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= -0.396 USER MOD Set 1.2: B 135 MET CE :methyl 180:sc= -1.57 (180deg=-1.23) USER MOD Set 2.1: B 127 ASN :FLIP amide:sc=-0.00516 F(o=-1.6,f=-0.6) USER MOD Set 2.2: B 130 ASN : amide:sc= 0.0806 K(o=-0.6,f=-6.8!) USER MOD Set 2.3: B 161 ASN : amide:sc= -0.675 K(o=-0.6,f=-6.8) USER MOD Set 3.1: A 70 HIS : no HD1:sc=-0.00339 X(o=-9.3,f=-9.5) USER MOD Set 3.2: B 140 ASN :FLIP amide:sc= -9.33! C(o=-10!,f=-9.3!) USER MOD Set 4.1: A 31 CYS SG : rot 180:sc= -0.697 USER MOD Set 4.2: A 35 MET CE :methyl -131:sc= -1.27 (180deg=-2.08!) USER MOD Set 5.1: A 27 ASN :FLIP amide:sc= 0 F(o=-2.7,f=-1.8) USER MOD Set 5.2: A 30 ASN : amide:sc= -0.666 K(o=-1.8,f=-11!) USER MOD Set 5.3: A 61 ASN : amide:sc= -1.15 K(o=-1.8,f=-9.7!) USER MOD Single : A 17 GLN : amide:sc= -0.0435 K(o=-0.043,f=-1.2!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl -164:sc= -0.593 (180deg=-1.01) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot -156:sc= 0.531 USER MOD Single : A 36 HIS : no HD1:sc= -0.0881 X(o=-0.088,f=0) USER MOD Single : A 37 HIS :FLIP no HE2:sc= 0.229 F(o=-0.79,f=0.23) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -2.31! C(o=-2.3!,f=-5.6!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.0652 X(o=-0.065,f=-0.19) USER MOD Single : A 53 THR OG1 : rot 73:sc= 0.995 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN :FLIP amide:sc= -0.0374 F(o=-0.75,f=-0.037) USER MOD Single : A 63 LYS NZ :NH3+ 164:sc= -0.047 (180deg=-0.274) USER MOD Single : A 64 GLN : amide:sc= -0.121 X(o=-0.12,f=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 95:sc= 1.25 USER MOD Single : A 72 SER OG : rot 54:sc= 0.937 USER MOD Single : B 117 GLN : amide:sc=-0.00123 K(o=-0.0012,f=-0.86) USER MOD Single : B 122 LYS NZ :NH3+ -120:sc= -1.3 (180deg=-1.54!) USER MOD Single : B 123 MET CE :methyl -127:sc= -1.23 (180deg=-1.37) USER MOD Single : B 129 LYS NZ :NH3+ -135:sc= -0.593 (180deg=-2.65!) USER MOD Single : B 133 SER OG : rot 91:sc= 1.42 USER MOD Single : B 136 HIS : no HD1:sc= -0.345 X(o=-0.34,f=0.055) USER MOD Single : B 137 HIS :FLIP no HE2:sc= 0.167 F(o=-0.68,f=0.17) USER MOD Single : B 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 148 SER OG : rot 180:sc= 0 USER MOD Single : B 149 GLN : amide:sc=-0.00184 X(o=-0.0018,f=0.0084) USER MOD Single : B 153 THR OG1 : rot 71:sc= 0.981 USER MOD Single : B 154 SER OG : rot 180:sc= 0 USER MOD Single : B 158 ASN :FLIP amide:sc= 0 F(o=-0.8,f=0) USER MOD Single : B 163 LYS NZ :NH3+ 160:sc= -0.117 (180deg=-0.505) USER MOD Single : B 164 GLN : amide:sc= 0.0127 X(o=0.013,f=0) USER MOD Single : B 166 TYR OH : rot 180:sc= 0 USER MOD Single : B 170 HIS : no HE2:sc= 0.906 K(o=0.91,f=-3.5!) USER MOD Single : B 171 THR OG1 : rot 76:sc= 0.598 USER MOD Single : B 172 SER OG : rot 44:sc= 0.911 USER MOD ----------------------------------------------------------------- ATOM 217 N GLY A 15 9.429 2.236 8.670 1.00 0.00 N ATOM 218 CA GLY A 15 8.338 2.811 7.922 1.00 0.00 C ATOM 219 C GLY A 15 7.808 1.847 6.869 1.00 0.00 C ATOM 220 O GLY A 15 6.795 1.186 7.093 1.00 0.00 O ATOM 0 HA2 GLY A 15 7.533 3.084 8.604 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.672 3.730 7.439 1.00 0.00 H new ATOM 224 N PRO A 16 8.493 1.714 5.733 1.00 0.00 N ATOM 225 CA PRO A 16 8.060 0.821 4.653 1.00 0.00 C ATOM 226 C PRO A 16 8.259 -0.701 4.995 1.00 0.00 C ATOM 227 O PRO A 16 7.408 -1.544 4.658 1.00 0.00 O ATOM 228 CB PRO A 16 8.946 1.283 3.475 1.00 0.00 C ATOM 229 CG PRO A 16 10.185 1.766 4.132 1.00 0.00 C ATOM 230 CD PRO A 16 9.726 2.460 5.372 1.00 0.00 C ATOM 0 HA PRO A 16 6.991 0.885 4.448 1.00 0.00 H new ATOM 0 HB2 PRO A 16 9.152 0.465 2.785 1.00 0.00 H new ATOM 0 HB3 PRO A 16 8.465 2.073 2.898 1.00 0.00 H new ATOM 0 HG2 PRO A 16 10.854 0.938 4.369 1.00 0.00 H new ATOM 0 HG3 PRO A 16 10.736 2.445 3.482 1.00 0.00 H new ATOM 0 HD2 PRO A 16 10.474 2.411 6.163 1.00 0.00 H new ATOM 0 HD3 PRO A 16 9.522 3.515 5.192 1.00 0.00 H new ATOM 238 N GLN A 17 9.344 -1.032 5.715 1.00 0.00 N ATOM 239 CA GLN A 17 9.658 -2.434 6.076 1.00 0.00 C ATOM 240 C GLN A 17 8.549 -3.044 6.944 1.00 0.00 C ATOM 241 O GLN A 17 7.962 -4.082 6.605 1.00 0.00 O ATOM 242 CB GLN A 17 10.992 -2.506 6.831 1.00 0.00 C ATOM 243 CG GLN A 17 11.360 -3.902 7.318 1.00 0.00 C ATOM 244 CD GLN A 17 12.507 -3.886 8.302 1.00 0.00 C ATOM 245 OE1 GLN A 17 12.697 -2.912 9.044 1.00 0.00 O ATOM 246 NE2 GLN A 17 13.256 -4.949 8.352 1.00 0.00 N ATOM 0 H GLN A 17 10.021 -0.352 6.061 1.00 0.00 H new ATOM 0 HA GLN A 17 9.732 -3.005 5.150 1.00 0.00 H new ATOM 0 HB2 GLN A 17 11.785 -2.140 6.179 1.00 0.00 H new ATOM 0 HB3 GLN A 17 10.948 -1.834 7.688 1.00 0.00 H new ATOM 0 HG2 GLN A 17 10.490 -4.361 7.786 1.00 0.00 H new ATOM 0 HG3 GLN A 17 11.627 -4.523 6.463 1.00 0.00 H new ATOM 0 HE21 GLN A 17 13.071 -5.733 7.726 1.00 0.00 H new ATOM 0 HE22 GLN A 17 14.028 -4.998 9.017 1.00 0.00 H new ATOM 255 N ASP A 18 8.251 -2.376 8.041 1.00 0.00 N ATOM 256 CA ASP A 18 7.211 -2.828 8.976 1.00 0.00 C ATOM 257 C ASP A 18 5.852 -2.747 8.325 1.00 0.00 C ATOM 258 O ASP A 18 4.945 -3.514 8.659 1.00 0.00 O ATOM 259 CB ASP A 18 7.250 -2.056 10.301 1.00 0.00 C ATOM 260 CG ASP A 18 6.160 -2.457 11.285 1.00 0.00 C ATOM 261 OD1 ASP A 18 6.242 -3.544 11.870 1.00 0.00 O ATOM 262 OD2 ASP A 18 5.211 -1.665 11.506 1.00 0.00 O ATOM 0 H ASP A 18 8.713 -1.510 8.318 1.00 0.00 H new ATOM 0 HA ASP A 18 7.413 -3.871 9.222 1.00 0.00 H new ATOM 0 HB2 ASP A 18 8.222 -2.209 10.770 1.00 0.00 H new ATOM 0 HB3 ASP A 18 7.161 -0.990 10.091 1.00 0.00 H new ATOM 267 N PHE A 19 5.722 -1.821 7.361 1.00 0.00 N ATOM 268 CA PHE A 19 4.469 -1.611 6.653 1.00 0.00 C ATOM 269 C PHE A 19 4.070 -2.900 5.959 1.00 0.00 C ATOM 270 O PHE A 19 2.901 -3.239 5.887 1.00 0.00 O ATOM 271 CB PHE A 19 4.623 -0.485 5.640 1.00 0.00 C ATOM 272 CG PHE A 19 3.339 0.126 5.203 1.00 0.00 C ATOM 273 CD1 PHE A 19 2.529 0.749 6.134 1.00 0.00 C ATOM 274 CD2 PHE A 19 2.957 0.127 3.875 1.00 0.00 C ATOM 275 CE1 PHE A 19 1.359 1.359 5.762 1.00 0.00 C ATOM 276 CE2 PHE A 19 1.778 0.735 3.497 1.00 0.00 C ATOM 277 CZ PHE A 19 0.981 1.355 4.445 1.00 0.00 C ATOM 0 H PHE A 19 6.479 -1.208 7.060 1.00 0.00 H new ATOM 0 HA PHE A 19 3.690 -1.328 7.361 1.00 0.00 H new ATOM 0 HB2 PHE A 19 5.253 0.292 6.072 1.00 0.00 H new ATOM 0 HB3 PHE A 19 5.146 -0.869 4.764 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.823 0.755 7.173 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.582 -0.348 3.133 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.738 1.840 6.503 1.00 0.00 H new ATOM 0 HE2 PHE A 19 1.476 0.728 2.460 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.061 1.836 4.146 1.00 0.00 H new ATOM 287 N LEU A 20 5.066 -3.618 5.477 1.00 0.00 N ATOM 288 CA LEU A 20 4.860 -4.921 4.889 1.00 0.00 C ATOM 289 C LEU A 20 4.519 -5.934 5.945 1.00 0.00 C ATOM 290 O LEU A 20 3.519 -6.608 5.853 1.00 0.00 O ATOM 291 CB LEU A 20 6.104 -5.399 4.180 1.00 0.00 C ATOM 292 CG LEU A 20 6.555 -4.595 3.001 1.00 0.00 C ATOM 293 CD1 LEU A 20 7.825 -5.192 2.443 1.00 0.00 C ATOM 294 CD2 LEU A 20 5.468 -4.556 1.946 1.00 0.00 C ATOM 0 H LEU A 20 6.039 -3.312 5.483 1.00 0.00 H new ATOM 0 HA LEU A 20 4.039 -4.823 4.179 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.918 -5.428 4.904 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.935 -6.424 3.849 1.00 0.00 H new ATOM 0 HG LEU A 20 6.756 -3.571 3.315 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.155 -4.608 1.584 1.00 0.00 H new ATOM 0 HD12 LEU A 20 8.600 -5.180 3.209 1.00 0.00 H new ATOM 0 HD13 LEU A 20 7.638 -6.220 2.132 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.809 -3.968 1.094 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.241 -5.571 1.619 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.571 -4.101 2.365 1.00 0.00 H new ATOM 306 N LEU A 21 5.349 -6.005 6.973 1.00 0.00 N ATOM 307 CA LEU A 21 5.243 -7.040 8.017 1.00 0.00 C ATOM 308 C LEU A 21 3.893 -7.059 8.735 1.00 0.00 C ATOM 309 O LEU A 21 3.516 -8.074 9.340 1.00 0.00 O ATOM 310 CB LEU A 21 6.365 -6.905 9.035 1.00 0.00 C ATOM 311 CG LEU A 21 7.790 -7.026 8.499 1.00 0.00 C ATOM 312 CD1 LEU A 21 8.789 -6.763 9.604 1.00 0.00 C ATOM 313 CD2 LEU A 21 8.021 -8.408 7.917 1.00 0.00 C ATOM 0 H LEU A 21 6.119 -5.352 7.117 1.00 0.00 H new ATOM 0 HA LEU A 21 5.332 -7.991 7.491 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.266 -5.937 9.525 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.223 -7.666 9.802 1.00 0.00 H new ATOM 0 HG LEU A 21 7.926 -6.284 7.712 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.801 -6.852 9.209 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.641 -5.757 9.997 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.647 -7.490 10.404 1.00 0.00 H new ATOM 0 HD21 LEU A 21 9.041 -8.478 7.539 1.00 0.00 H new ATOM 0 HD22 LEU A 21 7.869 -9.159 8.692 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.319 -8.581 7.101 1.00 0.00 H new ATOM 325 N LYS A 22 3.170 -5.970 8.660 1.00 0.00 N ATOM 326 CA LYS A 22 1.891 -5.872 9.309 1.00 0.00 C ATOM 327 C LYS A 22 0.761 -6.295 8.382 1.00 0.00 C ATOM 328 O LYS A 22 -0.391 -6.443 8.815 1.00 0.00 O ATOM 329 CB LYS A 22 1.662 -4.466 9.796 1.00 0.00 C ATOM 330 CG LYS A 22 1.540 -3.450 8.694 1.00 0.00 C ATOM 331 CD LYS A 22 1.252 -2.100 9.259 1.00 0.00 C ATOM 332 CE LYS A 22 2.487 -1.530 9.966 1.00 0.00 C ATOM 333 NZ LYS A 22 2.216 -0.273 10.677 1.00 0.00 N ATOM 0 H LYS A 22 3.451 -5.132 8.150 1.00 0.00 H new ATOM 0 HA LYS A 22 1.897 -6.551 10.161 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.754 -4.444 10.399 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.486 -4.180 10.450 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.463 -3.419 8.115 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.744 -3.742 8.009 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.941 -1.426 8.461 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.422 -2.165 9.963 1.00 0.00 H new ATOM 0 HE2 LYS A 22 2.865 -2.267 10.675 1.00 0.00 H new ATOM 0 HE3 LYS A 22 3.274 -1.362 9.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 3.088 0.062 11.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.882 0.443 10.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.486 -0.434 11.400 1.00 0.00 H new ATOM 347 N MET A 23 1.081 -6.507 7.125 1.00 0.00 N ATOM 348 CA MET A 23 0.078 -6.865 6.149 1.00 0.00 C ATOM 349 C MET A 23 -0.214 -8.363 6.251 1.00 0.00 C ATOM 350 O MET A 23 0.706 -9.163 6.537 1.00 0.00 O ATOM 351 CB MET A 23 0.541 -6.567 4.714 1.00 0.00 C ATOM 352 CG MET A 23 0.960 -5.140 4.429 1.00 0.00 C ATOM 353 SD MET A 23 1.321 -4.908 2.677 1.00 0.00 S ATOM 354 CE MET A 23 1.806 -3.194 2.632 1.00 0.00 C ATOM 0 H MET A 23 2.029 -6.437 6.755 1.00 0.00 H new ATOM 0 HA MET A 23 -0.811 -6.271 6.360 1.00 0.00 H new ATOM 0 HB2 MET A 23 1.380 -7.223 4.482 1.00 0.00 H new ATOM 0 HB3 MET A 23 -0.268 -6.829 4.032 1.00 0.00 H new ATOM 0 HG2 MET A 23 0.167 -4.457 4.734 1.00 0.00 H new ATOM 0 HG3 MET A 23 1.841 -4.891 5.021 1.00 0.00 H new ATOM 0 HE1 MET A 23 1.782 -2.836 1.603 1.00 0.00 H new ATOM 0 HE2 MET A 23 1.117 -2.605 3.237 1.00 0.00 H new ATOM 0 HE3 MET A 23 2.816 -3.091 3.028 1.00 0.00 H new ATOM 364 N PRO A 24 -1.475 -8.777 6.069 1.00 0.00 N ATOM 365 CA PRO A 24 -1.837 -10.191 6.067 1.00 0.00 C ATOM 366 C PRO A 24 -1.195 -10.919 4.880 1.00 0.00 C ATOM 367 O PRO A 24 -1.417 -10.560 3.728 1.00 0.00 O ATOM 368 CB PRO A 24 -3.368 -10.188 5.935 1.00 0.00 C ATOM 369 CG PRO A 24 -3.706 -8.852 5.373 1.00 0.00 C ATOM 370 CD PRO A 24 -2.650 -7.906 5.868 1.00 0.00 C ATOM 0 HA PRO A 24 -1.493 -10.708 6.963 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -3.709 -10.989 5.279 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -3.847 -10.342 6.902 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -3.722 -8.881 4.284 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -4.696 -8.533 5.698 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -2.446 -7.117 5.144 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -2.951 -7.418 6.795 1.00 0.00 H new ATOM 378 N GLY A 25 -0.381 -11.909 5.169 1.00 0.00 N ATOM 379 CA GLY A 25 0.273 -12.639 4.126 1.00 0.00 C ATOM 380 C GLY A 25 1.772 -12.453 4.175 1.00 0.00 C ATOM 381 O GLY A 25 2.526 -13.215 3.583 1.00 0.00 O ATOM 0 H GLY A 25 -0.162 -12.220 6.115 1.00 0.00 H new ATOM 0 HA2 GLY A 25 0.034 -13.699 4.217 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.104 -12.309 3.158 1.00 0.00 H new ATOM 385 N VAL A 26 2.209 -11.457 4.901 1.00 0.00 N ATOM 386 CA VAL A 26 3.608 -11.131 4.966 1.00 0.00 C ATOM 387 C VAL A 26 4.281 -11.734 6.198 1.00 0.00 C ATOM 388 O VAL A 26 3.720 -11.759 7.296 1.00 0.00 O ATOM 389 CB VAL A 26 3.836 -9.596 4.918 1.00 0.00 C ATOM 390 CG1 VAL A 26 5.320 -9.238 5.009 1.00 0.00 C ATOM 391 CG2 VAL A 26 3.232 -9.014 3.649 1.00 0.00 C ATOM 0 H VAL A 26 1.608 -10.852 5.461 1.00 0.00 H new ATOM 0 HA VAL A 26 4.073 -11.574 4.085 1.00 0.00 H new ATOM 0 HB VAL A 26 3.339 -9.162 5.785 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.436 -8.155 4.972 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.728 -9.615 5.947 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.855 -9.689 4.173 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.399 -7.937 3.627 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.703 -9.472 2.779 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.161 -9.216 3.630 1.00 0.00 H new ATOM 401 N ASN A 27 5.468 -12.229 