USER MOD reduce.3.24.130724 H: found=0, std=0, add=912, rem=0, adj=34 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 127 ASN : amide:sc= -0.0593 X(o=-1.9,f=-1.8) USER MOD Set 1.2: B 130 ASN : amide:sc= -0.547 K(o=-1.9,f=-12!) USER MOD Set 1.3: B 161 ASN : amide:sc= -1.28 K(o=-1.9,f=-11!) USER MOD Set 2.1: B 117 GLN :FLIP amide:sc= -0.337 F(o=-5.5,f=-4.6) USER MOD Set 2.2: B 131 CYS SG : rot -160:sc= -0.485 USER MOD Set 2.3: B 135 MET CE :methyl -175:sc= -3.77! (180deg=-4.12!) USER MOD Set 3.1: A 72 SER OG : rot 107:sc= 0.431 USER MOD Set 3.2: B 139 LYS NZ :NH3+ 174:sc= 1.15 (180deg=-0.0381) USER MOD Set 4.1: A 27 ASN :FLIP amide:sc= 1.03 F(o=-4.7,f=-1) USER MOD Set 4.2: A 30 ASN :FLIP amide:sc= -1.83! C(o=-4.7!,f=-1!) USER MOD Set 4.3: A 58 ASN :FLIP amide:sc= -0.546 F(o=-4.2!,f=-1) USER MOD Set 4.4: A 61 ASN :FLIP amide:sc= 0.335 F(o=-2.2,f=-1) USER MOD Set 5.1: A 31 CYS SG : rot -150:sc= -0.197 USER MOD Set 5.2: A 35 MET CE :methyl -176:sc= -2.86! (180deg=-3.01!) USER MOD Single : A 17 GLN : amide:sc=-0.00784 K(o=-0.0078,f=-0.93) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc=0.000648 (180deg=0.000648) USER MOD Single : A 23 MET CE :methyl 155:sc= -0.542 (180deg=-1.89) USER MOD Single : A 29 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00662) USER MOD Single : A 33 SER OG : rot 85:sc= 0.0149 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 37 HIS :FLIP no HE2:sc= 0.25 F(o=-1.2,f=0.25) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -2.77! C(o=-2.8!,f=-6!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.456 X(o=-0.46,f=-0.82) USER MOD Single : A 53 THR OG1 : rot 68:sc= 1.16 USER MOD Single : A 54 SER OG : rot 83:sc= 1.25 USER MOD Single : A 63 LYS NZ :NH3+ 163:sc= -0.0978 (180deg=-0.425) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HE2:sc= 0.315 K(o=0.32,f=-1.9!) USER MOD Single : A 71 THR OG1 : rot 85:sc= 1.27 USER MOD Single : B 122 LYS NZ :NH3+ -175:sc= -1.16! (180deg=-1.55!) USER MOD Single : B 123 MET CE :methyl 157:sc= -0.3 (180deg=-1.32) USER MOD Single : B 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 133 SER OG : rot 86:sc= 0.0465 USER MOD Single : B 136 HIS : no HD1:sc= -0.0164 X(o=-0.016,f=0) USER MOD Single : B 137 HIS :FLIP no HE2:sc=-0.00409 F(o=-1,f=-0.0041) USER MOD Single : B 140 ASN : amide:sc= -3.22! C(o=-3.2!,f=-4.6!) USER MOD Single : B 148 SER OG : rot 180:sc= -0.0927 USER MOD Single : B 149 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : B 153 THR OG1 : rot 69:sc= 1.15 USER MOD Single : B 154 SER OG : rot 180:sc= 0 USER MOD Single : B 158 ASN :FLIP amide:sc= 0 F(o=-0.56,f=0) USER MOD Single : B 163 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 164 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 166 TYR OH : rot 180:sc= 0 USER MOD Single : B 170 HIS : no HE2:sc= 0.404 K(o=0.4,f=-1.6!) USER MOD Single : B 171 THR OG1 : rot 73:sc= 1.26 USER MOD Single : B 172 SER OG : rot 180:sc= -0.933 USER MOD ----------------------------------------------------------------- ATOM 217 N GLY A 15 9.309 2.618 8.633 1.00 0.00 N ATOM 218 CA GLY A 15 8.119 3.082 7.925 1.00 0.00 C ATOM 219 C GLY A 15 7.629 2.131 6.839 1.00 0.00 C ATOM 220 O GLY A 15 6.575 1.505 7.002 1.00 0.00 O ATOM 0 HA2 GLY A 15 7.317 3.236 8.647 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.332 4.051 7.475 1.00 0.00 H new ATOM 224 N PRO A 16 8.364 1.992 5.733 1.00 0.00 N ATOM 225 CA PRO A 16 7.967 1.111 4.638 1.00 0.00 C ATOM 226 C PRO A 16 8.155 -0.405 4.976 1.00 0.00 C ATOM 227 O PRO A 16 7.336 -1.255 4.573 1.00 0.00 O ATOM 228 CB PRO A 16 8.879 1.593 3.488 1.00 0.00 C ATOM 229 CG PRO A 16 10.110 2.049 4.176 1.00 0.00 C ATOM 230 CD PRO A 16 9.634 2.706 5.437 1.00 0.00 C ATOM 0 HA PRO A 16 6.905 1.169 4.399 1.00 0.00 H new ATOM 0 HB2 PRO A 16 9.090 0.790 2.782 1.00 0.00 H new ATOM 0 HB3 PRO A 16 8.415 2.401 2.922 1.00 0.00 H new ATOM 0 HG2 PRO A 16 10.773 1.211 4.394 1.00 0.00 H new ATOM 0 HG3 PRO A 16 10.672 2.747 3.556 1.00 0.00 H new ATOM 0 HD2 PRO A 16 10.356 2.596 6.246 1.00 0.00 H new ATOM 0 HD3 PRO A 16 9.472 3.775 5.298 1.00 0.00 H new ATOM 238 N GLN A 17 9.189 -0.724 5.755 1.00 0.00 N ATOM 239 CA GLN A 17 9.500 -2.113 6.139 1.00 0.00 C ATOM 240 C GLN A 17 8.356 -2.718 6.967 1.00 0.00 C ATOM 241 O GLN A 17 7.786 -3.770 6.622 1.00 0.00 O ATOM 242 CB GLN A 17 10.797 -2.136 6.945 1.00 0.00 C ATOM 243 CG GLN A 17 11.173 -3.510 7.492 1.00 0.00 C ATOM 244 CD GLN A 17 12.347 -3.459 8.449 1.00 0.00 C ATOM 245 OE1 GLN A 17 12.564 -2.465 9.134 1.00 0.00 O ATOM 246 NE2 GLN A 17 13.095 -4.527 8.519 1.00 0.00 N ATOM 0 H GLN A 17 9.835 -0.035 6.139 1.00 0.00 H new ATOM 0 HA GLN A 17 9.619 -2.711 5.235 1.00 0.00 H new ATOM 0 HB2 GLN A 17 11.609 -1.774 6.314 1.00 0.00 H new ATOM 0 HB3 GLN A 17 10.706 -1.439 7.778 1.00 0.00 H new ATOM 0 HG2 GLN A 17 10.312 -3.941 8.003 1.00 0.00 H new ATOM 0 HG3 GLN A 17 11.415 -4.173 6.661 1.00 0.00 H new ATOM 0 HE21 GLN A 17 12.885 -5.336 7.934 1.00 0.00 H new ATOM 0 HE22 GLN A 17 13.889 -4.552 9.159 1.00 0.00 H new ATOM 255 N ASP A 18 8.003 -2.023 8.027 1.00 0.00 N ATOM 256 CA ASP A 18 6.922 -2.423 8.921 1.00 0.00 C ATOM 257 C ASP A 18 5.604 -2.385 8.188 1.00 0.00 C ATOM 258 O ASP A 18 4.682 -3.135 8.510 1.00 0.00 O ATOM 259 CB ASP A 18 6.895 -1.544 10.180 1.00 0.00 C ATOM 260 CG ASP A 18 5.708 -1.775 11.080 1.00 0.00 C ATOM 261 OD1 ASP A 18 5.714 -2.734 11.870 1.00 0.00 O ATOM 262 OD2 ASP A 18 4.761 -0.952 11.047 1.00 0.00 O ATOM 0 H ASP A 18 8.460 -1.153 8.301 1.00 0.00 H new ATOM 0 HA ASP A 18 7.098 -3.447 9.249 1.00 0.00 H new ATOM 0 HB2 ASP A 18 7.807 -1.721 10.750 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.906 -0.497 9.877 1.00 0.00 H new ATOM 267 N PHE A 19 5.526 -1.514 7.175 1.00 0.00 N ATOM 268 CA PHE A 19 4.311 -1.353 6.402 1.00 0.00 C ATOM 269 C PHE A 19 3.973 -2.655 5.699 1.00 0.00 C ATOM 270 O PHE A 19 2.817 -2.995 5.540 1.00 0.00 O ATOM 271 CB PHE A 19 4.458 -0.229 5.391 1.00 0.00 C ATOM 272 CG PHE A 19 3.155 0.280 4.889 1.00 0.00 C ATOM 273 CD1 PHE A 19 2.316 0.956 5.752 1.00 0.00 C ATOM 274 CD2 PHE A 19 2.770 0.114 3.570 1.00 0.00 C ATOM 275 CE1 PHE A 19 1.115 1.460 5.327 1.00 0.00 C ATOM 276 CE2 PHE A 19 1.559 0.616 3.140 1.00 0.00 C ATOM 277 CZ PHE A 19 0.736 1.293 4.022 1.00 0.00 C ATOM 0 H PHE A 19 6.296 -0.914 6.879 1.00 0.00 H new ATOM 0 HA PHE A 19 3.499 -1.092 7.081 1.00 0.00 H new ATOM 0 HB2 PHE A 19 5.010 0.592 5.848 1.00 0.00 H new ATOM 0 HB3 PHE A 19 5.052 -0.582 4.548 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.612 1.090 6.782 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.416 -0.407 2.879 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.471 1.986 6.017 1.00 0.00 H new ATOM 0 HE2 PHE A 19 1.253 0.480 2.113 1.00 0.00 H new ATOM 0 HZ PHE A 19 -0.208 1.691 3.680 1.00 0.00 H new ATOM 287 N LEU A 20 4.997 -3.373 5.295 1.00 0.00 N ATOM 288 CA LEU A 20 4.820 -4.684 4.711 1.00 0.00 C ATOM 289 C LEU A 20 4.396 -5.682 5.756 1.00 0.00 C ATOM 290 O LEU A 20 3.413 -6.366 5.595 1.00 0.00 O ATOM 291 CB LEU A 20 6.102 -5.179 4.082 1.00 0.00 C ATOM 292 CG LEU A 20 6.629 -4.397 2.916 1.00 0.00 C ATOM 293 CD1 LEU A 20 7.937 -4.999 2.450 1.00 0.00 C ATOM 294 CD2 LEU A 20 5.609 -4.376 1.792 1.00 0.00 C ATOM 0 H LEU A 20 5.968 -3.068 5.361 1.00 0.00 H new ATOM 0 HA LEU A 20 4.048 -4.590 3.947 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.872 -5.200 4.853 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.946 -6.208 3.758 1.00 0.00 H new ATOM 0 HG LEU A 20 6.810 -3.367 3.224 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.318 -4.429 1.603 1.00 0.00 H new ATOM 0 HD12 LEU A 20 8.662 -4.968 3.263 1.00 0.00 H new ATOM 0 HD13 LEU A 20 7.774 -6.034 2.148 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.005 -3.805 0.952 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.400 -5.397 1.471 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.688 -3.911 2.145 1.00 0.00 H new ATOM 306 N LEU A 21 5.135 -5.730 6.846 1.00 0.00 N ATOM 307 CA LEU A 21 4.928 -6.732 7.911 1.00 0.00 C ATOM 308 C LEU A 21 3.516 -6.718 8.521 1.00 0.00 C ATOM 309 O LEU A 21 3.075 -7.716 9.115 1.00 0.00 O ATOM 310 CB LEU A 21 5.969 -6.557 9.006 1.00 0.00 C ATOM 311 CG LEU A 21 7.425 -6.721 8.579 1.00 0.00 C ATOM 312 CD1 LEU A 21 8.358 -6.363 9.719 1.00 0.00 C ATOM 313 CD2 LEU A 21 7.683 -8.147 8.138 1.00 0.00 C ATOM 0 H LEU A 21 5.900 -5.082 7.033 1.00 0.00 H new ATOM 0 HA LEU A 21 5.041 -7.705 7.432 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.848 -5.564 9.439 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.760 -7.277 9.797 1.00 0.00 H new ATOM 0 HG LEU A 21 7.615 -6.047 7.744 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.392 -6.486 9.396 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.191 -5.327 10.014 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.163 -7.018 10.568 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.725 -8.251 7.836 1.00 0.00 H new ATOM 0 HD22 LEU A 21 7.475 -8.827 8.964 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.035 -8.390 7.296 1.00 0.00 H new ATOM 325 N LYS A 22 2.808 -5.626 8.359 1.00 0.00 N ATOM 326 CA LYS A 22 1.480 -5.501 8.914 1.00 0.00 C ATOM 327 C LYS A 22 0.424 -5.935 7.916 1.00 0.00 C ATOM 328 O LYS A 22 -0.770 -6.037 8.252 1.00 0.00 O ATOM 329 CB LYS A 22 1.233 -4.083 9.329 1.00 0.00 C ATOM 330 CG LYS A 22 1.221 -3.116 8.187 1.00 0.00 C ATOM 331 CD LYS A 22 0.973 -1.736 8.668 1.00 0.00 C ATOM 332 CE LYS A 22 2.156 -1.245 9.508 1.00 0.00 C ATOM 333 NZ LYS A 22 2.033 0.151 9.962 1.00 0.00 N ATOM 0 H LYS A 22 3.131 -4.807 7.845 1.00 0.00 H new ATOM 0 HA LYS A 22 1.414 -6.154 9.784 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.278 -4.027 9.851 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.002 -3.782 10.040 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.174 -3.156 7.660 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.449 -3.401 7.472 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.820 -1.070 7.819 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.060 -1.710 9.263 1.00 0.00 H new ATOM 0 HE2 LYS A 22 2.262 -1.891 10.379 1.00 0.00 H new ATOM 0 HE3 LYS A 22 3.070 -1.346 8.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.870 0.409 10.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.962 0.780 9.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.180 0.252 10.548 1.00 0.00 H new ATOM 347 N MET A 23 0.851 -6.191 6.700 1.00 0.00 N ATOM 348 CA MET A 23 -0.056 -6.580 5.659 1.00 0.00 C ATOM 349 C MET A 23 -0.359 -8.073 5.811 1.00 0.00 C ATOM 350 O MET A 23 0.554 -8.863 6.120 1.00 0.00 O ATOM 351 CB MET A 23 0.549 -6.356 4.267 1.00 0.00 C ATOM 352 CG MET A 23 1.009 -4.947 3.950 1.00 0.00 C ATOM 353 SD MET A 23 1.626 -4.831 2.254 1.00 0.00 S ATOM 354 CE MET A 23 2.082 -3.110 2.138 1.00 0.00 C ATOM 0 H MET A 23 1.828 -6.135 6.413 1.00 0.00 H new ATOM 0 HA MET A 23 -0.957 -5.973 5.748 1.00 0.00 H new ATOM 0 HB2 MET A 23 1.400 -7.027 4.153 1.00 0.00 H new ATOM 0 HB3 MET A 23 -0.191 -6.650 3.522 1.00 0.00 H new ATOM 0 HG2 MET A 23 0.181 -4.251 4.088 1.00 0.00 H new ATOM 0 HG3 MET A 23 1.793 -4.652 4.647 1.00 0.00 H new ATOM 0 HE1 MET A 23 2.849 -2.988 1.373 1.00 0.00 H new ATOM 0 HE2 MET A 23 1.206 -2.519 1.872 1.00 0.00 H new ATOM 0 HE3 MET A 23 2.470 -2.771 3.098 1.00 0.00 H new ATOM 364 N PRO A 24 -1.612 -8.489 5.644 1.00 0.00 N ATOM 365 CA PRO A 24 -1.975 -9.903 5.714 1.00 0.00 C ATOM 366 C PRO A 24 -1.356 -10.680 4.555 1.00 0.00 C ATOM 367 O PRO A 24 -1.614 -10.385 3.394 1.00 0.00 O ATOM 368 CB PRO A 24 -3.502 -9.901 5.608 1.00 0.00 C ATOM 369 CG PRO A 24 -3.851 -8.596 4.993 1.00 0.00 C ATOM 370 CD PRO A 24 -2.771 -7.630 5.383 1.00 0.00 C ATOM 0 HA PRO A 24 -1.617 -10.381 6.626 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -3.855 -10.731 4.996 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -3.964 -10.010 6.589 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -3.917 -8.685 3.909 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -4.823 -8.251 5.344 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -2.567 -6.914 4.586 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -3.049 -7.054 6.266 1.00 0.00 H new ATOM 378 N GLY A 25 -0.524 -11.643 4.875 1.00 0.00 N ATOM 379 CA GLY A 25 0.151 -12.399 3.858 1.00 0.00 C ATOM 380 C GLY A 25 1.643 -12.168 3.930 1.00 0.00 C ATOM 381 O GLY A 25 2.426 -12.820 3.252 1.00 0.00 O ATOM 0 H GLY A 25 -0.301 -11.918 5.832 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.065 -13.460 3.982 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.221 -12.110 2.875 1.00 0.00 H new ATOM 385 N VAL A 26 2.037 -11.228 4.751 1.00 0.00 N ATOM 386 CA VAL A 26 3.424 -10.903 4.903 1.00 0.00 C ATOM 387 C VAL A 26 3.971 -11.388 6.244 1.00 0.00 C ATOM 388 O VAL A 26 3.340 -11.226 7.297 1.00 0.00 O ATOM 389 CB VAL A 26 3.677 -9.382 4.744 1.00 0.00 C ATOM 390 CG1 VAL A 26 5.147 -9.036 4.972 1.00 0.00 C ATOM 391 CG2 VAL A 26 3.238 -8.912 3.365 1.00 0.00 C ATOM 0 H VAL A 26 1.406 -10.672 5.328 1.00 0.00 H new ATOM 0 HA VAL A 26 3.956 -11.423 4.106 1.00 0.00 H new ATOM 0 HB VAL A 26 3.086 -8.866 5.501 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.291 -7.962 4.853 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.438 -9.332 5.980 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.763 -9.567 4.246 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.422 -7.842 3.270 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.803 -9.447 2.601 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.174 -9.110 3.235 1.00 0.00 H new ATOM 401 N ASN A 27 5.120 -12.013 6.178 1.00 0.00 N ATOM 402 CA ASN A 27 5.880 -12.440 7.332 1.00 0.00 C ATOM 403 C ASN A 27 7.247 -11.970 7.062 1.00 0.00 C ATOM 404 O ASN A 27 7.570 -11.773 5.901 1.00 0.00 O ATOM 405 CB ASN A 27 5.906 -13.958 7.501 1.00 0.00 C ATOM 406 CG ASN A 27 4.539 -14.582 7.525 1.00 0.00 C ATOM 407 OD1 ASN A 27 4.135 -15.102 6.404 1.00 0.00 O flip ATOM 408 ND2 ASN A 27 3.871 -14.638 8.566 1.00 0.00 N flip ATOM 0 H ASN A 27 5.569 -12.247 5.292 1.00 0.00 H new ATOM 0 HA ASN A 27 5.438 -12.043 8.246 1.00 0.00 H new ATOM 0 HB2 ASN A 27 6.483 -14.396 6.687 1.00 0.00 H new ATOM 0 HB3 ASN A 27 6.425 -14.204 8.427 1.00 0.00 H new ATOM 0 HD21 ASN A 27 4.227 -14.216 9.424 1.00 0.00 H new ATOM 0 HD22 ASN A 27 2.965 -15.106 8.566 1.00 0.00 H new ATOM 415 N ALA A 28 8.069 -11.839 8.075 1.00 0.00 N ATOM 416 CA ALA A 28 9.399 -11.246 7.927 1.00 0.00 C ATOM 417 C ALA A 28 10.260 -11.977 6.911 1.00 0.00 C ATOM 418 O ALA A 28 11.021 -11.351 6.173 1.00 0.00 O ATOM 419 CB ALA A 28 10.099 -11.122 9.270 1.00 0.00 C ATOM 0 H ALA A 28 7.847 -12.135 9.026 1.00 0.00 H new ATOM 0 HA ALA A 28 9.251 -10.241 7.532 1.00 0.00 H new ATOM 0 HB1 ALA A 28 11.084 -10.678 9.127 1.00 0.00 H new ATOM 0 HB2 ALA A 28 9.508 -10.488 9.931 1.00 0.00 H new ATOM 0 HB3 ALA A 28 10.207 -12.110 9.716 1.00 0.00 H new ATOM 425 N LYS A 29 10.050 -13.267 6.786 1.00 0.00 N ATOM 426 CA LYS A 29 10.859 -14.064 5.884 1.00 0.00 C ATOM 427 C LYS A 29 10.506 -13.755 4.426 1.00 0.00 C ATOM 428 O LYS A 29 11.371 -13.487 3.570 1.00 0.00 O ATOM 429 CB LYS A 29 10.722 -15.555 6.231 1.00 0.00 C ATOM 430 CG LYS A 29 9.298 -16.127 6.206 1.00 0.00 C ATOM 431 CD LYS A 29 9.295 -17.557 6.728 1.00 0.00 C ATOM 432 CE LYS A 29 7.912 -18.197 6.704 1.00 0.00 C ATOM 433 NZ LYS A 29 7.419 -18.442 5.338 1.00 0.00 N ATOM 0 H LYS A 29 9.333 -13.787 7.292 1.00 0.00 H new ATOM 0 HA LYS A 29 11.910 -13.802 6.009 1.00 0.00 H new ATOM 0 HB2 LYS A 29 11.334 -16.127 5.533 1.00 0.00 H new ATOM 0 HB3 LYS A 29 11.139 -15.715 7.225 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.639 -15.508 6.816 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.907 -16.103 5.189 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.978 -18.158 6.128 1.00 0.00 H new ATOM 0 HD3 LYS A 29 9.676 -17.566 7.749 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.944 -19.141 7.248 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.209 -17.550 7.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.491 -18.909 5.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.328 -17.537 4.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.090 -19.054 4.831 1.00 0.00 H new ATOM 447 N ASN A 30 9.247 -13.666 4.168 1.00 0.00 N ATOM 448 CA ASN A 30 8.808 -13.412 2.833 1.00 0.00 C ATOM 449 C ASN A 30 8.737 -11.922 2.559 1.00 0.00 C ATOM 450 O ASN A 30 8.600 -11.494 1.436 1.00 0.00 O ATOM 451 CB ASN A 30 7.525 -14.203 2.483 1.00 0.00 C ATOM 452 CG ASN A 30 6.352 -14.045 3.461 1.00 0.00 C ATOM 453 OD1 ASN A 30 5.420 -13.169 3.170 1.00 0.00 O flip ATOM 454 ND2 ASN A 30 6.285 -14.744 4.467 1.00 0.00 N flip ATOM 0 H ASN A 30 8.503 -13.764 4.859 1.00 0.00 H new ATOM 0 HA ASN A 30 9.555 -13.798 2.139 1.00 0.00 H new ATOM 0 HB2 ASN A 30 7.191 -13.895 1.492 1.00 0.00 H new ATOM 0 HB3 ASN A 30 7.780 -15.261 2.419 1.00 0.00 H new ATOM 0 HD21 ASN A 30 7.023 -15.418 4.670 1.00 0.00 H new ATOM 0 HD22 ASN A 30 5.491 -14.651 5.100 1.00 0.00 H new ATOM 461 N CYS A 31 8.866 -11.153 3.619 1.00 0.00 N ATOM 462 CA CYS A 31 8.948 -9.714 3.566 1.00 0.00 C ATOM 463 C CYS A 31 10.293 -9.302 3.057 1.00 0.00 C ATOM 464 O CYS A 31 10.370 -8.477 2.201 1.00 0.00 O ATOM 465 CB CYS A 31 8.727 -9.094 4.929 1.00 0.00 C ATOM 466 SG CYS A 31 8.823 -7.296 4.970 1.00 0.00 S ATOM 0 H CYS A 31 8.918 -11.525 4.567 1.00 0.00 H new ATOM 0 HA CYS A 31 8.165 -9.362 2.894 1.00 0.00 H new ATOM 0 HB2 CYS A 31 7.747 -9.399 5.296 1.00 0.00 H new ATOM 0 HB3 CYS A 31 9.467 -9.498 5.620 1.00 0.00 H new ATOM 0 HG CYS A 31 9.248 -6.911 6.137 1.00 0.00 H new ATOM 472 N ARG A 32 11.364 -9.879 3.608 1.00 0.00 N ATOM 473 CA ARG A 32 12.705 -9.559 3.138 1.00 0.00 C ATOM 474 C ARG A 32 12.866 -9.954 1.690 1.00 0.00 C ATOM 475 O ARG A 32 13.434 -9.191 0.887 1.00 0.00 O ATOM 476 CB ARG A 32 13.791 -10.190 3.986 1.00 0.00 C ATOM 477 CG ARG A 32 13.635 -11.667 4.191 1.00 0.00 C ATOM 478 CD ARG A 32 14.963 -12.366 4.022 1.00 0.00 C ATOM 479 NE ARG A 32 14.904 -13.780 4.407 1.00 0.00 N ATOM 480 CZ ARG A 32 15.093 -14.825 3.590 1.00 0.00 C ATOM 481 NH1 ARG A 32 15.344 -14.641 2.298 1.00 0.00 N ATOM 482 NH2 ARG A 32 15.055 -16.056 4.087 1.00 0.00 N ATOM 0 H ARG A 32 11.326 -10.559 4.368 1.00 0.00 H new ATOM 0 HA ARG A 32 12.822 -8.479 3.231 1.00 0.00 H new ATOM 0 HB2 ARG A 32 14.757 -10.000 3.518 1.00 0.00 H new ATOM 0 HB3 ARG A 32 13.806 -9.700 4.959 1.00 0.00 H new ATOM 0 HG2 ARG A 32 13.238 -11.862 5.187 1.00 0.00 H new ATOM 0 HG3 ARG A 32 12.914 -12.065 3.477 1.00 0.00 H new ATOM 0 HD2 ARG A 32 15.282 -12.288 2.982 1.00 0.00 H new ATOM 0 HD3 ARG A 32 15.716 -11.859 4.625 1.00 0.00 H new ATOM 0 HE ARG A 32 14.701 -13.986 5.385 1.00 0.00 H new ATOM 0 HH11 ARG A 32 15.395 -13.696 1.918 1.00 0.00 H new ATOM 0 HH12 ARG A 32 15.486 -15.445 1.687 1.00 0.00 H new ATOM 0 HH21 ARG A 32 14.883 -16.199 5.082 1.00 0.00 H new ATOM 0 HH22 ARG A 32 15.198 -16.858 3.474 1.00 0.00 H new ATOM 496 N SER A 33 12.343 -11.130 1.340 1.00 0.00 N ATOM 497 CA SER A 33 12.337 -11.541 -0.036 1.00 0.00 C ATOM 498 C SER A 33 11.532 -10.536 -0.881 1.00 0.00 C ATOM 499 O SER A 33 11.969 -10.109 -1.956 1.00 0.00 O ATOM 500 CB SER A 33 11.751 -12.932 -0.145 1.00 0.00 C ATOM 501 OG SER A 33 12.563 -13.871 0.534 1.00 0.00 O ATOM 0 H SER A 33 11.927 -11.796 1.991 1.00 0.00 H new ATOM 0 HA SER A 33 13.358 -11.563 -0.417 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.745 -12.942 0.275 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.661 -13.213 -1.194 1.00 0.00 H new ATOM 0 HG SER A 33 12.317 -13.891 1.482 1.00 0.00 H new ATOM 507 N LEU A 34 10.398 -10.104 -0.343 1.00 0.00 N ATOM 508 CA LEU A 34 9.505 -9.173 -1.037 1.00 0.00 C ATOM 509 C LEU A 34 10.211 -7.877 -1.277 1.00 0.00 C ATOM 510 O LEU A 34 10.218 -7.361 -2.354 1.00 0.00 O ATOM 511 CB LEU A 34 8.277 -8.868 -0.206 1.00 0.00 C ATOM 512 CG LEU A 34 7.171 -8.141 -0.960 1.00 0.00 C ATOM 513 CD1 LEU A 34 6.411 -9.055 -1.895 1.00 0.00 C ATOM 514 CD2 LEU A 34 6.263 -7.408 -0.040 1.00 0.00 C ATOM 0 H LEU A 34 10.069 -10.385 0.581 1.00 0.00 H new ATOM 0 HA LEU A 34 9.211 -9.644 -1.975 1.00 0.00 H new ATOM 0 HB2 LEU A 34 7.878 -9.803 0.187 1.00 0.00 H new ATOM 0 HB3 LEU A 34 8.574 -8.263 0.651 1.00 0.00 H new ATOM 0 HG LEU A 34 7.661 -7.397 -1.587 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.634 -8.487 -2.407 1.00 0.00 H new ATOM 0 HD12 LEU A 34 7.097 -9.476 -2.630 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.953 -9.862 -1.323 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.489 -6.904 -0.618 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.799 -8.112 0.651 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.834 -6.670 0.523 1.00 0.00 H new ATOM 526 N MET A 35 10.853 -7.437 -0.263 1.00 0.00 N ATOM 527 CA MET A 35 11.548 -6.185 -0.176 1.00 0.00 C ATOM 528 C MET A 35 12.642 -6.098 -1.209 1.00 0.00 C ATOM 529 O MET A 35 13.010 -5.027 -1.650 1.00 0.00 O ATOM 530 CB MET A 35 12.119 -6.132 1.210 1.00 0.00 C ATOM 531 CG MET A 35 12.734 -4.847 1.632 1.00 0.00 C ATOM 532 SD MET A 35 13.235 -4.925 3.352 1.00 0.00 S ATOM 533 CE MET A 35 11.663 -5.331 4.136 1.00 0.00 C ATOM 0 H MET A 35 10.919 -7.975 0.601 1.00 0.00 H new ATOM 0 HA MET A 35 10.879 -5.346 -0.367 1.00 0.00 H new ATOM 0 HB2 MET A 35 11.324 -6.376 1.915 1.00 0.00 H new ATOM 0 HB3 MET A 35 12.873 -6.914 1.297 1.00 0.00 H new ATOM 0 HG2 MET A 35 13.598 -4.628 1.005 1.00 0.00 H new ATOM 0 HG3 MET A 35 12.023 -4.033 1.491 1.00 0.00 H new ATOM 0 HE1 MET A 35 11.789 -5.345 5.219 1.00 0.00 H new ATOM 0 HE2 MET A 35 10.918 -4.582 3.867 1.00 0.00 H new ATOM 0 HE3 MET A 35 11.330 -6.312 3.797 1.00 0.00 H new ATOM 543 N HIS A 36 13.191 -7.227 -1.549 1.00 0.00 N ATOM 544 CA HIS A 36 14.189 -7.268 -2.572 1.00 0.00 C ATOM 545 C HIS A 36 13.611 -7.611 -3.951 1.00 0.00 C ATOM 546 O HIS A 36 14.307 -7.515 -4.954 1.00 0.00 O ATOM 547 CB HIS A 36 15.346 -8.176 -2.191 1.00 0.00 C ATOM 548 CG HIS A 36 16.258 -7.598 -1.126 1.00 0.00 C ATOM 549 ND1 HIS A 36 17.623 -7.500 -1.276 1.00 0.00 N ATOM 550 CD2 HIS A 36 15.988 -7.082 0.103 1.00 0.00 C ATOM 551 CE1 HIS A 36 18.149 -6.946 -0.202 1.00 0.00 C ATOM 552 NE2 HIS A 36 17.183 -6.681 0.648 1.00 0.00 N ATOM 0 H HIS A 36 12.964 -8.130 -1.132 1.00 0.00 H new ATOM 0 HA HIS A 36 14.588 -6.257 -2.658 1.00 0.00 H new ATOM 0 HB2 HIS A 36 14.947 -9.127 -1.837 1.00 0.00 H new ATOM 0 HB3 HIS A 36 15.935 -8.390 -3.083 1.00 0.00 H new ATOM 0 HD2 HIS A 36 15.015 -7.002 0.565 1.00 0.00 H new ATOM 0 HE1 HIS A 36 19.198 -6.744 -0.047 1.00 0.00 H new ATOM 0 HE2 HIS A 36 17.301 -6.248 1.564 1.00 0.00 H new ATOM 561 N HIS A 37 12.350 -8.016 -4.005 1.00 0.00 N ATOM 562 CA HIS A 37 11.710 -8.320 -5.294 1.00 0.00 C ATOM 563 C HIS A 37 10.777 -7.201 -5.753 1.00 0.00 C ATOM 564 O HIS A 37 10.416 -7.131 -6.934 1.00 0.00 O ATOM 565 CB HIS A 37 10.934 -9.648 -5.284 1.00 0.00 C ATOM 566 CG HIS A 37 11.757 -10.909 -5.390 1.00 0.00 C ATOM 567 ND1 HIS A 37 12.279 -11.713 -4.441 1.00 0.00 N flip ATOM 568 CD2 HIS A 37 12.054 -11.513 -6.590 1.00 0.00 C flip ATOM 569 CE1 HIS A 37 12.864 -12.775 -5.072 1.00 0.00 C flip ATOM 570 NE2 HIS A 37 12.715 -12.626 -6.371 1.00 0.00 N flip ATOM 0 H HIS A 37 11.751 -8.143 -3.189 1.00 0.00 H new ATOM 0 HA HIS A 37 12.535 -8.412 -6.000 1.00 0.00 H new ATOM 0 HB2 HIS A 37 10.352 -9.696 -4.363 1.00 0.00 H new ATOM 0 HB3 HIS A 37 10.223 -9.634 -6.110 1.00 0.00 H new ATOM 0 HD1 HIS A 37 12.244 -11.557 -3.434 1.00 0.00 H new ATOM 0 HD2 HIS A 37 11.785 -11.130 -7.563 1.00 0.00 H new ATOM 0 HE1 HIS A 37 13.365 -13.599 -4.586 1.00 0.00 H new ATOM 579 N VAL A 38 10.385 -6.346 -4.843 1.00 0.00 N ATOM 580 CA VAL A 38 9.468 -5.263 -5.158 1.00 0.00 C ATOM 581 C VAL A 38 10.046 -3.948 -4.638 1.00 0.00 C ATOM 582 O VAL A 38 10.856 -3.955 -3.718 1.00 0.00 O ATOM 583 CB VAL A 38 8.030 -5.511 -4.577 1.00 0.00 C ATOM 584 CG1 VAL A 38 7.942 -5.343 -3.083 1.00 0.00 C ATOM 585 CG2 VAL A 38 7.015 -4.668 -5.284 1.00 0.00 C ATOM 0 H VAL A 38 10.685 -6.374 -3.869 1.00 0.00 H new ATOM 0 HA VAL A 38 9.359 -5.214 -6.241 1.00 0.00 H new ATOM 0 HB VAL A 38 7.804 -6.561 -4.766 1.00 0.00 H new ATOM 0 HG11 VAL A 38 6.919 -5.530 -2.755 1.00 0.00 H new ATOM 0 HG12 VAL A 38 8.614 -6.051 -2.597 1.00 0.00 H new ATOM 0 HG13 VAL A 38 8.229 -4.327 -2.814 1.00 0.00 H new ATOM 0 HG21 VAL A 38 6.028 -4.858 -4.863 1.00 0.00 H new ATOM 0 HG22 VAL A 38 7.266 -3.615 -5.159 1.00 0.00 H new ATOM 0 HG23 VAL A 38 7.011 -4.917 -6.345 1.00 0.00 H new ATOM 595 N LYS A 39 9.650 -2.840 -5.237 1.00 0.00 N ATOM 596 CA LYS A 39 10.186 -1.545 -4.864 1.00 0.00 C ATOM 597 C LYS A 39 9.568 -1.034 -3.568 1.00 0.00 C ATOM 598 O LYS A 39 10.257 -0.836 -2.569 1.00 0.00 O ATOM 599 CB LYS A 39 9.956 -0.551 -5.993 1.00 0.00 C ATOM 600 CG LYS A 39 10.558 0.799 -5.729 1.00 0.00 C ATOM 601 CD LYS A 39 10.532 1.694 -6.942 1.00 0.00 C ATOM 602 CE LYS A 39 9.153 2.201 -7.277 1.00 0.00 C ATOM 603 NZ LYS A 39 9.206 3.094 -8.453 1.00 0.00 N ATOM 0 H LYS A 39 8.958 -2.812 -5.985 1.00 0.00 H new ATOM 0 HA LYS A 39 11.257 -1.656 -4.692 1.00 0.00 H new ATOM 0 HB2 LYS A 39 10.377 -0.955 -6.914 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.884 -0.438 -6.155 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.017 1.281 -4.915 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.588 0.674 -5.396 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.193 2.544 -6.773 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.929 1.147 -7.797 1.00 0.00 H new ATOM 0 HE2 LYS A 39 8.489 1.361 -7.480 1.00 0.00 H new ATOM 0 HE3 LYS A 39 8.738 2.737 -6.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.249 3.436 -8.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.824 3.904 -8.