1.00 0.00 H new ATOM 1993 N ALA B 145 -1.930 3.540 -4.813 1.00 0.00 N ATOM 1994 CA ALA B 145 -0.560 3.558 -5.226 1.00 0.00 C ATOM 1995 C ALA B 145 -0.429 3.724 -6.733 1.00 0.00 C ATOM 1996 O ALA B 145 0.670 3.979 -7.258 1.00 0.00 O ATOM 1997 CB ALA B 145 0.145 2.319 -4.744 1.00 0.00 C ATOM 0 H ALA B 145 -2.299 2.607 -4.631 1.00 0.00 H new ATOM 0 HA ALA B 145 -0.080 4.424 -4.771 1.00 0.00 H new ATOM 0 HB1 ALA B 145 1.186 2.345 -5.065 1.00 0.00 H new ATOM 0 HB2 ALA B 145 0.101 2.276 -3.656 1.00 0.00 H new ATOM 0 HB3 ALA B 145 -0.342 1.438 -5.162 1.00 0.00 H new ATOM 2003 N ALA B 146 -1.539 3.558 -7.421 1.00 0.00 N ATOM 2004 CA ALA B 146 -1.577 3.719 -8.851 1.00 0.00 C ATOM 2005 C ALA B 146 -1.798 5.166 -9.191 1.00 0.00 C ATOM 2006 O ALA B 146 -1.303 5.657 -10.219 1.00 0.00 O ATOM 2007 CB ALA B 146 -2.673 2.865 -9.473 1.00 0.00 C ATOM 0 H ALA B 146 -2.435 3.309 -7.002 1.00 0.00 H new ATOM 0 HA ALA B 146 -0.621 3.389 -9.259 1.00 0.00 H new ATOM 0 HB1 ALA B 146 -2.677 3.008 -10.554 1.00 0.00 H new ATOM 0 HB2 ALA B 146 -2.489 1.815 -9.247 1.00 0.00 H new ATOM 0 HB3 ALA B 146 -3.640 3.160 -9.065 1.00 0.00 H new ATOM 2013 N LEU B 147 -2.523 5.857 -8.331 1.00 0.00 N ATOM 2014 CA LEU B 147 -2.826 7.241 -8.550 1.00 0.00 C ATOM 2015 C LEU B 147 -1.577 8.103 -8.433 1.00 0.00 C ATOM 2016 O LEU B 147 -0.627 7.761 -7.711 1.00 0.00 O ATOM 2017 CB LEU B 147 -3.895 7.749 -7.589 1.00 0.00 C ATOM 2018 CG LEU B 147 -5.264 7.091 -7.689 1.00 0.00 C ATOM 2019 CD1 LEU B 147 -6.224 7.732 -6.717 1.00 0.00 C ATOM 2020 CD2 LEU B 147 -5.813 7.168 -9.102 1.00 0.00 C ATOM 0 H LEU B 147 -2.911 5.470 -7.471 1.00 0.00 H new ATOM 0 HA LEU B 147 -3.216 7.319 -9.565 1.00 0.00 H new ATOM 0 HB2 LEU B 147 -3.528 7.620 -6.571 1.00 0.00 H new ATOM 0 HB3 LEU B 147 -4.018 8.820 -7.750 1.00 0.00 H new ATOM 0 HG LEU B 147 -5.150 6.038 -7.432 1.00 0.00 H new ATOM 0 HD11 LEU B 147 -7.199 7.252 -6.799 1.00 0.00 H new ATOM 0 HD12 LEU B 147 -5.846 7.615 -5.701 1.00 0.00 H new ATOM 0 HD13 LEU B 147 -6.321 8.793 -6.948 1.00 0.00 H new ATOM 0 HD21 LEU B 147 -6.791 6.689 -9.139 1.00 0.00 H new ATOM 0 HD22 LEU B 147 -5.909 8.212 -9.399 1.00 0.00 H new ATOM 0 HD23 LEU B 147 -5.133 6.658 -9.785 1.00 0.00 H new ATOM 2032 N SER B 148 -1.550 9.187 -9.152 1.00 0.00 N ATOM 2033 CA SER B 148 -0.431 10.076 -9.112 1.00 0.00 C ATOM 2034 C SER B 148 -0.560 11.032 -7.918 1.00 0.00 C ATOM 2035 O SER B 148 -1.614 11.091 -7.254 1.00 0.00 O ATOM 2036 CB SER B 148 -0.370 10.854 -10.426 1.00 0.00 C ATOM 2037 OG SER B 148 -1.569 11.581 -10.632 1.00 0.00 O ATOM 0 H SER B 148 -2.300 9.477 -9.779 1.00 0.00 H new ATOM 0 HA SER B 148 0.491 9.507 -8.989 1.00 0.00 H new ATOM 0 HB2 SER B 148 0.478 11.538 -10.411 1.00 0.00 H new ATOM 0 HB3 SER B 148 -0.209 10.165 -11.255 1.00 0.00 H new ATOM 0 HG SER B 148 -1.579 11.944 -11.542 1.00 0.00 H new ATOM 2043 N GLN B 149 0.486 11.805 -7.658 1.00 0.00 N ATOM 2044 CA GLN B 149 0.468 12.781 -6.583 1.00 0.00 C ATOM 2045 C GLN B 149 -0.481 13.903 -6.980 1.00 0.00 C ATOM 2046 O GLN B 149 -1.060 14.596 -6.135 1.00 