5.975 1.00 0.00 N ATOM 402 CA ASN A 27 6.348 -12.784 6.988 1.00 0.00 C ATOM 403 C ASN A 27 7.690 -12.196 6.721 1.00 0.00 C ATOM 404 O ASN A 27 7.922 -11.731 5.616 1.00 0.00 O ATOM 405 CB ASN A 27 6.489 -14.314 6.875 1.00 0.00 C ATOM 406 CG ASN A 27 5.222 -15.090 7.111 1.00 0.00 C ATOM 407 OD1 ASN A 27 4.552 -15.429 6.061 1.00 0.00 O flip ATOM 408 ND2 ASN A 27 4.900 -15.444 8.242 1.00 0.00 N flip ATOM 0 H ASN A 27 5.875 -12.262 5.040 1.00 0.00 H new ATOM 0 HA ASN A 27 5.946 -12.559 7.976 1.00 0.00 H new ATOM 0 HB2 ASN A 27 6.866 -14.556 5.881 1.00 0.00 H new ATOM 0 HB3 ASN A 27 7.240 -14.648 7.591 1.00 0.00 H new ATOM 0 HD21 ASN A 27 5.457 -15.154 9.045 1.00 0.00 H new ATOM 0 HD22 ASN A 27 4.075 -16.028 8.378 1.00 0.00 H new ATOM 415 N ALA A 28 8.588 -12.254 7.674 1.00 0.00 N ATOM 416 CA ALA A 28 9.931 -11.710 7.508 1.00 0.00 C ATOM 417 C ALA A 28 10.637 -12.325 6.305 1.00 0.00 C ATOM 418 O ALA A 28 11.312 -11.629 5.547 1.00 0.00 O ATOM 419 CB ALA A 28 10.752 -11.928 8.763 1.00 0.00 C ATOM 0 H ALA A 28 8.418 -12.676 8.587 1.00 0.00 H new ATOM 0 HA ALA A 28 9.833 -10.639 7.330 1.00 0.00 H new ATOM 0 HB1 ALA A 28 11.751 -11.516 8.621 1.00 0.00 H new ATOM 0 HB2 ALA A 28 10.270 -11.429 9.604 1.00 0.00 H new ATOM 0 HB3 ALA A 28 10.826 -12.996 8.968 1.00 0.00 H new ATOM 425 N LYS A 29 10.376 -13.605 6.067 1.00 0.00 N ATOM 426 CA LYS A 29 11.060 -14.321 5.009 1.00 0.00 C ATOM 427 C LYS A 29 10.594 -13.859 3.640 1.00 0.00 C ATOM 428 O LYS A 29 11.397 -13.662 2.700 1.00 0.00 O ATOM 429 CB LYS A 29 10.891 -15.832 5.186 1.00 0.00 C ATOM 430 CG LYS A 29 9.451 -16.339 5.198 1.00 0.00 C ATOM 431 CD LYS A 29 9.419 -17.832 5.446 1.00 0.00 C ATOM 432 CE LYS A 29 8.006 -18.349 5.638 1.00 0.00 C ATOM 433 NZ LYS A 29 7.993 -19.796 5.921 1.00 0.00 N ATOM 0 H LYS A 29 9.700 -14.161 6.591 1.00 0.00 H new ATOM 0 HA LYS A 29 12.124 -14.095 5.076 1.00 0.00 H new ATOM 0 HB2 LYS A 29 11.428 -16.336 4.382 1.00 0.00 H new ATOM 0 HB3 LYS A 29 11.368 -16.126 6.121 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.884 -15.823 5.973 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.971 -16.112 4.246 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.882 -18.349 4.605 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.013 -18.065 6.330 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.530 -17.813 6.459 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.419 -18.147 4.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.012 -20.116 6.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.426 -20.309 5.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.533 -19.985 6.790 1.00 0.00 H new ATOM 447 N ASN A 30 9.338 -13.592 3.533 1.00 0.00 N ATOM 448 CA ASN A 30 8.820 -13.216 2.269 1.00 0.00 C ATOM 449 C ASN A 30 8.918 -11.721 2.077 1.00 0.00 C ATOM 450 O ASN A 30 8.900 -11.249 0.975 1.00 0.00 O ATOM 451 CB ASN A 30 7.413 -13.784 2.004 1.00 0.00 C ATOM 452 CG ASN A 30 6.279 -13.240 2.873 1.00 0.00 C ATOM 453 OD1 ASN A 30 6.298 -12.121 3.332 1.00 0.00 O ATOM 454 ND2 ASN A 30 5.279 -14.042 3.090 1.00 0.00 N ATOM 0 H ASN A 30 8.661 -13.627 4.295 1.00 0.00 H new ATOM 0 HA ASN A 30 9.444 -13.676 1.503 1.00 0.00 H new ATOM 0 HB2 ASN A 30 7.162 -13.597 0.960 1.00 0.00 H new ATOM 0 HB3 ASN A 30 7.452 -14.866 2.134 1.00 0.00 H new ATOM 0 HD21 ASN A 30 4.490 -13.732 3.657 1.00 0.00 H new ATOM 0 HD22 ASN A 30 5.283 -14.982 2.693 1.00 0.00 H new ATOM 461 N CYS A 31 9.077 -11.007 3.175 1.00 0.00 N ATOM 462 CA CYS A 31 9.268 -9.566 3.173 1.00 0.00 C ATOM 463 C CYS A 31 10.619 -9.226 2.588 1.00 0.00 C ATOM 464 O CYS A 31 10.714 -8.373 1.757 1.00 0.00 O ATOM 465 CB CYS A 31 9.165 -9.014 4.589 1.00 0.00 C ATOM 466 SG CYS A 31 9.427 -7.236 4.762 1.00 0.00 S ATOM 0 H CYS A 31 9.077 -11.417 4.109 1.00 0.00 H new ATOM 0 HA CYS A 31 8.487 -9.112 2.562 1.00 0.00 H new ATOM 0 HB2 CYS A 31 8.178 -9.256 4.982 1.00 0.00 H new ATOM 0 HB3 CYS A 31 9.893 -9.532 5.214 1.00 0.00 H new ATOM 0 HG CYS A 31 9.310 -6.900 6.012 1.00 0.00 H new ATOM 472 N ARG A 32 11.659 -9.918 3.026 1.00 0.00 N ATOM 473 CA ARG A 32 13.004 -9.706 2.478 1.00 0.00 C ATOM 474 C ARG A 32 13.044 -10.090 0.996 1.00 0.00 C ATOM 475 O ARG A 32 13.639 -9.381 0.164 1.00 0.00 O ATOM 476 CB ARG A 32 14.039 -10.473 3.308 1.00 0.00 C ATOM 477 CG ARG A 32 13.690 -11.926 3.502 1.00 0.00 C ATOM 478 CD ARG A 32 14.445 -12.858 2.578 1.00 0.00 C ATOM 479 NE ARG A 32 15.844 -13.001 2.930 1.00 0.00 N ATOM 480 CZ ARG A 32 16.575 -14.081 2.634 1.00 0.00 C ATOM 481 NH1 ARG A 32 16.023 -15.104 1.978 1.00 0.00 N ATOM 482 NH2 ARG A 32 17.849 -14.140 2.985 1.00 0.00 N ATOM 0 H ARG A 32 11.606 -10.629 3.755 1.00 0.00 H new ATOM 0 HA ARG A 32 13.258 -8.648 2.540 1.00 0.00 H new ATOM 0 HB2 ARG A 32 15.011 -10.402 2.819 1.00 0.00 H new ATOM 0 HB3 ARG A 32 14.137 -9.997 4.284 1.00 0.00 H new ATOM 0 HG2 ARG A 32 13.896 -12.206 4.535 1.00 0.00 H new ATOM 0 HG3 ARG A 32 12.620 -12.059 3.343 1.00 0.00 H new ATOM 0 HD2 ARG A 32 13.971 -13.839 2.595 1.00 0.00 H new ATOM 0 HD3 ARG A 32 14.370 -12.486 1.556 1.00 0.00 H new ATOM 0 HE ARG A 32 16.296 -12.236 3.431 1.00 0.00 H new ATOM 0 HH11 ARG A 32 15.042 -15.063 1.702 1.00 0.00 H new ATOM 0 HH12 ARG A 32 16.582 -15.927 1.753 1.00 0.00 H new ATOM 0 HH21 ARG A 32 18.277 -13.360 3.483 1.00 0.00 H new ATOM 0 HH22 ARG A 32 18.403 -14.966 2.757 1.00 0.00 H new ATOM 496 N SER A 33 12.367 -11.187 0.662 1.00 0.00 N ATOM 497 CA SER A 33 12.249 -11.618 -0.718 1.00 0.00 C ATOM 498 C SER A 33 11.507 -10.526 -1.518 1.00 0.00 C ATOM 499 O SER A 33 11.919 -10.122 -2.618 1.00 0.00 O ATOM 500 CB SER A 33 11.474 -12.942 -0.748 1.00 0.00 C ATOM 501 OG SER A 33 11.410 -13.528 -2.044 1.00 0.00 O ATOM 0 H SER A 33 11.893 -11.791 1.334 1.00 0.00 H new ATOM 0 HA SER A 33 13.230 -11.772 -1.167 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.944 -13.646 -0.061 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.461 -12.770 -0.384 1.00 0.00 H new ATOM 0 HG SER A 33 10.633 -14.122 -2.096 1.00 0.00 H new ATOM 507 N LEU A 34 10.479 -9.990 -0.900 1.00 0.00 N ATOM 508 CA LEU A 34 9.617 -8.989 -1.514 1.00 0.00 C ATOM 509 C LEU A 34 10.385 -7.719 -1.712 1.00 0.00 C ATOM 510 O LEU A 34 10.257 -7.061 -2.698 1.00 0.00 O ATOM 511 CB LEU A 34 8.461 -8.657 -0.603 1.00 0.00 C ATOM 512 CG LEU A 34 7.292 -7.965 -1.282 1.00 0.00 C ATOM 513 CD1 LEU A 34 6.410 -8.954 -2.026 1.00 0.00 C ATOM 514 CD2 LEU A 34 6.514 -7.144 -0.311 1.00 0.00 C ATOM 0 H LEU A 34 10.210 -10.235 0.053 1.00 0.00 H new ATOM 0 HA LEU A 34 9.258 -9.393 -2.461 1.00 0.00 H new ATOM 0 HB2 LEU A 34 8.103 -9.578 -0.144 1.00 0.00 H new ATOM 0 HB3 LEU A 34 8.824 -8.019 0.203 1.00 0.00 H new ATOM 0 HG LEU A 34 7.700 -7.284 -2.029 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.585 -8.422 -2.499 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.998 -9.463 -2.790 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.014 -9.688 -1.324 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.684 -6.661 -0.826 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.126 -7.786 0.480 1.00 0.00 H new ATOM 0 HD23 LEU A 34 7.163 -6.384 0.124 1.00 0.00 H new ATOM 526 N MET A 35 11.216 -7.446 -0.765 1.00 0.00 N ATOM 527 CA MET A 35 12.008 -6.249 -0.673 1.00 0.00 C ATOM 528 C MET A 35 12.987 -6.203 -1.811 1.00 0.00 C ATOM 529 O MET A 35 13.408 -5.148 -2.251 1.00 0.00 O ATOM 530 CB MET A 35 12.707 -6.284 0.670 1.00 0.00 C ATOM 531 CG MET A 35 13.389 -5.026 1.100 1.00 0.00 C ATOM 532 SD MET A 35 13.851 -5.105 2.848 1.00 0.00 S ATOM 533 CE MET A 35 12.222 -5.337 3.622 1.00 0.00 C ATOM 0 H MET A 35 11.376 -8.084 0.015 1.00 0.00 H new ATOM 0 HA MET A 35 11.395 -5.351 -0.744 1.00 0.00 H new ATOM 0 HB2 MET A 35 11.973 -6.551 1.430 1.00 0.00 H new ATOM 0 HB3 MET A 35 13.448 -7.083 0.648 1.00 0.00 H new ATOM 0 HG2 MET A 35 14.279 -4.864 0.492 1.00 0.00 H new ATOM 0 HG3 MET A 35 12.729 -4.175 0.932 1.00 0.00 H new ATOM 0 HE1 MET A 35 12.104 -4.628 4.441 1.00 0.00 H new ATOM 0 HE2 MET A 35 11.440 -5.169 2.881 1.00 0.00 H new ATOM 0 HE3 MET A 35 12.144 -6.353 4.008 1.00 0.00 H new ATOM 543 N HIS A 36 13.372 -7.369 -2.259 1.00 0.00 N ATOM 544 CA HIS A 36 14.259 -7.469 -3.383 1.00 0.00 C ATOM 545 C HIS A 36 13.506 -7.512 -4.706 1.00 0.00 C ATOM 546 O HIS A 36 14.071 -7.204 -5.745 1.00 0.00 O ATOM 547 CB HIS A 36 15.182 -8.671 -3.264 1.00 0.00 C ATOM 548 CG HIS A 36 16.183 -8.602 -2.152 1.00 0.00 C ATOM 549 ND1 HIS A 36 17.317 -9.367 -2.130 1.00 0.00 N ATOM 550 CD2 HIS A 36 16.205 -7.873 -1.004 1.00 0.00 C ATOM 551 CE1 HIS A 36 17.991 -9.121 -1.036 1.00 0.00 C ATOM 552 NE2 HIS A 36 17.344 -8.219 -0.335 1.00 0.00 N ATOM 0 H HIS A 36 13.084 -8.263 -1.861 1.00 0.00 H new ATOM 0 HA HIS A 36 14.868 -6.565 -3.374 1.00 0.00 H new ATOM 0 HB2 HIS A 36 14.572 -9.564 -3.127 1.00 0.00 H new ATOM 0 HB3 HIS A 36 15.717 -8.792 -4.206 1.00 0.00 H new ATOM 0 HD2 HIS A 36 15.463 -7.157 -0.683 1.00 0.00 H new ATOM 0 HE1 HIS A 36 18.926 -9.584 -0.756 1.00 0.00 H new ATOM 0 HE2 HIS A 36 17.643 -7.839 0.563 1.00 0.00 H new ATOM 561 N HIS A 37 12.239 -7.891 -4.684 1.00 0.00 N ATOM 562 CA HIS A 37 11.486 -7.993 -5.943 1.00 0.00 C ATOM 563 C HIS A 37 10.579 -6.801 -6.185 1.00 0.00 C ATOM 564 O HIS A 37 10.144 -6.548 -7.309 1.00 0.00 O ATOM 565 CB HIS A 37 10.680 -9.288 -6.015 1.00 0.00 C ATOM 566 CG HIS A 37 11.504 -10.524 -6.230 1.00 0.00 C ATOM 567 ND1 HIS A 37 12.018 -11.414 -5.357 1.00 0.00 N flip ATOM 568 CD2 HIS A 37 11.879 -10.967 -7.475 1.00 0.00 C flip ATOM 569 CE1 HIS A 37 12.684 -12.362 -6.083 1.00 0.00 C flip ATOM 570 NE2 HIS A 37 12.582 -12.066 -7.360 1.00 0.00 N flip ATOM 0 H HIS A 37 11.715 -8.128 -3.842 1.00 0.00 H new ATOM 0 HA HIS A 37 12.234 -8.001 -6.735 1.00 0.00 H new ATOM 0 HB2 HIS A 37 10.114 -9.400 -5.090 1.00 0.00 H new ATOM 0 HB3 HIS A 37 9.955 -9.205 -6.824 1.00 0.00 H new ATOM 0 HD1 HIS A 37 11.927 -11.385 -4.342 1.00 0.00 H new ATOM 0 HD2 HIS A 37 11.631 -10.482 -8.408 1.00 0.00 H new ATOM 0 HE1 HIS A 37 13.208 -13.214 -5.675 1.00 0.00 H new ATOM 579 N VAL A 38 10.323 -6.066 -5.151 1.00 0.00 N ATOM 580 CA VAL A 38 9.396 -4.955 -5.194 1.00 0.00 C ATOM 581 C VAL A 38 10.114 -3.713 -4.701 1.00 0.00 C ATOM 582 O VAL A 38 10.971 -3.800 -3.833 1.00 0.00 O ATOM 583 CB VAL A 38 8.136 -5.226 -4.289 1.00 0.00 C ATOM 584 CG1 VAL A 38 7.107 -4.122 -4.404 1.00 0.00 C ATOM 585 CG2 VAL A 38 7.483 -6.553 -4.628 1.00 0.00 C ATOM 0 H VAL A 38 10.751 -6.213 -4.237 1.00 0.00 H new ATOM 0 HA VAL A 38 9.050 -4.822 -6.219 1.00 0.00 H new ATOM 0 HB VAL A 38 8.500 -5.258 -3.262 1.00 0.00 H new ATOM 0 HG11 VAL A 38 6.255 -4.350 -3.763 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.552 -3.176 -4.094 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.772 -4.043 -5.438 1.00 0.00 H new ATOM 0 HG21 VAL A 38 6.617 -6.707 -3.984 1.00 0.00 H new ATOM 0 HG22 VAL A 38 7.164 -6.546 -5.670 1.00 0.00 H new ATOM 0 HG23 VAL A 38 8.199 -7.361 -4.473 1.00 0.00 H new ATOM 595 N LYS A 39 9.803 -2.581 -5.291 1.00 0.00 N ATOM 596 CA LYS A 39 10.385 -1.320 -4.885 1.00 0.00 C ATOM 597 C LYS A 39 9.782 -0.884 -3.565 1.00 0.00 C ATOM 598 O LYS A 39 10.483 -0.759 -2.566 1.00 0.00 O ATOM 599 CB LYS A 39 10.118 -0.285 -5.960 1.00 0.00 C ATOM 600 CG LYS A 39 10.628 1.109 -5.680 1.00 0.00 C ATOM 601 CD LYS A 39 10.386 2.016 -6.876 1.00 0.00 C ATOM 602 CE LYS A 39 8.907 2.246 -7.152 1.00 0.00 C ATOM 603 NZ LYS A 39 8.699 3.075 -8.350 1.00 0.00 N ATOM 0 H LYS A 39 9.141 -2.507 -6.064 1.00 0.00 H new ATOM 0 HA LYS A 39 11.462 -1.429 -4.754 1.00 0.00 H new ATOM 0 HB2 LYS A 39 10.565 -0.634 -6.891 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.042 -0.230 -6.124 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.128 1.516 -4.801 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.693 1.074 -5.453 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.872 2.976 -6.702 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.852 1.578 -7.759 1.00 0.00 H new ATOM 0 HE2 LYS A 39 8.408 1.286 -7.283 1.00 0.00 H new ATOM 0 HE3 LYS A 39 8.447 2.730 -6.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 7.680 3.210 -8.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.154 4.000 -8.