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 9.582 2.571 -9.269 1.00 0.00 H new ATOM 617 N ASN A 40 8.286 -0.807 -3.612 1.00 0.00 N ATOM 618 CA ASN A 40 7.509 -0.350 -2.503 1.00 0.00 C ATOM 619 C ASN A 40 6.044 -0.598 -2.885 1.00 0.00 C ATOM 620 O ASN A 40 5.799 -1.299 -3.891 1.00 0.00 O ATOM 621 CB ASN A 40 7.831 1.157 -2.173 1.00 0.00 C ATOM 622 CG ASN A 40 7.092 1.705 -0.940 1.00 0.00 C ATOM 623 OD1 ASN A 40 6.031 2.251 -1.054 1.00 0.00 O ATOM 624 ND2 ASN A 40 7.631 1.521 0.225 1.00 0.00 N ATOM 0 H ASN A 40 7.734 -0.942 -4.459 1.00 0.00 H new ATOM 0 HA ASN A 40 7.742 -0.886 -1.583 1.00 0.00 H new ATOM 0 HB2 ASN A 40 8.904 1.261 -2.015 1.00 0.00 H new ATOM 0 HB3 ASN A 40 7.575 1.769 -3.038 1.00 0.00 H new ATOM 0 HD21 ASN A 40 7.151 1.843 1.066 1.00 0.00 H new ATOM 0 HD22 ASN A 40 8.535 1.054 0.301 1.00 0.00 H new ATOM 631 N ILE A 41 5.121 -0.026 -2.133 1.00 0.00 N ATOM 632 CA ILE A 41 3.673 -0.139 -2.262 1.00 0.00 C ATOM 633 C ILE A 41 3.221 -0.126 -3.718 1.00 0.00 C ATOM 634 O ILE A 41 2.473 -0.997 -4.136 1.00 0.00 O ATOM 635 CB ILE A 41 3.043 1.087 -1.585 1.00 0.00 C ATOM 636 CG1 ILE A 41 3.362 1.128 -0.088 1.00 0.00 C ATOM 637 CG2 ILE A 41 1.521 1.156 -1.821 1.00 0.00 C ATOM 638 CD1 ILE A 41 2.885 2.392 0.593 1.00 0.00 C ATOM 0 H ILE A 41 5.382 0.578 -1.354 1.00 0.00 H new ATOM 0 HA ILE A 41 3.368 -1.082 -1.808 1.00 0.00 H new ATOM 0 HB ILE A 41 3.489 1.966 -2.049 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.903 0.267 0.398 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.439 1.034 0.049 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.116 2.038 -1.325 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.321 1.217 -2.891 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.049 0.262 -1.414 1.00 0.00 H new ATOM 0 HD11 ILE A 41 3.143 2.355 1.651 1.00 0.00 H new ATOM 0 HD12 ILE A 41 3.364 3.256 0.133 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.804 2.477 0.486 1.00 0.00 H new ATOM 650 N ALA A 42 3.698 0.871 -4.481 1.00 0.00 N ATOM 651 CA ALA A 42 3.296 1.037 -5.877 1.00 0.00 C ATOM 652 C ALA A 42 3.493 -0.215 -6.708 1.00 0.00 C ATOM 653 O ALA A 42 2.561 -0.695 -7.335 1.00 0.00 O ATOM 654 CB ALA A 42 4.005 2.210 -6.504 1.00 0.00 C ATOM 0 H ALA A 42 4.362 1.571 -4.150 1.00 0.00 H new ATOM 0 HA ALA A 42 2.224 1.235 -5.865 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.690 2.313 -7.542 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.757 3.120 -5.957 1.00 0.00 H new ATOM 0 HB3 ALA A 42 5.082 2.047 -6.467 1.00 0.00 H new ATOM 660 N GLU A 43 4.683 -0.769 -6.673 1.00 0.00 N ATOM 661 CA GLU A 43 4.980 -1.930 -7.471 1.00 0.00 C ATOM 662 C GLU A 43 4.339 -3.160 -6.871 1.00 0.00 C ATOM 663 O GLU A 43 3.941 -4.056 -7.586 1.00 0.00 O ATOM 664 CB GLU A 43 6.478 -2.100 -7.619 1.00 0.00 C ATOM 665 CG GLU A 43 7.188 -0.871 -8.163 1.00 0.00 C ATOM 666 CD GLU A 43 6.567 -0.359 -9.430 1.00 0.00 C ATOM 667 OE1 GLU A 43 6.848 -0.909 -10.498 1.00 0.00 O ATOM 668 OE2 GLU A 43 5.794 0.603 -9.371 1.00 0.00 O ATOM 0 H GLU A 43 5.458 -0.433 -6.101 1.00 0.00 H new ATOM 0 HA GLU A 43 4.561 -1.790 -8.468 1.00 0.00 H new ATOM 0 HB2 GLU A 43 6.903 -2.352 -6.647 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.674 -2.943 -8.281 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.171 -0.083 -7.410 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.235 -1.113 -8.348 1.00 0.00 H new ATOM 675 N LEU A 44 4.234 -3.177 -5.553 1.00 0.00 N ATOM 676 CA LEU A 44 3.592 -4.261 -4.830 1.00 0.00 C ATOM 677 C LEU A 44 2.121 -4.380 -5.216 1.00 0.00 C ATOM 678 O LEU A 44 1.586 -5.461 -5.334 1.00 0.00 O ATOM 679 CB LEU A 44 3.735 -4.031 -3.321 1.00 0.00 C ATOM 680 CG LEU A 44 3.012 -5.018 -2.411 1.00 0.00 C ATOM 681 CD1 LEU A 44 3.482 -6.439 -2.675 1.00 0.00 C ATOM 682 CD2 LEU A 44 3.240 -4.649 -0.965 1.00 0.00 C ATOM 0 H LEU A 44 4.594 -2.436 -4.952 1.00 0.00 H new ATOM 0 HA LEU A 44 4.083 -5.197 -5.097 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.796 -4.051 -3.072 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.373 -3.028 -3.093 1.00 0.00 H new ATOM 0 HG LEU A 44 1.944 -4.969 -2.625 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.953 -7.126 -2.015 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.277 -6.703 -3.713 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.554 -6.509 -2.488 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.720 -5.359 -0.322 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.308 -4.676 -0.747 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.857 -3.645 -0.781 1.00 0.00 H new ATOM 694 N ALA A 45 1.486 -3.268 -5.418 1.00 0.00 N ATOM 695 CA ALA A 45 0.109 -3.269 -5.788 1.00 0.00 C ATOM 696 C ALA A 45 -0.054 -3.434 -7.294 1.00 0.00 C ATOM 697 O ALA A 45 -1.126 -3.815 -7.788 1.00 0.00 O ATOM 698 CB ALA A 45 -0.552 -2.015 -5.286 1.00 0.00 C ATOM 0 H ALA A 45 1.905 -2.342 -5.332 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.384 -4.123 -5.323 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.604 -2.019 -5.571 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.470 -1.970 -4.200 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.062 -1.145 -5.723 1.00 0.00 H new ATOM 704 N ALA A 46 1.021 -3.171 -8.006 1.00 0.00 N ATOM 705 CA ALA A 46 1.035 -3.254 -9.452 1.00 0.00 C ATOM 706 C ALA A 46 1.334 -4.666 -9.924 1.00 0.00 C ATOM 707 O ALA A 46 1.017 -5.029 -11.062 1.00 0.00 O ATOM 708 CB ALA A 46 2.071 -2.304 -10.013 1.00 0.00 C ATOM 0 H ALA A 46 1.913 -2.893 -7.597 1.00 0.00 H new ATOM 0 HA ALA A 46 0.044 -2.976 -9.812 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.076 -2.372 -11.101 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.829 -1.284 -9.714 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.055 -2.571 -9.629 1.00 0.00 H new ATOM 714 N LEU A 47 1.957 -5.455 -9.076 1.00 0.00 N ATOM 715 CA LEU A 47 2.304 -6.791 -9.444 1.00 0.00 C ATOM 716 C LEU A 47 1.099 -7.755 -9.408 1.00 0.00 C ATOM 717 O LEU A 47 0.009 -7.392 -8.950 1.00 0.00 O ATOM 718 CB LEU A 47 3.556 -7.307 -8.687 1.00 0.00 C ATOM 719 CG LEU A 47 3.542 -7.224 -7.183 1.00 0.00 C ATOM 720 CD1 LEU A 47 2.483 -8.122 -6.649 1.00 0.00 C ATOM 721 CD2 LEU A 47 4.897 -7.595 -6.630 1.00 0.00 C ATOM 0 H LEU A 47 2.229 -5.186 -8.130 1.00 0.00 H new ATOM 0 HA LEU A 47 2.599 -6.761 -10.493 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.711 -8.349 -8.965 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.420 -6.749 -9.047 1.00 0.00 H new ATOM 0 HG LEU A 47 3.322 -6.202 -6.874 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.471 -8.064 -5.561 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.513 -7.813 -7.040 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.688 -9.148 -6.955 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.876 -7.532 -5.542 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.146 -8.613 -6.929 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.649 -6.908 -7.019 1.00 0.00 H new ATOM 733 N SER A 48 1.294 -8.952 -9.881 1.00 0.00 N ATOM 734 CA SER A 48 0.248 -9.942 -9.896 1.00 0.00 C ATOM 735 C SER A 48 0.470 -10.962 -8.784 1.00 0.00 C ATOM 736 O SER A 48 1.580 -11.071 -8.244 1.00 0.00 O ATOM 737 CB SER A 48 0.222 -10.595 -11.263 1.00 0.00 C ATOM 738 OG SER A 48 0.091 -9.591 -12.274 1.00 0.00 O ATOM 0 H SER A 48 2.182 -9.273 -10.268 1.00 0.00 H new ATOM 0 HA SER A 48 -0.720 -9.475 -9.712 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.136 -11.167 -11.421 1.00 0.00 H new ATOM 0 HB3 SER A 48 -0.609 -11.298 -11.325 1.00 0.00 H new ATOM 0 HG SER A 48 0.076 -10.016 -13.157 1.00 0.00 H new ATOM 744 N GLN A 49 -0.566 -11.725 -8.450 1.00 0.00 N ATOM 745 CA GLN A 49 -0.500 -12.677 -7.354 1.00 0.00 C ATOM 746 C GLN A 49 0.508 -13.794 -7.643 1.00 0.00 C ATOM 747 O GLN A 49 1.100 -14.358 -6.722 1.00 0.00 O ATOM 748 CB GLN A 49 -1.882 -13.237 -7.042 1.00 0.00 C ATOM 749 CG GLN A 49 -1.920 -14.193 -5.870 1.00 0.00 C ATOM 750 CD GLN A 49 -3.303 -14.722 -5.590 1.00 0.00 C ATOM 751 OE1 GLN A 49 -4.297 -14.035 -5.797 1.00 0.00 O ATOM 752 NE2 GLN A 49 -3.384 -15.951 -5.173 1.00 0.00 N ATOM 0 H GLN A 49 -1.466 -11.699 -8.929 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.147 -12.148 -6.469 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.560 -12.407 -6.840 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.261 -13.750 -7.926 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.250 -15.029 -6.068 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.544 -13.686 -4.982 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.534 -16.492 -5.012 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.297 -16.374 -5.007 1.00 0.00 H new ATOM 761 N ASP A 50 0.733 -14.086 -8.916 1.00 0.00 N ATOM 762 CA ASP A 50 1.745 -15.090 -9.304 1.00 0.00 C ATOM 763 C ASP A 50 3.115 -14.646 -8.865 1.00 0.00 C ATOM 764 O ASP A 50 3.929 -15.454 -8.422 1.00 0.00 O ATOM 765 CB ASP A 50 1.767 -15.389 -10.811 1.00 0.00 C ATOM 766 CG ASP A 50 0.588 -16.194 -11.294 1.00 0.00 C ATOM 767 OD1 ASP A 50 0.459 -17.369 -10.902 1.00 0.00 O ATOM 768 OD2 ASP A 50 -0.246 -15.661 -12.073 1.00 0.00 O ATOM 0 H ASP A 50 0.241 -13.654 -9.698 1.00 0.00 H new ATOM 0 HA ASP A 50 1.462 -16.013 -8.799 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.799 -14.446 -11.357 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.684 -15.927 -11.051 1.00 0.00 H new ATOM 773 N GLU A 51 3.347 -13.343 -8.932 1.00 0.00 N ATOM 774 CA GLU A 51 4.609 -12.765 -8.510 1.00 0.00 C ATOM 775 C GLU A 51 4.766 -12.966 -7.023 1.00 0.00 C ATOM 776 O GLU A 51 5.797 -13.418 -6.561 1.00 0.00 O ATOM 777 CB GLU A 51 4.677 -11.273 -8.850 1.00 0.00 C ATOM 778 CG GLU A 51 4.490 -10.970 -10.324 1.00 0.00 C ATOM 779 CD GLU A 51 5.478 -11.704 -11.186 1.00 0.00 C ATOM 780 OE1 GLU A 51 6.620 -11.213 -11.363 1.00 0.00 O ATOM 781 OE2 GLU A 51 5.134 -12.781 -11.714 1.00 0.00 O ATOM 0 H GLU A 51 2.670 -12.663 -9.278 1.00 0.00 H new ATOM 0 HA GLU A 51 5.420 -13.262 -9.042 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.912 -10.745 -8.281 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.641 -10.880 -8.528 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.478 -11.242 -10.623 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.594 -9.897 -10.488 1.00 0.00 H new ATOM 788 N LEU A 52 3.700 -12.692 -6.286 1.00 0.00 N ATOM 789 CA LEU A 52 3.697 -12.878 -4.841 1.00 0.00 C ATOM 790 C LEU A 52 3.923 -14.338 -4.488 1.00 0.00 C ATOM 791 O LEU A 52 4.682 -14.648 -3.596 1.00 0.00 O ATOM 792 CB LEU A 52 2.392 -12.394 -4.215 1.00 0.00 C ATOM 793 CG LEU A 52 2.075 -10.918 -4.364 1.00 0.00 C ATOM 794 CD1 LEU A 52 0.757 -10.588 -3.698 1.00 0.00 C ATOM 795 CD2 LEU A 52 3.199 -10.064 -3.801 1.00 0.00 C ATOM 0 H LEU A 52 2.822 -12.339 -6.666 1.00 0.00 H new ATOM 0 HA LEU A 52 4.513 -12.280 -4.436 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.572 -12.965 -4.652 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.415 -12.632 -3.152 1.00 0.00 H new ATOM 0 HG LEU A 52 1.984 -10.692 -5.427 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.546 -9.525 -3.815 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.040 -11.169 -4.161 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.814 -10.832 -2.637 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.949 -9.010 -3.919 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.332 -10.289 -2.743 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.123 -10.280 -4.337 1.00 0.00 H new ATOM 807 N THR A 53 3.288 -15.228 -5.226 1.00 0.00 N ATOM 808 CA THR A 53 3.431 -16.659 -5.000 1.00 0.00 C ATOM 809 C THR A 53 4.886 -17.082 -5.234 1.00 0.00 C ATOM 810 O THR A 53 5.372 -18.006 -4.630 1.00 0.00 O ATOM 811 CB THR A 53 2.507 -17.479 -5.920 1.00 0.00 C ATOM 812 OG1 THR A 53 1.167 -16.939 -5.878 1.00 0.00 O ATOM 813 CG2 THR A 53 2.455 -18.935 -5.462 1.00 0.00 C ATOM 0 H THR A 53 2.662 -14.985 -5.994 1.00 0.00 H new ATOM 0 HA THR A 53 3.145 -16.858 -3.967 1.00 0.00 H new ATOM 0 HB THR A 53 2.903 -17.427 -6.934 1.00 0.00 H new ATOM 0 HG1 THR A 53 1.156 -16.056 -6.304 1.00 0.00 H new ATOM 0 HG21 THR A 53 1.798 -19.501 -6.122 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.457 -19.362 -5.494 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.073 -18.982 -4.442 1.00 0.00 H new ATOM 821 N SER A 54 5.548 -16.407 -6.128 1.00 0.00 N ATOM 822 CA SER A 54 6.903 -16.649 -6.410 1.00 0.00 C ATOM 823 C SER A 54 7.808 -16.124 -5.277 1.00 0.00 C ATOM 824 O SER A 54 8.648 -16.850 -4.749 1.00 0.00 O ATOM 825 CB SER A 54 7.209 -15.992 -7.723 1.00 0.00 C ATOM 826 OG SER A 54 6.361 -16.507 -8.748 1.00 0.00 O ATOM 0 H SER A 54 5.136 -15.659 -6.686 1.00 0.00 H new ATOM 0 HA SER A 54 7.098 -17.719 -6.477 1.00 0.00 H new ATOM 0 HB2 SER A 54 7.073 -14.914 -7.638 1.00 0.00 H new ATOM 0 HB3 SER A 54 8.253 -16.162 -7.987 1.00 0.00 H new ATOM 0 HG SER A 54 5.500 -16.040 -8.725 1.00 0.00 H new ATOM 832 N ILE A 55 7.587 -14.879 -4.895 1.00 0.00 N ATOM 833 CA ILE A 55 8.371 -14.190 -3.867 1.00 0.00 C ATOM 834 C ILE A 55 8.214 -14.857 -2.505 1.00 0.00 C ATOM 835 O ILE A 55 9.196 -15.178 -1.833 1.00 0.00 O ATOM 836 CB ILE A 55 7.906 -12.719 -3.745 1.00 0.00 C ATOM 837 CG1 ILE A 55 8.099 -11.989 -5.084 1.00 0.00 C ATOM 838 CG2 ILE A 55 8.647 -12.000 -2.619 1.00 0.00 C ATOM 839 CD1 ILE A 55 7.503 -10.597 -5.129 1.00 0.00 C ATOM 0 H ILE A 55 6.846 -14.302 -5.293 1.00 0.00 H new ATOM 0 HA ILE A 55 9.417 -14.238 -4.168 1.00 0.00 H new ATOM 0 HB ILE A 55 6.845 -12.713 -3.497 1.00 0.00 H new ATOM 0 HG12 ILE A 55 9.166 -11.921 -5.297 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.653 -12.588 -5.878 1.00 0.00 H new ATOM 0 HG21 ILE A 55 8.300 -10.968 -2.556 1.00 0.00 H new ATOM 0 HG22 ILE A 55 8.452 -12.507 -1.674 1.00 0.00 H new ATOM 0 HG23 ILE A 55 9.718 -12.011 -2.823 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.685 -10.155 -6.109 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.429 -10.655 -4.951 1.00 0.00 H new ATOM 0 HD13 ILE A 55 7.966 -9.978 -4.360 1.00 0.00 H new ATOM 851 N LEU A 56 6.984 -15.055 -2.114 1.00 0.00 N ATOM 852 CA LEU A 56 6.674 -15.590 -0.818 1.00 0.00 C ATOM 853 C LEU A 56 6.788 -17.090 -0.870 1.00 0.00 C ATOM 854 O LEU A 56 7.064 -17.726 0.120 1.00 0.00 O ATOM 855 CB LEU A 56 5.249 -15.188 -0.398 1.00 0.00 C ATOM 856 CG LEU A 56 4.790 -13.743 -0.731 1.00 0.00 C ATOM 857 CD1 LEU A 56 3.460 -13.473 -0.111 1.00 0.00 C ATOM 858 CD2 LEU A 56 5.789 -12.682 -0.303 1.00 0.00 C ATOM 0 H LEU A 56 6.167 -14.849 -2.688 1.00 0.00 H new ATOM 0 HA LEU A 56 7.374 -15.190 -0.085 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.551 -15.881 -0.868 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.162 -15.330 