0.00 O ATOM 2047 CB GLN B 149 1.865 13.335 -6.376 1.00 0.00 C ATOM 2048 CG GLN B 149 2.014 14.252 -5.184 1.00 0.00 C ATOM 2049 CD GLN B 149 3.366 14.925 -5.151 1.00 0.00 C ATOM 2050 OE1 GLN B 149 4.367 14.369 -5.603 1.00 0.00 O ATOM 2051 NE2 GLN B 149 3.403 16.129 -4.659 1.00 0.00 N ATOM 0 H GLN B 149 1.361 11.772 -8.181 1.00 0.00 H new ATOM 0 HA GLN B 149 0.135 12.319 -5.654 1.00 0.00 H new ATOM 0 HB2 GLN B 149 2.558 12.501 -6.264 1.00 0.00 H new ATOM 0 HB3 GLN B 149 2.162 13.878 -7.273 1.00 0.00 H new ATOM 0 HG2 GLN B 149 1.232 15.011 -5.211 1.00 0.00 H new ATOM 0 HG3 GLN B 149 1.872 13.680 -4.267 1.00 0.00 H new ATOM 0 HE21 GLN B 149 2.552 16.557 -4.293 1.00 0.00 H new ATOM 0 HE22 GLN B 149 4.283 16.645 -4.639 1.00 0.00 H new ATOM 2060 N ASP B 150 -0.675 14.028 -8.280 1.00 0.00 N ATOM 2061 CA ASP B 150 -1.546 15.027 -8.853 1.00 0.00 C ATOM 2062 C ASP B 150 -2.971 14.704 -8.451 1.00 0.00 C ATOM 2063 O ASP B 150 -3.730 15.579 -8.017 1.00 0.00 O ATOM 2064 CB ASP B 150 -1.408 15.019 -10.373 1.00 0.00 C ATOM 2065 CG ASP B 150 -2.193 16.114 -11.043 1.00 0.00 C ATOM 2066 OD1 ASP B 150 -3.392 15.928 -11.316 1.00 0.00 O ATOM 2067 OD2 ASP B 150 -1.615 17.190 -11.324 1.00 0.00 O ATOM 0 H ASP B 150 -0.225 13.429 -8.972 1.00 0.00 H new ATOM 0 HA ASP B 150 -1.277 16.019 -8.489 1.00 0.00 H new ATOM 0 HB2 ASP B 150 -0.355 15.121 -10.637 1.00 0.00 H new ATOM 0 HB3 ASP B 150 -1.741 14.055 -10.757 1.00 0.00 H new ATOM 2072 N GLU B 151 -3.302 13.420 -8.542 1.00 0.00 N ATOM 2073 CA GLU B 151 -4.595 12.905 -8.133 1.00 0.00 C ATOM 2074 C GLU B 151 -4.794 13.130 -6.658 1.00 0.00 C ATOM 2075 O GLU B 151 -5.847 13.593 -6.231 1.00 0.00 O ATOM 2076 CB GLU B 151 -4.679 11.417 -8.423 1.00 0.00 C ATOM 2077 CG GLU B 151 -4.658 11.076 -9.885 1.00 0.00 C ATOM 2078 CD GLU B 151 -5.919 11.507 -10.589 1.00 0.00 C ATOM 2079 OE1 GLU B 151 -6.952 10.841 -10.424 1.00 0.00 O ATOM 2080 OE2 GLU B 151 -5.907 12.502 -11.341 1.00 0.00 O ATOM 0 H GLU B 151 -2.672 12.705 -8.905 1.00 0.00 H new ATOM 0 HA GLU B 151 -5.371 13.429 -8.692 1.00 0.00 H new ATOM 0 HB2 GLU B 151 -3.846 10.914 -7.931 1.00 0.00 H new ATOM 0 HB3 GLU B 151 -5.594 11.023 -7.982 1.00 0.00 H new ATOM 0 HG2 GLU B 151 -3.799 11.555 -10.356 1.00 0.00 H new ATOM 0 HG3 GLU B 151 -4.527 10.000 -10.003 1.00 0.00 H new ATOM 2087 N LEU B 152 -3.764 12.831 -5.884 1.00 0.00 N ATOM 2088 CA LEU B 152 -3.820 13.001 -4.445 1.00 0.00 C ATOM 2089 C LEU B 152 -4.058 14.464 -4.071 1.00 0.00 C ATOM 2090 O LEU B 152 -4.870 14.753 -3.223 1.00 0.00 O ATOM 2091 CB LEU B 152 -2.561 12.463 -3.758 1.00 0.00 C ATOM 2092 CG LEU B 152 -2.249 10.977 -3.957 1.00 0.00 C ATOM 2093 CD1 LEU B 152 -1.011 10.583 -3.177 1.00 0.00 C ATOM 2094 CD2 LEU B 152 -3.434 10.104 -3.564 1.00 0.00 C ATOM 0 H LEU B 152 -2.876 12.468 -6.232 1.00 0.00 H new ATOM 0 HA LEU B 152 -4.666 12.415 -4.086 1.00 0.00 H new ATOM 0 HB2 LEU B 152 -1.707 13.040 -4.113 1.00 0.00 H new ATOM 0 HB3 LEU B 152 -2.651 12.651 -2.688 1.00 0.00 H new ATOM 0 HG LEU B 152 -2.056 10.816 -5.018 1.00 0.00 H new ATOM 0 HD11 