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 9.116 2.601 -9.177 1.00 0.00 H new ATOM 617 N ASN A 40 8.490 -0.637 -3.586 1.00 0.00 N ATOM 618 CA ASN A 40 7.728 -0.288 -2.428 1.00 0.00 C ATOM 619 C ASN A 40 6.258 -0.480 -2.792 1.00 0.00 C ATOM 620 O ASN A 40 5.982 -0.985 -3.891 1.00 0.00 O ATOM 621 CB ASN A 40 8.034 1.170 -2.000 1.00 0.00 C ATOM 622 CG ASN A 40 7.354 1.593 -0.711 1.00 0.00 C ATOM 623 OD1 ASN A 40 7.084 0.786 0.164 1.00 0.00 O ATOM 624 ND2 ASN A 40 7.058 2.828 -0.611 1.00 0.00 N ATOM 0 H ASN A 40 7.933 -0.677 -4.440 1.00 0.00 H new ATOM 0 HA ASN A 40 7.984 -0.918 -1.576 1.00 0.00 H new ATOM 0 HB2 ASN A 40 9.112 1.285 -1.884 1.00 0.00 H new ATOM 0 HB3 ASN A 40 7.726 1.844 -2.799 1.00 0.00 H new ATOM 0 HD21 ASN A 40 6.579 3.172 0.221 1.00 0.00 H new ATOM 0 HD22 ASN A 40 7.300 3.473 -1.363 1.00 0.00 H new ATOM 631 N ILE A 41 5.370 -0.090 -1.885 1.00 0.00 N ATOM 632 CA ILE A 41 3.899 -0.096 -1.975 1.00 0.00 C ATOM 633 C ILE A 41 3.367 -0.039 -3.418 1.00 0.00 C ATOM 634 O ILE A 41 2.561 -0.874 -3.808 1.00 0.00 O ATOM 635 CB ILE A 41 3.376 1.152 -1.233 1.00 0.00 C ATOM 636 CG1 ILE A 41 3.796 1.126 0.241 1.00 0.00 C ATOM 637 CG2 ILE A 41 1.849 1.288 -1.356 1.00 0.00 C ATOM 638 CD1 ILE A 41 3.446 2.384 0.999 1.00 0.00 C ATOM 0 H ILE A 41 5.680 0.273 -0.984 1.00 0.00 H new ATOM 0 HA ILE A 41 3.553 -1.033 -1.539 1.00 0.00 H new ATOM 0 HB ILE A 41 3.826 2.024 -1.707 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.321 0.275 0.729 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.873 0.966 0.299 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.519 2.178 -0.821 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.575 1.374 -2.407 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.370 0.408 -0.927 1.00 0.00 H new ATOM 0 HD11 ILE A 41 3.775 2.289 2.034 1.00 0.00 H new ATOM 0 HD12 ILE A 41 3.943 3.237 0.537 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.367 2.536 0.974 1.00 0.00 H new ATOM 650 N ALA A 42 3.832 0.952 -4.190 1.00 0.00 N ATOM 651 CA ALA A 42 3.398 1.136 -5.586 1.00 0.00 C ATOM 652 C ALA A 42 3.536 -0.122 -6.421 1.00 0.00 C ATOM 653 O ALA A 42 2.575 -0.575 -7.013 1.00 0.00 O ATOM 654 CB ALA A 42 4.138 2.283 -6.226 1.00 0.00 C ATOM 0 H ALA A 42 4.512 1.643 -3.872 1.00 0.00 H new ATOM 0 HA ALA A 42 2.334 1.371 -5.552 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.803 2.402 -7.256 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.938 3.200 -5.671 1.00 0.00 H new ATOM 0 HB3 ALA A 42 5.208 2.077 -6.214 1.00 0.00 H new ATOM 660 N GLU A 43 4.707 -0.709 -6.407 1.00 0.00 N ATOM 661 CA GLU A 43 4.975 -1.881 -7.205 1.00 0.00 C ATOM 662 C GLU A 43 4.279 -3.076 -6.589 1.00 0.00 C ATOM 663 O GLU A 43 3.832 -3.944 -7.285 1.00 0.00 O ATOM 664 CB GLU A 43 6.479 -2.126 -7.297 1.00 0.00 C ATOM 665 CG GLU A 43 7.302 -0.921 -7.731 1.00 0.00 C ATOM 666 CD GLU A 43 6.808 -0.270 -8.985 1.00 0.00 C ATOM 667 OE1 GLU A 43 7.044 -0.809 -10.062 1.00 0.00 O ATOM 668 OE2 GLU A 43 6.178 0.803 -8.889 1.00 0.00 O ATOM 0 H GLU A 43 5.497 -0.391 -5.846 1.00 0.00 H new ATOM 0 HA GLU A 43 4.594 -1.727 -8.214 1.00 0.00 H new ATOM 0 HB2 GLU A 43 6.838 -2.460 -6.323 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.657 -2.940 -7.999 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.303 -0.185 -6.927 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.336 -1.233 -7.878 1.00 0.00 H new ATOM 675 N LEU A 44 4.163 -3.074 -5.269 1.00 0.00 N ATOM 676 CA LEU A 44 3.480 -4.140 -4.536 1.00 0.00 C ATOM 677 C LEU A 44 2.030 -4.234 -4.976 1.00 0.00 C ATOM 678 O LEU A 44 1.532 -5.306 -5.290 1.00 0.00 O ATOM 679 CB LEU A 44 3.566 -3.877 -3.015 1.00 0.00 C ATOM 680 CG LEU A 44 2.802 -4.839 -2.098 1.00 0.00 C ATOM 681 CD1 LEU A 44 3.229 -6.275 -2.334 1.00 0.00 C ATOM 682 CD2 LEU A 44 3.021 -4.457 -0.647 1.00 0.00 C ATOM 0 H LEU A 44 4.538 -2.336 -4.673 1.00 0.00 H new ATOM 0 HA LEU A 44 3.970 -5.089 -4.755 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.617 -3.897 -2.727 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.202 -2.867 -2.825 1.00 0.00 H new ATOM 0 HG LEU A 44 1.740 -4.762 -2.331 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.671 -6.935 -1.670 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.028 -6.549 -3.370 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.295 -6.375 -2.132 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.474 -5.146 -0.003 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.085 -4.508 -0.414 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.662 -3.442 -0.480 1.00 0.00 H new ATOM 694 N ALA A 45 1.390 -3.096 -5.050 1.00 0.00 N ATOM 695 CA ALA A 45 0.021 -3.014 -5.412 1.00 0.00 C ATOM 696 C ALA A 45 -0.162 -3.078 -6.927 1.00 0.00 C ATOM 697 O ALA A 45 -1.284 -3.235 -7.432 1.00 0.00 O ATOM 698 CB ALA A 45 -0.581 -1.761 -4.824 1.00 0.00 C ATOM 0 H ALA A 45 1.823 -2.193 -4.855 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.506 -3.876 -5.002 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.633 -1.698 -5.102 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.494 -1.791 -3.738 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.051 -0.889 -5.207 1.00 0.00 H new ATOM 704 N ALA A 46 0.939 -2.932 -7.643 1.00 0.00 N ATOM 705 CA ALA A 46 0.923 -2.999 -9.087 1.00 0.00 C ATOM 706 C ALA A 46 1.127 -4.422 -9.566 1.00 0.00 C ATOM 707 O ALA A 46 0.710 -4.775 -10.683 1.00 0.00 O ATOM 708 CB ALA A 46 1.984 -2.091 -9.686 1.00 0.00 C ATOM 0 H ALA A 46 1.861 -2.765 -7.240 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.056 -2.656 -9.422 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.951 -2.160 -10.773 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.796 -1.061 -9.382 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.968 -2.399 -9.333 1.00 0.00 H new ATOM 714 N LEU A 47 1.766 -5.240 -8.744 1.00 0.00 N ATOM 715 CA LEU A 47 2.037 -6.606 -9.111 1.00 0.00 C ATOM 716 C LEU A 47 0.794 -7.493 -9.040 1.00 0.00 C ATOM 717 O LEU A 47 -0.247 -7.112 -8.496 1.00 0.00 O ATOM 718 CB LEU A 47 3.167 -7.214 -8.275 1.00 0.00 C ATOM 719 CG LEU A 47 4.544 -6.569 -8.417 1.00 0.00 C ATOM 720 CD1 LEU A 47 5.564 -7.305 -7.577 1.00 0.00 C ATOM 721 CD2 LEU A 47 4.985 -6.521 -9.870 1.00 0.00 C ATOM 0 H LEU A 47 2.104 -4.974 -7.819 1.00 0.00 H new ATOM 0 HA LEU A 47 2.361 -6.571 -10.151 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.876 -7.170 -7.225 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.256 -8.268 -8.537 1.00 0.00 H new ATOM 0 HG LEU A 47 4.470 -5.543 -8.057 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.539 -6.831 -7.691 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.265 -7.272 -6.529 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.624 -8.343 -7.905 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.969 -6.056 -9.937 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.035 -7.534 -10.269 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.268 -5.938 -10.449 1.00 0.00 H new ATOM 733 N SER A 48 0.916 -8.669 -9.597 1.00 0.00 N ATOM 734 CA SER A 48 -0.156 -9.628 -9.620 1.00 0.00 C ATOM 735 C SER A 48 0.063 -10.664 -8.499 1.00 0.00 C ATOM 736 O SER A 48 1.161 -10.734 -7.919 1.00 0.00 O ATOM 737 CB SER A 48 -0.134 -10.303 -10.984 1.00 0.00 C ATOM 738 OG SER A 48 -0.022 -9.322 -12.006 1.00 0.00 O ATOM 0 H SER A 48 1.770 -8.991 -10.052 1.00 0.00 H new ATOM 0 HA SER A 48 -1.121 -9.148 -9.456 1.00 0.00 H new ATOM 0 HB2 SER A 48 0.703 -10.999 -11.042 1.00 0.00 H new ATOM 0 HB3 SER A 48 -1.044 -10.886 -11.126 1.00 0.00 H new ATOM 0 HG SER A 48 -0.007 -9.762 -12.882 1.00 0.00 H new ATOM 744 N GLN A 49 -0.942 -11.492 -8.219 1.00 0.00 N ATOM 745 CA GLN A 49 -0.823 -12.497 -7.173 1.00 0.00 C ATOM 746 C GLN A 49 0.179 -13.565 -7.598 1.00 0.00 C ATOM 747 O GLN A 49 0.820 -14.196 -6.765 1.00 0.00 O ATOM 748 CB GLN A 49 -2.162 -13.158 -6.866 1.00 0.00 C ATOM 749 CG GLN A 49 -2.082 -14.109 -5.686 1.00 0.00 C ATOM 750 CD GLN A 49 -3.304 -14.961 -5.504 1.00 0.00 C ATOM 751 OE1 GLN A 49 -4.415 -14.563 -5.827 1.00 0.00 O ATOM 752 NE2 GLN A 49 -3.105 -16.156 -5.007 1.00 0.00 N ATOM 0 H GLN A 49 -1.841 -11.485 -8.700 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.479 -11.994 -6.269 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.905 -12.388 -6.658 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.505 -13.703 -7.745 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.215 -14.758 -5.813 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.916 -13.531 -4.777 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.163 -16.451 -4.750 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.892 -16.792 -4.877 1.00 0.00 H new ATOM 761 N ASP A 50 0.313 -13.749 -8.907 1.00 0.00 N ATOM 762 CA ASP A 50 1.283 -14.701 -9.476 1.00 0.00 C ATOM 763 C ASP A 50 2.672 -14.355 -9.004 1.00 0.00 C ATOM 764 O ASP A 50 3.435 -15.220 -8.575 1.00 0.00 O ATOM 765 CB ASP A 50 1.266 -14.689 -11.012 1.00 0.00 C ATOM 766 CG ASP A 50 -0.021 -15.187 -11.626 1.00 0.00 C ATOM 767 OD1 ASP A 50 -0.210 -16.415 -11.743 1.00 0.00 O ATOM 768 OD2 ASP A 50 -0.849 -14.358 -12.044 1.00 0.00 O ATOM 0 H ASP A 50 -0.239 -13.251 -9.605 1.00 0.00 H new ATOM 0 HA ASP A 50 0.999 -15.697 -9.137 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.449 -13.671 -11.357 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.090 -15.302 -11.377 1.00 0.00 H new ATOM 773 N GLU A 51 2.962 -13.063 -9.022 1.00 0.00 N ATOM 774 CA GLU A 51 4.243 -12.545 -8.592 1.00 0.00 C ATOM 775 C GLU A 51 4.426 -12.839 -7.122 1.00 0.00 C ATOM 776 O GLU A 51 5.460 -13.345 -6.708 1.00 0.00 O ATOM 777 CB GLU A 51 4.321 -11.034 -8.822 1.00 0.00 C ATOM 778 CG GLU A 51 4.059 -10.608 -10.254 1.00 0.00 C ATOM 779 CD GLU A 51 5.016 -11.236 -11.230 1.00 0.00 C ATOM 780 OE1 GLU A 51 6.139 -10.705 -11.416 1.00 0.00 O ATOM 781 OE2 GLU A 51 4.663 -12.245 -11.847 1.00 0.00 O ATOM 0 H GLU A 51 2.310 -12.345 -9.337 1.00 0.00 H new ATOM 0 HA GLU A 51 5.031 -13.025 -9.173 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.599 -10.541 -8.170 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.310 -10.683 -8.526 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.039 -10.876 -10.528 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.133 -9.523 -10.325 1.00 0.00 H new ATOM 788 N LEU A 52 3.383 -12.574 -6.344 1.00 0.00 N ATOM 789 CA LEU A 52 3.416 -12.796 -4.909 1.00 0.00 C ATOM 790 C LEU A 52 3.648 -14.265 -4.588 1.00 0.00 C ATOM 791 O LEU A 52 4.456 -14.585 -3.753 1.00 0.00 O ATOM 792 CB LEU A 52 2.134 -12.305 -4.227 1.00 0.00 C ATOM 793 CG LEU A 52 1.772 -10.833 -4.417 1.00 0.00 C ATOM 794 CD1 LEU A 52 0.525 -10.480 -3.627 1.00 0.00 C ATOM 795 CD2 LEU A 52 2.936 -9.922 -4.047 1.00 0.00 C ATOM 0 H LEU A 52 2.498 -12.202 -6.690 1.00 0.00 H new ATOM 0 HA LEU A 52 4.250 -12.215 -4.517 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.303 -12.909 -4.591 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.223 -12.497 -3.158 1.00 0.00 H new ATOM 0 HG LEU A 52 1.558 -10.675 -5.474 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.285 -9.427 -3.777 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.308 -11.094 -3.969 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.701 -10.665 -2.567 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.645 -8.882 -4.194 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.204 -10.080 -3.002 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.793 -10.152 -4.680 1.00 0.00 H new ATOM 807 N THR A 53 2.973 -15.149 -5.285 1.00 0.00 N ATOM 808 CA THR A 53 3.122 -16.581 -5.058 1.00 0.00 C ATOM 809 C THR A 53 4.558 -17.020 -5.386 1.00 0.00 C ATOM 810 O THR A 53 5.102 -17.918 -4.760 1.00 0.00 O ATOM 811 CB THR A 53 2.132 -17.372 -5.927 1.00 0.00 C ATOM 812 OG1 THR A 53 0.826 -16.788 -5.803 1.00 0.00 O ATOM 813 CG2 THR A 53 2.050 -18.823 -5.476 1.00 0.00 C ATOM 0 H THR A 53 2.309 -14.907 -6.020 1.00 0.00 H new ATOM 0 HA THR A 53 2.911 -16.785 -4.008 1.00 0.00 H new ATOM 0 HB THR A 53 2.479 -17.337 -6.960 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.801 -15.936 -6.287 1.00 0.00 H new ATOM 0 HG21 THR A 53 1.343 -19.361 -6.107 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.034 -19.286 -5.558 1.00 0.00 H new ATOM 0 HG23 THR A 53 1.715 -18.863 -4.440 1.00 0.00 H new ATOM 821 N SER A 54 5.154 -16.358 -6.341 1.00 0.00 N ATOM 822 CA SER A 54 6.504 -16.641 -6.763 1.00 0.00 C ATOM 823 C SER A 54 7.516 -16.118 -5.697 1.00 0.00 C ATOM 824 O SER A 54 8.487 -16.800 -5.340 1.00 0.00 O ATOM 825 CB SER A 54 6.740 -15.991 -8.136 1.00 0.00 C ATOM 826 OG SER A 54 7.897 -16.493 -8.778 1.00 0.00 O ATOM 0 H SER A 54 4.712 -15.597 -6.856 1.00 0.00 H new ATOM 0 HA SER A 54 6.655 -17.716 -6.856 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.871 -16.164 -8.771 1.00 0.00 H new ATOM 0 HB3 SER A 54 6.835 -14.912 -8.013 1.00 0.00 H new ATOM 0 HG SER A 54 8.006 -16.053 -9.647 1.00 0.00 H new ATOM 832 N ILE A 55 7.256 -14.924 -5.183 1.00 0.00 N ATOM 833 CA ILE A 55 8.118 -14.266 -4.199 1.00 0.00 C ATOM 834 C ILE A 55 8.000 -14.910 -2.815 1.00 0.00 C ATOM 835 O ILE A 55 9.013 -15.283 -2.187 1.00 0.00 O ATOM 836 CB ILE A 55 7.748 -12.761 -4.078 1.00 0.00 C ATOM 837 CG1 ILE A 55 7.968 -12.044 -5.415 1.00 0.00 C ATOM 838 CG2 ILE A 55 8.549 -12.084 -2.966 1.00 0.00 C ATOM 839 CD1 ILE A 55 7.427 -10.628 -5.453 1.00 0.00 C ATOM 0 H ILE A 55 6.434 -14.376 -5.437 1.00 0.00 H new ATOM 0 HA ILE A 55 9.144 -14.377 -4.551 1.00 0.00 H new ATOM 0 HB ILE A 55 6.691 -12.694 -3.818 1.00 0.00 H new ATOM 0 HG12 ILE A 55 9.036 -12.020 -5.631 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.496 -12.624 -6.208 1.00 0.00 H new ATOM 0 HG21 ILE A 55 8.269 -11.032 -2.905 1.00 0.00 H new ATOM 0 HG22 ILE A 55 8.336 -12.572 -2.015 1.00 0.00 H new ATOM 0 HG23 ILE A 55 9.614 -12.164 -3.184 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.622 -10.190 -6.432 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.353 -10.644 -5.270 1.00 0.00 H new ATOM 0 HD13 ILE A 55 7.917 -10.031 -4.684 1.00 0.00 H new ATOM 851 N LEU A 56 6.774 -15.029 -2.353 1.00 0.00 N ATOM 852 CA LEU A 56 6.486 -15.523 -1.021 1.00 0.00 C ATOM 853 C LEU A 56 6.588 -17.036 -1.010 1.00 0.00 C ATOM 854 O LEU A 56 6.909 -17.636 -0.003 1.00 0.00 O ATOM 855 CB LEU A 56 5.065 -15.112 -0.573 1.00 0.00 C ATOM 856 CG LEU A 56 4.563 -13.691 -0.941 1.00 0.00 C ATOM 857 CD1 LEU A 56 3.230 -13.446 -0.312 1.00 0.00 C ATOM 858 CD2 LEU A 56 5.526 -12.592 -0.548 1.00 0.00 C ATOM 0 H LEU A 56 5.944 -14.785 -2.893 1.00 0.00 H new ATOM 0 HA LEU A 56 7.210 -15.089 -0.332 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.362 -15.832 -0.992 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.016 -15.212 0.511 1.00 0.00 H new ATOM 0 HG LEU A 56 4.483 -13.661 -2.028 