0.679 1.00 0.00 H new ATOM 0 HG LEU A 56 4.716 -13.682 -1.817 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.147 -12.457 -0.350 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.727 -14.180 -0.500 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.533 -13.585 0.971 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.407 -11.695 -0.565 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.940 -12.738 0.775 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.738 -12.850 -0.811 1.00 0.00 H new ATOM 870 N GLY A 57 6.550 -17.639 -2.044 1.00 0.00 N ATOM 871 CA GLY A 57 6.650 -19.064 -2.253 1.00 0.00 C ATOM 872 C GLY A 57 5.386 -19.784 -1.876 1.00 0.00 C ATOM 873 O GLY A 57 5.260 -20.986 -2.088 1.00 0.00 O ATOM 0 H GLY A 57 6.283 -17.110 -2.875 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.879 -19.260 -3.300 1.00 0.00 H new ATOM 0 HA3 GLY A 57 7.479 -19.458 -1.666 1.00 0.00 H new ATOM 877 N ASN A 58 4.436 -19.049 -1.348 1.00 0.00 N ATOM 878 CA ASN A 58 3.203 -19.623 -0.863 1.00 0.00 C ATOM 879 C ASN A 58 2.081 -18.944 -1.568 1.00 0.00 C ATOM 880 O ASN A 58 2.074 -17.707 -1.678 1.00 0.00 O ATOM 881 CB ASN A 58 3.017 -19.306 0.620 1.00 0.00 C ATOM 882 CG ASN A 58 4.293 -19.306 1.404 1.00 0.00 C ATOM 883 OD1 ASN A 58 4.397 -18.359 2.274 1.00 0.00 O flip ATOM 884 ND2 ASN A 58 5.193 -20.112 1.193 1.00 0.00 N flip ATOM 0 H ASN A 58 4.496 -18.036 -1.242 1.00 0.00 H new ATOM 0 HA ASN A 58 3.225 -20.700 -1.027 1.00 0.00 H new ATOM 0 HB2 ASN A 58 2.543 -18.329 0.716 1.00 0.00 H new ATOM 0 HB3 ASN A 58 2.334 -20.036 1.055 1.00 0.00 H new ATOM 0 HD21 ASN A 58 5.068 -20.845 0.495 1.00 0.00 H new ATOM 0 HD22 ASN A 58 6.067 -20.049 1.715 1.00 0.00 H new ATOM 891 N ALA A 59 1.128 -19.704 -2.003 1.00 0.00 N ATOM 892 CA ALA A 59 -0.036 -19.156 -2.636 1.00 0.00 C ATOM 893 C ALA A 59 -0.980 -18.618 -1.590 1.00 0.00 C ATOM 894 O ALA A 59 -1.817 -17.786 -1.886 1.00 0.00 O ATOM 895 CB ALA A 59 -0.744 -20.194 -3.467 1.00 0.00 C ATOM 0 H ALA A 59 1.131 -20.721 -1.931 1.00 0.00 H new ATOM 0 HA ALA A 59 0.285 -18.349 -3.295 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -1.622 -19.749 -3.934 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.070 -20.563 -4.240 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -1.053 -21.022 -2.829 1.00 0.00 H new ATOM 901 N ALA A 60 -0.834 -19.084 -0.355 1.00 0.00 N ATOM 902 CA ALA A 60 -1.698 -18.637 0.720 1.00 0.00 C ATOM 903 C ALA A 60 -1.377 -17.205 1.062 1.00 0.00 C ATOM 904 O ALA A 60 -2.249 -16.347 1.054 1.00 0.00 O ATOM 905 CB ALA A 60 -1.535 -19.509 1.936 1.00 0.00 C ATOM 0 H ALA A 60 -0.129 -19.767 -0.079 1.00 0.00 H new ATOM 0 HA ALA A 60 -2.734 -18.708 0.389 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.193 -19.154 2.729 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.793 -20.537 1.683 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.501 -19.468 2.277 1.00 0.00 H new ATOM 911 N ASN A 61 -0.104 -16.951 1.312 1.00 0.00 N ATOM 912 CA ASN A 61 0.385 -15.610 1.624 1.00 0.00 C ATOM 913 C ASN A 61 0.111 -14.676 0.460 1.00 0.00 C ATOM 914 O ASN A 61 -0.340 -13.552 0.644 1.00 0.00 O ATOM 915 CB ASN A 61 1.889 -15.628 1.899 1.00 0.00 C ATOM 916 CG ASN A 61 2.330 -16.105 3.276 1.00 0.00 C ATOM 917 OD1 ASN A 61 1.562 -16.916 3.927 1.00 0.00 O flip ATOM 918 ND2 ASN A 61 3.389 -15.725 3.737 1.00 0.00 N flip ATOM 0 H ASN A 61 0.624 -17.666 1.306 1.00 0.00 H new ATOM 0 HA ASN A 61 -0.136 -15.261 2.515 1.00 0.00 H new ATOM 0 HB2 ASN A 61 2.363 -16.264 1.151 1.00 0.00 H new ATOM 0 HB3 ASN A 61 2.274 -14.619 1.750 1.00 0.00 H new ATOM 0 HD21 ASN A 61 3.977 -15.085 3.203 1.00 0.00 H new ATOM 0 HD22 ASN A 61 3.689 -16.046 4.657 1.00 0.00 H new ATOM 925 N ALA A 62 0.356 -15.181 -0.748 1.00 0.00 N ATOM 926 CA ALA A 62 0.159 -14.427 -1.974 1.00 0.00 C ATOM 927 C ALA A 62 -1.295 -14.050 -2.149 1.00 0.00 C ATOM 928 O ALA A 62 -1.607 -12.919 -2.516 1.00 0.00 O ATOM 929 CB ALA A 62 0.622 -15.244 -3.159 1.00 0.00 C ATOM 0 H ALA A 62 0.698 -16.130 -0.899 1.00 0.00 H new ATOM 0 HA ALA A 62 0.747 -13.511 -1.911 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.472 -14.673 -4.075 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.680 -15.479 -3.047 1.00 0.00 H new ATOM 0 HB3 ALA A 62 0.048 -16.169 -3.210 1.00 0.00 H new ATOM 935 N LYS A 63 -2.186 -14.987 -1.850 1.00 0.00 N ATOM 936 CA LYS A 63 -3.592 -14.758 -1.993 1.00 0.00 C ATOM 937 C LYS A 63 -4.058 -13.763 -0.967 1.00 0.00 C ATOM 938 O LYS A 63 -4.823 -12.874 -1.280 1.00 0.00 O ATOM 939 CB LYS A 63 -4.389 -16.073 -1.908 1.00 0.00 C ATOM 940 CG LYS A 63 -5.897 -15.874 -1.886 1.00 0.00 C ATOM 941 CD LYS A 63 -6.655 -17.177 -1.778 1.00 0.00 C ATOM 942 CE LYS A 63 -8.160 -16.932 -1.784 1.00 0.00 C ATOM 943 NZ LYS A 63 -8.603 -16.246 -3.022 1.00 0.00 N ATOM 0 H LYS A 63 -1.943 -15.916 -1.505 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.775 -14.342 -2.984 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -4.127 -16.702 -2.759 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.089 -16.612 -1.009 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.163 -15.233 -1.045 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.204 -15.354 -2.793 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.385 -17.829 -2.608 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.370 -17.693 -0.861 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.683 -17.883 -1.689 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.433 -16.330 -0.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.632 -16.351 -3.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.362 -15.236 -2.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.125 -16.669 -3.843 1.00 0.00 H new ATOM 957 N GLN A 64 -3.555 -13.896 0.248 1.00 0.00 N ATOM 958 CA GLN A 64 -3.910 -12.989 1.319 1.00 0.00 C ATOM 959 C GLN A 64 -3.520 -11.560 0.996 1.00 0.00 C ATOM 960 O GLN A 64 -4.327 -10.626 1.172 1.00 0.00 O ATOM 961 CB GLN A 64 -3.307 -13.420 2.646 1.00 0.00 C ATOM 962 CG GLN A 64 -3.864 -14.705 3.189 1.00 0.00 C ATOM 963 CD GLN A 64 -3.547 -14.861 4.655 1.00 0.00 C ATOM 964 OE1 GLN A 64 -4.307 -14.426 5.515 1.00 0.00 O ATOM 965 NE2 GLN A 64 -2.443 -15.471 4.959 1.00 0.00 N ATOM 0 H GLN A 64 -2.897 -14.628 0.516 1.00 0.00 H new ATOM 0 HA GLN A 64 -4.995 -13.028 1.415 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -2.229 -13.527 2.524 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -3.468 -12.629 3.379 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -4.944 -14.726 3.044 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -3.451 -15.547 2.633 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -1.833 -15.821 4.220 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -2.185 -15.601 5.937 1.00 0.00 H new ATOM 974 N LEU A 65 -2.331 -11.396 0.480 1.00 0.00 N ATOM 975 CA LEU A 65 -1.825 -10.091 0.172 1.00 0.00 C ATOM 976 C LEU A 65 -2.510 -9.493 -1.064 1.00 0.00 C ATOM 977 O LEU A 65 -3.001 -8.363 -1.008 1.00 0.00 O ATOM 978 CB LEU A 65 -0.301 -10.137 0.029 1.00 0.00 C ATOM 979 CG LEU A 65 0.410 -8.800 -0.201 1.00 0.00 C ATOM 980 CD1 LEU A 65 0.074 -7.813 0.908 1.00 0.00 C ATOM 981 CD2 LEU A 65 1.909 -9.017 -0.268 1.00 0.00 C ATOM 0 H LEU A 65 -1.691 -12.160 0.263 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.062 -9.424 1.001 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.112 -10.591 0.930 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.057 -10.799 -0.802 1.00 0.00 H new ATOM 0 HG LEU A 65 0.066 -8.383 -1.147 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.590 -6.870 0.725 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.002 -7.640 0.928 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.394 -8.221 1.867 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.408 -8.062 -0.432 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.256 -9.452 0.669 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.142 -9.694 -1.090 1.00 0.00 H new ATOM 993 N TYR A 66 -2.601 -10.265 -2.159 1.00 0.00 N ATOM 994 CA TYR A 66 -3.211 -9.769 -3.400 1.00 0.00 C ATOM 995 C TYR A 66 -4.671 -9.354 -3.158 1.00 0.00 C ATOM 996 O TYR A 66 -5.146 -8.303 -3.683 1.00 0.00 O ATOM 997 CB TYR A 66 -3.125 -10.834 -4.495 1.00 0.00 C ATOM 998 CG TYR A 66 -3.571 -10.366 -5.859 1.00 0.00 C ATOM 999 CD1 TYR A 66 -2.699 -9.673 -6.682 1.00 0.00 C ATOM 1000 CD2 TYR A 66 -4.856 -10.616 -6.325 1.00 0.00 C ATOM 1001 CE1 TYR A 66 -3.089 -9.243 -7.925 1.00 0.00 C ATOM 1002 CE2 TYR A 66 -5.254 -10.186 -7.571 1.00 0.00 C ATOM 1003 CZ TYR A 66 -4.367 -9.499 -8.367 1.00 0.00 C ATOM 1004 OH TYR A 66 -4.759 -9.052 -9.601 1.00 0.00 O ATOM 0 H TYR A 66 -2.263 -11.226 -2.209 1.00 0.00 H new ATOM 0 HA TYR A 66 -2.660 -8.889 -3.730 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -2.095 -11.184 -4.564 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -3.734 -11.689 -4.201 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -1.695 -9.468 -6.340 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -5.553 -11.156 -5.701 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -2.395 -8.705 -8.555 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -6.256 -10.387 -7.921 1.00 0.00 H new ATOM 0 HH TYR A 66 -5.689 -9.315 -9.764 1.00 0.00 H new ATOM 1014 N ASP A 67 -5.353 -10.164 -2.361 1.00 0.00 N ATOM 1015 CA ASP A 67 -6.734 -9.939 -1.930 1.00 0.00 C ATOM 1016 C ASP A 67 -6.847 -8.606 -1.235 1.00 0.00 C ATOM 1017 O ASP A 67 -7.651 -7.759 -1.628 1.00 0.00 O ATOM 1018 CB ASP A 67 -7.138 -11.065 -0.967 1.00 0.00 C ATOM 1019 CG ASP A 67 -8.515 -10.946 -0.370 1.00 0.00 C ATOM 1020 OD1 ASP A 67 -9.499 -11.352 -1.025 1.00 0.00 O ATOM 1021 OD2 ASP A 67 -8.623 -10.513 0.794 1.00 0.00 O ATOM 0 H ASP A 67 -4.953 -11.023 -1.983 1.00 0.00 H new ATOM 0 HA ASP A 67 -7.395 -9.936 -2.797 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -7.072 -12.014 -1.498 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -6.411 -11.103 -0.155 1.00 0.00 H new ATOM 1026 N PHE A 68 -5.981 -8.395 -0.264 1.00 0.00 N ATOM 1027 CA PHE A 68 -5.980 -7.188 0.542 1.00 0.00 C ATOM 1028 C PHE A 68 -5.701 -5.945 -0.309 1.00 0.00 C ATOM 1029 O PHE A 68 -6.304 -4.914 -0.108 1.00 0.00 O ATOM 1030 CB PHE A 68 -4.960 -7.322 1.673 1.00 0.00 C ATOM 1031 CG PHE A 68 -4.934 -6.167 2.628 1.00 0.00 C ATOM 1032 CD1 PHE A 68 -6.004 -5.936 3.475 1.00 0.00 C ATOM 1033 CD2 PHE A 68 -3.839 -5.327 2.691 1.00 0.00 C ATOM 1034 CE1 PHE A 68 -5.981 -4.888 4.364 1.00 0.00 C ATOM 1035 CE2 PHE A 68 -3.812 -4.274 3.581 1.00 0.00 C ATOM 1036 CZ PHE A 68 -4.885 -4.054 4.417 1.00 0.00 C ATOM 0 H PHE A 68 -5.252 -9.061 -0.009 1.00 0.00 H new ATOM 0 HA PHE A 68 -6.972 -7.062 0.976 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.173 -8.234 2.231 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -3.968 -7.439 1.238 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -6.866 -6.586 3.437 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.996 -5.497 2.037 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -6.821 -4.718 5.021 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -2.951 -3.623 3.623 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.867 -3.229 5.113 1.00 0.00 H new ATOM 1046 N ILE A 69 -4.808 -6.082 -1.276 1.00 0.00 N ATOM 1047 CA ILE A 69 -4.436 -4.993 -2.203 1.00 0.00 C ATOM 1048 C ILE A 69 -5.620 -4.552 -3.094 1.00 0.00 C ATOM 1049 O ILE A 69 -5.745 -3.353 -3.483 1.00 0.00 O ATOM 1050 CB ILE A 69 -3.257 -5.451 -3.111 1.00 0.00 C ATOM 1051 CG1 ILE A 69 -2.006 -5.700 -2.277 1.00 0.00 C ATOM 1052 CG2 ILE A 69 -2.967 -4.435 -4.209 1.00 0.00 C ATOM 1053 CD1 ILE A 69 -0.878 -6.322 -3.063 1.00 0.00 C ATOM 0 H ILE A 69 -4.309 -6.954 -1.452 1.00 0.00 H new ATOM 0 HA ILE A 69 -4.138 -4.139 -1.594 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.554 -6.384 -3.590 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.666 -4.755 -1.853 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.259 -6.352 -1.441 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -2.138 -4.789 -4.822 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -3.852 -4.310 -4.832 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.702 -3.478 -3.759 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -0.019 -6.472 -2.409 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.201 -7.283 -3.465 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -0.599 -5.661 -3.884 1.00 0.00 H new ATOM 1065 N HIS A 70 -6.478 -5.498 -3.421 1.00 0.00 N ATOM 1066 CA HIS A 70 -7.588 -5.232 -4.347 1.00 0.00 C ATOM 1067 C HIS A 70 -8.983 -5.205 -3.695 1.00 0.00 C ATOM 1068 O HIS A 70 -9.985 -5.100 -4.396 1.00 0.00 O ATOM 1069 CB HIS A 70 -7.552 -6.212 -5.522 1.00 0.00 C ATOM 1070 CG HIS A 70 -6.345 -6.048 -6.397 1.00 0.00 C ATOM 1071 ND1 HIS A 70 -5.142 -6.661 -6.140 1.00 0.00 N ATOM 1072 CD2 HIS A 70 -6.149 -5.299 -7.508 1.00 0.00 C ATOM 1073 CE1 HIS A 70 -4.263 -6.289 -7.054 1.00 0.00 C ATOM 1074 NE2 HIS A 70 -4.847 -5.469 -7.890 1.00 0.00 N ATOM 0 H HIS A 70 -6.439 -6.454 -3.068 1.00 0.00 H new ATOM 0 HA HIS A 70 -7.427 -4.216 -4.708 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -7.576 -7.231 -5.136 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -8.450 -6.078 -6.125 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -4.957 -7.301 -5.367 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -6.885 -4.681 -8.001 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -3.233 -6.609 -7.103 1.00 0.00 H new ATOM 1083 