LEU B 152 -0.806 9.524 -3.331 1.00 0.00 H new ATOM 0 HD12 LEU B 152 -0.161 11.171 -3.522 1.00 0.00 H new ATOM 0 HD13 LEU B 152 -1.175 10.770 -2.116 1.00 0.00 H new ATOM 0 HD21 LEU B 152 -3.180 9.055 -3.717 1.00 0.00 H new ATOM 0 HD22 LEU B 152 -3.675 10.269 -2.514 1.00 0.00 H new ATOM 0 HD23 LEU B 152 -4.296 10.362 -4.179 1.00 0.00 H new ATOM 2106 N THR B 153 -3.388 15.380 -4.744 1.00 0.00 N ATOM 2107 CA THR B 153 -3.570 16.808 -4.477 1.00 0.00 C ATOM 2108 C THR B 153 -5.016 17.230 -4.803 1.00 0.00 C ATOM 2109 O THR B 153 -5.564 18.124 -4.179 1.00 0.00 O ATOM 2110 CB THR B 153 -2.566 17.682 -5.262 1.00 0.00 C ATOM 2111 OG1 THR B 153 -1.248 17.122 -5.128 1.00 0.00 O ATOM 2112 CG2 THR B 153 -2.532 19.099 -4.690 1.00 0.00 C ATOM 0 H THR B 153 -2.713 15.169 -5.479 1.00 0.00 H new ATOM 0 HA THR B 153 -3.377 16.968 -3.416 1.00 0.00 H new ATOM 0 HB THR B 153 -2.875 17.712 -6.307 1.00 0.00 H new ATOM 0 HG1 THR B 153 -1.193 16.288 -5.640 1.00 0.00 H new ATOM 0 HG21 THR B 153 -1.820 19.702 -5.254 1.00 0.00 H new ATOM 0 HG22 THR B 153 -3.524 19.545 -4.764 1.00 0.00 H new ATOM 0 HG23 THR B 153 -2.228 19.062 -3.644 1.00 0.00 H new ATOM 2120 N SER B 154 -5.612 16.570 -5.766 1.00 0.00 N ATOM 2121 CA SER B 154 -6.986 16.843 -6.149 1.00 0.00 C ATOM 2122 C SER B 154 -7.948 16.311 -5.071 1.00 0.00 C ATOM 2123 O SER B 154 -8.885 16.993 -4.657 1.00 0.00 O ATOM 2124 CB SER B 154 -7.284 16.192 -7.512 1.00 0.00 C ATOM 2125 OG SER B 154 -8.608 16.441 -7.951 1.00 0.00 O ATOM 0 H SER B 154 -5.165 15.830 -6.308 1.00 0.00 H new ATOM 0 HA SER B 154 -7.130 17.920 -6.237 1.00 0.00 H new ATOM 0 HB2 SER B 154 -6.581 16.570 -8.254 1.00 0.00 H new ATOM 0 HB3 SER B 154 -7.124 15.116 -7.441 1.00 0.00 H new ATOM 0 HG SER B 154 -8.751 16.010 -8.820 1.00 0.00 H new ATOM 2131 N ILE B 155 -7.689 15.097 -4.621 1.00 0.00 N ATOM 2132 CA ILE B 155 -8.521 14.430 -3.630 1.00 0.00 C ATOM 2133 C ILE B 155 -8.365 15.057 -2.251 1.00 0.00 C ATOM 2134 O ILE B 155 -9.346 15.385 -1.591 1.00 0.00 O ATOM 2135 CB ILE B 155 -8.135 12.935 -3.516 1.00 0.00 C ATOM 2136 CG1 ILE B 155 -8.318 12.220 -4.858 1.00 0.00 C ATOM 2137 CG2 ILE B 155 -8.961 12.250 -2.433 1.00 0.00 C ATOM 2138 CD1 ILE B 155 -7.757 10.812 -4.883 1.00 0.00 C ATOM 0 H ILE B 155 -6.892 14.541 -4.933 1.00 0.00 H new ATOM 0 HA ILE B 155 -9.553 14.537 -3.964 1.00 0.00 H new ATOM 0 HB ILE B 155 -7.082 12.878 -3.239 1.00 0.00 H new ATOM 0 HG12 ILE B 155 -9.381 12.182 -5.097 1.00 0.00 H new ATOM 0 HG13 ILE B 155 -7.837 12.807 -5.640 1.00 0.00 H new ATOM 0 HG21 ILE B 155 -8.676 11.200 -2.367 1.00 0.00 H new ATOM 0 HG22 ILE B 155 -8.779 12.736 -1.475 1.00 0.00 H new ATOM 0 HG23 ILE B 155 -10.020 12.324 -2.682 1.00 0.00 H new ATOM 0 HD11 ILE B 155 -7.924 10.371 -5.866 1.00 0.00 H new ATOM 0 HD12 ILE B 155 -6.687 10.843 -4.677 1.00 0.00 H new ATOM 0 HD13 ILE B 155 -8.255 10.208 -4.125 1.00 0.00 H new ATOM 2150 N LEU B 156 -7.135 15.208 -1.830 1.00 0.00 N ATOM 2151 CA LEU B 156 -6.844 15.661 -0.492 1.00 0.00 C ATOM 2152 C LEU B 156 -6.933 17.169 -0.422 1.00 0.00 C ATOM 2153 