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.882 -12.447 -0.574 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.515 -14.185 -0.674 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.318 -13.527 0.771 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.112 -11.625 -0.835 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.683 -12.614 0.530 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.478 -12.744 -1.056 1.00 0.00 H new ATOM 870 N GLY A 57 6.269 -17.632 -2.146 1.00 0.00 N ATOM 871 CA GLY A 57 6.362 -19.065 -2.325 1.00 0.00 C ATOM 872 C GLY A 57 5.146 -19.814 -1.858 1.00 0.00 C ATOM 873 O GLY A 57 5.118 -21.043 -1.883 1.00 0.00 O ATOM 0 H GLY A 57 5.938 -17.132 -2.971 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.527 -19.280 -3.381 1.00 0.00 H new ATOM 0 HA3 GLY A 57 7.234 -19.434 -1.785 1.00 0.00 H new ATOM 877 N ASN A 58 4.129 -19.094 -1.439 1.00 0.00 N ATOM 878 CA ASN A 58 2.916 -19.733 -0.975 1.00 0.00 C ATOM 879 C ASN A 58 1.757 -18.944 -1.471 1.00 0.00 C ATOM 880 O ASN A 58 1.720 -17.714 -1.294 1.00 0.00 O ATOM 881 CB ASN A 58 2.826 -19.808 0.571 1.00 0.00 C ATOM 882 CG ASN A 58 4.146 -19.641 1.277 1.00 0.00 C ATOM 883 OD1 ASN A 58 4.409 -18.434 1.692 1.00 0.00 O flip ATOM 884 ND2 ASN A 58 4.899 -20.592 1.480 1.00 0.00 N flip ATOM 0 H ASN A 58 4.116 -18.075 -1.410 1.00 0.00 H new ATOM 0 HA ASN A 58 2.915 -20.755 -1.355 1.00 0.00 H new ATOM 0 HB2 ASN A 58 2.140 -19.037 0.921 1.00 0.00 H new ATOM 0 HB3 ASN A 58 2.396 -20.769 0.852 1.00 0.00 H new ATOM 0 HD21 ASN A 58 4.652 -21.520 1.136 1.00 0.00 H new ATOM 0 HD22 ASN A 58 5.770 -20.453 1.992 1.00 0.00 H new ATOM 891 N ALA A 59 0.801 -19.623 -2.063 1.00 0.00 N ATOM 892 CA ALA A 59 -0.392 -18.990 -2.595 1.00 0.00 C ATOM 893 C ALA A 59 -1.254 -18.460 -1.476 1.00 0.00 C ATOM 894 O ALA A 59 -2.019 -17.550 -1.677 1.00 0.00 O ATOM 895 CB ALA A 59 -1.192 -19.948 -3.454 1.00 0.00 C ATOM 0 H ALA A 59 0.826 -20.635 -2.191 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.070 -18.159 -3.222 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.078 -19.441 -3.836 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.579 -20.286 -4.290 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -1.495 -20.807 -2.855 1.00 0.00 H new ATOM 901 N ALA A 60 -1.095 -19.023 -0.287 1.00 0.00 N ATOM 902 CA ALA A 60 -1.843 -18.587 0.879 1.00 0.00 C ATOM 903 C ALA A 60 -1.464 -17.168 1.204 1.00 0.00 C ATOM 904 O ALA A 60 -2.303 -16.285 1.259 1.00 0.00 O ATOM 905 CB ALA A 60 -1.534 -19.463 2.066 1.00 0.00 C ATOM 0 H ALA A 60 -0.448 -19.790 -0.106 1.00 0.00 H new ATOM 0 HA ALA A 60 -2.908 -18.655 0.659 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.104 -19.120 2.929 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.805 -20.494 1.838 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.469 -19.409 2.290 1.00 0.00 H new ATOM 911 N ASN A 61 -0.169 -16.955 1.356 1.00 0.00 N ATOM 912 CA ASN A 61 0.384 -15.649 1.678 1.00 0.00 C ATOM 913 C ASN A 61 0.067 -14.677 0.563 1.00 0.00 C ATOM 914 O ASN A 61 -0.334 -13.550 0.807 1.00 0.00 O ATOM 915 CB ASN A 61 1.908 -15.733 1.835 1.00 0.00 C ATOM 916 CG ASN A 61 2.440 -16.396 3.103 1.00 0.00 C ATOM 917 OD1 ASN A 61 3.560 -16.139 3.497 1.00 0.00 O ATOM 918 ND2 ASN A 61 1.683 -17.218 3.735 1.00 0.00 N ATOM 0 H ASN A 61 0.534 -17.687 1.259 1.00 0.00 H new ATOM 0 HA ASN A 61 -0.058 -15.310 2.615 1.00 0.00 H new ATOM 0 HB2 ASN A 61 2.307 -16.274 0.977 1.00 0.00 H new ATOM 0 HB3 ASN A 61 2.309 -14.721 1.788 1.00 0.00 H new ATOM 0 HD21 ASN A 61 2.019 -17.670 4.586 1.00 0.00 H new ATOM 0 HD22 ASN A 61 0.746 -17.419 3.386 1.00 0.00 H new ATOM 925 N ALA A 62 0.192 -15.167 -0.664 1.00 0.00 N ATOM 926 CA ALA A 62 -0.016 -14.378 -1.858 1.00 0.00 C ATOM 927 C ALA A 62 -1.448 -13.930 -1.972 1.00 0.00 C ATOM 928 O ALA A 62 -1.705 -12.804 -2.315 1.00 0.00 O ATOM 929 CB ALA A 62 0.360 -15.196 -3.069 1.00 0.00 C ATOM 0 H ALA A 62 0.444 -16.137 -0.854 1.00 0.00 H new ATOM 0 HA ALA A 62 0.612 -13.489 -1.799 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.204 -14.604 -3.971 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.409 -15.485 -3.001 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -0.261 -16.091 -3.111 1.00 0.00 H new ATOM 935 N LYS A 63 -2.370 -14.812 -1.648 1.00 0.00 N ATOM 936 CA LYS A 63 -3.766 -14.521 -1.773 1.00 0.00 C ATOM 937 C LYS A 63 -4.200 -13.604 -0.660 1.00 0.00 C ATOM 938 O LYS A 63 -5.001 -12.725 -0.876 1.00 0.00 O ATOM 939 CB LYS A 63 -4.590 -15.813 -1.814 1.00 0.00 C ATOM 940 CG LYS A 63 -6.088 -15.599 -1.967 1.00 0.00 C ATOM 941 CD LYS A 63 -6.840 -16.917 -2.016 1.00 0.00 C ATOM 942 CE LYS A 63 -8.329 -16.700 -2.267 1.00 0.00 C ATOM 943 NZ LYS A 63 -8.585 -16.069 -3.583 1.00 0.00 N ATOM 0 H LYS A 63 -2.165 -15.746 -1.292 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.942 -14.005 -2.717 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -4.237 -16.428 -2.641 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.407 -16.375 -0.898 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.457 -15.000 -1.135 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.284 -15.034 -2.878 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.425 -17.545 -2.804 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.702 -17.451 -1.076 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.848 -17.657 -2.217 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.742 -16.072 -1.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.588 -16.183 -3.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.354 -15.056 -3.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.993 -16.524 -4.307 1.00 0.00 H new ATOM 957 N GLN A 64 -3.626 -13.796 0.527 1.00 0.00 N ATOM 958 CA GLN A 64 -3.917 -12.929 1.660 1.00 0.00 C ATOM 959 C GLN A 64 -3.498 -11.500 1.347 1.00 0.00 C ATOM 960 O GLN A 64 -4.263 -10.550 1.547 1.00 0.00 O ATOM 961 CB GLN A 64 -3.211 -13.409 2.928 1.00 0.00 C ATOM 962 CG GLN A 64 -3.684 -14.735 3.456 1.00 0.00 C ATOM 963 CD GLN A 64 -3.083 -15.035 4.811 1.00 0.00 C ATOM 964 OE1 GLN A 64 -3.645 -14.695 5.847 1.00 0.00 O ATOM 965 NE2 GLN A 64 -1.935 -15.654 4.815 1.00 0.00 N ATOM 0 H GLN A 64 -2.960 -14.542 0.725 1.00 0.00 H new ATOM 0 HA GLN A 64 -4.992 -12.963 1.837 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -2.142 -13.475 2.727 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -3.343 -12.657 3.706 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -4.771 -14.732 3.531 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -3.416 -15.525 2.754 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -1.497 -15.922 3.934 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -1.475 -15.870 5.699 1.00 0.00 H new ATOM 974 N LEU A 65 -2.308 -11.370 0.807 1.00 0.00 N ATOM 975 CA LEU A 65 -1.757 -10.088 0.477 1.00 0.00 C ATOM 976 C LEU A 65 -2.479 -9.482 -0.731 1.00 0.00 C ATOM 977 O LEU A 65 -2.841 -8.308 -0.717 1.00 0.00 O ATOM 978 CB LEU A 65 -0.249 -10.226 0.243 1.00 0.00 C ATOM 979 CG LEU A 65 0.538 -8.943 -0.017 1.00 0.00 C ATOM 980 CD1 LEU A 65 0.319 -7.943 1.107 1.00 0.00 C ATOM 981 CD2 LEU A 65 2.019 -9.268 -0.145 1.00 0.00 C ATOM 0 H LEU A 65 -1.698 -12.157 0.586 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.908 -9.400 1.309 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.184 -10.717 1.114 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.099 -10.892 -0.606 1.00 0.00 H new ATOM 0 HG LEU A 65 0.184 -8.497 -0.947 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.888 -7.036 0.903 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.741 -7.699 1.175 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.653 -8.376 2.050 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.578 -8.351 -0.330 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.372 -9.728 0.778 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.170 -9.959 -0.975 1.00 0.00 H new ATOM 993 N TYR A 66 -2.737 -10.300 -1.748 1.00 0.00 N ATOM 994 CA TYR A 66 -3.433 -9.848 -2.946 1.00 0.00 C ATOM 995 C TYR A 66 -4.853 -9.407 -2.617 1.00 0.00 C ATOM 996 O TYR A 66 -5.348 -8.440 -3.188 1.00 0.00 O ATOM 997 CB TYR A 66 -3.441 -10.942 -4.021 1.00 0.00 C ATOM 998 CG TYR A 66 -4.118 -10.549 -5.315 1.00 0.00 C ATOM 999 CD1 TYR A 66 -3.475 -9.733 -6.234 1.00 0.00 C ATOM 1000 CD2 TYR A 66 -5.398 -11.000 -5.620 1.00 0.00 C ATOM 1001 CE1 TYR A 66 -4.086 -9.375 -7.414 1.00 0.00 C ATOM 1002 CE2 TYR A 66 -6.014 -10.646 -6.799 1.00 0.00 C ATOM 1003 CZ TYR A 66 -5.355 -9.834 -7.692 1.00 0.00 C ATOM 1004 OH TYR A 66 -5.971 -9.470 -8.868 1.00 0.00 O ATOM 0 H TYR A 66 -2.472 -11.285 -1.764 1.00 0.00 H new ATOM 0 HA TYR A 66 -2.893 -8.987 -3.341 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -2.412 -11.228 -4.237 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -3.939 -11.824 -3.619 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -2.479 -9.373 -6.020 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -5.917 -11.638 -4.920 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -3.573 -8.737 -8.119 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -7.009 -11.004 -7.021 1.00 0.00 H new ATOM 0 HH TYR A 66 -6.861 -9.879 -8.911 1.00 0.00 H new ATOM 1014 N ASP A 67 -5.492 -10.112 -1.698 1.00 0.00 N ATOM 1015 CA ASP A 67 -6.839 -9.769 -1.244 1.00 0.00 C ATOM 1016 C ASP A 67 -6.821 -8.438 -0.547 1.00 0.00 C ATOM 1017 O ASP A 67 -7.702 -7.611 -0.748 1.00 0.00 O ATOM 1018 CB ASP A 67 -7.402 -10.832 -0.293 1.00 0.00 C ATOM 1019 CG ASP A 67 -8.767 -10.465 0.254 1.00 0.00 C ATOM 1020 OD1 ASP A 67 -9.777 -10.663 -0.458 1.00 0.00 O ATOM 1021 OD2 ASP A 67 -8.862 -9.974 1.401 1.00 0.00 O ATOM 0 H ASP A 67 -5.098 -10.936 -1.244 1.00 0.00 H new ATOM 0 HA ASP A 67 -7.482 -9.721 -2.123 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -7.470 -11.784 -0.819 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -6.709 -10.975 0.536 1.00 0.00 H new ATOM 1026 N PHE A 68 -5.801 -8.224 0.249 1.00 0.00 N ATOM 1027 CA PHE A 68 -5.640 -6.992 0.975 1.00 0.00 C ATOM 1028 C PHE A 68 -5.429 -5.834 -0.010 1.00 0.00 C ATOM 1029 O PHE A 68 -6.111 -4.812 0.068 1.00 0.00 O ATOM 1030 CB PHE A 68 -4.475 -7.130 1.962 1.00 0.00 C ATOM 1031 CG PHE A 68 -4.349 -6.007 2.945 1.00 0.00 C ATOM 1032 CD1 PHE A 68 -5.358 -5.763 3.865 1.00 0.00 C ATOM 1033 CD2 PHE A 68 -3.225 -5.205 2.962 1.00 0.00 C ATOM 1034 CE1 PHE A 68 -5.246 -4.740 4.779 1.00 0.00 C ATOM 1035 CE2 PHE A 68 -3.109 -4.181 3.876 1.00 0.00 C ATOM 1036 CZ PHE A 68 -4.120 -3.947 4.787 1.00 0.00 C ATOM 0 H PHE A 68 -5.058 -8.904 0.410 1.00 0.00 H new ATOM 0 HA PHE A 68 -6.539 -6.773 1.550 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -4.591 -8.064 2.512 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -3.546 -7.206 1.397 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -6.242 -6.383 3.864 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.430 -5.382 2.253 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -6.040 -4.559 5.489 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -2.225 -3.560 3.880 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.028 -3.144 5.504 1.00 0.00 H new ATOM 1046 N ILE A 69 -4.527 -6.042 -0.968 1.00 0.00 N ATOM 1047 CA ILE A 69 -4.219 -5.068 -2.027 1.00 0.00 C ATOM 1048 C ILE A 69 -5.444 -4.782 -2.901 1.00 0.00 C ATOM 1049 O ILE A 69 -5.644 -3.634 -3.369 1.00 0.00 O ATOM 1050 CB ILE A 69 -3.078 -5.602 -2.942 1.00 0.00 C ATOM 1051 CG1 ILE A 69 -1.781 -5.751 -2.147 1.00 0.00 C ATOM 1052 CG2 ILE A 69 -2.864 -4.693 -4.159 1.00 0.00 C ATOM 1053 CD1 ILE A 69 -0.678 -6.443 -2.913 1.00 0.00 C ATOM 0 H ILE A 69 -3.980 -6.900 -1.036 1.00 0.00 H new ATOM 0 HA ILE A 69 -3.908 -4.147 -1.533 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.377 -6.583 -3.310 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.436 -4.763 -1.843 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.986 -6.312 -1.235 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -2.061 -5.095 -4.776 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -3.782 -4.646 -4.744 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.597 -3.691 -3.822 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.211 -6.513 -2.287 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.004 -7.444 -3.195 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -0.445 -5.871 -3.811 1.00 0.00 H new ATOM 1065 N HIS A 70 -6.249 -5.818 -3.110 1.00 0.00 N ATOM 1066 CA HIS A 70 -7.398 -5.766 -3.990 1.00 0.00 C ATOM 1067 C HIS A 70 -8.725 -5.949 -3.302 1.00 0.00 C ATOM 1068 O HIS A 70 -9.468 -6.905 -3.561 1.00 0.00 O ATOM 1069 CB HIS A 70 -7.269 -6.678 -5.208 1.00 0.00 C ATOM 1070 CG HIS A 70 -6.529 -6.055 -6.338 1.00 0.00 C ATOM 1071 ND1 HIS A 70 -5.220 -6.346 -6.655 1.00 0.00 N ATOM 1072 CD2 HIS A 70 -6.942 -5.153 -7.253 1.00 0.00 C ATOM 1073 CE1 HIS A 70 -4.868 -5.644 -7.718 1.00 0.00 C ATOM 1074 NE2 HIS A 70 -5.896 -4.917 -8.094 1.00 0.00 N ATOM 0 H HIS A 70 -6.115 -6.726 -2.665 1.00 0.00 H new ATOM 0 HA HIS A 70 -7.393 -4.738 -4.353 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -6.761 -7.596 -4.913 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -8.265 -6.961 -5.548 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -7.921 -4.701 -7.309 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -3.900 -5.664 -8.196 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -5.909 -4.278 -8.889 1.00 0.00 H new ATOM 1083 N THR A 71 -8.974 -5.077 -2.394 1.00 0.00 