N THR A 71 -9.050 -5.267 -2.396 1.00 0.00 N ATOM 1084 CA THR A 71 -10.325 -5.199 -1.700 1.00 0.00 C ATOM 1085 C THR A 71 -10.668 -3.745 -1.383 1.00 0.00 C ATOM 1086 O THR A 71 -10.030 -3.150 -0.541 1.00 0.00 O ATOM 1087 CB THR A 71 -10.269 -6.016 -0.379 1.00 0.00 C ATOM 1088 OG1 THR A 71 -10.103 -7.409 -0.666 1.00 0.00 O ATOM 1089 CG2 THR A 71 -11.516 -5.810 0.479 1.00 0.00 C ATOM 0 H THR A 71 -8.239 -5.365 -1.786 1.00 0.00 H new ATOM 0 HA THR A 71 -11.093 -5.623 -2.346 1.00 0.00 H new ATOM 0 HB THR A 71 -9.413 -5.653 0.189 1.00 0.00 H new ATOM 0 HG1 THR A 71 -9.151 -7.606 -0.793 1.00 0.00 H new ATOM 0 HG21 THR A 71 -11.432 -6.401 1.391 1.00 0.00 H new ATOM 0 HG22 THR A 71 -11.610 -4.755 0.737 1.00 0.00 H new ATOM 0 HG23 THR A 71 -12.397 -6.127 -0.078 1.00 0.00 H new ATOM 1097 N SER A 72 -11.656 -3.178 -2.080 1.00 0.00 N ATOM 1098 CA SER A 72 -12.067 -1.785 -1.820 1.00 0.00 C ATOM 1099 C SER A 72 -12.488 -1.662 -0.339 1.00 0.00 C ATOM 1100 O SER A 72 -13.024 -2.634 0.239 1.00 0.00 O ATOM 1101 CB SER A 72 -13.244 -1.390 -2.727 1.00 0.00 C ATOM 1102 OG SER A 72 -13.081 -1.945 -4.027 1.00 0.00 O ATOM 0 H SER A 72 -12.182 -3.647 -2.817 1.00 0.00 H new ATOM 0 HA SER A 72 -11.232 -1.117 -2.032 1.00 0.00 H new ATOM 0 HB2 SER A 72 -14.180 -1.740 -2.291 1.00 0.00 H new ATOM 0 HB3 SER A 72 -13.310 -0.304 -2.795 1.00 0.00 H new ATOM 0 HG SER A 72 -13.713 -2.684 -4.149 1.00 0.00 H new ATOM 1108 N PHE A 73 -12.292 -0.486 0.245 1.00 0.00 N ATOM 1109 CA PHE A 73 -12.508 -0.225 1.710 1.00 0.00 C ATOM 1110 C PHE A 73 -13.940 -0.496 2.194 1.00 0.00 C ATOM 1111 O PHE A 73 -14.234 -0.384 3.385 1.00 0.00 O ATOM 1112 CB PHE A 73 -12.173 1.226 2.043 1.00 0.00 C ATOM 1113 CG PHE A 73 -10.938 1.711 1.382 1.00 0.00 C ATOM 1114 CD1 PHE A 73 -9.681 1.402 1.871 1.00 0.00 C ATOM 1115 CD2 PHE A 73 -11.041 2.462 0.232 1.00 0.00 C ATOM 1116 CE1 PHE A 73 -8.560 1.839 1.211 1.00 0.00 C ATOM 1117 CE2 PHE A 73 -9.929 2.897 -0.427 1.00 0.00 C ATOM 1118 CZ PHE A 73 -8.684 2.590 0.057 1.00 0.00 C ATOM 0 H PHE A 73 -11.976 0.337 -0.268 1.00 0.00 H new ATOM 0 HA PHE A 73 -11.846 -0.923 2.222 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -13.008 1.861 1.747 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -12.062 1.327 3.123 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -9.582 0.816 2.773 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -12.018 2.711 -0.154 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -7.580 1.596 1.594 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -10.029 3.483 -1.329 1.00 0.00 H new ATOM 0 HZ PHE A 73 -7.802 2.934 -0.462 1.00 0.00 H new ATOM 1516 N GLY B 115 -9.658 -3.252 8.032 1.00 0.00 N ATOM 1517 CA GLY B 115 -8.421 -3.701 7.383 1.00 0.00 C ATOM 1518 C GLY B 115 -7.821 -2.672 6.420 1.00 0.00 C ATOM 1519 O GLY B 115 -6.790 -2.067 6.732 1.00 0.00 O ATOM 0 HA2 GLY B 115 -7.685 -3.939 8.150 1.00 0.00 H new ATOM 0 HA3 GLY B 115 -8.622 -4.623 6.837 1.00 0.00 H new ATOM 1523 N PRO B 116 -8.436 -2.455 5.251 1.00 0.00 N ATOM 1524 CA PRO B 116 -7.952 -1.474 4.275 1.00 0.00 C ATOM 1525 C PRO B 116 -8.225 0.003 4.702 1.00 0.00 C ATOM 1526 O PRO B 116 -7.450 0.916 4.374 1.00 0.00 O ATOM 1527 CB PRO B 116 -8.728 -1.851 3.005 1.00 0.00 C ATOM 1528 CG PRO B 116 -10.002 -2.423 3.515 1.00 0.00 C ATOM 1529 CD PRO B 116 -9.635 -3.177 4.758 1.00 0.00 C ATOM 0 HA PRO B 116 -6.869 -1.507 4.155 1.00 0.00 H new ATOM 0 HB2 PRO B 116 -8.906 -0.981 2.374 1.00 0.00 H new ATOM 0 HB3 PRO B 116 -8.179 -2.575 2.402 1.00 0.00 H new ATOM 0 HG2 PRO B 116 -10.726 -1.637 3.732 1.00 0.00 H new ATOM 0 HG3 PRO B 116 -10.459 -3.082 2.777 1.00 0.00 H new ATOM 0 HD2 PRO B 116 -10.442 -3.164 5.490 1.00 0.00 H new ATOM 0 HD3 PRO B 116 -9.416 -4.223 4.544 1.00 0.00 H new ATOM 1537 N GLN B 117 -9.294 0.224 5.468 1.00 0.00 N ATOM 1538 CA GLN B 117 -9.681 1.580 5.882 1.00 0.00 C ATOM 1539 C GLN B 117 -8.639 2.180 6.834 1.00 0.00 C ATOM 1540 O GLN B 117 -8.096 3.285 6.612 1.00 0.00 O ATOM 1541 CB GLN B 117 -11.061 1.560 6.544 1.00 0.00 C ATOM 1542 CG GLN B 117 -11.576 2.938 6.891 1.00 0.00 C ATOM 1543 CD GLN B 117 -12.967 2.934 7.476 1.00 0.00 C ATOM 1544 OE1 GLN B 117 -13.706 3.977 7.208 1.00 0.00 O flip ATOM 1545 NE2 GLN B 117 -13.377 1.998 8.158 1.00 0.00 N flip ATOM 0 H GLN B 117 -9.908 -0.513 5.815 1.00 0.00 H new ATOM 0 HA GLN B 117 -9.729 2.208 4.992 1.00 0.00 H new ATOM 0 HB2 GLN B 117 -11.770 1.072 5.875 1.00 0.00 H new ATOM 0 HB3 GLN B 117 -11.013 0.958 7.452 1.00 0.00 H new ATOM 0 HG2 GLN B 117 -10.893 3.403 7.602 1.00 0.00 H new ATOM 0 HG3 GLN B 117 -11.570 3.556 5.993 1.00 0.00 H new ATOM 0 HE21 GLN B 117 -12.770 1.200 8.346 1.00 0.00 H new ATOM 0 HE22 GLN B 117 -14.324 2.019 8.536 1.00 0.00 H new ATOM 1554 N ASP B 118 -8.326 1.421 7.855 1.00 0.00 N ATOM 1555 CA ASP B 118 -7.333 1.801 8.849 1.00 0.00 C ATOM 1556 C ASP B 118 -5.966 1.830 8.197 1.00 0.00 C ATOM 1557 O ASP B 118 -5.067 2.571 8.617 1.00 0.00 O ATOM 1558 CB ASP B 118 -7.368 0.858 10.060 1.00 0.00 C ATOM 1559 CG ASP B 118 -6.381 1.224 11.137 1.00 0.00 C ATOM 1560 OD1 ASP B 118 -6.539 2.282 11.774 1.00 0.00 O ATOM 1561 OD2 ASP B 118 -5.452 0.448 11.399 1.00 0.00 O ATOM 0 H ASP B 118 -8.754 0.511 8.028 1.00 0.00 H new ATOM 0 HA ASP B 118 -7.563 2.797 9.227 1.00 0.00 H new ATOM 0 HB2 ASP B 118 -8.373 0.861 10.483 1.00 0.00 H new ATOM 0 HB3 ASP B 118 -7.166 -0.159 9.724 1.00 0.00 H new ATOM 1566 N PHE B 119 -5.821 1.017 7.142 1.00 0.00 N ATOM 1567 CA PHE B 119 -4.581 0.916 6.395 1.00 0.00 C ATOM 1568 C PHE B 119 -4.245 2.263 5.772 1.00 0.00 C ATOM 1569 O PHE B 119 -3.088 2.632 5.680 1.00 0.00 O ATOM 1570 CB PHE B 119 -4.705 -0.154 5.322 1.00 0.00 C ATOM 1571 CG PHE B 119 -3.412 -0.627 4.772 1.00 0.00 C ATOM 1572 CD1 PHE B 119 -2.557 -1.364 5.571 1.00 0.00 C ATOM 1573 CD2 PHE B 119 -3.058 -0.380 3.460 1.00 0.00 C ATOM 1574 CE1 PHE B 119 -1.373 -1.842 5.085 1.00 0.00 C ATOM 1575 CE2 PHE B 119 -1.863 -0.856 2.967 1.00 0.00 C ATOM 1576 CZ PHE B 119 -1.025 -1.592 3.784 1.00 0.00 C ATOM 0 H PHE B 119 -6.566 0.415 6.790 1.00 0.00 H new ATOM 0 HA PHE B 119 -3.775 0.633 7.072 1.00 0.00 H new ATOM 0 HB2 PHE B 119 -5.242 -1.007 5.738 1.00 0.00 H new ATOM 0 HB3 PHE B 119 -5.311 0.237 4.505 1.00 0.00 H new ATOM 0 HD1 PHE B 119 -2.830 -1.565 6.596 1.00 0.00 H new ATOM 0 HD2 PHE B 119 -3.718 0.187 2.820 1.00 0.00 H new ATOM 0 HE1 PHE B 119 -0.715 -2.414 5.723 1.00 0.00 H new ATOM 0 HE2 PHE B 119 -1.581 -0.655 1.944 1.00 0.00 H new ATOM 0 HZ PHE B 119 -0.092 -1.972 3.395 1.00 0.00 H new ATOM 1586 N LEU B 120 -5.270 2.994 5.368 1.00 0.00 N ATOM 1587 CA LEU B 120 -5.088 4.340 4.855 1.00 0.00 C ATOM 1588 C LEU B 120 -4.691 5.273 5.962 1.00 0.00 C ATOM 1589 O LEU B 120 -3.700 5.966 5.870 1.00 0.00 O ATOM 1590 CB LEU B 120 -6.370 4.877 4.254 1.00 0.00 C ATOM 1591 CG LEU B 120 -6.939 4.140 3.082 1.00 0.00 C ATOM 1592 CD1 LEU B 120 -8.219 4.811 2.648 1.00 0.00 C ATOM 1593 CD2 LEU B 120 -5.941 4.100 1.942 1.00 0.00 C ATOM 0 H LEU B 120 -6.239 2.676 5.386 1.00 0.00 H new ATOM 0 HA LEU B 120 -4.311 4.286 4.093 1.00 0.00 H new ATOM 0 HB2 LEU B 120 -7.127 4.900 5.038 1.00 0.00 H new ATOM 0 HB3 LEU B 120 -6.194 5.909 3.951 1.00 0.00 H new ATOM 0 HG LEU B 120 -7.154 3.112 3.372 1.00 0.00 H new ATOM 0 HD11 LEU B 120 -8.638 4.278 1.794 1.00 0.00 H new ATOM 0 HD12 LEU B 120 -8.934 4.797 3.471 1.00 0.00 H new ATOM 0 HD13 LEU B 120 -8.011 5.843 2.365 1.00 0.00 H new ATOM 0 HD21 LEU B 120 -6.373 3.560 1.099 1.00 0.00 H new ATOM 0 HD22 LEU B 120 -5.698 5.117 1.635 1.00 0.00 H new ATOM 0 HD23 LEU B 120 -5.033 3.594 2.271 1.00 0.00 H new ATOM 1605 N LEU B 121 -5.457 5.258 7.033 1.00 0.00 N ATOM 1606 CA LEU B 121 -5.273 6.203 8.147 1.00 0.00 C ATOM 1607 C LEU B 121 -3.897 6.119 8.819 1.00 0.00 C ATOM 1608 O LEU B 121 -3.481 7.048 9.531 1.00 0.00 O ATOM 1609 CB LEU B 121 -6.370 6.023 9.171 1.00 0.00 C ATOM 1610 CG LEU B 121 -7.781 6.280 8.667 1.00 0.00 C ATOM 1611 CD1 LEU B 121 -8.785 5.862 9.703 1.00 0.00 C ATOM 1612 CD2 LEU B 121 -7.959 7.748 8.359 1.00 0.00 C ATOM 0 H LEU B 121 -6.224 4.600 7.169 1.00 0.00 H new ATOM 0 HA LEU B 121 -5.330 7.199 7.708 1.00 0.00 H new ATOM 0 HB2 LEU B 121 -6.320 5.005 9.557 1.00 0.00 H new ATOM 0 HB3 LEU B 121 -6.174 6.692 10.009 1.00 0.00 H new ATOM 0 HG LEU B 121 -7.939 5.697 7.759 1.00 0.00 H new ATOM 0 HD11 LEU B 121 -9.792 6.051 9.331 1.00 0.00 H new ATOM 0 HD12 LEU B 121 -8.669 4.799 9.914 1.00 0.00 H new ATOM 0 HD13 LEU B 121 -8.623 6.433 10.617 1.00 0.00 H new ATOM 0 HD21 LEU B 121 -8.973 7.924 7.998 1.00 0.00 H new ATOM 0 HD22 LEU B 121 -7.789 8.333 9.263 1.00 0.00 H new ATOM 0 HD23 LEU B 121 -7.244 8.048 7.593 1.00 0.00 H new ATOM 1624 N LYS B 122 -3.202 5.043 8.604 1.00 0.00 N ATOM 1625 CA LYS B 122 -1.877 4.869 9.173 1.00 0.00 C ATOM 1626 C LYS B 122 -0.784 5.289 8.195 1.00 0.00 C ATOM 1627 O LYS B 122 0.416 5.154 8.491 1.00 0.00 O ATOM 1628 CB LYS B 122 -1.658 3.438 9.580 1.00 0.00 C ATOM 1629 CG LYS B 122 -1.735 2.480 8.433 1.00 0.00 C ATOM 1630 CD LYS B 122 -1.398 1.077 8.838 1.00 0.00 C ATOM 1631 CE LYS B 122 -2.572 0.322 9.524 1.00 0.00 C ATOM 1632 NZ LYS B 122 -2.967 0.872 10.846 1.00 0.00 N ATOM 0 H LYS B 122 -3.524 4.260 8.035 1.00 0.00 H new ATOM 0 HA LYS B 122 -1.819 5.511 10.052 1.00 0.00 H new ATOM 0 HB2 LYS B 122 -0.681 3.348 10.055 1.00 0.00 H new ATOM 0 HB3 LYS B 122 -2.403 3.161 10.327 1.00 0.00 H new ATOM 0 HG2 LYS B 122 -2.740 2.502 8.011 1.00 0.00 H new ATOM 0 HG3 LYS B 122 -1.052 2.803 7.647 1.00 0.00 H new ATOM 0 HD2 LYS B 122 -1.086 0.519 7.955 1.00 0.00 H new ATOM 0 HD3 LYS B 122 -0.546 1.100 9.518 1.00 0.00 H new ATOM 0 HE2 LYS B 122 -3.438 0.343 8.862 1.00 0.00 H new ATOM 0 HE3 LYS B 122 -2.292 -0.724 9.648 1.00 0.00 H new ATOM 0 HZ1 LYS B 122 -3.695 0.263 11.272 1.00 0.00 H new ATOM 0 HZ2 LYS B 122 -2.136 0.906 11.470 1.00 0.00 H new ATOM 0 HZ3 LYS B 122 -3.347 1.832 10.723 1.00 0.00 H new ATOM 1646 N MET B 123 -1.177 5.766 7.038 1.00 0.00 N ATOM 1647 CA MET B 123 -0.217 6.183 6.046 1.00 0.00 C ATOM 1648 C MET B 123 0.153 7.656 6.294 1.00 0.00 C ATOM 1649 O MET B 123 -0.710 8.455 6.718 1.00 0.00 O ATOM 1650 CB MET B 123 -0.783 6.056 4.624 1.00 0.00 C ATOM 1651 CG MET B 123 -1.274 4.674 4.219 1.00 0.00 C ATOM 1652 SD MET B 123 -1.828 4.655 2.499 1.00 0.00 S ATOM 1653 CE MET B 123 -2.319 2.950 2.284 1.00 0.00 C ATOM 0 H MET B 123 -2.153 5.875 6.761 1.00 0.00 H new ATOM 0 HA MET B 123 0.658 5.538 6.131 1.00 0.00 H new ATOM 0 HB2 MET B 123 -1.610 6.758 4.520 1.00 0.00 H new ATOM 0 HB3 MET B 123 -0.012 6.366 3.919 1.00 0.00 H new ATOM 0 HG2 MET B 123 -0.473 3.947 4.354 1.00 0.00 H new ATOM 0 HG3 MET B 123 -2.093 4.371 4.871 1.00 0.00 H new ATOM 0 HE1 MET B 123 -3.032 2.878 1.463 1.00 0.00 H new ATOM 0 HE2 MET B 123 -1.442 2.345 2.057 1.00 0.00 H new ATOM 0 HE3 MET B 123 -2.783 2.587 3.201 1.00 0.00 H new ATOM 1663 N PRO B 124 1.423 8.041 6.082 1.00 0.00 N ATOM 1664 CA PRO B 124 1.854 9.434 6.230 1.00 0.00 C ATOM 1665 C PRO B 124 1.207 10.326 5.171 1.00 0.00 C ATOM 1666 O PRO B 124 1.371 10.103 3.975 1.00 0.00 O ATOM 1667 CB PRO B 124 3.376 9.383 6.030 1.00 0.00 C ATOM 1668 CG PRO B 124 3.633 8.109 5.305 1.00 0.00 C ATOM 1669 CD PRO B 124 2.537 7.158 5.698 1.00 0.00 C ATOM 0 HA PRO B 124 1.568 9.852 7.195 1.00 0.00 H new ATOM 0 HB2 PRO B 124 3.726 10.240 5.455 1.00 0.00 H new ATOM 0 HB3 PRO B 124 3.899 9.404 6.986 1.00 0.00 H new ATOM 0 HG2 PRO B 124 3.636 8.271 4.227 1.00 0.00 H new ATOM 0 HG3 PRO B 124 4.610 7.704 5.569 1.00 0.00 H new ATOM 0 HD2 PRO B 124 2.261 6.503 4.872 1.00 0.00 H new ATOM 0 HD3 PRO B 124 2.842 6.517 6.525 1.00 0.00 H new ATOM 1677 N GLY B 125 0.452 11.306 5.616 1.00 0.00 N ATOM 1678 CA GLY B 125 -0.218 12.191 4.707 1.00 0.00 C ATOM 1679 C GLY B 125 -1.717 12.032 4.817 1.00 0.00 C ATOM 1680 O GLY B 125 -2.484 12.900 4.422 1.00 0.00 O ATOM 0 H GLY B 125 0.291 11.505 6.603 1.00 0.00 H new ATOM 0 HA2 GLY B 125 0.061 13.222 4.923 1.00 0.00 H new ATOM 0 HA3 GLY B 125 0.101 11.982 3.686 1.00 0.00 H new ATOM 1684 N VAL B 126 -2.132 10.929 5.385 1.00 0.00 N ATOM 1685 CA VAL B 126 -3.529 10.611 5.491 1.00 0.00 C ATOM 1686 C VAL B 126 -4.118 11.031 6.836 1.00 0.00 C ATOM 1687 O VAL B 126 -3.553 10.767 7.907 1.00 0.00 O ATOM 1688 CB VAL B 126 -3.789 9.104 5.236 1.00 0.00 C ATOM 1689 CG1 VAL B 126 -5.269 8.757 5.379 1.00 0.00 C ATOM 1690 CG2 VAL B 126 -3.285 8.711 3.855 1.00 0.00 C ATOM 0 H VAL B 126 -1.510 10.227 5.786 1.00 0.00 H new ATOM 0 HA VAL B 126 -4.035 11.185 4.715 1.00 0.00 H new ATOM 0 HB VAL B 126 -3.242 8.539 5.991 1.00 0.00 H new ATOM 0 HG11 VAL B 126 -5.413 7.693 5.193 1.00 0.00 H new ATOM 0 HG12 VAL B 126 -5.603 8.998 6.388 1.00 0.00 H new ATOM 0 HG13 VAL B 126 -5.849 9.333 4.658 1.00 0.00 H new ATOM 0 HG21 VAL B 126 -3.473 7.651 3.687 1.00 0.00 H new ATOM 0 HG22 VAL B 126 -3.806 9.296 3.097 1.00 0.00 H new ATOM 0 HG23 VAL B 126 -2.214 8.904 3.790 1.00 0.00 H new ATOM 1700 N ASN B 127 -5.256 11.668 6.749 1.00 0.00 N ATOM 1701 CA ASN B 127 -6.050 12.096 7.881 1.00 0.00 C ATOM 1702 C ASN B 127 -7.421 11.575 7.633 1.00 0.00 C ATOM 1703 O ASN B 127 -7.743 11.285 6.490 1.00 0.00 O ATOM 1704 CB ASN B 127 -6.132 13.631 8.004 1.00 0.00 C ATOM 1705 CG ASN B 127 -4.819 14.293 8.314 1.00 0.00 C ATOM 1706 OD1 ASN B 127 -4.446 14.436 9.476 1.00 0.00 O ATOM 1707 ND2 ASN B 127 -4.155 14.773 7.305 1.00 0.00 N ATOM 0 H ASN B 127 -5.676 11.915 5.853 1.00 0.00 H new ATOM 0 HA ASN B 127 -5.598 11.726 8.801 1.00 0.00 H new ATOM 0 HB2 ASN B 127 -6.521 14.039 7.071 1.00 0.00 H new ATOM 0 HB3 