O LEU B 156 -7.317 17.734 0.596 1.00 0.00 O ATOM 2154 CB LEU B 156 -5.440 15.196 -0.057 1.00 0.00 C ATOM 2155 CG LEU B 156 -5.026 13.748 -0.426 1.00 0.00 C ATOM 2156 CD1 LEU B 156 -3.707 13.411 0.190 1.00 0.00 C ATOM 2157 CD2 LEU B 156 -6.062 12.718 -0.035 1.00 0.00 C ATOM 0 H LEU B 156 -6.310 15.022 -2.401 1.00 0.00 H new ATOM 0 HA LEU B 156 -7.580 15.229 0.186 1.00 0.00 H new ATOM 0 HB2 LEU B 156 -4.709 15.877 -0.492 1.00 0.00 H new ATOM 0 HB3 LEU B 156 -5.370 15.302 1.026 1.00 0.00 H new ATOM 0 HG LEU B 156 -4.943 13.715 -1.512 1.00 0.00 H new ATOM 0 HD11 LEU B 156 -3.430 12.391 -0.078 1.00 0.00 H new ATOM 0 HD12 LEU B 156 -2.947 14.102 -0.176 1.00 0.00 H new ATOM 0 HD13 LEU B 156 -3.780 13.494 1.274 1.00 0.00 H new ATOM 0 HD21 LEU B 156 -5.714 11.725 -0.320 1.00 0.00 H new ATOM 0 HD22 LEU B 156 -6.220 12.752 1.043 1.00 0.00 H new ATOM 0 HD23 LEU B 156 -7.000 12.934 -0.546 1.00 0.00 H new ATOM 2169 N GLY B 157 -6.558 17.806 -1.502 1.00 0.00 N ATOM 2170 CA GLY B 157 -6.619 19.238 -1.593 1.00 0.00 C ATOM 2171 C GLY B 157 -5.380 19.926 -1.091 1.00 0.00 C ATOM 2172 O GLY B 157 -5.269 21.142 -1.187 1.00 0.00 O ATOM 0 H GLY B 157 -6.203 17.346 -2.340 1.00 0.00 H new ATOM 0 HA2 GLY B 157 -6.786 19.521 -2.632 1.00 0.00 H new ATOM 0 HA3 GLY B 157 -7.478 19.594 -1.024 1.00 0.00 H new ATOM 2176 N ASN B 158 -4.437 19.164 -0.567 1.00 0.00 N ATOM 2177 CA ASN B 158 -3.200 19.745 -0.062 1.00 0.00 C ATOM 2178 C ASN B 158 -2.076 19.054 -0.735 1.00 0.00 C ATOM 2179 O ASN B 158 -2.079 17.816 -0.823 1.00 0.00 O ATOM 2180 CB ASN B 158 -2.977 19.515 1.450 1.00 0.00 C ATOM 2181 CG ASN B 158 -4.221 19.451 2.269 1.00 0.00 C ATOM 2182 OD1 ASN B 158 -4.747 20.459 2.706 1.00 0.00 O ATOM 2183 ND2 ASN B 158 -4.641 18.248 2.544 1.00 0.00 N ATOM 0 H ASN B 158 -4.500 18.150 -0.479 1.00 0.00 H new ATOM 0 HA ASN B 158 -3.257 20.817 -0.249 1.00 0.00 H new ATOM 0 HB2 ASN B 158 -2.425 18.585 1.583 1.00 0.00 H new ATOM 0 HB3 ASN B 158 -2.348 20.317 1.835 1.00 0.00 H new ATOM 0 HD21 ASN B 158 -5.449 18.117 3.153 1.00 0.00 H new ATOM 0 HD22 ASN B 158 -4.162 17.438 2.150 1.00 0.00 H new ATOM 2190 N ALA B 159 -1.099 19.804 -1.161 1.00 0.00 N ATOM 2191 CA ALA B 159 0.082 19.226 -1.763 1.00 0.00 C ATOM 2192 C ALA B 159 0.909 18.539 -0.687 1.00 0.00 C ATOM 2193 O ALA B 159 1.634 17.605 -0.960 1.00 0.00 O ATOM 2194 CB ALA B 159 0.910 20.292 -2.455 1.00 0.00 C ATOM 0 H ALA B 159 -1.092 20.822 -1.105 1.00 0.00 H new ATOM 0 HA ALA B 159 -0.224 18.496 -2.512 1.00 0.00 H new ATOM 0 HB1 ALA B 159 1.793 19.834 -2.901 1.00 0.00 H new ATOM 0 HB2 ALA B 159 0.314 20.766 -3.235 1.00 0.00 H new ATOM 0 HB3 ALA B 159 1.218 21.043 -1.727 1.00 0.00 H new ATOM 2200 N ALA B 160 0.731 18.987 0.550 1.00 0.00 N ATOM 2201 CA ALA B 160 1.459 18.465 1.695 1.00 0.00 C ATOM 2202 C ALA B 160 1.096 17.023 1.930 1.00 0.00 C ATOM 2203 O ALA B 160 1.957 16.158 1.997 1.00 0.00 O ATOM 2204 CB ALA B 160 1.138 19.276 2.932 1.00 0.00 C ATOM 0 H ALA B 160 0.072 19.729 0.786 1.00 0.00 H new ATOM 0 HA ALA B 160 2.527 18.535 1.487 1.00 0.00 H new