N ATOM 1084 CA THR A 71 -10.238 -4.931 -1.759 1.00 0.00 C ATOM 1085 C THR A 71 -10.377 -3.488 -1.387 1.00 0.00 C ATOM 1086 O THR A 71 -9.524 -2.959 -0.659 1.00 0.00 O ATOM 1087 CB THR A 71 -10.376 -5.775 -0.476 1.00 0.00 C ATOM 1088 OG1 THR A 71 -10.298 -7.178 -0.772 1.00 0.00 O ATOM 1089 CG2 THR A 71 -11.685 -5.463 0.240 1.00 0.00 C ATOM 0 H THR A 71 -8.274 -4.416 -2.057 1.00 0.00 H new ATOM 0 HA THR A 71 -11.008 -5.273 -2.450 1.00 0.00 H new ATOM 0 HB THR A 71 -9.548 -5.514 0.183 1.00 0.00 H new ATOM 0 HG1 THR A 71 -9.376 -7.487 -0.650 1.00 0.00 H new ATOM 0 HG21 THR A 71 -11.760 -6.070 1.142 1.00 0.00 H new ATOM 0 HG22 THR A 71 -11.709 -4.407 0.510 1.00 0.00 H new ATOM 0 HG23 THR A 71 -12.523 -5.688 -0.420 1.00 0.00 H new ATOM 1097 N SER A 72 -11.379 -2.834 -1.936 1.00 0.00 N ATOM 1098 CA SER A 72 -11.681 -1.488 -1.600 1.00 0.00 C ATOM 1099 C SER A 72 -11.934 -1.419 -0.126 1.00 0.00 C ATOM 1100 O SER A 72 -12.482 -2.366 0.476 1.00 0.00 O ATOM 1101 CB SER A 72 -12.905 -0.999 -2.369 1.00 0.00 C ATOM 1102 OG SER A 72 -13.219 0.345 -2.054 1.00 0.00 O ATOM 0 H SER A 72 -12.004 -3.239 -2.633 1.00 0.00 H new ATOM 0 HA SER A 72 -10.843 -0.845 -1.870 1.00 0.00 H new ATOM 0 HB2 SER A 72 -12.722 -1.088 -3.440 1.00 0.00 H new ATOM 0 HB3 SER A 72 -13.759 -1.636 -2.137 1.00 0.00 H new ATOM 0 HG SER A 72 -12.430 0.908 -2.200 1.00 0.00 H new ATOM 1108 N PHE A 73 -11.594 -0.308 0.429 1.00 0.00 N ATOM 1109 CA PHE A 73 -11.608 -0.084 1.858 1.00 0.00 C ATOM 1110 C PHE A 73 -13.029 -0.147 2.442 1.00 0.00 C ATOM 1111 O PHE A 73 -13.215 -0.072 3.655 1.00 0.00 O ATOM 1112 CB PHE A 73 -10.985 1.263 2.149 1.00 0.00 C ATOM 1113 CG PHE A 73 -9.832 1.632 1.232 1.00 0.00 C ATOM 1114 CD1 PHE A 73 -8.547 1.188 1.469 1.00 0.00 C ATOM 1115 CD2 PHE A 73 -10.061 2.420 0.114 1.00 0.00 C ATOM 1116 CE1 PHE A 73 -7.518 1.516 0.620 1.00 0.00 C ATOM 1117 CE2 PHE A 73 -9.034 2.758 -0.738 1.00 0.00 C ATOM 1118 CZ PHE A 73 -7.760 2.304 -0.486 1.00 0.00 C ATOM 0 H PHE A 73 -11.286 0.505 -0.105 1.00 0.00 H new ATOM 0 HA PHE A 73 -11.033 -0.879 2.333 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -11.755 2.030 2.071 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -10.630 1.271 3.180 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -8.347 0.574 2.335 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -11.060 2.774 -0.091 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -6.519 1.157 0.819 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -9.228 3.377 -1.601 1.00 0.00 H new ATOM 0 HZ PHE A 73 -6.951 2.564 -1.153 1.00 0.00 H new ATOM 1516 N GLY B 115 -9.231 -3.157 8.190 1.00 0.00 N ATOM 1517 CA GLY B 115 -7.965 -3.482 7.537 1.00 0.00 C ATOM 1518 C GLY B 115 -7.526 -2.457 6.515 1.00 0.00 C ATOM 1519 O GLY B 115 -6.593 -1.702 6.773 1.00 0.00 O ATOM 0 HA2 GLY B 115 -7.189 -3.580 8.297 1.00 0.00 H new ATOM 0 HA3 GLY B 115 -8.057 -4.452 7.049 1.00 0.00 H new ATOM 1523 N PRO B 116 -8.197 -2.386 5.376 1.00 0.00 N ATOM 1524 CA PRO B 116 -7.866 -1.430 4.324 1.00 0.00 C ATOM 1525 C PRO B 116 -8.124 0.067 4.724 1.00 0.00 C ATOM 1526 O PRO B 116 -7.306 0.948 4.398 1.00 0.00 O ATOM 1527 CB PRO B 116 -8.758 -1.895 3.159 1.00 0.00 C ATOM 1528 CG PRO B 116 -9.903 -2.558 3.822 1.00 0.00 C ATOM 1529 CD PRO B 116 -9.319 -3.267 4.991 1.00 0.00 C ATOM 0 HA PRO B 116 -6.803 -1.425 4.085 1.00 0.00 H new ATOM 0 HB2 PRO B 116 -9.084 -1.054 2.547 1.00 0.00 H new ATOM 0 HB3 PRO B 116 -8.227 -2.582 2.500 1.00 0.00 H new ATOM 0 HG2 PRO B 116 -10.651 -1.830 4.136 1.00 0.00 H new ATOM 0 HG3 PRO B 116 -10.400 -3.255 3.147 1.00 0.00 H new ATOM 0 HD2 PRO B 116 -10.042 -3.379 5.799 1.00 0.00 H new ATOM 0 HD3 PRO B 116 -8.977 -4.268 4.728 1.00 0.00 H new ATOM 1537 N GLN B 117 -9.216 0.350 5.452 1.00 0.00 N ATOM 1538 CA GLN B 117 -9.527 1.745 5.845 1.00 0.00 C ATOM 1539 C GLN B 117 -8.444 2.297 6.780 1.00 0.00 C ATOM 1540 O GLN B 117 -7.858 3.358 6.535 1.00 0.00 O ATOM 1541 CB GLN B 117 -10.873 1.847 6.558 1.00 0.00 C ATOM 1542 CG GLN B 117 -11.206 3.281 6.961 1.00 0.00 C ATOM 1543 CD GLN B 117 -12.381 3.396 7.889 1.00 0.00 C ATOM 1544 OE1 GLN B 117 -12.649 2.495 8.696 1.00 0.00 O ATOM 1545 NE2 GLN B 117 -13.100 4.496 7.792 1.00 0.00 N ATOM 0 H GLN B 117 -9.888 -0.346 5.777 1.00 0.00 H new ATOM 0 HA GLN B 117 -9.566 2.328 4.925 1.00 0.00 H new ATOM 0 HB2 GLN B 117 -11.658 1.463 5.906 1.00 0.00 H new ATOM 0 HB3 GLN B 117 -10.860 1.216 7.446 1.00 0.00 H new ATOM 0 HG2 GLN B 117 -10.333 3.725 7.439 1.00 0.00 H new ATOM 0 HG3 GLN B 117 -11.408 3.863 6.062 1.00 0.00 H new ATOM 0 HE21 GLN B 117 -12.845 5.214 7.114 1.00 0.00 H new ATOM 0 HE22 GLN B 117 -13.912 4.630 8.395 1.00 0.00 H new ATOM 1554 N ASP B 118 -8.182 1.555 7.843 1.00 0.00 N ATOM 1555 CA ASP B 118 -7.160 1.903 8.845 1.00 0.00 C ATOM 1556 C ASP B 118 -5.786 1.961 8.208 1.00 0.00 C ATOM 1557 O ASP B 118 -4.913 2.721 8.635 1.00 0.00 O ATOM 1558 CB ASP B 118 -7.189 0.894 9.999 1.00 0.00 C ATOM 1559 CG ASP B 118 -6.017 0.990 10.945 1.00 0.00 C ATOM 1560 OD1 ASP B 118 -5.949 1.941 11.738 1.00 0.00 O ATOM 1561 OD2 ASP B 118 -5.157 0.077 10.934 1.00 0.00 O ATOM 0 H ASP B 118 -8.672 0.684 8.046 1.00 0.00 H new ATOM 0 HA ASP B 118 -7.384 2.891 9.247 1.00 0.00 H new ATOM 0 HB2 ASP B 118 -8.109 1.036 10.566 1.00 0.00 H new ATOM 0 HB3 ASP B 118 -7.222 -0.113 9.583 1.00 0.00 H new ATOM 1566 N PHE B 119 -5.617 1.169 7.164 1.00 0.00 N ATOM 1567 CA PHE B 119 -4.386 1.102 6.411 1.00 0.00 C ATOM 1568 C PHE B 119 -4.096 2.462 5.783 1.00 0.00 C ATOM 1569 O PHE B 119 -2.958 2.890 5.734 1.00 0.00 O ATOM 1570 CB PHE B 119 -4.528 0.018 5.351 1.00 0.00 C ATOM 1571 CG PHE B 119 -3.318 -0.292 4.558 1.00 0.00 C ATOM 1572 CD1 PHE B 119 -2.254 -0.947 5.136 1.00 0.00 C ATOM 1573 CD2 PHE B 119 -3.258 0.041 3.229 1.00 0.00 C ATOM 1574 CE1 PHE B 119 -1.142 -1.266 4.392 1.00 0.00 C ATOM 1575 CE2 PHE B 119 -2.154 -0.273 2.475 1.00 0.00 C ATOM 1576 CZ PHE B 119 -1.097 -0.927 3.050 1.00 0.00 C ATOM 0 H PHE B 119 -6.345 0.546 6.814 1.00 0.00 H new ATOM 0 HA PHE B 119 -3.548 0.851 7.062 1.00 0.00 H new ATOM 0 HB2 PHE B 119 -4.858 -0.898 5.841 1.00 0.00 H new ATOM 0 HB3 PHE B 119 -5.320 0.315 4.663 1.00 0.00 H new ATOM 0 HD1 PHE B 119 -2.293 -1.213 6.182 1.00 0.00 H new ATOM 0 HD2 PHE B 119 -4.089 0.556 2.770 1.00 0.00 H new ATOM 0 HE1 PHE B 119 -0.309 -1.778 4.851 1.00 0.00 H new ATOM 0 HE2 PHE B 119 -2.119 -0.004 1.429 1.00 0.00 H new ATOM 0 HZ PHE B 119 -0.230 -1.178 2.458 1.00 0.00 H new ATOM 1586 N LEU B 120 -5.146 3.132 5.338 1.00 0.00 N ATOM 1587 CA LEU B 120 -5.044 4.482 4.790 1.00 0.00 C ATOM 1588 C LEU B 120 -4.716 5.477 5.879 1.00 0.00 C ATOM 1589 O LEU B 120 -3.735 6.162 5.807 1.00 0.00 O ATOM 1590 CB LEU B 120 -6.362 4.914 4.143 1.00 0.00 C ATOM 1591 CG LEU B 120 -6.837 4.127 2.941 1.00 0.00 C ATOM 1592 CD1 LEU B 120 -8.216 4.617 2.504 1.00 0.00 C ATOM 1593 CD2 LEU B 120 -5.844 4.276 1.812 1.00 0.00 C ATOM 0 H LEU B 120 -6.095 2.759 5.345 1.00 0.00 H new ATOM 0 HA LEU B 120 -4.251 4.464 4.042 1.00 0.00 H new ATOM 0 HB2 LEU B 120 -7.141 4.870 4.904 1.00 0.00 H new ATOM 0 HB3 LEU B 120 -6.265 5.958 3.845 1.00 0.00 H new ATOM 0 HG LEU B 120 -6.914 3.073 3.209 1.00 0.00 H new ATOM 0 HD11 LEU B 120 -8.548 4.044 1.638 1.00 0.00 H new ATOM 0 HD12 LEU B 120 -8.925 4.484 3.321 1.00 0.00 H new ATOM 0 HD13 LEU B 120 -8.160 5.673 2.240 1.00 0.00 H new ATOM 0 HD21 LEU B 120 -6.188 3.708 0.947 1.00 0.00 H new ATOM 0 HD22 LEU B 120 -5.754 5.328 1.543 1.00 0.00 H new ATOM 0 HD23 LEU B 120 -4.872 3.899 2.130 1.00 0.00 H new ATOM 1605 N LEU B 121 -5.530 5.503 6.909 1.00 0.00 N ATOM 1606 CA LEU B 121 -5.421 6.502 7.991 1.00 0.00 C ATOM 1607 C LEU B 121 -4.099 6.417 8.766 1.00 0.00 C ATOM 1608 O LEU B 121 -3.742 7.347 9.494 1.00 0.00 O ATOM 1609 CB LEU B 121 -6.577 6.330 8.964 1.00 0.00 C ATOM 1610 CG LEU B 121 -7.973 6.487 8.383 1.00 0.00 C ATOM 1611 CD1 LEU B 121 -8.999 6.092 9.416 1.00 0.00 C ATOM 1612 CD2 LEU B 121 -8.204 7.922 7.949 1.00 0.00 C ATOM 0 H LEU B 121 -6.293 4.839 7.037 1.00 0.00 H new ATOM 0 HA LEU B 121 -5.453 7.481 7.513 1.00 0.00 H new ATOM 0 HB2 LEU B 121 -6.502 5.340 9.413 1.00 0.00 H new ATOM 0 HB3 LEU B 121 -6.458 7.055 9.769 1.00 0.00 H new ATOM 0 HG LEU B 121 -8.069 5.839 7.512 1.00 0.00 H new ATOM 0 HD11 LEU B 121 -9.999 6.205 8.997 1.00 0.00 H new ATOM 0 HD12 LEU B 121 -8.842 5.053 9.706 1.00 0.00 H new ATOM 0 HD13 LEU B 121 -8.898 6.732 10.292 1.00 0.00 H new ATOM 0 HD21 LEU B 121 -9.208 8.020 7.535 1.00 0.00 H new ATOM 0 HD22 LEU B 121 -8.100 8.583 8.809 1.00 0.00 H new ATOM 0 HD23 LEU B 121 -7.470 8.195 7.191 1.00 0.00 H new ATOM 1624 N LYS B 122 -3.388 5.324 8.636 1.00 0.00 N ATOM 1625 CA LYS B 122 -2.118 5.184 9.324 1.00 0.00 C ATOM 1626 C LYS B 122 -0.971 5.703 8.474 1.00 0.00 C ATOM 1627 O LYS B 122 0.179 5.756 8.926 1.00 0.00 O ATOM 1628 CB LYS B 122 -1.855 3.747 9.724 1.00 0.00 C ATOM 1629 CG LYS B 122 -1.612 2.811 8.570 1.00 0.00 C ATOM 1630 CD LYS B 122 -1.148 1.443 9.034 1.00 0.00 C ATOM 1631 CE LYS B 122 -2.268 0.585 9.658 1.00 0.00 C ATOM 1632 NZ LYS B 122 -2.691 1.010 11.020 1.00 0.00 N ATOM 0 H LYS B 122 -3.659 4.522 8.067 1.00 0.00 H new ATOM 0 HA LYS B 122 -2.181 5.786 10.231 1.00 0.00 H new ATOM 0 HB2 LYS B 122 -0.989 3.720 10.385 1.00 0.00 H new ATOM 0 HB3 LYS B 122 -2.706 3.382 10.298 1.00 0.00 H new ATOM 0 HG2 LYS B 122 -2.529 2.705 7.990 1.00 0.00 H new ATOM 0 HG3 LYS B 122 -0.863 3.242 7.906 1.00 0.00 H new ATOM 0 HD2 LYS B 122 -0.722 0.907 8.186 1.00 0.00 H new ATOM 0 HD3 LYS B 122 -0.349 1.569 9.765 1.00 0.00 H new ATOM 0 HE2 LYS B 122 -3.136 0.609 8.999 1.00 0.00 H new ATOM 0 HE3 LYS B 122 -1.931 -0.451 9.704 1.00 0.00 H new ATOM 0 HZ1 LYS B 122 -2.534 0.231 11.691 1.00 0.00 H new ATOM 0 HZ2 LYS B 122 -2.135 1.838 11.314 1.00 0.00 H new ATOM 0 HZ3 LYS B 122 -3.701 1.258 11.008 1.00 0.00 H new ATOM 1646 N MET B 123 -1.283 6.106 7.262 1.00 0.00 N ATOM 1647 CA MET B 123 -0.281 6.568 6.341 1.00 0.00 C ATOM 1648 C MET B 123 0.089 8.016 6.676 1.00 0.00 C ATOM 1649 O MET B 123 -0.703 8.724 7.307 1.00 0.00 O ATOM 1650 CB MET B 123 -0.791 6.471 4.893 1.00 0.00 C ATOM 1651 CG MET B 123 -1.174 5.062 4.460 1.00 0.00 C ATOM 1652 SD MET B 123 -1.641 4.975 2.726 1.00 0.00 S ATOM 1653 CE MET B 123 -2.029 3.250 2.580 1.00 0.00 C ATOM 0 H MET B 123 -2.234 6.121 6.893 1.00 0.00 H new ATOM 0 HA MET B 123 0.604 5.938 6.433 1.00 0.00 H new ATOM 0 HB2 MET B 123 -1.658 7.122 4.780 1.00 0.00 H new ATOM 0 HB3 MET B 123 -0.020 6.848 4.222 1.00 0.00 H new ATOM 0 HG2 MET B 123 -0.335 4.390 4.641 1.00 0.00 H new ATOM 0 HG3 MET B 123 -2.003 4.710 5.074 1.00 0.00 H new ATOM 0 HE1 MET B 123 -1.467 2.820 1.751 1.00 0.00 H new ATOM 0 HE2 MET B 123 -1.762 2.737 3.504 1.00 0.00 H new ATOM 0 HE3 MET B 123 -3.097 3.132 2.395 1.00 0.00 H new ATOM 1663 N PRO B 124 1.296 8.472 6.343 1.00 0.00 N ATOM 1664 CA PRO B 124 1.662 9.854 6.546 1.00 0.00 C ATOM 1665 C PRO B 124 1.098 10.717 5.433 1.00 0.00 C ATOM 1666 O PRO B 124 1.338 10.452 4.268 1.00 0.00 O ATOM 1667 CB PRO B 124 3.194 9.872 6.486 1.00 0.00 C ATOM 1668 CG PRO B 124 3.621 8.532 5.965 1.00 0.00 C ATOM 1669 CD PRO B 124 2.383 7.691 5.748 1.00 0.00 C ATOM 0 HA PRO B 124 1.276 10.243 7.488 1.00 0.00 H new ATOM 0 HB2 PRO B 124 3.546 10.671 5.834 1.00 0.00 H new ATOM 0 HB3 PRO B 124 3.618 10.056 7.473 1.00 0.00 H new ATOM 0 HG2 PRO B 124 4.172 8.645 5.031 1.00 0.00 H new ATOM 0 HG3 PRO B 124 4.292 8.045 6.673 1.00 0.00 H new ATOM 0 HD2 PRO B 124 2.207 7.511 4.687 1.00 0.00 H new ATOM 0 HD3 PRO B 124 2.478 6.716 6.225 1.00 0.00 H new ATOM 1677 N GLY B 125 0.344 11.721 5.785 1.00 0.00 N ATOM 1678 CA GLY B 125 -0.197 12.576 4.781 1.00 0.00 C ATOM 1679 C GLY B 125 -1.645 12.279 4.523 1.00 0.00 C ATOM 1680 O GLY B 125 -2.146 12.521 3.438 1.00 0.00 O ATOM 0 H GLY B 125 0.096 11.960 6.745 1.00 0.00 H new ATOM 0 HA2 GLY B 125 -0.088 13.615 5.090 1.00 0.00 H new ATOM 0 HA3 GLY B 125 0.369 12.457 3.857 1.00 0.00 H new ATOM 1684 N VAL B 126 -2.320 11.748 5.501 1.00 0.00 N ATOM 1685 CA VAL B 126 -3.699 11.426 5.328 1.00 0.00 C ATOM 1686 C VAL B 126 -4.512 11.888 6.553 1.00 0.00 C ATOM 1687 O VAL B 126 -3.961 12.061 7.646 1.00 0.00 O ATOM 1688 CB VAL B 126 -3.838 9.908 5.090 1.00 0.00 C ATOM 1689 CG1 VAL B 126 -3.615 9.124 6.344 1.00 0.00 C ATOM 1690 CG2 VAL B 126 -5.122 9.541 4.379 1.00 0.00 C ATOM 0 H VAL B 126 -1.937 11.531 6.421 1.00 0.00 H new ATOM 0 HA VAL B 126 -4.097 11.949 4.459 1.00 0.00 H new ATOM 0 HB VAL B 126 -3.039 9.623 4.405 1.00 0.00 H new ATOM 0 HG11 VAL B 126 -3.722 8.060 6.132 1.00 0.00 H new ATOM 0 HG12 VAL B 126 -2.611 9.319 6.722 1.00 0.00 H new ATOM 0 HG13 VAL B 126 -4.349 9.420 7.094 1.00 0.00 H new ATOM 0 HG21 VAL B 126 -5.165 8.461 4.239 1.00 0.00 H new ATOM 0 HG22 VAL B 126 -5.974 9.863 4.977 1.00 0.00 H new ATOM 0 HG23 VAL B 126 -5.154 10.034 3.407 1.00 0.00 H new ATOM 1700 N ASN B 127 -5.787 12.122 6.350 1.00 0.00 N ATOM 1701 CA ASN B 127 -6.729 12.520 7.397 1.00 0.00 C ATOM 1702 C ASN B 127 -8.013 11.824 7.093 1.00 0.00 C ATOM 1703 O ASN B 127 -8.224 11.438 5.960 1.00 0.00 O ATOM 1704 CB ASN B 127 -7.040 14.039 7.408 1.00 0.00 C ATOM 1705 CG ASN B 127 -5.901 14.955 7.788 1.00 0.00 C ATOM 1706 OD1 ASN B 127 -5.269 15.508 6.815 1.00 0.00 O flip ATOM 1707 ND2 ASN B 127 -5.662 15.233 8.965 1.00 0.00 N flip ATOM 0 H ASN B 127 -6.220 12.042 5.430 1.00 0.00 H new ATOM 0 HA ASN B 127 -6.288 12.265 8.361 1.00 0.00 H new ATOM 0 HB2 ASN B 127 -7.390 14.323 6.416 1.00 0.00 H new ATOM 0 HB3 ASN B 127 -7.864 14.214 8.099 1.00 0.00 H