ASN B 127 -6.848 13.884 8.786 1.00 0.00 H new ATOM 0 HD21 ASN B 127 -3.290 15.290 7.463 1.00 0.00 H new ATOM 0 HD22 ASN B 127 -4.499 14.632 6.355 1.00 0.00 H new ATOM 1714 N ALA B 128 -8.250 11.502 8.644 1.00 0.00 N ATOM 1715 CA ALA B 128 -9.591 10.953 8.490 1.00 0.00 C ATOM 1716 C ALA B 128 -10.429 11.743 7.487 1.00 0.00 C ATOM 1717 O ALA B 128 -11.327 11.185 6.843 1.00 0.00 O ATOM 1718 CB ALA B 128 -10.297 10.839 9.831 1.00 0.00 C ATOM 0 H ALA B 128 -8.027 11.815 9.589 1.00 0.00 H new ATOM 0 HA ALA B 128 -9.477 9.948 8.084 1.00 0.00 H new ATOM 0 HB1 ALA B 128 -11.295 10.426 9.683 1.00 0.00 H new ATOM 0 HB2 ALA B 128 -9.727 10.182 10.488 1.00 0.00 H new ATOM 0 HB3 ALA B 128 -10.377 11.827 10.285 1.00 0.00 H new ATOM 1724 N LYS B 129 -10.092 13.011 7.285 1.00 0.00 N ATOM 1725 CA LYS B 129 -10.866 13.818 6.374 1.00 0.00 C ATOM 1726 C LYS B 129 -10.459 13.551 4.936 1.00 0.00 C ATOM 1727 O LYS B 129 -11.293 13.390 4.034 1.00 0.00 O ATOM 1728 CB LYS B 129 -10.780 15.309 6.714 1.00 0.00 C ATOM 1729 CG LYS B 129 -9.389 15.945 6.678 1.00 0.00 C ATOM 1730 CD LYS B 129 -9.526 17.450 6.809 1.00 0.00 C ATOM 1731 CE LYS B 129 -8.193 18.166 6.787 1.00 0.00 C ATOM 1732 NZ LYS B 129 -7.461 18.054 8.062 1.00 0.00 N ATOM 0 H LYS B 129 -9.307 13.486 7.731 1.00 0.00 H new ATOM 0 HA LYS B 129 -11.911 13.529 6.488 1.00 0.00 H new ATOM 0 HB2 LYS B 129 -11.421 15.853 6.020 1.00 0.00 H new ATOM 0 HB3 LYS B 129 -11.195 15.455 7.712 1.00 0.00 H new ATOM 0 HG2 LYS B 129 -8.775 15.552 7.488 1.00 0.00 H new ATOM 0 HG3 LYS B 129 -8.885 15.693 5.745 1.00 0.00 H new ATOM 0 HD2 LYS B 129 -10.148 17.825 5.996 1.00 0.00 H new ATOM 0 HD3 LYS B 129 -10.043 17.683 7.740 1.00 0.00 H new ATOM 0 HE2 LYS B 129 -7.580 17.757 5.984 1.00 0.00 H new ATOM 0 HE3 LYS B 129 -8.356 19.219 6.558 1.00 0.00 H new ATOM 0 HZ1 LYS B 129 -6.557 18.563 7.989 1.00 0.00 H new ATOM 0 HZ2 LYS B 129 -8.031 18.469 8.827 1.00 0.00 H new ATOM 0 HZ3 LYS B 129 -7.279 17.052 8.271 1.00 0.00 H new ATOM 1746 N ASN B 130 -9.194 13.399 4.721 1.00 0.00 N ATOM 1747 CA ASN B 130 -8.753 13.211 3.379 1.00 0.00 C ATOM 1748 C ASN B 130 -8.900 11.759 2.982 1.00 0.00 C ATOM 1749 O ASN B 130 -8.965 11.435 1.823 1.00 0.00 O ATOM 1750 CB ASN B 130 -7.343 13.780 3.124 1.00 0.00 C ATOM 1751 CG ASN B 130 -6.182 13.093 3.852 1.00 0.00 C ATOM 1752 OD1 ASN B 130 -6.218 11.927 4.164 1.00 0.00 O ATOM 1753 ND2 ASN B 130 -5.140 13.830 4.115 1.00 0.00 N ATOM 0 H ASN B 130 -8.465 13.401 5.435 1.00 0.00 H new ATOM 0 HA ASN B 130 -9.400 13.796 2.725 1.00 0.00 H new ATOM 0 HB2 ASN B 130 -7.147 13.736 2.053 1.00 0.00 H new ATOM 0 HB3 ASN B 130 -7.345 14.833 3.405 1.00 0.00 H new ATOM 0 HD21 ASN B 130 -4.335 13.424 4.593 1.00 0.00 H new ATOM 0 HD22 ASN B 130 -5.129 14.813 3.843 1.00 0.00 H new ATOM 1760 N CYS B 131 -9.008 10.915 3.987 1.00 0.00 N ATOM 1761 CA CYS B 131 -9.215 9.501 3.831 1.00 0.00 C ATOM 1762 C CYS B 131 -10.625 9.219 3.364 1.00 0.00 C ATOM 1763 O CYS B 131 -10.817 8.382 2.525 1.00 0.00 O ATOM 1764 CB CYS B 131 -8.959 8.790 5.148 1.00 0.00 C ATOM 1765 SG CYS B 131 -9.167 7.003 5.120 1.00 0.00 S ATOM 0 H CYS B 131 -8.952 11.209 4.962 1.00 0.00 H new ATOM 0 HA CYS B 131 -8.517 9.131 3.080 1.00 0.00 H new ATOM 0 HB2 CYS B 131 -7.942 9.014 5.470 1.00 0.00 H new ATOM 0 HB3 CYS B 131 -9.630 9.204 5.900 1.00 0.00 H new ATOM 0 HG CYS B 131 -9.340 6.567 6.333 1.00 0.00 H new ATOM 1771 N ARG B 132 -11.613 9.929 3.907 1.00 0.00 N ATOM 1772 CA ARG B 132 -13.004 9.734 3.473 1.00 0.00 C ATOM 1773 C ARG B 132 -13.147 10.154 2.028 1.00 0.00 C ATOM 1774 O ARG B 132 -13.752 9.444 1.194 1.00 0.00 O ATOM 1775 CB ARG B 132 -13.989 10.485 4.394 1.00 0.00 C ATOM 1776 CG ARG B 132 -13.768 11.988 4.511 1.00 0.00 C ATOM 1777 CD ARG B 132 -14.594 12.817 3.522 1.00 0.00 C ATOM 1778 NE ARG B 132 -16.027 12.615 3.675 1.00 0.00 N ATOM 1779 CZ ARG B 132 -16.968 13.522 3.397 1.00 0.00 C ATOM 1780 NH1 ARG B 132 -16.632 14.784 3.097 1.00 0.00 N ATOM 1781 NH2 ARG B 132 -18.246 13.168 3.458 1.00 0.00 N ATOM 0 H ARG B 132 -11.485 10.632 4.635 1.00 0.00 H new ATOM 0 HA ARG B 132 -13.256 8.676 3.549 1.00 0.00 H new ATOM 0 HB2 ARG B 132 -15.002 10.312 4.030 1.00 0.00 H new ATOM 0 HB3 ARG B 132 -13.930 10.049 5.391 1.00 0.00 H new ATOM 0 HG2 ARG B 132 -14.011 12.303 5.526 1.00 0.00 H new ATOM 0 HG3 ARG B 132 -12.711 12.203 4.356 1.00 0.00 H new ATOM 0 HD2 ARG B 132 -14.364 13.874 3.660 1.00 0.00 H new ATOM 0 HD3 ARG B 132 -14.302 12.557 2.505 1.00 0.00 H new ATOM 0 HE ARG B 132 -16.338 11.708 4.022 1.00 0.00 H new ATOM 0 HH11 ARG B 132 -15.650 15.060 3.079 1.00 0.00 H new ATOM 0 HH12 ARG B 132 -17.358 15.469 2.886 1.00 0.00 H new ATOM 0 HH21 ARG B 132 -18.499 12.214 3.715 1.00 0.00 H new ATOM 0 HH22 ARG B 132 -18.975 13.850 3.248 1.00 0.00 H new ATOM 1795 N SER B 133 -12.541 11.279 1.715 1.00 0.00 N ATOM 1796 CA SER B 133 -12.538 11.771 0.382 1.00 0.00 C ATOM 1797 C SER B 133 -11.788 10.793 -0.536 1.00 0.00 C ATOM 1798 O SER B 133 -12.235 10.457 -1.650 1.00 0.00 O ATOM 1799 CB SER B 133 -11.902 13.146 0.381 1.00 0.00 C ATOM 1800 OG SER B 133 -12.658 14.053 1.177 1.00 0.00 O ATOM 0 H SER B 133 -12.043 11.866 2.384 1.00 0.00 H new ATOM 0 HA SER B 133 -13.555 11.855 -0.000 1.00 0.00 H new ATOM 0 HB2 SER B 133 -10.884 13.081 0.764 1.00 0.00 H new ATOM 0 HB3 SER B 133 -11.835 13.520 -0.641 1.00 0.00 H new ATOM 0 HG SER B 133 -12.370 13.986 2.111 1.00 0.00 H new ATOM 1806 N LEU B 134 -10.692 10.279 -0.024 1.00 0.00 N ATOM 1807 CA LEU B 134 -9.853 9.343 -0.757 1.00 0.00 C ATOM 1808 C LEU B 134 -10.629 8.103 -1.063 1.00 0.00 C ATOM 1809 O LEU B 134 -10.667 7.658 -2.168 1.00 0.00 O ATOM 1810 CB LEU B 134 -8.647 8.940 0.064 1.00 0.00 C ATOM 1811 CG LEU B 134 -7.574 8.172 -0.687 1.00 0.00 C ATOM 1812 CD1 LEU B 134 -6.710 9.072 -1.547 1.00 0.00 C ATOM 1813 CD2 LEU B 134 -6.765 7.326 0.239 1.00 0.00 C ATOM 0 H LEU B 134 -10.352 10.495 0.913 1.00 0.00 H new ATOM 0 HA LEU B 134 -9.527 9.836 -1.673 1.00 0.00 H new ATOM 0 HB2 LEU B 134 -8.198 9.840 0.485 1.00 0.00 H new ATOM 0 HB3 LEU B 134 -8.986 8.331 0.902 1.00 0.00 H new ATOM 0 HG LEU B 134 -8.085 7.500 -1.377 1.00 0.00 H new ATOM 0 HD11 LEU B 134 -5.959 8.472 -2.062 1.00 0.00 H new ATOM 0 HD12 LEU B 134 -7.334 9.581 -2.282 1.00 0.00 H new ATOM 0 HD13 LEU B 134 -6.214 9.811 -0.917 1.00 0.00 H new ATOM 0 HD21 LEU B 134 -6.005 6.789 -0.329 1.00 0.00 H new ATOM 0 HD22 LEU B 134 -6.282 7.960 0.982 1.00 0.00 H new ATOM 0 HD23 LEU B 134 -7.416 6.611 0.741 1.00 0.00 H new ATOM 1825 N MET B 135 -11.296 7.629 -0.067 1.00 0.00 N ATOM 1826 CA MET B 135 -12.060 6.401 -0.068 1.00 0.00 C ATOM 1827 C MET B 135 -13.145 6.435 -1.119 1.00 0.00 C ATOM 1828 O MET B 135 -13.557 5.418 -1.634 1.00 0.00 O ATOM 1829 CB MET B 135 -12.639 6.248 1.313 1.00 0.00 C ATOM 1830 CG MET B 135 -13.212 4.910 1.657 1.00 0.00 C ATOM 1831 SD MET B 135 -13.616 4.827 3.411 1.00 0.00 S ATOM 1832 CE MET B 135 -12.013 5.192 4.145 1.00 0.00 C ATOM 0 H MET B 135 -11.333 8.109 0.832 1.00 0.00 H new ATOM 0 HA MET B 135 -11.425 5.550 -0.314 1.00 0.00 H new ATOM 0 HB2 MET B 135 -11.858 6.480 2.037 1.00 0.00 H new ATOM 0 HB3 MET B 135 -13.422 6.996 1.438 1.00 0.00 H new ATOM 0 HG2 MET B 135 -14.107 4.728 1.063 1.00 0.00 H new ATOM 0 HG3 MET B 135 -12.497 4.126 1.405 1.00 0.00 H new ATOM 0 HE1 MET B 135 -12.077 5.091 5.228 1.00 0.00 H new ATOM 0 HE2 MET B 135 -11.269 4.495 3.759 1.00 0.00 H new ATOM 0 HE3 MET B 135 -11.721 6.211 3.893 1.00 0.00 H new ATOM 1842 N HIS B 136 -13.629 7.618 -1.402 1.00 0.00 N ATOM 1843 CA HIS B 136 -14.620 7.777 -2.437 1.00 0.00 C ATOM 1844 C HIS B 136 -13.998 8.080 -3.798 1.00 0.00 C ATOM 1845 O HIS B 136 -14.685 8.041 -4.817 1.00 0.00 O ATOM 1846 CB HIS B 136 -15.673 8.807 -2.055 1.00 0.00 C ATOM 1847 CG HIS B 136 -16.631 8.314 -1.002 1.00 0.00 C ATOM 1848 ND1 HIS B 136 -17.996 8.366 -1.142 1.00 0.00 N ATOM 1849 CD2 HIS B 136 -16.407 7.745 0.208 1.00 0.00 C ATOM 1850 CE1 HIS B 136 -18.568 7.851 -0.071 1.00 0.00 C ATOM 1851 NE2 HIS B 136 -17.626 7.466 0.761 1.00 0.00 N ATOM 0 H HIS B 136 -13.355 8.481 -0.933 1.00 0.00 H new ATOM 0 HA HIS B 136 -15.126 6.816 -2.534 1.00 0.00 H new ATOM 0 HB2 HIS B 136 -15.177 9.707 -1.693 1.00 0.00 H new ATOM 0 HB3 HIS B 136 -16.235 9.089 -2.945 1.00 0.00 H new ATOM 0 HD2 HIS B 136 -15.443 7.548 0.653 1.00 0.00 H new ATOM 0 HE1 HIS B 136 -19.631 7.761 0.095 1.00 0.00 H new ATOM 0 HE2 HIS B 136 -17.779 7.030 1.670 1.00 0.00 H new ATOM 1860 N HIS B 137 -12.710 8.392 -3.822 1.00 0.00 N ATOM 1861 CA HIS B 137 -12.011 8.641 -5.093 1.00 0.00 C ATOM 1862 C HIS B 137 -11.157 7.467 -5.534 1.00 0.00 C ATOM 1863 O HIS B 137 -10.747 7.394 -6.695 1.00 0.00 O ATOM 1864 CB HIS B 137 -11.123 9.875 -5.025 1.00 0.00 C ATOM 1865 CG HIS B 137 -11.827 11.174 -5.171 1.00 0.00 C ATOM 1866 ND1 HIS B 137 -12.581 11.874 -4.310 1.00 0.00 N flip ATOM 1867 CD2 HIS B 137 -11.747 11.934 -6.310 1.00 0.00 C flip ATOM 1868 CE1 HIS B 137 -12.936 13.029 -4.934 1.00 0.00 C flip ATOM 1869 NE2 HIS B 137 -12.420 13.040 -6.136 1.00 0.00 N flip ATOM 0 H HIS B 137 -12.126 8.480 -2.991 1.00 0.00 H new ATOM 0 HA HIS B 137 -12.805 8.797 -5.823 1.00 0.00 H new ATOM 0 HB2 HIS B 137 -10.597 9.871 -4.070 1.00 0.00 H new ATOM 0 HB3 HIS B 137 -10.366 9.801 -5.806 1.00 0.00 H new ATOM 0 HD1 HIS B 137 -12.840 11.593 -3.364 1.00 0.00 H new ATOM 0 HD2 HIS B 137 -11.213 11.661 -7.208 1.00 0.00 H new ATOM 0 HE1 HIS B 137 -13.546 13.811 -4.506 1.00 0.00 H new ATOM 1878 N VAL B 138 -10.881 6.570 -4.639 1.00 0.00 N ATOM 1879 CA VAL B 138 -10.004 5.470 -4.940 1.00 0.00 C ATOM 1880 C VAL B 138 -10.650 4.147 -4.524 1.00 0.00 C ATOM 1881 O VAL B 138 -11.501 4.123 -3.646 1.00 0.00 O ATOM 1882 CB VAL B 138 -8.603 5.663 -4.255 1.00 0.00 C ATOM 1883 CG1 VAL B 138 -8.639 5.486 -2.757 1.00 0.00 C ATOM 1884 CG2 VAL B 138 -7.580 4.777 -4.858 1.00 0.00 C ATOM 0 H VAL B 138 -11.250 6.574 -3.688 1.00 0.00 H new ATOM 0 HA VAL B 138 -9.839 5.443 -6.017 1.00 0.00 H new ATOM 0 HB VAL B 138 -8.325 6.700 -4.441 1.00 0.00 H new ATOM 0 HG11 VAL B 138 -7.639 5.633 -2.349 1.00 0.00 H new ATOM 0 HG12 VAL B 138 -9.320 6.217 -2.321 1.00 0.00 H new ATOM 0 HG13 VAL B 138 -8.984 4.480 -2.518 1.00 0.00 H new ATOM 0 HG21 VAL B 138 -6.623 4.936 -4.361 1.00 0.00 H new ATOM 0 HG22 VAL B 138 -7.883 3.737 -4.738 1.00 0.00 H new ATOM 0 HG23 VAL B 138 -7.480 5.006 -5.919 1.00 0.00 H new ATOM 1894 N LYS B 139 -10.266 3.065 -5.190 1.00 0.00 N ATOM 1895 CA LYS B 139 -10.800 1.747 -4.891 1.00 0.00 C ATOM 1896 C LYS B 139 -10.182 1.209 -3.613 1.00 0.00 C ATOM 1897 O LYS B 139 -10.872 0.936 -2.640 1.00 0.00 O ATOM 1898 CB LYS B 139 -10.514 0.793 -6.053 1.00 0.00 C ATOM 1899 CG LYS B 139 -10.943 -0.635 -5.795 1.00 0.00 C ATOM 1900 CD LYS B 139 -10.591 -1.561 -6.939 1.00 0.00 C ATOM 1901 CE LYS B 139 -10.903 -3.006 -6.581 1.00 0.00 C ATOM 1902 NZ LYS B 139 -12.352 -3.249 -6.376 1.00 0.00 N ATOM 0 H LYS B 139 -9.581 3.078 -5.946 1.00 0.00 H new ATOM 0 HA LYS B 139 -11.878 1.826 -4.753 1.00 0.00 H new ATOM 0 HB2 LYS B 139 -11.023 1.159 -6.944 1.00 0.00 H new ATOM 0 HB3 LYS B 139 -9.445 0.808 -6.267 1.00 0.00 H new ATOM 0 HG2 LYS B 139 -10.469 -0.994 -4.882 1.00 0.00 H new ATOM 0 HG3 LYS B 139 -12.020 -0.663 -5.627 1.00 0.00 H new ATOM 0 HD2 LYS B 139 -11.149 -1.274 -7.830 1.00 0.00 H new ATOM 0 HD3 LYS B 139 -9.533 -1.462 -7.180 1.00 0.00 H new ATOM 0 HE2 LYS B 139 -10.539 -3.659 -7.374 1.00 0.00 H new ATOM 0 HE3 LYS B 139 -10.362 -3.275 -5.674 1.00 0.00 H new ATOM 0 HZ1 LYS B 139 -12.517 -4.266 -6.235 1.00 0.00 H new ATOM 0 HZ2 LYS B 139 -12.676 -2.726 -5.537 1.00 0.00 H new ATOM 0 HZ3 LYS B 139 -12.880 -2.925 -7.211 1.00 0.00 H new ATOM 1916 N ASN B 140 -8.889 1.020 -3.664 1.00 0.00 N ATOM 1917 CA ASN B 140 -8.100 0.573 -2.568 1.00 0.00 C ATOM 1918 C ASN B 140 -6.641 0.832 -2.949 1.00 0.00 C ATOM 1919 O ASN B 140 -6.388 1.479 -3.982 1.00 0.00 O ATOM 1920 CB ASN B 140 -8.334 -0.933 -2.335 1.00 0.00 C ATOM 1921 CG ASN B 140 -7.682 -1.460 -1.071 1.00 0.00 C ATOM 1922 OD1 ASN B 140 -7.522 -0.756 -0.096 1.00 0.00 O ATOM 1923 ND2 ASN B 140 -7.247 -2.651 -1.124 1.00 0.00 N ATOM 0 H ASN B 140 -8.343 1.183 -4.510 1.00 0.00 H new ATOM 0 HA ASN B 140 -8.362 1.096 -1.648 1.00 0.00 H new ATOM 0 HB2 ASN B 140 -9.406 -1.122 -2.287 1.00 0.00 H new ATOM 0 HB3 ASN B 140 -7.950 -1.489 -3.191 1.00 0.00 H new ATOM 0 HD21 ASN B 140 -6.744 -3.046 -0.330 1.00 0.00 H new ATOM 0 HD22 ASN B 140 -7.401 -3.213 -1.961 1.00 0.00 H new ATOM 1930 N ILE B 141 -5.735 0.316 -2.136 1.00 0.00 N ATOM 1931 CA ILE B 141 -4.274 0.324 -2.271 1.00 0.00 C ATOM 1932 C ILE B 141 -3.788 0.383 -3.735 1.00 0.00 C ATOM 1933 O ILE B 141 -3.032 1.281 -4.086 1.00 0.00 O ATOM 1934 CB ILE B 141 -3.742 -0.982 -1.647 1.00 0.00 C ATOM 1935 CG1 ILE B 141 -4.118 -1.067 -0.162 1.00 0.00 C ATOM 1936 CG2 ILE B 141 -2.220 -1.117 -1.829 1.00 0.00 C ATOM 1937 CD1 ILE B 141 -3.788 -2.394 0.482 1.00 0.00 C ATOM 0 H ILE B 141 -6.022 -0.165 -1.284 1.00 0.00 H new ATOM 0 HA ILE B 141 -3.904 1.221 -1.774 1.00 0.00 H new ATOM 0 HB ILE B 141 -4.213 -1.813 -2.172 1.00 0.00 H new ATOM 0 HG12 ILE B 141 -3.601 -0.274 0.379 1.00 0.00 H new ATOM 0 HG13 ILE B 141 -5.187 -0.880 -0.057 1.00 0.00 H new ATOM 0 HG21 ILE B 141 -1.881 -2.049 -1.377 1.00 0.00 H new ATOM 0 HG22 ILE B 141 -1.980 -1.121 -2.892 1.00 0.00 H new ATOM 0 HG23 ILE B 141 -1.720 -0.277 -1.347 1.00 0.00 H new ATOM 0 HD11 ILE B 141 -4.084 -2.373 1.531 1.00 0.00 H new ATOM 0 HD12 ILE B 141 -4.326 -3.191 -0.031 1.00 0.00 H new ATOM 0 HD13 ILE B 141 -2.716 -2.576 