ATOM 0 HB1 ALA B 160 1.689 18.875 3.783 1.00 0.00 H new ATOM 0 HB2 ALA B 160 1.425 20.315 2.770 1.00 0.00 H new ATOM 0 HB3 ALA B 160 0.068 19.222 3.135 1.00 0.00 H new ATOM 2210 N ASN B 161 -0.195 16.768 2.009 1.00 0.00 N ATOM 2211 CA ASN B 161 -0.691 15.420 2.238 1.00 0.00 C ATOM 2212 C ASN B 161 -0.367 14.542 1.057 1.00 0.00 C ATOM 2213 O ASN B 161 0.082 13.416 1.212 1.00 0.00 O ATOM 2214 CB ASN B 161 -2.200 15.408 2.447 1.00 0.00 C ATOM 2215 CG ASN B 161 -2.702 15.853 3.803 1.00 0.00 C ATOM 2216 OD1 ASN B 161 -1.976 16.668 4.491 1.00 0.00 O flip ATOM 2217 ND2 ASN B 161 -3.759 15.428 4.225 1.00 0.00 N flip ATOM 0 H ASN B 161 -0.923 17.476 1.918 1.00 0.00 H new ATOM 0 HA ASN B 161 -0.205 15.044 3.138 1.00 0.00 H new ATOM 0 HB2 ASN B 161 -2.653 16.048 1.690 1.00 0.00 H new ATOM 0 HB3 ASN B 161 -2.560 14.395 2.266 1.00 0.00 H new ATOM 0 HD21 ASN B 161 -4.312 14.785 3.659 1.00 0.00 H new ATOM 0 HD22 ASN B 161 -4.093 15.715 5.145 1.00 0.00 H new ATOM 2224 N ALA B 162 -0.544 15.108 -0.127 1.00 0.00 N ATOM 2225 CA ALA B 162 -0.355 14.397 -1.372 1.00 0.00 C ATOM 2226 C ALA B 162 1.078 13.974 -1.534 1.00 0.00 C ATOM 2227 O ALA B 162 1.353 12.861 -1.966 1.00 0.00 O ATOM 2228 CB ALA B 162 -0.771 15.278 -2.531 1.00 0.00 C ATOM 0 H ALA B 162 -0.825 16.081 -0.247 1.00 0.00 H new ATOM 0 HA ALA B 162 -0.975 13.501 -1.358 1.00 0.00 H new ATOM 0 HB1 ALA B 162 -0.627 14.739 -3.468 1.00 0.00 H new ATOM 0 HB2 ALA B 162 -1.822 15.547 -2.425 1.00 0.00 H new ATOM 0 HB3 ALA B 162 -0.164 16.183 -2.536 1.00 0.00 H new ATOM 2234 N LYS B 163 1.992 14.841 -1.149 1.00 0.00 N ATOM 2235 CA LYS B 163 3.368 14.560 -1.308 1.00 0.00 C ATOM 2236 C LYS B 163 3.813 13.562 -0.273 1.00 0.00 C ATOM 2237 O LYS B 163 4.508 12.621 -0.602 1.00 0.00 O ATOM 2238 CB LYS B 163 4.209 15.837 -1.272 1.00 0.00 C ATOM 2239 CG LYS B 163 5.694 15.574 -1.422 1.00 0.00 C ATOM 2240 CD LYS B 163 6.516 16.840 -1.446 1.00 0.00 C ATOM 2241 CE LYS B 163 7.985 16.511 -1.657 1.00 0.00 C ATOM 2242 NZ LYS B 163 8.215 15.798 -2.940 1.00 0.00 N ATOM 0 H LYS B 163 1.786 15.745 -0.724 1.00 0.00 H new ATOM 0 HA LYS B 163 3.521 14.117 -2.292 1.00 0.00 H new ATOM 0 HB2 LYS B 163 3.881 16.503 -2.070 1.00 0.00 H new ATOM 0 HB3 LYS B 163 4.031 16.356 -0.330 1.00 0.00 H new ATOM 0 HG2 LYS B 163 6.031 14.944 -0.599 1.00 0.00 H new ATOM 0 HG3 LYS B 163 5.868 15.017 -2.342 1.00 0.00 H new ATOM 0 HD2 LYS B 163 6.165 17.495 -2.244 1.00 0.00 H new ATOM 0 HD3 LYS B 163 6.389 17.382 -0.509 1.00 0.00 H new ATOM 0 HE2 LYS B 163 8.569 17.432 -1.644 1.00 0.00 H new ATOM 0 HE3 LYS B 163 8.341 15.896 -0.831 1.00 0.00 H new ATOM 0 HZ1 LYS B 163 9.218 15.874 -3.204 1.00 0.00 H new ATOM 0 HZ2 LYS B 163 7.961 14.796 -2.830 1.00 0.00 H new ATOM 0 HZ3 LYS B 163 7.628 16.225 -3.685 1.00 0.00 H new ATOM 2256 N GLN B 164 3.358 13.735 0.968 1.00 0.00 N ATOM 2257 CA GLN B 164 3.720 12.813 2.044 1.00 0.00 C ATOM 2258 C GLN B 164 3.277 11.396 1.741 1.00 0.00 C ATOM 2259 O GLN B 164 4.053 10.430 1.913 1.00 0.00 O ATOM 2260 CB GLN B 164 3.149 13.245 3.393 1.00 0.00 C ATOM 