new ATOM 0 HD21 ASN B 127 -6.183 14.775 9.713 1.00 0.00 H new ATOM 0 HD22 ASN B 127 -4.944 15.921 9.191 1.00 0.00 H new ATOM 1714 N ALA B 128 -8.894 11.707 8.055 1.00 0.00 N ATOM 1715 CA ALA B 128 -10.178 11.054 7.835 1.00 0.00 C ATOM 1716 C ALA B 128 -11.008 11.789 6.781 1.00 0.00 C ATOM 1717 O ALA B 128 -11.737 11.158 6.011 1.00 0.00 O ATOM 1718 CB ALA B 128 -10.946 10.924 9.136 1.00 0.00 C ATOM 0 H ALA B 128 -8.753 12.054 9.004 1.00 0.00 H new ATOM 0 HA ALA B 128 -9.978 10.052 7.455 1.00 0.00 H new ATOM 0 HB1 ALA B 128 -11.901 10.434 8.947 1.00 0.00 H new ATOM 0 HB2 ALA B 128 -10.367 10.330 9.843 1.00 0.00 H new ATOM 0 HB3 ALA B 128 -11.123 11.915 9.554 1.00 0.00 H new ATOM 1724 N LYS B 129 -10.824 13.109 6.686 1.00 0.00 N ATOM 1725 CA LYS B 129 -11.597 13.906 5.743 1.00 0.00 C ATOM 1726 C LYS B 129 -11.176 13.609 4.311 1.00 0.00 C ATOM 1727 O LYS B 129 -12.000 13.444 3.412 1.00 0.00 O ATOM 1728 CB LYS B 129 -11.487 15.414 6.047 1.00 0.00 C ATOM 1729 CG LYS B 129 -10.072 15.988 5.991 1.00 0.00 C ATOM 1730 CD LYS B 129 -10.017 17.521 6.143 1.00 0.00 C ATOM 1731 CE LYS B 129 -10.416 18.041 7.536 1.00 0.00 C ATOM 1732 NZ LYS B 129 -11.873 17.953 7.837 1.00 0.00 N ATOM 0 H LYS B 129 -10.155 13.638 7.245 1.00 0.00 H new ATOM 0 HA LYS B 129 -12.644 13.625 5.858 1.00 0.00 H new ATOM 0 HB2 LYS B 129 -12.111 15.958 5.337 1.00 0.00 H new ATOM 0 HB3 LYS B 129 -11.898 15.599 7.040 1.00 0.00 H new ATOM 0 HG2 LYS B 129 -9.473 15.532 6.780 1.00 0.00 H new ATOM 0 HG3 LYS B 129 -9.614 15.709 5.042 1.00 0.00 H new ATOM 0 HD2 LYS B 129 -9.005 17.859 5.919 1.00 0.00 H new ATOM 0 HD3 LYS B 129 -10.675 17.971 5.399 1.00 0.00 H new ATOM 0 HE2 LYS B 129 -9.868 17.477 8.291 1.00 0.00 H new ATOM 0 HE3 LYS B 129 -10.102 19.081 7.625 1.00 0.00 H new ATOM 0 HZ1 LYS B 129 -12.193 18.843 8.269 1.00 0.00 H new ATOM 0 HZ2 LYS B 129 -12.400 17.787 6.956 1.00 0.00 H new ATOM 0 HZ3 LYS B 129 -12.044 17.167 8.496 1.00 0.00 H new ATOM 1746 N ASN B 130 -9.914 13.466 4.103 1.00 0.00 N ATOM 1747 CA ASN B 130 -9.456 13.227 2.777 1.00 0.00 C ATOM 1748 C ASN B 130 -9.450 11.763 2.468 1.00 0.00 C ATOM 1749 O ASN B 130 -9.458 11.377 1.329 1.00 0.00 O ATOM 1750 CB ASN B 130 -8.129 13.916 2.475 1.00 0.00 C ATOM 1751 CG ASN B 130 -6.954 13.531 3.354 1.00 0.00 C ATOM 1752 OD1 ASN B 130 -6.815 12.412 3.787 1.00 0.00 O ATOM 1753 ND2 ASN B 130 -6.134 14.492 3.660 1.00 0.00 N ATOM 0 H ASN B 130 -9.190 13.509 4.820 1.00 0.00 H new ATOM 0 HA ASN B 130 -10.169 13.691 2.096 1.00 0.00 H new ATOM 0 HB2 ASN B 130 -7.863 13.707 1.439 1.00 0.00 H new ATOM 0 HB3 ASN B 130 -8.277 14.993 2.555 1.00 0.00 H new ATOM 0 HD21 ASN B 130 -5.346 14.311 4.282 1.00 0.00 H new ATOM 0 HD22 ASN B 130 -6.278 15.427 3.278 1.00 0.00 H new ATOM 1760 N CYS B 131 -9.489 10.961 3.505 1.00 0.00 N ATOM 1761 CA CYS B 131 -9.567 9.534 3.383 1.00 0.00 C ATOM 1762 C CYS B 131 -10.958 9.122 2.928 1.00 0.00 C ATOM 1763 O CYS B 131 -11.095 8.174 2.201 1.00 0.00 O ATOM 1764 CB CYS B 131 -9.215 8.869 4.703 1.00 0.00 C ATOM 1765 SG CYS B 131 -9.206 7.077 4.676 1.00 0.00 S ATOM 0 H CYS B 131 -9.467 11.291 4.470 1.00 0.00 H new ATOM 0 HA CYS B 131 -8.847 9.206 2.633 1.00 0.00 H new ATOM 0 HB2 CYS B 131 -8.230 9.217 5.015 1.00 0.00 H new ATOM 0 HB3 CYS B 131 -9.925 9.201 5.460 1.00 0.00 H new ATOM 0 HG CYS B 131 -9.525 6.624 5.852 1.00 0.00 H new ATOM 1771 N ARG B 132 -11.990 9.844 3.365 1.00 0.00 N ATOM 1772 CA ARG B 132 -13.351 9.560 2.909 1.00 0.00 C ATOM 1773 C ARG B 132 -13.472 9.979 1.440 1.00 0.00 C ATOM 1774 O ARG B 132 -14.022 9.250 0.598 1.00 0.00 O ATOM 1775 CB ARG B 132 -14.399 10.277 3.803 1.00 0.00 C ATOM 1776 CG ARG B 132 -14.350 11.789 3.760 1.00 0.00 C ATOM 1777 CD ARG B 132 -15.371 12.358 2.789 1.00 0.00 C ATOM 1778 NE ARG B 132 -15.017 13.699 2.333 1.00 0.00 N ATOM 1779 CZ ARG B 132 -15.854 14.729 2.251 1.00 0.00 C ATOM 1780 NH1 ARG B 132 -17.053 14.661 2.806 1.00 0.00 N ATOM 1781 NH2 ARG B 132 -15.467 15.841 1.635 1.00 0.00 N ATOM 0 H ARG B 132 -11.913 10.619 4.024 1.00 0.00 H new ATOM 0 HA ARG B 132 -13.554 8.492 2.991 1.00 0.00 H new ATOM 0 HB2 ARG B 132 -15.395 9.952 3.501 1.00 0.00 H new ATOM 0 HB3 ARG B 132 -14.257 9.953 4.834 1.00 0.00 H new ATOM 0 HG2 ARG B 132 -14.535 12.187 4.758 1.00 0.00 H new ATOM 0 HG3 ARG B 132 -13.351 12.112 3.468 1.00 0.00 H new ATOM 0 HD2 ARG B 132 -15.458 11.695 1.928 1.00 0.00 H new ATOM 0 HD3 ARG B 132 -16.349 12.387 3.270 1.00 0.00 H new ATOM 0 HE ARG B 132 -14.049 13.859 2.055 1.00 0.00 H new ATOM 0 HH11 ARG B 132 -17.339 13.816 3.300 1.00 0.00 H new ATOM 0 HH12 ARG B 132 -17.691 15.454 2.740 1.00 0.00 H new ATOM 0 HH21 ARG B 132 -14.533 15.900 1.229 1.00 0.00 H new ATOM 0 HH22 ARG B 132 -16.104 16.635 1.568 1.00 0.00 H new ATOM 1795 N SER B 133 -12.909 11.142 1.139 1.00 0.00 N ATOM 1796 CA SER B 133 -12.855 11.647 -0.211 1.00 0.00 C ATOM 1797 C SER B 133 -12.099 10.637 -1.103 1.00 0.00 C ATOM 1798 O SER B 133 -12.510 10.310 -2.228 1.00 0.00 O ATOM 1799 CB SER B 133 -12.123 12.982 -0.179 1.00 0.00 C ATOM 1800 OG SER B 133 -12.768 13.911 0.693 1.00 0.00 O ATOM 0 H SER B 133 -12.479 11.756 1.830 1.00 0.00 H new ATOM 0 HA SER B 133 -13.857 11.784 -0.619 1.00 0.00 H new ATOM 0 HB2 SER B 133 -11.095 12.827 0.149 1.00 0.00 H new ATOM 0 HB3 SER B 133 -12.077 13.397 -1.186 1.00 0.00 H new ATOM 0 HG SER B 133 -12.389 13.832 1.593 1.00 0.00 H new ATOM 1806 N LEU B 134 -11.042 10.101 -0.543 1.00 0.00 N ATOM 1807 CA LEU B 134 -10.187 9.139 -1.209 1.00 0.00 C ATOM 1808 C LEU B 134 -10.930 7.844 -1.393 1.00 0.00 C ATOM 1809 O LEU B 134 -10.822 7.220 -2.413 1.00 0.00 O ATOM 1810 CB LEU B 134 -8.986 8.845 -0.350 1.00 0.00 C ATOM 1811 CG LEU B 134 -7.834 8.136 -1.032 1.00 0.00 C ATOM 1812 CD1 LEU B 134 -6.928 9.115 -1.762 1.00 0.00 C ATOM 1813 CD2 LEU B 134 -7.082 7.292 -0.052 1.00 0.00 C ATOM 0 H LEU B 134 -10.743 10.323 0.407 1.00 0.00 H new ATOM 0 HA LEU B 134 -9.884 9.554 -2.170 1.00 0.00 H new ATOM 0 HB2 LEU B 134 -8.617 9.787 0.056 1.00 0.00 H new ATOM 0 HB3 LEU B 134 -9.310 8.238 0.496 1.00 0.00 H new ATOM 0 HG LEU B 134 -8.245 7.471 -1.791 1.00 0.00 H new ATOM 0 HD11 LEU B 134 -6.113 8.570 -2.239 1.00 0.00 H new ATOM 0 HD12 LEU B 134 -7.503 9.646 -2.521 1.00 0.00 H new ATOM 0 HD13 LEU B 134 -6.518 9.831 -1.050 1.00 0.00 H new ATOM 0 HD21 LEU B 134 -6.258 6.791 -0.560 1.00 0.00 H new ATOM 0 HD22 LEU B 134 -6.687 7.923 0.744 1.00 0.00 H new ATOM 0 HD23 LEU B 134 -7.752 6.546 0.376 1.00 0.00 H new ATOM 1825 N MET B 135 -11.720 7.495 -0.395 1.00 0.00 N ATOM 1826 CA MET B 135 -12.486 6.267 -0.339 1.00 0.00 C ATOM 1827 C MET B 135 -13.434 6.187 -1.518 1.00 0.00 C ATOM 1828 O MET B 135 -13.830 5.112 -1.956 1.00 0.00 O ATOM 1829 CB MET B 135 -13.282 6.219 0.961 1.00 0.00 C ATOM 1830 CG MET B 135 -13.418 4.840 1.523 1.00 0.00 C ATOM 1831 SD MET B 135 -11.917 4.270 2.310 1.00 0.00 S ATOM 1832 CE MET B 135 -11.911 5.199 3.825 1.00 0.00 C ATOM 0 H MET B 135 -11.850 8.082 0.429 1.00 0.00 H new ATOM 0 HA MET B 135 -11.800 5.421 -0.378 1.00 0.00 H new ATOM 0 HB2 MET B 135 -12.797 6.858 1.699 1.00 0.00 H new ATOM 0 HB3 MET B 135 -14.276 6.632 0.786 1.00 0.00 H new ATOM 0 HG2 MET B 135 -14.232 4.825 2.247 1.00 0.00 H new ATOM 0 HG3 MET B 135 -13.690 4.151 0.724 1.00 0.00 H new ATOM 0 HE1 MET B 135 -11.028 4.938 4.408 1.00 0.00 H new ATOM 0 HE2 MET B 135 -11.894 6.265 3.598 1.00 0.00 H new ATOM 0 HE3 MET B 135 -12.807 4.965 4.399 1.00 0.00 H new ATOM 1842 N HIS B 136 -13.853 7.341 -1.980 1.00 0.00 N ATOM 1843 CA HIS B 136 -14.712 7.410 -3.144 1.00 0.00 C ATOM 1844 C HIS B 136 -13.932 7.513 -4.439 1.00 0.00 C ATOM 1845 O HIS B 136 -14.390 7.036 -5.473 1.00 0.00 O ATOM 1846 CB HIS B 136 -15.729 8.538 -3.036 1.00 0.00 C ATOM 1847 CG HIS B 136 -16.763 8.306 -1.994 1.00 0.00 C ATOM 1848 ND1 HIS B 136 -18.106 8.299 -2.258 1.00 0.00 N ATOM 1849 CD2 HIS B 136 -16.642 8.077 -0.677 1.00 0.00 C ATOM 1850 CE1 HIS B 136 -18.763 8.075 -1.154 1.00 0.00 C ATOM 1851 NE2 HIS B 136 -17.901 7.934 -0.174 1.00 0.00 N ATOM 0 H HIS B 136 -13.615 8.245 -1.571 1.00 0.00 H new ATOM 0 HA HIS B 136 -15.257 6.467 -3.169 1.00 0.00 H new ATOM 0 HB2 HIS B 136 -15.206 9.469 -2.816 1.00 0.00 H new ATOM 0 HB3 HIS B 136 -16.219 8.668 -4.001 1.00 0.00 H new ATOM 0 HD2 HIS B 136 -15.719 8.017 -0.119 1.00 0.00 H new ATOM 0 HE1 HIS B 136 -19.837 8.015 -1.061 1.00 0.00 H new ATOM 0 HE2 HIS B 136 -18.134 7.748 0.801 1.00 0.00 H new ATOM 1860 N HIS B 137 -12.750 8.097 -4.395 1.00 0.00 N ATOM 1861 CA HIS B 137 -11.982 8.273 -5.630 1.00 0.00 C ATOM 1862 C HIS B 137 -11.140 7.064 -5.948 1.00 0.00 C ATOM 1863 O HIS B 137 -10.865 6.774 -7.107 1.00 0.00 O ATOM 1864 CB HIS B 137 -11.091 9.516 -5.596 1.00 0.00 C ATOM 1865 CG HIS B 137 -11.791 10.815 -5.846 1.00 0.00 C ATOM 1866 ND1 HIS B 137 -12.393 11.679 -5.003 1.00 0.00 N flip ATOM 1867 CD2 HIS B 137 -11.883 11.383 -7.093 1.00 0.00 C flip ATOM 1868 CE1 HIS B 137 -12.829 12.742 -5.749 1.00 0.00 C flip ATOM 1869 NE2 HIS B 137 -12.507 12.531 -7.010 1.00 0.00 N flip ATOM 0 H HIS B 137 -12.304 8.451 -3.549 1.00 0.00 H new ATOM 0 HA HIS B 137 -12.724 8.405 -6.417 1.00 0.00 H new ATOM 0 HB2 HIS B 137 -10.604 9.567 -4.622 1.00 0.00 H new ATOM 0 HB3 HIS B 137 -10.303 9.398 -6.340 1.00 0.00 H new ATOM 0 HD1 HIS B 137 -12.503 11.562 -3.996 1.00 0.00 H new ATOM 0 HD2 HIS B 137 -11.499 10.949 -8.004 1.00 0.00 H new ATOM 0 HE1 HIS B 137 -13.350 13.608 -5.368 1.00 0.00 H new ATOM 1878 N VAL B 138 -10.768 6.353 -4.941 1.00 0.00 N ATOM 1879 CA VAL B 138 -9.863 5.247 -5.081 1.00 0.00 C ATOM 1880 C VAL B 138 -10.596 3.984 -4.711 1.00 0.00 C ATOM 1881 O VAL B 138 -11.476 4.008 -3.860 1.00 0.00 O ATOM 1882 CB VAL B 138 -8.617 5.423 -4.144 1.00 0.00 C ATOM 1883 CG1 VAL B 138 -7.584 4.340 -4.362 1.00 0.00 C ATOM 1884 CG2 VAL B 138 -7.978 6.773 -4.347 1.00 0.00 C ATOM 0 H VAL B 138 -11.082 6.518 -3.985 1.00 0.00 H new ATOM 0 HA VAL B 138 -9.510 5.199 -6.111 1.00 0.00 H new ATOM 0 HB VAL B 138 -8.983 5.344 -3.120 1.00 0.00 H new ATOM 0 HG11 VAL B 138 -6.740 4.502 -3.692 1.00 0.00 H new ATOM 0 HG12 VAL B 138 -8.029 3.366 -4.156 1.00 0.00 H new ATOM 0 HG13 VAL B 138 -7.238 4.370 -5.395 1.00 0.00 H new ATOM 0 HG21 VAL B 138 -7.117 6.871 -3.686 1.00 0.00 H new ATOM 0 HG22 VAL B 138 -7.654 6.870 -5.383 1.00 0.00 H new ATOM 0 HG23 VAL B 138 -8.701 7.556 -4.119 1.00 0.00 H new ATOM 1894 N LYS B 139 -10.263 2.903 -5.364 1.00 0.00 N ATOM 1895 CA LYS B 139 -10.859 1.645 -5.056 1.00 0.00 C ATOM 1896 C LYS B 139 -10.145 1.039 -3.875 1.00 0.00 C ATOM 1897 O LYS B 139 -10.660 1.044 -2.767 1.00 0.00 O ATOM 1898 CB LYS B 139 -10.800 0.716 -6.262 1.00 0.00 C ATOM 1899 CG LYS B 139 -11.309 -0.688 -6.017 1.00 0.00 C ATOM 1900 CD LYS B 139 -11.140 -1.503 -7.265 1.00 0.00 C ATOM 1901 CE LYS B 139 -10.941 -2.962 -6.963 1.00 0.00 C ATOM 1902 NZ LYS B 139 -12.117 -3.617 -6.324 1.00 0.00 N ATOM 0 H LYS B 139 -9.576 2.876 -6.117 1.00 0.00 H new ATOM 0 HA LYS B 139 -11.909 1.791 -4.803 1.00 0.00 H new ATOM 0 HB2 LYS B 139 -11.380 1.160 -7.071 1.00 0.00 H new ATOM 0 HB3 LYS B 139 -9.767 0.657 -6.605 1.00 0.00 H new ATOM 0 HG2 LYS B 139 -10.762 -1.146 -5.193 1.00 0.00 H new ATOM 0 HG3 LYS B 139 -12.359 -0.661 -5.727 1.00 0.00 H new ATOM 0 HD2 LYS B 139 -12.018 -1.381 -7.899 1.00 0.00 H new ATOM 0 HD3 LYS B 139 -10.285 -1.130 -7.829 1.00 0.00 H new ATOM 0 HE2 LYS B 139 -10.707 -3.485 -7.890 1.00 0.00 H new ATOM 0 HE3 LYS B 139 -10.077 -3.072 -6.308 1.00 0.00 H new ATOM 0 HZ1 LYS B 139 -11.903 -4.619 -6.147 1.00 0.00 H new ATOM 0 HZ2 LYS B 139 -12.330 -3.144 -5.422 1.00 0.00 H new ATOM 0 HZ3 LYS B 139 -12.940 -3.545 -6.956 1.00 0.00 H new ATOM 1916 N ASN B 140 -8.956 0.560 -4.095 1.00 0.00 N ATOM 1917 CA ASN B 140 -8.208 -0.053 -3.091 1.00 0.00 C ATOM 1918 C ASN B 140 -6.774 0.371 -3.184 1.00 0.00 C ATOM 1919 O ASN B 140 -6.434 1.277 -3.950 1.00 0.00 O ATOM 1920 CB ASN B 140 -8.385 -1.598 -3.141 1.00 0.00 C ATOM 1921 CG ASN B 140 -8.129 -2.302 -4.481 1.00 0.00 C ATOM 1922 OD1 ASN B 140 -7.172 -1.896 -5.216 1.00 0.00 O flip ATOM 1923 ND2 ASN B 140 -8.797 -3.263 -4.804 1.00 0.00 N flip ATOM 0 H ASN B 140 -8.490 0.596 -5.001 1.00 0.00 H new ATOM 0 HA ASN B 140 -8.575 0.270 -2.117 1.00 0.00 H new ATOM 0 HB2 ASN B 140 -7.718 -2.036 -2.399 1.00 0.00 H new ATOM 0 HB3 ASN B 140 -9.404 -1.829 -2.830 1.00 0.00 H new ATOM 0 HD21 ASN B 140 -9.561 -3.578 -4.206 1.00 0.00 H new ATOM 0 HD22 ASN B 140 -8.594 -3.756 -5.674 1.00 0.00 H new ATOM 1930 N ILE B 141 -5.959 -0.280 -2.413 1.00 0.00 N ATOM 1931 CA ILE B 141 -4.527 -0.052 -2.315 1.00 0.00 C ATOM 1932 C ILE B 141 -3.871 0.055 -3.697 1.00 0.00 C ATOM 1933 O ILE B 141 -3.045 0.944 -3.930 1.00 0.00 O ATOM 1934 CB ILE B 141 -3.944 -1.238 -1.578 1.00 0.00 C ATOM 1935 CG1 ILE B 141 -4.509 -1.311 -0.155 1.00 0.00 C ATOM 1936 CG2 ILE B 141 -2.405 -1.221 -1.570 1.00 0.00 C ATOM 1937 CD1 ILE B 141 -4.034 -2.501 0.630 1.00 0.00 C ATOM 0 H ILE B 141 -6.279 -1.027 -1.797 1.00 0.00 H new ATOM 0 HA ILE B 141 -4.341 0.888 -1.795 1.00 0.00 H new ATOM 0 HB ILE B 141 -4.240 -2.138 -2.116 1.00 0.00 H new ATOM 0 HG12 ILE B 141 -4.235 -0.402 0.381 1.00 0.00 H new ATOM 0 HG13 ILE B 141 -5.597 -1.334 -0.208 1.00 0.00 H new ATOM 0 HG21 ILE B 141 -2.034 -2.092 -1.029 1.00 0.00 H new ATOM 0 HG22 ILE B 141 -2.036 -1.246 -2.595 1.00 0.00 H new ATOM 0 HG23 ILE B 141 -2.054 -0.313 -1.080 1.00 0.00 H new ATOM 0 HD11 ILE B 141 -4.478 -2.481 1.625 1.00 0.00 H new ATOM 0 HD12 ILE B 141 -4.331 -3.416 0.119 1.00 0.00 H new ATOM 0 HD13 ILE B 141 -2.948 -2.470 0.716 1.00 