0.412 1.00 0.00 H new ATOM 1949 N ALA B 142 -4.229 -0.581 -4.575 1.00 0.00 N ATOM 1950 CA ALA B 142 -3.795 -0.622 -5.997 1.00 0.00 C ATOM 1951 C ALA B 142 -4.011 0.704 -6.739 1.00 0.00 C ATOM 1952 O ALA B 142 -3.068 1.276 -7.270 1.00 0.00 O ATOM 1953 CB ALA B 142 -4.458 -1.764 -6.739 1.00 0.00 C ATOM 0 H ALA B 142 -4.870 -1.327 -4.305 1.00 0.00 H new ATOM 0 HA ALA B 142 -2.719 -0.792 -5.976 1.00 0.00 H new ATOM 0 HB1 ALA B 142 -4.121 -1.768 -7.776 1.00 0.00 H new ATOM 0 HB2 ALA B 142 -4.190 -2.709 -6.267 1.00 0.00 H new ATOM 0 HB3 ALA B 142 -5.540 -1.637 -6.709 1.00 0.00 H new ATOM 1959 N GLU B 143 -5.225 1.219 -6.700 1.00 0.00 N ATOM 1960 CA GLU B 143 -5.546 2.461 -7.387 1.00 0.00 C ATOM 1961 C GLU B 143 -4.888 3.623 -6.682 1.00 0.00 C ATOM 1962 O GLU B 143 -4.505 4.569 -7.307 1.00 0.00 O ATOM 1963 CB GLU B 143 -7.057 2.654 -7.453 1.00 0.00 C ATOM 1964 CG GLU B 143 -7.803 1.579 -8.218 1.00 0.00 C ATOM 1965 CD GLU B 143 -7.449 1.543 -9.678 1.00 0.00 C ATOM 1966 OE1 GLU B 143 -8.026 2.328 -10.453 1.00 0.00 O ATOM 1967 OE2 GLU B 143 -6.617 0.710 -10.082 1.00 0.00 O ATOM 0 H GLU B 143 -6.008 0.798 -6.200 1.00 0.00 H new ATOM 0 HA GLU B 143 -5.165 2.412 -8.407 1.00 0.00 H new ATOM 0 HB2 GLU B 143 -7.449 2.695 -6.437 1.00 0.00 H new ATOM 0 HB3 GLU B 143 -7.266 3.619 -7.914 1.00 0.00 H new ATOM 0 HG2 GLU B 143 -7.586 0.608 -7.773 1.00 0.00 H new ATOM 0 HG3 GLU B 143 -8.875 1.745 -8.114 1.00 0.00 H new ATOM 1974 N LEU B 144 -4.743 3.514 -5.372 1.00 0.00 N ATOM 1975 CA LEU B 144 -4.104 4.550 -4.571 1.00 0.00 C ATOM 1976 C LEU B 144 -2.667 4.755 -5.007 1.00 0.00 C ATOM 1977 O LEU B 144 -2.226 5.875 -5.217 1.00 0.00 O ATOM 1978 CB LEU B 144 -4.165 4.183 -3.082 1.00 0.00 C ATOM 1979 CG LEU B 144 -3.447 5.128 -2.121 1.00 0.00 C ATOM 1980 CD1 LEU B 144 -3.979 6.540 -2.264 1.00 0.00 C ATOM 1981 CD2 LEU B 144 -3.615 4.644 -0.702 1.00 0.00 C ATOM 0 H LEU B 144 -5.063 2.709 -4.833 1.00 0.00 H new ATOM 0 HA LEU B 144 -4.643 5.485 -4.723 1.00 0.00 H new ATOM 0 HB2 LEU B 144 -5.213 4.126 -2.787 1.00 0.00 H new ATOM 0 HB3 LEU B 144 -3.744 3.185 -2.958 1.00 0.00 H new ATOM 0 HG LEU B 144 -2.385 5.137 -2.368 1.00 0.00 H new ATOM 0 HD11 LEU B 144 -3.455 7.198 -1.571 1.00 0.00 H new ATOM 0 HD12 LEU B 144 -3.820 6.887 -3.285 1.00 0.00 H new ATOM 0 HD13 LEU B 144 -5.045 6.552 -2.039 1.00 0.00 H new ATOM 0 HD21 LEU B 144 -3.100 5.323 -0.023 1.00 0.00 H new ATOM 0 HD22 LEU B 144 -4.675 4.614 -0.451 1.00 0.00 H new ATOM 0 HD23 LEU B 144 -3.191 3.644 -0.606 1.00 0.00 H new ATOM 1993 N ALA B 145 -1.968 3.664 -5.190 1.00 0.00 N ATOM 1994 CA ALA B 145 -0.594 3.710 -5.590 1.00 0.00 C ATOM 1995 C ALA B 145 -0.466 3.960 -7.088 1.00 0.00 C ATOM 1996 O ALA B 145 0.624 4.266 -7.599 1.00 0.00 O ATOM 1997 CB ALA B 145 0.100 2.440 -5.182 1.00 0.00 C ATOM 0 H ALA B 145 -2.339 2.722 -5.065 1.00 0.00 H new ATOM 0 HA ALA B 145 -0.109 4.545 -5.084 1.00 0.00 H new ATOM 0 HB1 ALA B 145 1.145 2.482 -5.489 1.00 0.00 H new ATOM 0 HB2 ALA B 145 0.044 2.327 -4.099 1.00 0.00 H new ATOM 0 HB3 ALA B 145 -0.386 1.590 -5.661 1.00 0.00 H new ATOM 2003 N ALA B 146 -1.577 3.818 -7.781 1.00 0.00 N ATOM 2004 CA ALA B 146 -1.639 4.062 -9.198 1.00 0.00 C ATOM 2005 C ALA B 146 -1.940 5.531 -9.475 1.00 0.00 C ATOM 2006 O ALA B 146 -1.632 6.046 -10.554 1.00 0.00 O ATOM 2007 CB ALA B 146 -2.694 3.176 -9.840 1.00 0.00 C ATOM 0 H ALA B 146 -2.464 3.528 -7.370 1.00 0.00 H new ATOM 0 HA ALA B 146 -0.669 3.821 -9.633 1.00 0.00 H new ATOM 0 HB1 ALA B 146 -2.730 3.371 -10.912 1.00 0.00 H new ATOM 0 HB2 ALA B 146 -2.442 2.129 -9.670 1.00 0.00 H new ATOM 0 HB3 ALA B 146 -3.667 3.391 -9.399 1.00 0.00 H new ATOM 2013 N LEU B 147 -2.533 6.203 -8.501 1.00 0.00 N ATOM 2014 CA LEU B 147 -2.878 7.598 -8.638 1.00 0.00 C ATOM 2015 C LEU B 147 -1.643 8.485 -8.466 1.00 0.00 C ATOM 2016 O LEU B 147 -0.750 8.174 -7.671 1.00 0.00 O ATOM 2017 CB LEU B 147 -3.958 8.016 -7.629 1.00 0.00 C ATOM 2018 CG LEU B 147 -5.341 7.384 -7.807 1.00 0.00 C ATOM 2019 CD1 LEU B 147 -6.275 7.832 -6.697 1.00 0.00 C ATOM 2020 CD2 LEU B 147 -5.933 7.729 -9.167 1.00 0.00 C ATOM 0 H LEU B 147 -2.785 5.795 -7.601 1.00 0.00 H new ATOM 0 HA LEU B 147 -3.277 7.731 -9.644 1.00 0.00 H new ATOM 0 HB2 LEU B 147 -3.600 7.777 -6.628 1.00 0.00 H new ATOM 0 HB3 LEU B 147 -4.069 9.099 -7.678 1.00 0.00 H new ATOM 0 HG LEU B 147 -5.225 6.302 -7.754 1.00 0.00 H new ATOM 0 HD11 LEU B 147 -7.254 7.374 -6.838 1.00 0.00 H new ATOM 0 HD12 LEU B 147 -5.867 7.527 -5.733 1.00 0.00 H new ATOM 0 HD13 LEU B 147 -6.375 8.917 -6.722 1.00 0.00 H new ATOM 0 HD21 LEU B 147 -6.915 7.266 -9.264 1.00 0.00 H new ATOM 0 HD22 LEU B 147 -6.031 8.811 -9.257 1.00 0.00 H new ATOM 0 HD23 LEU B 147 -5.277 7.357 -9.954 1.00 0.00 H new ATOM 2032 N SER B 148 -1.573 9.560 -9.219 1.00 0.00 N ATOM 2033 CA SER B 148 -0.459 10.477 -9.129 1.00 0.00 C ATOM 2034 C SER B 148 -0.620 11.389 -7.914 1.00 0.00 C ATOM 2035 O SER B 148 -1.684 11.437 -7.274 1.00 0.00 O ATOM 2036 CB SER B 148 -0.361 11.334 -10.400 1.00 0.00 C ATOM 2037 OG SER B 148 0.840 12.083 -10.447 1.00 0.00 O ATOM 0 H SER B 148 -2.280 9.822 -9.906 1.00 0.00 H new ATOM 0 HA SER B 148 0.454 9.892 -9.023 1.00 0.00 H new ATOM 0 HB2 SER B 148 -0.420 10.689 -11.277 1.00 0.00 H new ATOM 0 HB3 SER B 148 -1.213 12.013 -10.446 1.00 0.00 H new ATOM 0 HG SER B 148 0.863 12.612 -11.271 1.00 0.00 H new ATOM 2043 N GLN B 149 0.414 12.156 -7.647 1.00 0.00 N ATOM 2044 CA GLN B 149 0.443 13.074 -6.542 1.00 0.00 C ATOM 2045 C GLN B 149 -0.564 14.184 -6.785 1.00 0.00 C ATOM 2046 O GLN B 149 -1.170 14.703 -5.856 1.00 0.00 O ATOM 2047 CB GLN B 149 1.819 13.681 -6.421 1.00 0.00 C ATOM 2048 CG GLN B 149 1.990 14.550 -5.185 1.00 0.00 C ATOM 2049 CD GLN B 149 3.307 15.282 -5.138 1.00 0.00 C ATOM 2050 OE1 GLN B 149 4.318 14.816 -5.658 1.00 0.00 O ATOM 2051 NE2 GLN B 149 3.299 16.434 -4.522 1.00 0.00 N ATOM 0 H GLN B 149 1.269 12.155 -8.203 1.00 0.00 H new ATOM 0 HA GLN B 149 0.196 12.540 -5.625 1.00 0.00 H new ATOM 0 HB2 GLN B 149 2.560 12.882 -6.399 1.00 0.00 H new ATOM 0 HB3 GLN B 149 2.023 14.280 -7.308 1.00 0.00 H new ATOM 0 HG2 GLN B 149 1.179 15.277 -5.147 1.00 0.00 H new ATOM 0 HG3 GLN B 149 1.900 13.925 -4.297 1.00 0.00 H new ATOM 0 HE21 GLN B 149 2.436 16.783 -4.104 1.00 0.00 H new ATOM 0 HE22 GLN B 149 4.155 16.985 -4.459 1.00 0.00 H new ATOM 2060 N ASP B 150 -0.759 14.519 -8.052 1.00 0.00 N ATOM 2061 CA ASP B 150 -1.705 15.566 -8.439 1.00 0.00 C ATOM 2062 C ASP B 150 -3.101 15.145 -8.082 1.00 0.00 C ATOM 2063 O ASP B 150 -3.906 15.943 -7.619 1.00 0.00 O ATOM 2064 CB ASP B 150 -1.622 15.874 -9.932 1.00 0.00 C ATOM 2065 CG ASP B 150 -0.284 16.425 -10.345 1.00 0.00 C ATOM 2066 OD1 ASP B 150 -0.071 17.651 -10.237 1.00 0.00 O ATOM 2067 OD2 ASP B 150 0.579 15.645 -10.770 1.00 0.00 O ATOM 0 H ASP B 150 -0.274 14.081 -8.836 1.00 0.00 H new ATOM 0 HA ASP B 150 -1.443 16.474 -7.895 1.00 0.00 H new ATOM 0 HB2 ASP B 150 -1.824 14.964 -10.497 1.00 0.00 H new ATOM 0 HB3 ASP B 150 -2.400 16.591 -10.193 1.00 0.00 H new ATOM 2072 N GLU B 151 -3.358 13.859 -8.238 1.00 0.00 N ATOM 2073 CA GLU B 151 -4.638 13.292 -7.910 1.00 0.00 C ATOM 2074 C GLU B 151 -4.832 13.326 -6.418 1.00 0.00 C ATOM 2075 O GLU B 151 -5.886 13.710 -5.934 1.00 0.00 O ATOM 2076 CB GLU B 151 -4.752 11.868 -8.443 1.00 0.00 C ATOM 2077 CG GLU B 151 -4.656 11.789 -9.951 1.00 0.00 C ATOM 2078 CD GLU B 151 -5.640 12.715 -10.624 1.00 0.00 C ATOM 2079 OE1 GLU B 151 -6.852 12.426 -10.626 1.00 0.00 O ATOM 2080 OE2 GLU B 151 -5.220 13.763 -11.149 1.00 0.00 O ATOM 0 H GLU B 151 -2.681 13.185 -8.596 1.00 0.00 H new ATOM 0 HA GLU B 151 -5.423 13.883 -8.383 1.00 0.00 H new ATOM 0 HB2 GLU B 151 -3.964 11.257 -8.002 1.00 0.00 H new ATOM 0 HB3 GLU B 151 -5.703 11.442 -8.123 1.00 0.00 H new ATOM 0 HG2 GLU B 151 -3.644 12.044 -10.265 1.00 0.00 H new ATOM 0 HG3 GLU B 151 -4.841 10.765 -10.274 1.00 0.00 H new ATOM 2087 N LEU B 152 -3.784 12.983 -5.687 1.00 0.00 N ATOM 2088 CA LEU B 152 -3.829 13.026 -4.237 1.00 0.00 C ATOM 2089 C LEU B 152 -4.070 14.451 -3.761 1.00 0.00 C ATOM 2090 O LEU B 152 -4.813 14.672 -2.834 1.00 0.00 O ATOM 2091 CB LEU B 152 -2.546 12.470 -3.612 1.00 0.00 C ATOM 2092 CG LEU B 152 -2.180 11.033 -3.969 1.00 0.00 C ATOM 2093 CD1 LEU B 152 -0.909 10.612 -3.257 1.00 0.00 C ATOM 2094 CD2 LEU B 152 -3.323 10.078 -3.660 1.00 0.00 C ATOM 0 H LEU B 152 -2.893 12.672 -6.075 1.00 0.00 H new ATOM 0 HA LEU B 152 -4.655 12.393 -3.913 1.00 0.00 H new ATOM 0 HB2 LEU B 152 -1.717 13.115 -3.904 1.00 0.00 H new ATOM 0 HB3 LEU B 152 -2.637 12.539 -2.528 1.00 0.00 H new ATOM 0 HG LEU B 152 -1.999 10.990 -5.043 1.00 0.00 H new ATOM 0 HD11 LEU B 152 -0.665 9.584 -3.525 1.00 0.00 H new ATOM 0 HD12 LEU B 152 -0.091 11.268 -3.554 1.00 0.00 H new ATOM 0 HD13 LEU B 152 -1.056 10.681 -2.179 1.00 0.00 H new ATOM 0 HD21 LEU B 152 -3.030 9.062 -3.926 1.00 0.00 H new ATOM 0 HD22 LEU B 152 -3.556 10.122 -2.596 1.00 0.00 H new ATOM 0 HD23 LEU B 152 -4.203 10.365 -4.236 1.00 0.00 H new ATOM 2106 N THR B 153 -3.470 15.412 -4.428 1.00 0.00 N ATOM 2107 CA THR B 153 -3.657 16.809 -4.076 1.00 0.00 C ATOM 2108 C THR B 153 -5.109 17.235 -4.348 1.00 0.00 C ATOM 2109 O THR B 153 -5.663 18.043 -3.636 1.00 0.00 O ATOM 2110 CB THR B 153 -2.692 17.725 -4.845 1.00 0.00 C ATOM 2111 OG1 THR B 153 -1.358 17.198 -4.745 1.00 0.00 O ATOM 2112 CG2 THR B 153 -2.700 19.129 -4.251 1.00 0.00 C ATOM 0 H THR B 153 -2.846 15.255 -5.220 1.00 0.00 H new ATOM 0 HA THR B 153 -3.440 16.911 -3.013 1.00 0.00 H new ATOM 0 HB THR B 153 -3.012 17.770 -5.886 1.00 0.00 H new ATOM 0 HG1 THR B 153 -1.296 16.366 -5.259 1.00 0.00 H new ATOM 0 HG21 THR B 153 -2.011 19.764 -4.808 1.00 0.00 H new ATOM 0 HG22 THR B 153 -3.706 19.544 -4.312 1.00 0.00 H new ATOM 0 HG23 THR B 153 -2.389 19.084 -3.207 1.00 0.00 H new ATOM 2120 N SER B 154 -5.709 16.644 -5.350 1.00 0.00 N ATOM 2121 CA SER B 154 -7.089 16.933 -5.687 1.00 0.00 C ATOM 2122 C SER B 154 -8.018 16.323 -4.620 1.00 0.00 C ATOM 2123 O SER B 154 -9.009 16.939 -4.197 1.00 0.00 O ATOM 2124 CB SER B 154 -7.413 16.384 -7.097 1.00 0.00 C ATOM 2125 OG SER B 154 -8.753 16.674 -7.495 1.00 0.00 O ATOM 0 H SER B 154 -5.263 15.953 -5.954 1.00 0.00 H new ATOM 0 HA SER B 154 -7.247 18.011 -5.703 1.00 0.00 H new ATOM 0 HB2 SER B 154 -6.720 16.814 -7.820 1.00 0.00 H new ATOM 0 HB3 SER B 154 -7.258 15.305 -7.109 1.00 0.00 H new ATOM 0 HG SER B 154 -8.914 16.311 -8.391 1.00 0.00 H new ATOM 2131 N ILE B 155 -7.668 15.139 -4.170 1.00 0.00 N ATOM 2132 CA ILE B 155 -8.437 14.405 -3.188 1.00 0.00 C ATOM 2133 C ILE B 155 -8.245 14.977 -1.780 1.00 0.00 C ATOM 2134 O ILE B 155 -9.212 15.331 -1.098 1.00 0.00 O ATOM 2135 CB ILE B 155 -8.010 12.922 -3.191 1.00 0.00 C ATOM 2136 CG1 ILE B 155 -8.295 12.291 -4.557 1.00 0.00 C ATOM 2137 CG2 ILE B 155 -8.719 12.159 -2.087 1.00 0.00 C ATOM 2138 CD1 ILE B 155 -7.734 10.894 -4.730 1.00 0.00 C ATOM 0 H ILE B 155 -6.828 14.651 -4.480 1.00 0.00 H new ATOM 0 HA ILE B 155 -9.489 14.496 -3.457 1.00 0.00 H new ATOM 0 HB ILE B 155 -6.938 12.869 -3.003 1.00 0.00 H new ATOM 0 HG12 ILE B 155 -9.374 12.258 -4.711 1.00 0.00 H new ATOM 0 HG13 ILE B 155 -7.882 12.934 -5.334 1.00 0.00 H new ATOM 0 HG21 ILE B 155 -8.404 11.116 -2.106 1.00 0.00 H new ATOM 0 HG22 ILE B 155 -8.466 12.597 -1.121 1.00 0.00 H new ATOM 0 HG23 ILE B 155 -9.797 12.216 -2.240 1.00 0.00 H new ATOM 0 HD11 ILE B 155 -7.982 10.523 -5.725 1.00 0.00 H new ATOM 0 HD12 ILE B 155 -6.651 10.920 -4.612 1.00 0.00 H new ATOM 0 HD13 ILE B 155 -8.166 10.233 -3.978 1.00 0.00 H new ATOM 2150 N LEU B 156 -7.001 15.062 -1.359 1.00 0.00 N ATOM 2151 CA LEU B 156 -6.674 15.483 -0.012 1.00 0.00 C ATOM 2152 C LEU B 156 -6.808 16.989 0.100 1.00 0.00 C ATOM 2153 O LEU B 156 -7.180 17.514 1.148 1.00 0.00 O ATOM 2154 CB LEU B 156 -5.243 15.055 0.369 1.00 0.00 C ATOM 2155 CG LEU B 156 -4.784 13.629 -0.042 1.00 0.00 C ATOM 2156 CD1 LEU B 156 -3.433 13.342 0.530 1.00 0.00 C ATOM 2157 CD2 LEU B 156 -5.757 12.538 0.363 1.00 0.00 C ATOM 0 H LEU B 156 -6.190 14.842 -1.938 1.00 0.00 H new ATOM 0 HA LEU B 156 -7.369 15.002 0.677 1.00 0.00 H new ATOM 0 HB2 LEU B 156 -4.550 15.771 -0.072 1.00 0.00 H new ATOM 0 HB3 LEU B 156 -5.144 15.141 1.451 1.00 0.00 H new ATOM 0 HG LEU B 156 -4.744 13.621 -1.131 1.00 0.00 H new ATOM 0 HD11 LEU B 156 -3.119 12.340 0.237 1.00 0.00 H new ATOM 0 HD12 LEU B 156 -2.716 14.072 0.154 1.00 0.00 H new ATOM 0 HD13 LEU B 156 -3.477 13.405 1.617 1.00 0.00 H new ATOM 0 HD21 LEU B 156 -5.371 11.570 0.044 1.00 0.00 H new ATOM 0 HD22 LEU B 156 -5.877 12.541 1.446 1.00 0.00 H new ATOM 0 HD23 LEU B 156 -6.723 12.718 -0.110 1.00 0.00 H new ATOM 2169 N GLY B 157 -6.508 17.669 -0.981 1.00 0.00 N ATOM 2170 CA GLY B 157 -6.630 19.110 -1.036 1.00 0.00 C ATOM 2171 C GLY B 157 -5.376 19.828 -0.618 1.00 0.00 C ATOM 2172 O GLY B 157 -5.292 21.048 -0.719 1.00 0.00 O ATOM 0 H GLY B 157 -6.174 17.243 -1.845 1.00 0.00 H new ATOM 0 HA2 GLY B 157 -6.890 19.408 -2.052 1.00 0.00 H new ATOM 0 HA3 GLY B 157 -7.452 19.423 -0.392 1.00 0.00 H new ATOM 2176 N ASN B 158 -4.387 19.089 -0.164 1.00 0.00 N ATOM 2177 CA ASN B 158 -3.140 19.701 0.266 1.00 0.00 C ATOM 2178 C ASN B 158 -2.024 18.944 -0.369 1.00 0.00 C ATOM 2179 O ASN B 158 -1.963 17.705 -0.233 1.00 0.00 O ATOM 2180 CB ASN B 158 -2.921 19.634 1.801 1.00 0.00 C ATOM 2181 CG ASN B 158 -4.170 19.440 2.617 1.00 0.00 C ATOM 2182 OD1 ASN B 158 -4.437 18.202 2.942 1.00 0.00 O flip ATOM 2183 ND2 ASN B 158 -4.849 20.389 2.993 1.00 0.00 N flip ATOM 0 H ASN B 158 -4.417 18.073 -0.082 1.00 