2261 CG GLN B 164 3.765 14.491 3.965 1.00 0.00 C ATOM 2262 CD GLN B 164 3.496 14.609 5.455 1.00 0.00 C ATOM 2263 OE1 GLN B 164 4.255 14.098 6.279 1.00 0.00 O ATOM 2264 NE2 GLN B 164 2.438 15.278 5.814 1.00 0.00 N ATOM 0 H GLN B 164 2.743 14.498 1.251 1.00 0.00 H new ATOM 0 HA GLN B 164 4.808 12.839 2.106 1.00 0.00 H new ATOM 0 HB2 GLN B 164 2.076 13.403 3.284 1.00 0.00 H new ATOM 0 HB3 GLN B 164 3.281 12.431 4.106 1.00 0.00 H new ATOM 0 HG2 GLN B 164 4.840 14.481 3.788 1.00 0.00 H new ATOM 0 HG3 GLN B 164 3.365 15.365 3.451 1.00 0.00 H new ATOM 0 HE21 GLN B 164 1.830 15.689 5.106 1.00 0.00 H new ATOM 0 HE22 GLN B 164 2.218 15.391 6.803 1.00 0.00 H new ATOM 2273 N LEU B 165 2.058 11.274 1.268 1.00 0.00 N ATOM 2274 CA LEU B 165 1.490 9.996 0.959 1.00 0.00 C ATOM 2275 C LEU B 165 2.154 9.382 -0.283 1.00 0.00 C ATOM 2276 O LEU B 165 2.612 8.242 -0.231 1.00 0.00 O ATOM 2277 CB LEU B 165 -0.058 10.097 0.850 1.00 0.00 C ATOM 2278 CG LEU B 165 -0.815 8.825 0.484 1.00 0.00 C ATOM 2279 CD1 LEU B 165 -0.514 7.722 1.480 1.00 0.00 C ATOM 2280 CD2 LEU B 165 -2.308 9.106 0.447 1.00 0.00 C ATOM 0 H LEU B 165 1.437 12.063 1.089 1.00 0.00 H new ATOM 0 HA LEU B 165 1.696 9.307 1.778 1.00 0.00 H new ATOM 0 HB2 LEU B 165 -0.441 10.455 1.805 1.00 0.00 H new ATOM 0 HB3 LEU B 165 -0.295 10.857 0.106 1.00 0.00 H new ATOM 0 HG LEU B 165 -0.490 8.495 -0.503 1.00 0.00 H new ATOM 0 HD11 LEU B 165 -1.063 6.822 1.203 1.00 0.00 H new ATOM 0 HD12 LEU B 165 0.555 7.511 1.477 1.00 0.00 H new ATOM 0 HD13 LEU B 165 -0.818 8.040 2.477 1.00 0.00 H new ATOM 0 HD21 LEU B 165 -2.844 8.194 0.185 1.00 0.00 H new ATOM 0 HD22 LEU B 165 -2.638 9.452 1.427 1.00 0.00 H new ATOM 0 HD23 LEU B 165 -2.515 9.875 -0.297 1.00 0.00 H new ATOM 2292 N TYR B 166 2.290 10.163 -1.366 1.00 0.00 N ATOM 2293 CA TYR B 166 2.914 9.668 -2.610 1.00 0.00 C ATOM 2294 C TYR B 166 4.362 9.232 -2.356 1.00 0.00 C ATOM 2295 O TYR B 166 4.843 8.214 -2.927 1.00 0.00 O ATOM 2296 CB TYR B 166 2.860 10.749 -3.700 1.00 0.00 C ATOM 2297 CG TYR B 166 3.378 10.336 -5.066 1.00 0.00 C ATOM 2298 CD1 TYR B 166 2.538 9.736 -5.994 1.00 0.00 C ATOM 2299 CD2 TYR B 166 4.698 10.571 -5.435 1.00 0.00 C ATOM 2300 CE1 TYR B 166 2.995 9.378 -7.246 1.00 0.00 C ATOM 2301 CE2 TYR B 166 5.161 10.215 -6.684 1.00 0.00 C ATOM 2302 CZ TYR B 166 4.306 9.620 -7.588 1.00 0.00 C ATOM 2303 OH TYR B 166 4.770 9.257 -8.839 1.00 0.00 O ATOM 0 H TYR B 166 1.980 11.134 -1.409 1.00 0.00 H new ATOM 0 HA TYR B 166 2.353 8.799 -2.954 1.00 0.00 H new ATOM 0 HB2 TYR B 166 1.826 11.078 -3.808 1.00 0.00 H new ATOM 0 HB3 TYR B 166 3.434 11.611 -3.360 1.00 0.00 H new ATOM 0 HD1 TYR B 166 1.508 9.546 -5.731 1.00 0.00 H new ATOM 0 HD2 TYR B 166 5.371 11.040 -4.732 1.00 0.00 H new ATOM 0 HE1 TYR B 166 2.327 8.910 -7.954 1.00 0.00 H new ATOM 0 HE2 TYR B 166 6.190 10.401 -6.954 1.00 0.00 H new ATOM 0 HH TYR B 166 5.716 9.499 -8.920 1.00 0.00 H new ATOM 2313 N ASP B 167 5.035 9.990 -1.513 1.00 0.00 N ATOM 2314 CA ASP B 167 6.402 9.715 -1.098 1.00 0.00 C ATOM 2315 C ASP B 167 6.481 8.384 -0.386 1.00 