0.00 H new ATOM 1949 N ALA B 142 -4.254 -0.851 -4.594 1.00 0.00 N ATOM 1950 CA ALA B 142 -3.751 -0.833 -5.982 1.00 0.00 C ATOM 1951 C ALA B 142 -3.890 0.537 -6.668 1.00 0.00 C ATOM 1952 O ALA B 142 -2.906 1.082 -7.137 1.00 0.00 O ATOM 1953 CB ALA B 142 -4.457 -1.884 -6.791 1.00 0.00 C ATOM 0 H ALA B 142 -4.908 -1.608 -4.394 1.00 0.00 H new ATOM 0 HA ALA B 142 -2.683 -1.045 -5.930 1.00 0.00 H new ATOM 0 HB1 ALA B 142 -4.083 -1.867 -7.815 1.00 0.00 H new ATOM 0 HB2 ALA B 142 -4.273 -2.865 -6.353 1.00 0.00 H new ATOM 0 HB3 ALA B 142 -5.528 -1.683 -6.793 1.00 0.00 H new ATOM 1959 N GLU B 143 -5.083 1.103 -6.670 1.00 0.00 N ATOM 1960 CA GLU B 143 -5.339 2.386 -7.348 1.00 0.00 C ATOM 1961 C GLU B 143 -4.686 3.502 -6.593 1.00 0.00 C ATOM 1962 O GLU B 143 -4.234 4.453 -7.181 1.00 0.00 O ATOM 1963 CB GLU B 143 -6.848 2.678 -7.500 1.00 0.00 C ATOM 1964 CG GLU B 143 -7.650 1.652 -8.300 1.00 0.00 C ATOM 1965 CD GLU B 143 -7.629 0.328 -7.678 1.00 0.00 C ATOM 1966 OE1 GLU B 143 -7.838 0.279 -6.485 1.00 0.00 O ATOM 1967 OE2 GLU B 143 -7.356 -0.672 -8.367 1.00 0.00 O ATOM 0 H GLU B 143 -5.901 0.702 -6.211 1.00 0.00 H new ATOM 0 HA GLU B 143 -4.914 2.312 -8.349 1.00 0.00 H new ATOM 0 HB2 GLU B 143 -7.285 2.756 -6.505 1.00 0.00 H new ATOM 0 HB3 GLU B 143 -6.964 3.652 -7.976 1.00 0.00 H new ATOM 0 HG2 GLU B 143 -8.682 1.992 -8.393 1.00 0.00 H new ATOM 0 HG3 GLU B 143 -7.245 1.584 -9.310 1.00 0.00 H new ATOM 1974 N LEU B 144 -4.642 3.365 -5.285 1.00 0.00 N ATOM 1975 CA LEU B 144 -3.988 4.346 -4.417 1.00 0.00 C ATOM 1976 C LEU B 144 -2.538 4.520 -4.814 1.00 0.00 C ATOM 1977 O LEU B 144 -2.073 5.627 -5.065 1.00 0.00 O ATOM 1978 CB LEU B 144 -4.051 3.902 -2.953 1.00 0.00 C ATOM 1979 CG LEU B 144 -3.277 4.773 -1.960 1.00 0.00 C ATOM 1980 CD1 LEU B 144 -3.829 6.181 -1.919 1.00 0.00 C ATOM 1981 CD2 LEU B 144 -3.278 4.145 -0.589 1.00 0.00 C ATOM 0 H LEU B 144 -5.054 2.577 -4.786 1.00 0.00 H new ATOM 0 HA LEU B 144 -4.515 5.293 -4.530 1.00 0.00 H new ATOM 0 HB2 LEU B 144 -5.096 3.875 -2.646 1.00 0.00 H new ATOM 0 HB3 LEU B 144 -3.672 2.882 -2.885 1.00 0.00 H new ATOM 0 HG LEU B 144 -2.244 4.838 -2.301 1.00 0.00 H new ATOM 0 HD11 LEU B 144 -3.259 6.775 -1.205 1.00 0.00 H new ATOM 0 HD12 LEU B 144 -3.752 6.631 -2.909 1.00 0.00 H new ATOM 0 HD13 LEU B 144 -4.875 6.153 -1.614 1.00 0.00 H new ATOM 0 HD21 LEU B 144 -2.723 4.779 0.102 1.00 0.00 H new ATOM 0 HD22 LEU B 144 -4.305 4.038 -0.239 1.00 0.00 H new ATOM 0 HD23 LEU B 144 -2.807 3.163 -0.638 1.00 0.00 H new ATOM 1993 N ALA B 145 -1.851 3.411 -4.915 1.00 0.00 N ATOM 1994 CA ALA B 145 -0.468 3.403 -5.235 1.00 0.00 C ATOM 1995 C ALA B 145 -0.242 3.619 -6.725 1.00 0.00 C ATOM 1996 O ALA B 145 0.890 3.854 -7.180 1.00 0.00 O ATOM 1997 CB ALA B 145 0.162 2.128 -4.742 1.00 0.00 C ATOM 0 H ALA B 145 -2.251 2.484 -4.774 1.00 0.00 H new ATOM 0 HA ALA B 145 0.017 4.237 -4.728 1.00 0.00 H new ATOM 0 HB1 ALA B 145 1.223 2.127 -4.990 1.00 0.00 H new ATOM 0 HB2 ALA B 145 0.042 2.057 -3.661 1.00 0.00 H new ATOM 0 HB3 ALA B 145 -0.323 1.275 -5.217 1.00 0.00 H new ATOM 2003 N ALA B 146 -1.314 3.517 -7.486 1.00 0.00 N ATOM 2004 CA ALA B 146 -1.260 3.743 -8.913 1.00 0.00 C ATOM 2005 C ALA B 146 -1.428 5.209 -9.221 1.00 0.00 C ATOM 2006 O ALA B 146 -1.044 5.672 -10.295 1.00 0.00 O ATOM 2007 CB ALA B 146 -2.315 2.929 -9.646 1.00 0.00 C ATOM 0 H ALA B 146 -2.240 3.277 -7.133 1.00 0.00 H new ATOM 0 HA ALA B 146 -0.281 3.416 -9.263 1.00 0.00 H new ATOM 0 HB1 ALA B 146 -2.246 3.123 -10.716 1.00 0.00 H new ATOM 0 HB2 ALA B 146 -2.151 1.868 -9.458 1.00 0.00 H new ATOM 0 HB3 ALA B 146 -3.305 3.212 -9.289 1.00 0.00 H new ATOM 2013 N LEU B 147 -2.016 5.941 -8.293 1.00 0.00 N ATOM 2014 CA LEU B 147 -2.230 7.348 -8.486 1.00 0.00 C ATOM 2015 C LEU B 147 -0.941 8.161 -8.481 1.00 0.00 C ATOM 2016 O LEU B 147 0.134 7.695 -8.072 1.00 0.00 O ATOM 2017 CB LEU B 147 -3.182 7.927 -7.459 1.00 0.00 C ATOM 2018 CG LEU B 147 -4.602 7.413 -7.484 1.00 0.00 C ATOM 2019 CD1 LEU B 147 -5.401 8.105 -6.410 1.00 0.00 C ATOM 2020 CD2 LEU B 147 -5.250 7.620 -8.851 1.00 0.00 C ATOM 0 H LEU B 147 -2.351 5.577 -7.401 1.00 0.00 H new ATOM 0 HA LEU B 147 -2.676 7.426 -9.478 1.00 0.00 H new ATOM 0 HB2 LEU B 147 -2.769 7.738 -6.468 1.00 0.00 H new ATOM 0 HB3 LEU B 147 -3.209 9.008 -7.592 1.00 0.00 H new ATOM 0 HG LEU B 147 -4.585 6.340 -7.294 1.00 0.00 H new ATOM 0 HD11 LEU B 147 -6.427 7.736 -6.425 1.00 0.00 H new ATOM 0 HD12 LEU B 147 -4.956 7.900 -5.436 1.00 0.00 H new ATOM 0 HD13 LEU B 147 -5.399 9.180 -6.591 1.00 0.00 H new ATOM 0 HD21 LEU B 147 -6.271 7.238 -8.831 1.00 0.00 H new ATOM 0 HD22 LEU B 147 -5.265 8.684 -9.089 1.00 0.00 H new ATOM 0 HD23 LEU B 147 -4.678 7.086 -9.610 1.00 0.00 H new ATOM 2032 N SER B 148 -1.073 9.370 -8.930 1.00 0.00 N ATOM 2033 CA SER B 148 -0.002 10.309 -8.983 1.00 0.00 C ATOM 2034 C SER B 148 -0.188 11.311 -7.844 1.00 0.00 C ATOM 2035 O SER B 148 -1.281 11.380 -7.252 1.00 0.00 O ATOM 2036 CB SER B 148 -0.077 11.003 -10.329 1.00 0.00 C ATOM 2037 OG SER B 148 -0.157 10.032 -11.373 1.00 0.00 O ATOM 0 H SER B 148 -1.957 9.740 -9.280 1.00 0.00 H new ATOM 0 HA SER B 148 0.971 9.830 -8.872 1.00 0.00 H new ATOM 0 HB2 SER B 148 -0.948 11.658 -10.362 1.00 0.00 H new ATOM 0 HB3 SER B 148 0.801 11.633 -10.473 1.00 0.00 H new ATOM 0 HG SER B 148 -0.207 10.487 -12.240 1.00 0.00 H new ATOM 2043 N GLN B 149 0.834 12.105 -7.548 1.00 0.00 N ATOM 2044 CA GLN B 149 0.754 13.061 -6.454 1.00 0.00 C ATOM 2045 C GLN B 149 -0.278 14.147 -6.775 1.00 0.00 C ATOM 2046 O GLN B 149 -0.929 14.692 -5.877 1.00 0.00 O ATOM 2047 CB GLN B 149 2.123 13.674 -6.172 1.00 0.00 C ATOM 2048 CG GLN B 149 2.156 14.548 -4.939 1.00 0.00 C ATOM 2049 CD GLN B 149 3.484 15.240 -4.743 1.00 0.00 C ATOM 2050 OE1 GLN B 149 4.546 14.716 -5.109 1.00 0.00 O ATOM 2051 NE2 GLN B 149 3.444 16.422 -4.204 1.00 0.00 N ATOM 0 H GLN B 149 1.723 12.105 -8.048 1.00 0.00 H new ATOM 0 HA GLN B 149 0.432 12.536 -5.555 1.00 0.00 H new ATOM 0 HB2 GLN B 149 2.853 12.873 -6.058 1.00 0.00 H new ATOM 0 HB3 GLN B 149 2.431 14.266 -7.034 1.00 0.00 H new ATOM 0 HG2 GLN B 149 1.368 15.298 -5.011 1.00 0.00 H new ATOM 0 HG3 GLN B 149 1.937 13.939 -4.062 1.00 0.00 H new ATOM 0 HE21 GLN B 149 2.551 16.821 -3.915 1.00 0.00 H new ATOM 0 HE22 GLN B 149 4.306 16.951 -4.070 1.00 0.00 H new ATOM 2060 N ASP B 150 -0.458 14.412 -8.065 1.00 0.00 N ATOM 2061 CA ASP B 150 -1.452 15.395 -8.530 1.00 0.00 C ATOM 2062 C ASP B 150 -2.840 14.962 -8.133 1.00 0.00 C ATOM 2063 O ASP B 150 -3.653 15.771 -7.690 1.00 0.00 O ATOM 2064 CB ASP B 150 -1.415 15.596 -10.054 1.00 0.00 C ATOM 2065 CG ASP B 150 -0.130 16.188 -10.554 1.00 0.00 C ATOM 2066 OD1 ASP B 150 0.217 17.311 -10.155 1.00 0.00 O ATOM 2067 OD2 ASP B 150 0.586 15.525 -11.332 1.00 0.00 O ATOM 0 H ASP B 150 0.069 13.963 -8.814 1.00 0.00 H new ATOM 0 HA ASP B 150 -1.196 16.343 -8.056 1.00 0.00 H new ATOM 0 HB2 ASP B 150 -1.576 14.635 -10.542 1.00 0.00 H new ATOM 0 HB3 ASP B 150 -2.241 16.244 -10.346 1.00 0.00 H new ATOM 2072 N GLU B 151 -3.083 13.661 -8.232 1.00 0.00 N ATOM 2073 CA GLU B 151 -4.377 13.091 -7.917 1.00 0.00 C ATOM 2074 C GLU B 151 -4.628 13.226 -6.440 1.00 0.00 C ATOM 2075 O GLU B 151 -5.718 13.579 -6.017 1.00 0.00 O ATOM 2076 CB GLU B 151 -4.444 11.614 -8.315 1.00 0.00 C ATOM 2077 CG GLU B 151 -4.051 11.334 -9.755 1.00 0.00 C ATOM 2078 CD GLU B 151 -4.842 12.139 -10.749 1.00 0.00 C ATOM 2079 OE1 GLU B 151 -5.914 11.702 -11.179 1.00 0.00 O ATOM 2080 OE2 GLU B 151 -4.384 13.219 -11.139 1.00 0.00 O ATOM 0 H GLU B 151 -2.388 12.977 -8.532 1.00 0.00 H new ATOM 0 HA GLU B 151 -5.139 13.629 -8.481 1.00 0.00 H new ATOM 0 HB2 GLU B 151 -3.791 11.043 -7.655 1.00 0.00 H new ATOM 0 HB3 GLU B 151 -5.459 11.252 -8.151 1.00 0.00 H new ATOM 0 HG2 GLU B 151 -2.990 11.549 -9.884 1.00 0.00 H new ATOM 0 HG3 GLU B 151 -4.189 10.273 -9.963 1.00 0.00 H new ATOM 2087 N LEU B 152 -3.595 12.988 -5.659 1.00 0.00 N ATOM 2088 CA LEU B 152 -3.689 13.105 -4.226 1.00 0.00 C ATOM 2089 C LEU B 152 -3.954 14.554 -3.839 1.00 0.00 C ATOM 2090 O LEU B 152 -4.792 14.823 -3.010 1.00 0.00 O ATOM 2091 CB LEU B 152 -2.424 12.581 -3.543 1.00 0.00 C ATOM 2092 CG LEU B 152 -2.043 11.128 -3.836 1.00 0.00 C ATOM 2093 CD1 LEU B 152 -0.786 10.747 -3.083 1.00 0.00 C ATOM 2094 CD2 LEU B 152 -3.184 10.172 -3.506 1.00 0.00 C ATOM 0 H LEU B 152 -2.675 12.710 -6.000 1.00 0.00 H new ATOM 0 HA LEU B 152 -4.523 12.492 -3.884 1.00 0.00 H new ATOM 0 HB2 LEU B 152 -1.589 13.218 -3.835 1.00 0.00 H new ATOM 0 HB3 LEU B 152 -2.547 12.691 -2.466 1.00 0.00 H new ATOM 0 HG LEU B 152 -1.846 11.044 -4.905 1.00 0.00 H new ATOM 0 HD11 LEU B 152 -0.530 9.711 -3.303 1.00 0.00 H new ATOM 0 HD12 LEU B 152 0.033 11.397 -3.391 1.00 0.00 H new ATOM 0 HD13 LEU B 152 -0.955 10.859 -2.012 1.00 0.00 H new ATOM 0 HD21 LEU B 152 -2.877 9.150 -3.727 1.00 0.00 H new ATOM 0 HD22 LEU B 152 -3.434 10.256 -2.448 1.00 0.00 H new ATOM 0 HD23 LEU B 152 -4.057 10.427 -4.107 1.00 0.00 H new ATOM 2106 N THR B 153 -3.281 15.485 -4.485 1.00 0.00 N ATOM 2107 CA THR B 153 -3.492 16.900 -4.209 1.00 0.00 C ATOM 2108 C THR B 153 -4.927 17.306 -4.585 1.00 0.00 C ATOM 2109 O THR B 153 -5.508 18.195 -3.984 1.00 0.00 O ATOM 2110 CB THR B 153 -2.475 17.796 -4.936 1.00 0.00 C ATOM 2111 OG1 THR B 153 -1.157 17.240 -4.777 1.00 0.00 O ATOM 2112 CG2 THR B 153 -2.475 19.188 -4.311 1.00 0.00 C ATOM 0 H THR B 153 -2.584 15.292 -5.204 1.00 0.00 H new ATOM 0 HA THR B 153 -3.342 17.047 -3.139 1.00 0.00 H new ATOM 0 HB THR B 153 -2.745 17.856 -5.990 1.00 0.00 H new ATOM 0 HG1 THR B 153 -1.081 16.422 -5.311 1.00 0.00 H new ATOM 0 HG21 THR B 153 -1.753 19.819 -4.829 1.00 0.00 H new ATOM 0 HG22 THR B 153 -3.469 19.626 -4.399 1.00 0.00 H new ATOM 0 HG23 THR B 153 -2.203 19.114 -3.258 1.00 0.00 H new ATOM 2120 N SER B 154 -5.474 16.647 -5.570 1.00 0.00 N ATOM 2121 CA SER B 154 -6.826 16.896 -6.002 1.00 0.00 C ATOM 2122 C SER B 154 -7.818 16.360 -4.947 1.00 0.00 C ATOM 2123 O SER B 154 -8.699 17.081 -4.470 1.00 0.00 O ATOM 2124 CB SER B 154 -7.053 16.213 -7.358 1.00 0.00 C ATOM 2125 OG SER B 154 -8.340 16.469 -7.882 1.00 0.00 O ATOM 0 H SER B 154 -4.994 15.919 -6.099 1.00 0.00 H new ATOM 0 HA SER B 154 -6.990 17.968 -6.113 1.00 0.00 H new ATOM 0 HB2 SER B 154 -6.300 16.559 -8.066 1.00 0.00 H new ATOM 0 HB3 SER B 154 -6.916 15.137 -7.247 1.00 0.00 H new ATOM 0 HG SER B 154 -8.438 16.016 -8.745 1.00 0.00 H new ATOM 2131 N ILE B 155 -7.628 15.114 -4.559 1.00 0.00 N ATOM 2132 CA ILE B 155 -8.503 14.437 -3.616 1.00 0.00 C ATOM 2133 C ILE B 155 -8.363 15.000 -2.203 1.00 0.00 C ATOM 2134 O ILE B 155 -9.365 15.380 -1.568 1.00 0.00 O ATOM 2135 CB ILE B 155 -8.188 12.924 -3.587 1.00 0.00 C ATOM 2136 CG1 ILE B 155 -8.397 12.315 -4.978 1.00 0.00 C ATOM 2137 CG2 ILE B 155 -9.058 12.216 -2.551 1.00 0.00 C ATOM 2138 CD1 ILE B 155 -7.860 10.909 -5.122 1.00 0.00 C ATOM 0 H ILE B 155 -6.856 14.536 -4.891 1.00 0.00 H new ATOM 0 HA ILE B 155 -9.527 14.602 -3.953 1.00 0.00 H new ATOM 0 HB ILE B 155 -7.144 12.789 -3.303 1.00 0.00 H new ATOM 0 HG12 ILE B 155 -9.463 12.310 -5.205 1.00 0.00 H new ATOM 0 HG13 ILE B 155 -7.916 12.954 -5.719 1.00 0.00 H new ATOM 0 HG21 ILE B 155 -8.823 11.152 -2.544 1.00 0.00 H new ATOM 0 HG22 ILE B 155 -8.864 12.637 -1.564 1.00 0.00 H new ATOM 0 HG23 ILE B 155 -10.109 12.354 -2.804 1.00 0.00 H new ATOM 0 HD11 ILE B 155 -8.047 10.550 -6.134 1.00 0.00 H new ATOM 0 HD12 ILE B 155 -6.787 10.908 -4.929 1.00 0.00 H new ATOM 0 HD13 ILE B 155 -8.358 10.254 -4.407 1.00 0.00 H new ATOM 2150 N LEU B 156 -7.132 15.065 -1.725 1.00 0.00 N ATOM 2151 CA LEU B 156 -6.859 15.480 -0.371 1.00 0.00 C ATOM 2152 C LEU B 156 -7.016 16.975 -0.278 1.00 0.00 C ATOM 2153 O LEU B 156 -7.529 17.499 0.701 1.00 0.00 O ATOM 2154 CB LEU B 156 -5.430 15.076 0.075 1.00 0.00 C ATOM 2155 CG LEU B 156 -4.934 13.650 -0.291 1.00 0.00 C ATOM 2156 CD1 LEU B 156 -3.582 13.383 0.312 1.00 0.00 C ATOM 2157 CD2 LEU B 156 -5.914 12.564 0.110 1.00 0.00 C ATOM 0 H LEU B 156 -6.300 14.831 -2.267 1.00 0.00 H new ATOM 0 HA LEU B 156 -7.565 14.980 0.292 1.00 0.00 H new ATOM 0 HB2 LEU B 156 -4.730 15.794 -0.352 1.00 0.00 H new ATOM 0 HB3 LEU B 156 -5.374 15.182 1.158 1.00 0.00 H new ATOM 0 HG LEU B 156 -4.854 13.621 -1.378 1.00 0.00 H new ATOM 0 HD11 LEU B 156 -3.255 12.379 0.042 1.00 0.00 H new ATOM 0 HD12 LEU B 156 -2.865 14.112 -0.066 1.00 0.00 H new ATOM 0 HD13 LEU B 156 -3.645 13.465 1.397 1.00 0.00 H new ATOM 0 HD21 LEU B 156 -5.513 11.590 -0.171 1.00 0.00 H new ATOM 0 HD22 LEU B 156 -6.070 12.595 1.188 1.00 0.00 H new ATOM 0 HD23 LEU B 156 -6.864 12.726 -0.399 1.00 0.00 H new ATOM 2169 N GLY B 157 -6.575 17.644 -1.312 1.00 0.00 N ATOM 2170 CA GLY B 157 -6.683 19.075 -1.391 1.00 0.00 C ATOM 2171 C GLY B 157 -5.432 19.777 -0.949 1.00 0.00 C ATOM 2172 O GLY B 157 -5.204 20.935 -1.294 1.00 0.00 O ATOM 0 H GLY B 157 -6.131 17.211 -2.122 1.00 0.00 H new ATOM 0 HA2 GLY B 157 -6.912 19.362 -2.417 1.00 0.00 H new ATOM 0 HA3 GLY B 157 -7.518 19.407 -0.774 1.00 0.00 H new ATOM 2176 N ASN B 158 -4.580 19.068 -0.250 1.00 0.00 N ATOM 2177 CA ASN B 158 -3.396 19.682 0.302 1.00 0.00 C ATOM 2178 C ASN B 158 -2.189 18.980 -0.225 1.00 0.00 C ATOM 2179 O ASN B 158 -2.090 17.744 -0.118 1.00 0.00 O ATOM 2180 CB ASN B 158 -3.358 19.639 1.855 1.00 0.00 C ATOM 2181 CG ASN B 158 -4.659 19.263 2.514 1.00 0.00 C ATOM 2182 OD1 ASN B 158 -4.771 18.025 2.899 1.00 0.00 O flip ATOM 2183 ND2 ASN B 158 -5.526 20.097 2.737 1.00 0.00 N flip ATOM 0 H ASN B 158 -4.682 18.073 -0.050 1.00 0.00 H