0.00 H new ATOM 0 HA ASN B 158 -3.175 20.751 -0.023 1.00 0.00 H new ATOM 0 HB2 ASN B 158 -2.233 18.817 2.019 1.00 0.00 H new ATOM 0 HB3 ASN B 158 -2.435 20.555 2.123 1.00 0.00 H new ATOM 0 HD21 ASN B 158 -4.600 21.337 2.712 1.00 0.00 H new ATOM 0 HD22 ASN B 158 -5.663 20.230 3.586 1.00 0.00 H new ATOM 2190 N ALA B 159 -1.132 19.654 -1.025 1.00 0.00 N ATOM 2191 CA ALA B 159 0.021 19.056 -1.678 1.00 0.00 C ATOM 2192 C ALA B 159 0.964 18.472 -0.656 1.00 0.00 C ATOM 2193 O ALA B 159 1.739 17.613 -0.967 1.00 0.00 O ATOM 2194 CB ALA B 159 0.756 20.070 -2.535 1.00 0.00 C ATOM 0 H ALA B 159 -1.183 20.668 -1.123 1.00 0.00 H new ATOM 0 HA ALA B 159 -0.344 18.258 -2.325 1.00 0.00 H new ATOM 0 HB1 ALA B 159 1.613 19.592 -3.010 1.00 0.00 H new ATOM 0 HB2 ALA B 159 0.083 20.454 -3.302 1.00 0.00 H new ATOM 0 HB3 ALA B 159 1.100 20.894 -1.909 1.00 0.00 H new ATOM 2200 N ALA B 160 0.870 18.943 0.572 1.00 0.00 N ATOM 2201 CA ALA B 160 1.692 18.443 1.654 1.00 0.00 C ATOM 2202 C ALA B 160 1.345 16.991 1.939 1.00 0.00 C ATOM 2203 O ALA B 160 2.202 16.113 1.904 1.00 0.00 O ATOM 2204 CB ALA B 160 1.468 19.275 2.893 1.00 0.00 C ATOM 0 H ALA B 160 0.223 19.682 0.847 1.00 0.00 H new ATOM 0 HA ALA B 160 2.741 18.508 1.364 1.00 0.00 H new ATOM 0 HB1 ALA B 160 2.089 18.894 3.704 1.00 0.00 H new ATOM 0 HB2 ALA B 160 1.734 20.312 2.688 1.00 0.00 H new ATOM 0 HB3 ALA B 160 0.419 19.220 3.183 1.00 0.00 H new ATOM 2210 N ASN B 161 0.061 16.753 2.163 1.00 0.00 N ATOM 2211 CA ASN B 161 -0.461 15.420 2.464 1.00 0.00 C ATOM 2212 C ASN B 161 -0.244 14.513 1.260 1.00 0.00 C ATOM 2213 O ASN B 161 0.156 13.360 1.398 1.00 0.00 O ATOM 2214 CB ASN B 161 -1.971 15.501 2.787 1.00 0.00 C ATOM 2215 CG ASN B 161 -2.353 16.145 4.136 1.00 0.00 C ATOM 2216 OD1 ASN B 161 -3.436 15.908 4.653 1.00 0.00 O ATOM 2217 ND2 ASN B 161 -1.497 16.908 4.712 1.00 0.00 N ATOM 0 H ASN B 161 -0.655 17.480 2.142 1.00 0.00 H new ATOM 0 HA ASN B 161 0.064 15.015 3.330 1.00 0.00 H new ATOM 0 HB2 ASN B 161 -2.461 16.062 1.991 1.00 0.00 H new ATOM 0 HB3 ASN B 161 -2.380 14.491 2.763 1.00 0.00 H new ATOM 0 HD21 ASN B 161 -1.715 17.328 5.616 1.00 0.00 H new ATOM 0 HD22 ASN B 161 -0.599 17.095 4.266 1.00 0.00 H new ATOM 2224 N ALA B 162 -0.473 15.077 0.075 1.00 0.00 N ATOM 2225 CA ALA B 162 -0.315 14.374 -1.193 1.00 0.00 C ATOM 2226 C ALA B 162 1.125 13.974 -1.410 1.00 0.00 C ATOM 2227 O ALA B 162 1.403 12.865 -1.849 1.00 0.00 O ATOM 2228 CB ALA B 162 -0.764 15.273 -2.321 1.00 0.00 C ATOM 0 H ALA B 162 -0.777 16.045 -0.031 1.00 0.00 H new ATOM 0 HA ALA B 162 -0.924 13.471 -1.170 1.00 0.00 H new ATOM 0 HB1 ALA B 162 -0.647 14.751 -3.271 1.00 0.00 H new ATOM 0 HB2 ALA B 162 -1.812 15.539 -2.179 1.00 0.00 H new ATOM 0 HB3 ALA B 162 -0.157 16.179 -2.328 1.00 0.00 H new ATOM 2234 N LYS B 163 2.036 14.871 -1.074 1.00 0.00 N ATOM 2235 CA LYS B 163 3.439 14.636 -1.245 1.00 0.00 C ATOM 2236 C LYS B 163 3.886 13.584 -0.281 1.00 0.00 C ATOM 2237 O LYS B 163 4.564 12.667 -0.672 1.00 0.00 O ATOM 2238 CB LYS B 163 4.256 15.932 -1.073 1.00 0.00 C ATOM 2239 CG LYS B 163 5.762 15.729 -1.099 1.00 0.00 C ATOM 2240 CD LYS B 163 6.511 17.021 -0.828 1.00 0.00 C ATOM 2241 CE LYS B 163 8.007 16.778 -0.795 1.00 0.00 C ATOM 2242 NZ LYS B 163 8.771 17.990 -0.458 1.00 0.00 N ATOM 0 H LYS B 163 1.811 15.782 -0.675 1.00 0.00 H new ATOM 0 HA LYS B 163 3.614 14.286 -2.262 1.00 0.00 H new ATOM 0 HB2 LYS B 163 3.981 16.629 -1.865 1.00 0.00 H new ATOM 0 HB3 LYS B 163 3.980 16.399 -0.128 1.00 0.00 H new ATOM 0 HG2 LYS B 163 6.041 14.984 -0.354 1.00 0.00 H new ATOM 0 HG3 LYS B 163 6.059 15.334 -2.071 1.00 0.00 H new ATOM 0 HD2 LYS B 163 6.274 17.753 -1.600 1.00 0.00 H new ATOM 0 HD3 LYS B 163 6.185 17.443 0.123 1.00 0.00 H new ATOM 0 HE2 LYS B 163 8.229 15.999 -0.066 1.00 0.00 H new ATOM 0 HE3 LYS B 163 8.332 16.407 -1.767 1.00 0.00 H new ATOM 0 HZ1 LYS B 163 9.787 17.769 -0.449 1.00 0.00 H new ATOM 0 HZ2 LYS B 163 8.583 18.727 -1.167 1.00 0.00 H new ATOM 0 HZ3 LYS B 163 8.483 18.332 0.481 1.00 0.00 H new ATOM 2256 N GLN B 164 3.442 13.694 0.972 1.00 0.00 N ATOM 2257 CA GLN B 164 3.798 12.723 1.995 1.00 0.00 C ATOM 2258 C GLN B 164 3.407 11.314 1.597 1.00 0.00 C ATOM 2259 O GLN B 164 4.212 10.368 1.724 1.00 0.00 O ATOM 2260 CB GLN B 164 3.189 13.061 3.351 1.00 0.00 C ATOM 2261 CG GLN B 164 3.774 14.261 4.029 1.00 0.00 C ATOM 2262 CD GLN B 164 3.619 14.160 5.534 1.00 0.00 C ATOM 2263 OE1 GLN B 164 4.494 13.641 6.228 1.00 0.00 O ATOM 2264 NE2 GLN B 164 2.530 14.632 6.045 1.00 0.00 N ATOM 0 H GLN B 164 2.836 14.447 1.298 1.00 0.00 H new ATOM 0 HA GLN B 164 4.883 12.772 2.087 1.00 0.00 H new ATOM 0 HB2 GLN B 164 2.119 13.222 3.221 1.00 0.00 H new ATOM 0 HB3 GLN B 164 3.304 12.199 4.009 1.00 0.00 H new ATOM 0 HG2 GLN B 164 4.830 14.350 3.773 1.00 0.00 H new ATOM 0 HG3 GLN B 164 3.281 15.164 3.668 1.00 0.00 H new ATOM 0 HE21 GLN B 164 1.825 15.056 5.441 1.00 0.00 H new ATOM 0 HE22 GLN B 164 2.375 14.581 7.052 1.00 0.00 H new ATOM 2273 N LEU B 165 2.207 11.182 1.090 1.00 0.00 N ATOM 2274 CA LEU B 165 1.693 9.906 0.691 1.00 0.00 C ATOM 2275 C LEU B 165 2.378 9.402 -0.586 1.00 0.00 C ATOM 2276 O LEU B 165 2.866 8.269 -0.621 1.00 0.00 O ATOM 2277 CB LEU B 165 0.173 9.980 0.538 1.00 0.00 C ATOM 2278 CG LEU B 165 -0.546 8.670 0.224 1.00 0.00 C ATOM 2279 CD1 LEU B 165 -0.221 7.611 1.268 1.00 0.00 C ATOM 2280 CD2 LEU B 165 -2.042 8.902 0.165 1.00 0.00 C ATOM 0 H LEU B 165 1.563 11.959 0.944 1.00 0.00 H new ATOM 0 HA LEU B 165 1.918 9.178 1.470 1.00 0.00 H new ATOM 0 HB2 LEU B 165 -0.243 10.385 1.461 1.00 0.00 H new ATOM 0 HB3 LEU B 165 -0.056 10.693 -0.254 1.00 0.00 H new ATOM 0 HG LEU B 165 -0.201 8.311 -0.746 1.00 0.00 H new ATOM 0 HD11 LEU B 165 -0.744 6.687 1.024 1.00 0.00 H new ATOM 0 HD12 LEU B 165 0.853 7.428 1.278 1.00 0.00 H new ATOM 0 HD13 LEU B 165 -0.539 7.959 2.251 1.00 0.00 H new ATOM 0 HD21 LEU B 165 -2.547 7.963 -0.059 1.00 0.00 H new ATOM 0 HD22 LEU B 165 -2.390 9.280 1.126 1.00 0.00 H new ATOM 0 HD23 LEU B 165 -2.267 9.630 -0.614 1.00 0.00 H new ATOM 2292 N TYR B 166 2.462 10.260 -1.610 1.00 0.00 N ATOM 2293 CA TYR B 166 3.090 9.899 -2.892 1.00 0.00 C ATOM 2294 C TYR B 166 4.538 9.460 -2.678 1.00 0.00 C ATOM 2295 O TYR B 166 5.005 8.454 -3.281 1.00 0.00 O ATOM 2296 CB TYR B 166 3.037 11.094 -3.857 1.00 0.00 C ATOM 2297 CG TYR B 166 3.628 10.837 -5.223 1.00 0.00 C ATOM 2298 CD1 TYR B 166 2.887 10.211 -6.210 1.00 0.00 C ATOM 2299 CD2 TYR B 166 4.924 11.234 -5.529 1.00 0.00 C ATOM 2300 CE1 TYR B 166 3.418 9.983 -7.459 1.00 0.00 C ATOM 2301 CE2 TYR B 166 5.459 11.008 -6.776 1.00 0.00 C ATOM 2302 CZ TYR B 166 4.705 10.383 -7.737 1.00 0.00 C ATOM 2303 OH TYR B 166 5.242 10.143 -8.983 1.00 0.00 O ATOM 0 H TYR B 166 2.102 11.214 -1.577 1.00 0.00 H new ATOM 0 HA TYR B 166 2.538 9.065 -3.326 1.00 0.00 H new ATOM 0 HB2 TYR B 166 1.997 11.398 -3.979 1.00 0.00 H new ATOM 0 HB3 TYR B 166 3.563 11.933 -3.402 1.00 0.00 H new ATOM 0 HD1 TYR B 166 1.876 9.896 -5.997 1.00 0.00 H new ATOM 0 HD2 TYR B 166 5.521 11.728 -4.776 1.00 0.00 H new ATOM 0 HE1 TYR B 166 2.827 9.492 -8.218 1.00 0.00 H new ATOM 0 HE2 TYR B 166 6.469 11.321 -6.998 1.00 0.00 H new ATOM 0 HH TYR B 166 6.159 10.488 -9.016 1.00 0.00 H new ATOM 2313 N ASP B 167 5.217 10.208 -1.820 1.00 0.00 N ATOM 2314 CA ASP B 167 6.598 9.962 -1.415 1.00 0.00 C ATOM 2315 C ASP B 167 6.734 8.573 -0.843 1.00 0.00 C ATOM 2316 O ASP B 167 7.566 7.798 -1.288 1.00 0.00 O ATOM 2317 CB ASP B 167 7.005 11.002 -0.357 1.00 0.00 C ATOM 2318 CG ASP B 167 8.393 10.829 0.200 1.00 0.00 C ATOM 2319 OD1 ASP B 167 9.352 11.344 -0.409 1.00 0.00 O ATOM 2320 OD2 ASP B 167 8.536 10.216 1.288 1.00 0.00 O ATOM 0 H ASP B 167 4.811 11.029 -1.371 1.00 0.00 H new ATOM 0 HA ASP B 167 7.249 10.046 -2.285 1.00 0.00 H new ATOM 0 HB2 ASP B 167 6.927 11.996 -0.797 1.00 0.00 H new ATOM 0 HB3 ASP B 167 6.291 10.961 0.466 1.00 0.00 H new ATOM 2325 N PHE B 168 5.856 8.248 0.094 1.00 0.00 N ATOM 2326 CA PHE B 168 5.879 6.967 0.788 1.00 0.00 C ATOM 2327 C PHE B 168 5.668 5.823 -0.195 1.00 0.00 C ATOM 2328 O PHE B 168 6.459 4.898 -0.241 1.00 0.00 O ATOM 2329 CB PHE B 168 4.805 6.954 1.882 1.00 0.00 C ATOM 2330 CG PHE B 168 4.811 5.738 2.764 1.00 0.00 C ATOM 2331 CD1 PHE B 168 5.963 5.356 3.429 1.00 0.00 C ATOM 2332 CD2 PHE B 168 3.664 4.988 2.939 1.00 0.00 C ATOM 2333 CE1 PHE B 168 5.970 4.251 4.249 1.00 0.00 C ATOM 2334 CE2 PHE B 168 3.664 3.881 3.762 1.00 0.00 C ATOM 2335 CZ PHE B 168 4.820 3.513 4.416 1.00 0.00 C ATOM 0 H PHE B 168 5.104 8.867 0.396 1.00 0.00 H new ATOM 0 HA PHE B 168 6.855 6.831 1.254 1.00 0.00 H new ATOM 0 HB2 PHE B 168 4.934 7.838 2.507 1.00 0.00 H new ATOM 0 HB3 PHE B 168 3.826 7.037 1.410 1.00 0.00 H new ATOM 0 HD1 PHE B 168 6.868 5.932 3.303 1.00 0.00 H new ATOM 0 HD2 PHE B 168 2.757 5.272 2.426 1.00 0.00 H new ATOM 0 HE1 PHE B 168 6.876 3.963 4.761 1.00 0.00 H new ATOM 0 HE2 PHE B 168 2.760 3.304 3.894 1.00 0.00 H new ATOM 0 HZ PHE B 168 4.824 2.646 5.059 1.00 0.00 H new ATOM 2345 N ILE B 169 4.628 5.957 -1.015 1.00 0.00 N ATOM 2346 CA ILE B 169 4.235 4.977 -2.052 1.00 0.00 C ATOM 2347 C ILE B 169 5.397 4.638 -3.011 1.00 0.00 C ATOM 2348 O ILE B 169 5.489 3.511 -3.570 1.00 0.00 O ATOM 2349 CB ILE B 169 3.031 5.543 -2.867 1.00 0.00 C ATOM 2350 CG1 ILE B 169 1.797 5.692 -1.977 1.00 0.00 C ATOM 2351 CG2 ILE B 169 2.710 4.687 -4.081 1.00 0.00 C ATOM 2352 CD1 ILE B 169 0.647 6.382 -2.665 1.00 0.00 C ATOM 0 H ILE B 169 4.012 6.769 -0.984 1.00 0.00 H new ATOM 0 HA ILE B 169 3.953 4.054 -1.545 1.00 0.00 H new ATOM 0 HB ILE B 169 3.324 6.528 -3.230 1.00 0.00 H new ATOM 0 HG12 ILE B 169 1.474 4.705 -1.646 1.00 0.00 H new ATOM 0 HG13 ILE B 169 2.068 6.255 -1.083 1.00 0.00 H new ATOM 0 HG21 ILE B 169 1.866 5.119 -4.618 1.00 0.00 H new ATOM 0 HG22 ILE B 169 3.578 4.650 -4.739 1.00 0.00 H new ATOM 0 HG23 ILE B 169 2.456 3.678 -3.758 1.00 0.00 H new ATOM 0 HD11 ILE B 169 -0.196 6.455 -1.979 1.00 0.00 H new ATOM 0 HD12 ILE B 169 0.954 7.382 -2.972 1.00 0.00 H new ATOM 0 HD13 ILE B 169 0.351 5.808 -3.543 1.00 0.00 H new ATOM 2364 N HIS B 170 6.246 5.615 -3.233 1.00 0.00 N ATOM 2365 CA HIS B 170 7.359 5.460 -4.157 1.00 0.00 C ATOM 2366 C HIS B 170 8.742 5.348 -3.486 1.00 0.00 C ATOM 2367 O HIS B 170 9.753 5.341 -4.186 1.00 0.00 O ATOM 2368 CB HIS B 170 7.357 6.587 -5.193 1.00 0.00 C ATOM 2369 CG HIS B 170 6.213 6.515 -6.157 1.00 0.00 C ATOM 2370 ND1 HIS B 170 4.966 7.022 -5.882 1.00 0.00 N ATOM 2371 CD2 HIS B 170 6.123 5.947 -7.379 1.00 0.00 C ATOM 2372 CE1 HIS B 170 4.154 6.758 -6.895 1.00 0.00 C ATOM 2373 NE2 HIS B 170 4.831 6.111 -7.812 1.00 0.00 N ATOM 0 H HIS B 170 6.191 6.531 -2.787 1.00 0.00 H new ATOM 0 HA HIS B 170 7.196 4.500 -4.648 1.00 0.00 H new ATOM 0 HB2 HIS B 170 7.324 7.545 -4.675 1.00 0.00 H new ATOM 0 HB3 HIS B 170 8.293 6.558 -5.751 1.00 0.00 H new ATOM 0 HD1 HIS B 170 4.706 7.523 -5.032 1.00 0.00 H new ATOM 0 HD2 HIS B 170 6.920 5.455 -7.916 1.00 0.00 H new ATOM 0 HE1 HIS B 170 3.111 7.030 -6.955 1.00 0.00 H new ATOM 2382 N THR B 171 8.801 5.229 -2.184 1.00 0.00 N ATOM 2383 CA THR B 171 10.090 5.108 -1.509 1.00 0.00 C ATOM 2384 C THR B 171 10.394 3.652 -1.182 1.00 0.00 C ATOM 2385 O THR B 171 9.786 3.077 -0.300 1.00 0.00 O ATOM 2386 CB THR B 171 10.149 5.972 -0.226 1.00 0.00 C ATOM 2387 OG1 THR B 171 10.056 7.358 -0.577 1.00 0.00 O ATOM 2388 CG2 THR B 171 11.434 5.728 0.550 1.00 0.00 C ATOM 0 H THR B 171 7.989 5.212 -1.567 1.00 0.00 H new ATOM 0 HA THR B 171 10.851 5.480 -2.195 1.00 0.00 H new ATOM 0 HB THR B 171 9.310 5.691 0.411 1.00 0.00 H new ATOM 0 HG1 THR B 171 9.138 7.565 -0.851 1.00 0.00 H new ATOM 0 HG21 THR B 171 11.443 6.351 1.445 1.00 0.00 H new ATOM 0 HG22 THR B 171 11.491 4.678 0.838 1.00 0.00 H new ATOM 0 HG23 THR B 171 12.290 5.980 -0.076 1.00 0.00 H new ATOM 2396 N SER B 172 11.347 3.080 -1.891 1.00 0.00 N ATOM 2397 CA SER B 172 11.718 1.685 -1.733 1.00 0.00 C ATOM 2398 C SER B 172 12.149 1.420 -0.274 1.00 0.00 C ATOM 2399 O SER B 172 12.777 2.285 0.368 1.00 0.00 O ATOM 2400 CB SER B 172 12.888 1.381 -2.666 1.00 0.00 C ATOM 2401 OG SER B 172 12.677 1.973 -3.933 1.00 0.00 O ATOM 0 H SER B 172 11.891 3.573 -2.599 1.00 0.00 H new ATOM 0 HA SER B 172 10.867 1.049 -1.976 1.00 0.00 H new ATOM 0 HB2 SER B 172 13.814 1.757 -2.232 1.00 0.00 H new ATOM 0 HB3 SER B 172 13.002 0.303 -2.776 1.00 0.00 H new ATOM 0 HG SER B 172 13.436 1.771 -4.519 1.00 0.00 H new ATOM 2407 N PHE B 173 11.846 0.237 0.231 1.00 0.00 N ATOM 2408 CA PHE B 173 12.155 -0.141 1.626 1.00 0.00 C ATOM 2409 C PHE B 173 13.666 -0.090 1.857 1.00 0.00 C ATOM 2410 O PHE B 173 14.137 0.193 2.956 1.00 0.00 O ATOM 2411 CB PHE B 173 11.678 -1.571 1.895 1.00 0.00 C ATOM 2412 CG PHE B 173 10.352 -1.902 1.267 1.00 0.00 C ATOM 2413 CD1 PHE B 173 9.156 -1.509 1.841 1.00 0.00 C ATOM 2414 CD2 PHE B 173 10.316 -2.585 0.068 1.00 0.00 C ATOM 2415 CE1 PHE B 173 7.961 -1.793 1.225 1.00 0.00 C ATOM 2416 CE2 PHE B 173 9.130 -2.866 -0.548 1.00 0.00 C ATOM 2417 CZ PHE B 173 7.950 -2.468 0.025 1.00 0.00 C ATOM 0 H PHE B 173 11.380 -0.497 -0.302 1.00 0.00 H new ATOM 0 HA PHE B 173 11.649 0.557 2.294 1.00 0.00 H new ATOM 0 HB2 PHE B 173 12.428 -2.269 1.524 1.00 0.00 H new ATOM 0 HB3 PHE B 173 11.606 -1.723 2.972 1.00 0.00 H new ATOM 0 HD1 PHE B 173 9.162 -0.975 2.780 1.00 0.00 H new ATOM 0 HD2 PHE B 173 11.241 -2.902 -0.390 1.00 0.00 H new ATOM 0 HE1 PHE B 173 7.031 -1.487 1.682 1.00 0.00 H new ATOM 0 HE2 PHE B 173 9.122 -3.401 -1.486 1.00 0.00 H new ATOM 0 HZ PHE B 173 7.012 -2.684 -0.465 1.00 0.00 H new