0.00 C ATOM 2316 O ASP B 167 7.294 7.533 -0.744 1.00 0.00 O ATOM 2317 CB ASP B 167 6.900 10.840 -0.187 1.00 0.00 C ATOM 2318 CG ASP B 167 8.258 10.599 0.406 1.00 0.00 C ATOM 2319 OD1 ASP B 167 9.271 10.726 -0.322 1.00 0.00 O ATOM 2320 OD2 ASP B 167 8.342 10.357 1.631 1.00 0.00 O ATOM 0 H ASP B 167 4.643 10.830 -1.088 1.00 0.00 H new ATOM 0 HA ASP B 167 7.038 9.666 -1.982 1.00 0.00 H new ATOM 0 HB2 ASP B 167 6.925 11.769 -0.757 1.00 0.00 H new ATOM 0 HB3 ASP B 167 6.183 10.981 0.622 1.00 0.00 H new ATOM 2325 N PHE B 168 5.586 8.172 0.565 1.00 0.00 N ATOM 2326 CA PHE B 168 5.557 6.939 1.341 1.00 0.00 C ATOM 2327 C PHE B 168 5.216 5.745 0.458 1.00 0.00 C ATOM 2328 O PHE B 168 5.674 4.656 0.697 1.00 0.00 O ATOM 2329 CB PHE B 168 4.557 7.045 2.483 1.00 0.00 C ATOM 2330 CG PHE B 168 4.573 5.853 3.413 1.00 0.00 C ATOM 2331 CD1 PHE B 168 5.658 5.630 4.248 1.00 0.00 C ATOM 2332 CD2 PHE B 168 3.506 4.968 3.459 1.00 0.00 C ATOM 2333 CE1 PHE B 168 5.684 4.547 5.107 1.00 0.00 C ATOM 2334 CE2 PHE B 168 3.527 3.884 4.317 1.00 0.00 C ATOM 2335 CZ PHE B 168 4.616 3.674 5.142 1.00 0.00 C ATOM 0 H PHE B 168 4.863 8.844 0.821 1.00 0.00 H new ATOM 0 HA PHE B 168 6.552 6.786 1.759 1.00 0.00 H new ATOM 0 HB2 PHE B 168 4.768 7.947 3.058 1.00 0.00 H new ATOM 0 HB3 PHE B 168 3.555 7.159 2.069 1.00 0.00 H new ATOM 0 HD1 PHE B 168 6.495 6.312 4.227 1.00 0.00 H new ATOM 0 HD2 PHE B 168 2.651 5.127 2.819 1.00 0.00 H new ATOM 0 HE1 PHE B 168 6.538 4.385 5.749 1.00 0.00 H new ATOM 0 HE2 PHE B 168 2.691 3.200 4.343 1.00 0.00 H new ATOM 0 HZ PHE B 168 4.631 2.828 5.813 1.00 0.00 H new ATOM 2345 N ILE B 169 4.393 5.981 -0.544 1.00 0.00 N ATOM 2346 CA ILE B 169 4.003 4.969 -1.526 1.00 0.00 C ATOM 2347 C ILE B 169 5.205 4.523 -2.389 1.00 0.00 C ATOM 2348 O ILE B 169 5.292 3.363 -2.840 1.00 0.00 O ATOM 2349 CB ILE B 169 2.873 5.532 -2.438 1.00 0.00 C ATOM 2350 CG1 ILE B 169 1.587 5.731 -1.638 1.00 0.00 C ATOM 2351 CG2 ILE B 169 2.621 4.653 -3.651 1.00 0.00 C ATOM 2352 CD1 ILE B 169 0.507 6.441 -2.412 1.00 0.00 C ATOM 0 H ILE B 169 3.966 6.893 -0.708 1.00 0.00 H new ATOM 0 HA ILE B 169 3.639 4.095 -0.986 1.00 0.00 H new ATOM 0 HB ILE B 169 3.210 6.500 -2.809 1.00 0.00 H new ATOM 0 HG12 ILE B 169 1.214 4.759 -1.316 1.00 0.00 H new ATOM 0 HG13 ILE B 169 1.813 6.301 -0.737 1.00 0.00 H new ATOM 0 HG21 ILE B 169 1.825 5.087 -4.256 1.00 0.00 H new ATOM 0 HG22 ILE B 169 3.532 4.584 -4.246 1.00 0.00 H new ATOM 0 HG23 ILE B 169 2.325 3.656 -3.323 1.00 0.00 H new ATOM 0 HD11 ILE B 169 -0.378 6.549 -1.785 1.00 0.00 H new ATOM 0 HD12 ILE B 169 0.862 7.427 -2.712 1.00 0.00 H new ATOM 0 HD13 ILE B 169 0.254 5.861 -3.300 1.00 0.00 H new ATOM 2364 N HIS B 170 6.115 5.438 -2.631 1.00 0.00 N ATOM 2365 CA HIS B 170 7.256 5.147 -3.506 1.00 0.00 C ATOM 2366 C HIS B 170 8.586 4.839 -2.807 1.00 0.00 C ATOM 2367 O HIS B 170 9.375 4.094 -3.356 1.00 0.00 O ATOM 2368 CB HIS B 170 7.405 6.193 -4.608 1.00 0.00 C ATOM 2369 CG HIS B 170 6.336 6.063 -5.642 1.00 0.00 C ATOM 2370 ND1 HIS B 170 5.099 6.660 -5.534 1.00 0.00 N ATOM 2371 CD2 