new ATOM 0 HA ASN B 158 -3.411 20.730 0.003 1.00 0.00 H new ATOM 0 HB2 ASN B 158 -2.592 18.928 2.165 1.00 0.00 H new ATOM 0 HB3 ASN B 158 -3.051 20.618 2.223 1.00 0.00 H new ATOM 0 HD21 ASN B 158 -5.403 21.058 2.419 1.00 0.00 H new ATOM 0 HD22 ASN B 158 -6.372 19.831 3.241 1.00 0.00 H new ATOM 2190 N ALA B 159 -1.258 19.745 -0.757 1.00 0.00 N ATOM 2191 CA ALA B 159 -0.035 19.201 -1.326 1.00 0.00 C ATOM 2192 C ALA B 159 0.829 18.591 -0.250 1.00 0.00 C ATOM 2193 O ALA B 159 1.617 17.700 -0.523 1.00 0.00 O ATOM 2194 CB ALA B 159 0.748 20.268 -2.061 1.00 0.00 C ATOM 0 H ALA B 159 -1.325 20.762 -0.809 1.00 0.00 H new ATOM 0 HA ALA B 159 -0.321 18.426 -2.037 1.00 0.00 H new ATOM 0 HB1 ALA B 159 1.657 19.832 -2.475 1.00 0.00 H new ATOM 0 HB2 ALA B 159 0.139 20.674 -2.869 1.00 0.00 H new ATOM 0 HB3 ALA B 159 1.012 21.067 -1.369 1.00 0.00 H new ATOM 2200 N ALA B 160 0.657 19.059 0.980 1.00 0.00 N ATOM 2201 CA ALA B 160 1.426 18.547 2.110 1.00 0.00 C ATOM 2202 C ALA B 160 1.077 17.104 2.346 1.00 0.00 C ATOM 2203 O ALA B 160 1.930 16.269 2.538 1.00 0.00 O ATOM 2204 CB ALA B 160 1.129 19.338 3.364 1.00 0.00 C ATOM 0 H ALA B 160 -0.009 19.793 1.222 1.00 0.00 H new ATOM 0 HA ALA B 160 2.486 18.642 1.875 1.00 0.00 H new ATOM 0 HB1 ALA B 160 1.713 18.939 4.193 1.00 0.00 H new ATOM 0 HB2 ALA B 160 1.392 20.384 3.205 1.00 0.00 H new ATOM 0 HB3 ALA B 160 0.067 19.263 3.599 1.00 0.00 H new ATOM 2210 N ASN B 161 -0.196 16.816 2.294 1.00 0.00 N ATOM 2211 CA ASN B 161 -0.676 15.466 2.506 1.00 0.00 C ATOM 2212 C ASN B 161 -0.322 14.608 1.323 1.00 0.00 C ATOM 2213 O ASN B 161 0.155 13.496 1.468 1.00 0.00 O ATOM 2214 CB ASN B 161 -2.189 15.442 2.712 1.00 0.00 C ATOM 2215 CG ASN B 161 -2.678 15.866 4.081 1.00 0.00 C ATOM 2216 OD1 ASN B 161 -3.720 15.436 4.513 1.00 0.00 O ATOM 2217 ND2 ASN B 161 -1.959 16.686 4.761 1.00 0.00 N ATOM 0 H ASN B 161 -0.929 17.500 2.105 1.00 0.00 H new ATOM 0 HA ASN B 161 -0.199 15.077 3.405 1.00 0.00 H new ATOM 0 HB2 ASN B 161 -2.648 16.092 1.967 1.00 0.00 H new ATOM 0 HB3 ASN B 161 -2.547 14.431 2.517 1.00 0.00 H new ATOM 0 HD21 ASN B 161 -2.265 16.987 5.686 1.00 0.00 H new ATOM 0 HD22 ASN B 161 -1.082 17.036 4.375 1.00 0.00 H new ATOM 2224 N ALA B 162 -0.496 15.184 0.151 1.00 0.00 N ATOM 2225 CA ALA B 162 -0.269 14.503 -1.103 1.00 0.00 C ATOM 2226 C ALA B 162 1.177 14.112 -1.264 1.00 0.00 C ATOM 2227 O ALA B 162 1.465 13.038 -1.747 1.00 0.00 O ATOM 2228 CB ALA B 162 -0.703 15.388 -2.245 1.00 0.00 C ATOM 0 H ALA B 162 -0.803 16.151 0.044 1.00 0.00 H new ATOM 0 HA ALA B 162 -0.860 13.587 -1.108 1.00 0.00 H new ATOM 0 HB1 ALA B 162 -0.531 14.873 -3.190 1.00 0.00 H new ATOM 0 HB2 ALA B 162 -1.764 15.618 -2.145 1.00 0.00 H new ATOM 0 HB3 ALA B 162 -0.128 16.314 -2.227 1.00 0.00 H new ATOM 2234 N LYS B 163 2.081 14.968 -0.822 1.00 0.00 N ATOM 2235 CA LYS B 163 3.480 14.711 -0.962 1.00 0.00 C ATOM 2236 C LYS B 163 3.902 13.656 0.021 1.00 0.00 C ATOM 2237 O LYS B 163 4.612 12.722 -0.338 1.00 0.00 O ATOM 2238 CB LYS B 163 4.297 15.998 -0.786 1.00 0.00 C ATOM 2239 CG LYS B 163 5.799 15.767 -0.810 1.00 0.00 C ATOM 2240 CD LYS B 163 6.578 17.046 -0.629 1.00 0.00 C ATOM 2241 CE LYS B 163 8.070 16.794 -0.768 1.00 0.00 C ATOM 2242 NZ LYS B 163 8.418 16.237 -2.093 1.00 0.00 N ATOM 0 H LYS B 163 1.856 15.850 -0.362 1.00 0.00 H new ATOM 0 HA LYS B 163 3.672 14.343 -1.970 1.00 0.00 H new ATOM 0 HB2 LYS B 163 4.032 16.699 -1.577 1.00 0.00 H new ATOM 0 HB3 LYS B 163 4.024 16.467 0.159 1.00 0.00 H new ATOM 0 HG2 LYS B 163 6.069 15.065 -0.021 1.00 0.00 H new ATOM 0 HG3 LYS B 163 6.078 15.305 -1.757 1.00 0.00 H new ATOM 0 HD2 LYS B 163 6.258 17.780 -1.369 1.00 0.00 H new ATOM 0 HD3 LYS B 163 6.366 17.470 0.353 1.00 0.00 H new ATOM 0 HE2 LYS B 163 8.611 17.728 -0.614 1.00 0.00 H new ATOM 0 HE3 LYS B 163 8.395 16.105 0.011 1.00 0.00 H new ATOM 0 HZ1 LYS B 163 9.429 16.392 -2.280 1.00 0.00 H new ATOM 0 HZ2 LYS B 163 8.217 15.217 -2.104 1.00 0.00 H new ATOM 0 HZ3 LYS B 163 7.853 16.710 -2.827 1.00 0.00 H new ATOM 2256 N GLN B 164 3.408 13.781 1.247 1.00 0.00 N ATOM 2257 CA GLN B 164 3.722 12.834 2.300 1.00 0.00 C ATOM 2258 C GLN B 164 3.267 11.437 1.933 1.00 0.00 C ATOM 2259 O GLN B 164 4.031 10.465 2.062 1.00 0.00 O ATOM 2260 CB GLN B 164 3.104 13.264 3.619 1.00 0.00 C ATOM 2261 CG GLN B 164 3.704 14.515 4.195 1.00 0.00 C ATOM 2262 CD GLN B 164 3.205 14.789 5.589 1.00 0.00 C ATOM 2263 OE1 GLN B 164 3.772 14.322 6.572 1.00 0.00 O ATOM 2264 NE2 GLN B 164 2.154 15.539 5.686 1.00 0.00 N ATOM 0 H GLN B 164 2.785 14.536 1.534 1.00 0.00 H new ATOM 0 HA GLN B 164 4.806 12.818 2.417 1.00 0.00 H new ATOM 0 HB2 GLN B 164 2.035 13.419 3.474 1.00 0.00 H new ATOM 0 HB3 GLN B 164 3.214 12.455 4.341 1.00 0.00 H new ATOM 0 HG2 GLN B 164 4.790 14.423 4.210 1.00 0.00 H new ATOM 0 HG3 GLN B 164 3.465 15.362 3.551 1.00 0.00 H new ATOM 0 HE21 GLN B 164 1.711 15.908 4.844 1.00 0.00 H new ATOM 0 HE22 GLN B 164 1.769 15.761 6.604 1.00 0.00 H new ATOM 2273 N LEU B 165 2.050 11.344 1.446 1.00 0.00 N ATOM 2274 CA LEU B 165 1.491 10.085 1.047 1.00 0.00 C ATOM 2275 C LEU B 165 2.213 9.535 -0.202 1.00 0.00 C ATOM 2276 O LEU B 165 2.652 8.383 -0.209 1.00 0.00 O ATOM 2277 CB LEU B 165 -0.047 10.209 0.856 1.00 0.00 C ATOM 2278 CG LEU B 165 -0.778 8.973 0.354 1.00 0.00 C ATOM 2279 CD1 LEU B 165 -0.511 7.798 1.272 1.00 0.00 C ATOM 2280 CD2 LEU B 165 -2.269 9.253 0.274 1.00 0.00 C ATOM 0 H LEU B 165 1.426 12.141 1.318 1.00 0.00 H new ATOM 0 HA LEU B 165 1.651 9.355 1.840 1.00 0.00 H new ATOM 0 HB2 LEU B 165 -0.486 10.499 1.811 1.00 0.00 H new ATOM 0 HB3 LEU B 165 -0.238 11.024 0.157 1.00 0.00 H new ATOM 0 HG LEU B 165 -0.412 8.724 -0.642 1.00 0.00 H new ATOM 0 HD11 LEU B 165 -1.040 6.920 0.902 1.00 0.00 H new ATOM 0 HD12 LEU B 165 0.559 7.593 1.299 1.00 0.00 H new ATOM 0 HD13 LEU B 165 -0.860 8.035 2.277 1.00 0.00 H new ATOM 0 HD21 LEU B 165 -2.787 8.364 -0.086 1.00 0.00 H new ATOM 0 HD22 LEU B 165 -2.643 9.516 1.263 1.00 0.00 H new ATOM 0 HD23 LEU B 165 -2.447 10.080 -0.413 1.00 0.00 H new ATOM 2292 N TYR B 166 2.399 10.379 -1.221 1.00 0.00 N ATOM 2293 CA TYR B 166 3.076 9.982 -2.466 1.00 0.00 C ATOM 2294 C TYR B 166 4.493 9.462 -2.205 1.00 0.00 C ATOM 2295 O TYR B 166 4.914 8.422 -2.784 1.00 0.00 O ATOM 2296 CB TYR B 166 3.104 11.172 -3.430 1.00 0.00 C ATOM 2297 CG TYR B 166 3.855 10.983 -4.726 1.00 0.00 C ATOM 2298 CD1 TYR B 166 3.275 10.338 -5.801 1.00 0.00 C ATOM 2299 CD2 TYR B 166 5.138 11.490 -4.880 1.00 0.00 C ATOM 2300 CE1 TYR B 166 3.954 10.196 -6.993 1.00 0.00 C ATOM 2301 CE2 TYR B 166 5.820 11.358 -6.065 1.00 0.00 C ATOM 2302 CZ TYR B 166 5.227 10.710 -7.118 1.00 0.00 C ATOM 2303 OH TYR B 166 5.904 10.577 -8.302 1.00 0.00 O ATOM 0 H TYR B 166 2.088 11.350 -1.210 1.00 0.00 H new ATOM 0 HA TYR B 166 2.516 9.162 -2.915 1.00 0.00 H new ATOM 0 HB2 TYR B 166 2.075 11.439 -3.670 1.00 0.00 H new ATOM 0 HB3 TYR B 166 3.540 12.023 -2.906 1.00 0.00 H new ATOM 0 HD1 TYR B 166 2.276 9.939 -5.707 1.00 0.00 H new ATOM 0 HD2 TYR B 166 5.609 11.998 -4.052 1.00 0.00 H new ATOM 0 HE1 TYR B 166 3.491 9.685 -7.824 1.00 0.00 H new ATOM 0 HE2 TYR B 166 6.816 11.762 -6.167 1.00 0.00 H new ATOM 0 HH TYR B 166 6.787 10.995 -8.223 1.00 0.00 H new ATOM 2313 N ASP B 167 5.207 10.157 -1.346 1.00 0.00 N ATOM 2314 CA ASP B 167 6.574 9.805 -0.997 1.00 0.00 C ATOM 2315 C ASP B 167 6.616 8.465 -0.297 1.00 0.00 C ATOM 2316 O ASP B 167 7.476 7.614 -0.599 1.00 0.00 O ATOM 2317 CB ASP B 167 7.193 10.881 -0.108 1.00 0.00 C ATOM 2318 CG ASP B 167 8.615 10.575 0.284 1.00 0.00 C ATOM 2319 OD1 ASP B 167 9.551 10.937 -0.466 1.00 0.00 O ATOM 2320 OD2 ASP B 167 8.841 10.003 1.364 1.00 0.00 O ATOM 0 H ASP B 167 4.858 10.986 -0.866 1.00 0.00 H new ATOM 0 HA ASP B 167 7.154 9.735 -1.918 1.00 0.00 H new ATOM 0 HB2 ASP B 167 7.164 11.837 -0.631 1.00 0.00 H new ATOM 0 HB3 ASP B 167 6.589 10.992 0.793 1.00 0.00 H new ATOM 2325 N PHE B 168 5.661 8.245 0.597 1.00 0.00 N ATOM 2326 CA PHE B 168 5.575 7.011 1.341 1.00 0.00 C ATOM 2327 C PHE B 168 5.254 5.836 0.422 1.00 0.00 C ATOM 2328 O PHE B 168 5.718 4.741 0.644 1.00 0.00 O ATOM 2329 CB PHE B 168 4.545 7.129 2.455 1.00 0.00 C ATOM 2330 CG PHE B 168 4.521 5.940 3.378 1.00 0.00 C ATOM 2331 CD1 PHE B 168 5.639 5.624 4.142 1.00 0.00 C ATOM 2332 CD2 PHE B 168 3.401 5.135 3.476 1.00 0.00 C ATOM 2333 CE1 PHE B 168 5.634 4.532 4.984 1.00 0.00 C ATOM 2334 CE2 PHE B 168 3.393 4.042 4.317 1.00 0.00 C ATOM 2335 CZ PHE B 168 4.511 3.740 5.072 1.00 0.00 C ATOM 0 H PHE B 168 4.929 8.920 0.821 1.00 0.00 H new ATOM 0 HA PHE B 168 6.548 6.820 1.794 1.00 0.00 H new ATOM 0 HB2 PHE B 168 4.752 8.027 3.037 1.00 0.00 H new ATOM 0 HB3 PHE B 168 3.557 7.256 2.013 1.00 0.00 H new ATOM 0 HD1 PHE B 168 6.522 6.242 4.075 1.00 0.00 H new ATOM 0 HD2 PHE B 168 2.524 5.364 2.888 1.00 0.00 H new ATOM 0 HE1 PHE B 168 6.509 4.298 5.573 1.00 0.00 H new ATOM 0 HE2 PHE B 168 2.512 3.421 4.386 1.00 0.00 H new ATOM 0 HZ PHE B 168 4.504 2.884 5.730 1.00 0.00 H new ATOM 2345 N ILE B 169 4.476 6.093 -0.611 1.00 0.00 N ATOM 2346 CA ILE B 169 4.111 5.088 -1.617 1.00 0.00 C ATOM 2347 C ILE B 169 5.326 4.683 -2.484 1.00 0.00 C ATOM 2348 O ILE B 169 5.442 3.526 -2.951 1.00 0.00 O ATOM 2349 CB ILE B 169 2.982 5.637 -2.547 1.00 0.00 C ATOM 2350 CG1 ILE B 169 1.704 5.896 -1.755 1.00 0.00 C ATOM 2351 CG2 ILE B 169 2.698 4.692 -3.708 1.00 0.00 C ATOM 2352 CD1 ILE B 169 0.636 6.585 -2.567 1.00 0.00 C ATOM 0 H ILE B 169 4.070 7.012 -0.786 1.00 0.00 H new ATOM 0 HA ILE B 169 3.756 4.207 -1.082 1.00 0.00 H new ATOM 0 HB ILE B 169 3.337 6.581 -2.962 1.00 0.00 H new ATOM 0 HG12 ILE B 169 1.315 4.948 -1.384 1.00 0.00 H new ATOM 0 HG13 ILE B 169 1.941 6.507 -0.884 1.00 0.00 H new ATOM 0 HG21 ILE B 169 1.907 5.109 -4.332 1.00 0.00 H new ATOM 0 HG22 ILE B 169 3.602 4.566 -4.304 1.00 0.00 H new ATOM 0 HG23 ILE B 169 2.382 3.724 -3.320 1.00 0.00 H new ATOM 0 HD11 ILE B 169 -0.248 6.741 -1.948 1.00 0.00 H new ATOM 0 HD12 ILE B 169 1.009 7.548 -2.917 1.00 0.00 H new ATOM 0 HD13 ILE B 169 0.374 5.965 -3.424 1.00 0.00 H new ATOM 2364 N HIS B 170 6.220 5.621 -2.703 1.00 0.00 N ATOM 2365 CA HIS B 170 7.336 5.385 -3.633 1.00 0.00 C ATOM 2366 C HIS B 170 8.686 5.013 -3.017 1.00 0.00 C ATOM 2367 O HIS B 170 9.424 4.252 -3.637 1.00 0.00 O ATOM 2368 CB HIS B 170 7.469 6.518 -4.632 1.00 0.00 C ATOM 2369 CG HIS B 170 6.320 6.563 -5.576 1.00 0.00 C ATOM 2370 ND1 HIS B 170 5.142 7.199 -5.285 1.00 0.00 N ATOM 2371 CD2 HIS B 170 6.137 5.975 -6.775 1.00 0.00 C ATOM 2372 CE1 HIS B 170 4.285 6.989 -6.260 1.00 0.00 C ATOM 2373 NE2 HIS B 170 4.863 6.254 -7.172 1.00 0.00 N ATOM 0 H HIS B 170 6.211 6.543 -2.266 1.00 0.00 H new ATOM 0 HA HIS B 170 7.044 4.471 -4.150 1.00 0.00 H new ATOM 0 HB2 HIS B 170 7.538 7.466 -4.099 1.00 0.00 H new ATOM 0 HB3 HIS B 170 8.396 6.400 -5.193 1.00 0.00 H new ATOM 0 HD1 HIS B 170 4.959 7.748 -4.445 1.00 0.00 H new ATOM 0 HD2 HIS B 170 6.864 5.391 -7.320 1.00 0.00 H new ATOM 0 HE1 HIS B 170 3.272 7.362 -6.300 1.00 0.00 H new ATOM 2382 N THR B 171 8.999 5.528 -1.834 1.00 0.00 N ATOM 2383 CA THR B 171 10.275 5.257 -1.157 1.00 0.00 C ATOM 2384 C THR B 171 10.495 3.770 -0.931 1.00 0.00 C ATOM 2385 O THR B 171 9.813 3.158 -0.133 1.00 0.00 O ATOM 2386 CB THR B 171 10.348 5.997 0.195 1.00 0.00 C ATOM 2387 OG1 THR B 171 10.332 7.413 -0.038 1.00 0.00 O ATOM 2388 CG2 THR B 171 11.601 5.614 0.997 1.00 0.00 C ATOM 0 H THR B 171 8.379 6.147 -1.311 1.00 0.00 H new ATOM 0 HA THR B 171 11.063 5.623 -1.815 1.00 0.00 H new ATOM 0 HB THR B 171 9.481 5.702 0.786 1.00 0.00 H new ATOM 0 HG1 THR B 171 9.423 7.696 -0.271 1.00 0.00 H new ATOM 0 HG21 THR B 171 11.610 6.159 1.941 1.00 0.00 H new ATOM 0 HG22 THR B 171 11.592 4.543 1.197 1.00 0.00 H new ATOM 0 HG23 THR B 171 12.492 5.868 0.423 1.00 0.00 H new ATOM 2396 N SER B 172 11.457 3.230 -1.629 1.00 0.00 N ATOM 2397 CA SER B 172 11.777 1.824 -1.564 1.00 0.00 C ATOM 2398 C SER B 172 12.152 1.409 -0.134 1.00 0.00 C ATOM 2399 O SER B 172 12.771 2.190 0.620 1.00 0.00 O ATOM 2400 CB SER B 172 12.902 1.479 -2.557 1.00 0.00 C ATOM 2401 OG SER B 172 13.170 0.086 -2.562 1.00 0.00 O ATOM 0 H SER B 172 12.050 3.759 -2.268 1.00 0.00 H new ATOM 0 HA SER B 172 10.889 1.259 -1.848 1.00 0.00 H new ATOM 0 HB2 SER B 172 12.618 1.801 -3.559 1.00 0.00 H new ATOM 0 HB3 SER B 172 13.807 2.025 -2.290 1.00 0.00 H new ATOM 0 HG SER B 172 12.325 -0.410 -2.562 1.00 0.00 H new ATOM 2407 N PHE B 173 11.791 0.180 0.228 1.00 0.00 N ATOM 2408 CA PHE B 173 12.032 -0.369 1.573 1.00 0.00 C ATOM 2409 C PHE B 173 13.525 -0.343 1.899 1.00 0.00 C ATOM 2410 O PHE B 173 13.922 -0.194 3.057 1.00 0.00 O ATOM 2411 CB PHE B 173 11.564 -1.832 1.664 1.00 0.00 C ATOM 2412 CG PHE B 173 10.204 -2.116 1.092 1.00 0.00 C ATOM 2413 CD1 PHE B 173 9.043 -1.793 1.779 1.00 0.00 C ATOM 2414 CD2 PHE B 173 10.096 -2.704 -0.156 1.00 0.00 C ATOM 2415 CE1 PHE B 173 7.812 -2.048 1.219 1.00 0.00 C ATOM 2416 CE2 PHE B 173 8.868 -2.960 -0.715 1.00 0.00 C ATOM 2417 CZ PHE B 173 7.724 -2.628 -0.030 1.00 0.00 C ATOM 0 H PHE B 173 11.321 -0.471 -0.401 1.00 0.00 H new ATOM 0 HA PHE B 173 11.473 0.247 2.277 1.00 0.00 H new ATOM 0 HB2 PHE B 173 12.292 -2.460 1.151 1.00 0.00 H new ATOM 0 HB3 PHE B 173 11.567 -2.131 2.712 1.00 0.00 H new ATOM 0 HD1 PHE B 173 9.105 -1.340 2.757 1.00 0.00 H new ATOM 0 HD2 PHE B 173 10.992 -2.966 -0.699 1.00 0.00 H new ATOM 0 HE1 PHE B 173 6.912 -1.793 1.759 1.00 0.00 H new ATOM 0 HE2 PHE B 173 8.802 -3.421 -1.690 1.00 0.00 H new ATOM 0 HZ PHE B 173 6.756 -2.821 -0.469 1.00 0.00 H new