HIS B 170 6.298 5.333 -6.777 1.00 0.00 C ATOM 2372 CE1 HIS B 170 4.349 6.288 -6.564 1.00 0.00 C ATOM 2373 NE2 HIS B 170 5.054 5.489 -7.326 1.00 0.00 N ATOM 0 H HIS B 170 6.100 6.382 -2.246 1.00 0.00 H new ATOM 0 HA HIS B 170 6.995 4.194 -3.967 1.00 0.00 H new ATOM 0 HB2 HIS B 170 7.368 7.190 -4.170 1.00 0.00 H new ATOM 0 HB3 HIS B 170 8.382 6.088 -5.080 1.00 0.00 H new ATOM 0 HD1 HIS B 170 4.807 7.286 -4.784 1.00 0.00 H new ATOM 0 HD2 HIS B 170 7.103 4.735 -7.179 1.00 0.00 H new ATOM 0 HE1 HIS B 170 3.329 6.593 -6.744 1.00 0.00 H new ATOM 2382 N THR B 171 8.799 5.370 -1.616 1.00 0.00 N ATOM 2383 CA THR B 171 10.043 5.173 -0.843 1.00 0.00 C ATOM 2384 C THR B 171 10.384 3.683 -0.617 1.00 0.00 C ATOM 2385 O THR B 171 9.803 3.042 0.246 1.00 0.00 O ATOM 2386 CB THR B 171 9.928 5.884 0.531 1.00 0.00 C ATOM 2387 OG1 THR B 171 9.758 7.288 0.329 1.00 0.00 O ATOM 2388 CG2 THR B 171 11.148 5.633 1.407 1.00 0.00 C ATOM 0 H THR B 171 8.115 5.959 -1.141 1.00 0.00 H new ATOM 0 HA THR B 171 10.850 5.606 -1.434 1.00 0.00 H new ATOM 0 HB THR B 171 9.062 5.472 1.049 1.00 0.00 H new ATOM 0 HG1 THR B 171 8.826 7.473 0.088 1.00 0.00 H new ATOM 0 HG21 THR B 171 11.025 6.149 2.359 1.00 0.00 H new ATOM 0 HG22 THR B 171 11.254 4.563 1.586 1.00 0.00 H new ATOM 0 HG23 THR B 171 12.040 6.007 0.904 1.00 0.00 H new ATOM 2396 N SER B 172 11.307 3.150 -1.423 1.00 0.00 N ATOM 2397 CA SER B 172 11.741 1.767 -1.293 1.00 0.00 C ATOM 2398 C SER B 172 12.218 1.495 0.135 1.00 0.00 C ATOM 2399 O SER B 172 12.828 2.361 0.787 1.00 0.00 O ATOM 2400 CB SER B 172 12.846 1.423 -2.321 1.00 0.00 C ATOM 2401 OG SER B 172 13.155 0.037 -2.300 1.00 0.00 O ATOM 0 H SER B 172 11.767 3.664 -2.175 1.00 0.00 H new ATOM 0 HA SER B 172 10.888 1.122 -1.504 1.00 0.00 H new ATOM 0 HB2 SER B 172 12.518 1.710 -3.320 1.00 0.00 H new ATOM 0 HB3 SER B 172 13.743 2.001 -2.101 1.00 0.00 H new ATOM 0 HG SER B 172 12.325 -0.483 -2.296 1.00 0.00 H new ATOM 2407 N PHE B 173 11.951 0.294 0.603 1.00 0.00 N ATOM 2408 CA PHE B 173 12.242 -0.135 1.979 1.00 0.00 C ATOM 2409 C PHE B 173 13.730 0.024 2.318 1.00 0.00 C ATOM 2410 O PHE B 173 14.112 0.192 3.479 1.00 0.00 O ATOM 2411 CB PHE B 173 11.829 -1.600 2.161 1.00 0.00 C ATOM 2412 CG PHE B 173 10.504 -1.936 1.519 1.00 0.00 C ATOM 2413 CD1 PHE B 173 9.308 -1.671 2.154 1.00 0.00 C ATOM 2414 CD2 PHE B 173 10.469 -2.492 0.245 1.00 0.00 C ATOM 2415 CE1 PHE B 173 8.112 -1.945 1.529 1.00 0.00 C ATOM 2416 CE2 PHE B 173 9.278 -2.777 -0.374 1.00 0.00 C ATOM 2417 CZ PHE B 173 8.098 -2.502 0.264 1.00 0.00 C ATOM 0 H PHE B 173 11.517 -0.435 0.037 1.00 0.00 H new ATOM 0 HA PHE B 173 11.672 0.501 2.656 1.00 0.00 H new ATOM 0 HB2 PHE B 173 12.602 -2.242 1.739 1.00 0.00 H new ATOM 0 HB3 PHE B 173 11.775 -1.824 3.226 1.00 0.00 H new ATOM 0 HD1 PHE B 173 9.310 -1.246 3.147 1.00 0.00 H new ATOM 0 HD2 PHE B 173 11.396 -2.703 -0.267 1.00 0.00 H new ATOM 0 HE1 PHE B 173 7.181 -1.724 2.029 1.00 0.00 H new ATOM 0 HE2 PHE B 173 9.271 -3.216 -1.361 1.00 0.00 H new ATOM 0 HZ PHE B 173 7.158 -2.720 -0.220 1.00 0.00 H new