USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 731 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 79 GLN : amide:sc= -2.55! C(o=-4.2!,f=-9.7!) USER MOD Set 1.2: A 93 GLN : amide:sc= -1.68 K(o=-4.2,f=-11!) USER MOD Set 2.1: A 25 SER OG : rot -83:sc= 0.808 USER MOD Set 2.2: A 26 GLN : amide:sc= -0.176 K(o=0.63,f=0.032) USER MOD Set 3.1: A 16 GLN :FLIP amide:sc= 0 F(o=-1.3!,f=0) USER MOD Set 3.2: A 48 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 THR OG1 : rot -55:sc= -0.67! USER MOD Single : A 27 HIS : no HD1:sc= -0.0452 X(o=-0.045,f=-0.2) USER MOD Single : A 30 GLN : amide:sc= -0.438 X(o=-0.44,f=-0.44) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN :FLIP amide:sc= -6.04! C(o=-8.2!,f=-6!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.935 K(o=-0.93,f=-4.7!) USER MOD Single : A 55 GLN : amide:sc= -10.6! C(o=-11!,f=-11!) USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 171:sc= -1.98 (180deg=-2.59) USER MOD Single : A 77 SER OG : rot 180:sc= -0.372 USER MOD Single : A 82 SER OG : rot 59:sc= -5.31! USER MOD Single : A 87 THR OG1 : rot -160:sc= 0 USER MOD Single : A 89 GLN :FLIP amide:sc= -3! C(o=-5.3!,f=-3!) USER MOD Single : A 92 ASN : amide:sc=-0.00454 K(o=-0.0045,f=-1.7!) USER MOD Single : A 96 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD ----------------------------------------------------------------- ATOM 132 N GLN A 11 -3.471 -3.256 16.569 1.00 0.00 N ATOM 133 CA GLN A 11 -2.482 -2.333 16.031 1.00 0.00 C ATOM 134 C GLN A 11 -2.825 -1.981 14.591 1.00 0.00 C ATOM 135 O GLN A 11 -3.335 -2.816 13.845 1.00 0.00 O ATOM 136 CB GLN A 11 -1.087 -2.962 16.080 1.00 0.00 C ATOM 137 CG GLN A 11 -0.863 -3.591 17.452 1.00 0.00 C ATOM 138 CD GLN A 11 0.528 -4.210 17.518 1.00 0.00 C ATOM 139 OE1 GLN A 11 1.454 -3.603 18.056 1.00 0.00 O ATOM 140 NE2 GLN A 11 0.733 -5.390 17.000 1.00 0.00 N ATOM 0 HA GLN A 11 -2.489 -1.427 16.638 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.989 -3.718 15.301 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.327 -2.205 15.886 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -0.972 -2.836 18.230 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -1.619 -4.353 17.640 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -0.035 -5.892 16.555 1.00 0.00 H new ATOM 0 HE22 GLN A 11 1.661 -5.811 17.041 1.00 0.00 H new ATOM 149 N PRO A 12 -2.547 -0.774 14.184 1.00 0.00 N ATOM 150 CA PRO A 12 -2.823 -0.324 12.798 1.00 0.00 C ATOM 151 C PRO A 12 -2.258 -1.310 11.781 1.00 0.00 C ATOM 152 O PRO A 12 -1.554 -2.251 12.146 1.00 0.00 O ATOM 153 CB PRO A 12 -2.128 1.039 12.677 1.00 0.00 C ATOM 154 CG PRO A 12 -1.465 1.322 13.991 1.00 0.00 C ATOM 155 CD PRO A 12 -1.949 0.284 15.002 1.00 0.00 C ATOM 0 HA PRO A 12 -3.892 -0.258 12.598 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.394 1.025 11.872 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.851 1.818 12.436 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.381 1.276 13.888 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.710 2.328 14.332 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.125 -0.098 15.604 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -2.677 0.711 15.692 1.00 0.00 H new ATOM 163 N LEU A 13 -2.562 -1.090 10.511 1.00 0.00 N ATOM 164 CA LEU A 13 -2.068 -1.969 9.461 1.00 0.00 C ATOM 165 C LEU A 13 -0.622 -1.620 9.138 1.00 0.00 C ATOM 166 O LEU A 13 -0.272 -0.446 9.035 1.00 0.00 O ATOM 167 CB LEU A 13 -2.926 -1.800 8.211 1.00 0.00 C ATOM 168 CG LEU A 13 -2.629 -2.910 7.209 1.00 0.00 C ATOM 169 CD1 LEU A 13 -3.718 -2.907 6.136 1.00 0.00 C ATOM 170 CD2 LEU A 13 -1.266 -2.662 6.554 1.00 0.00 C ATOM 0 H LEU A 13 -3.143 -0.318 10.184 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.121 -3.003 9.801 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.982 -1.818 8.482 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.730 -0.829 7.756 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.610 -3.873 7.719 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.518 -3.697 5.412 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.688 -3.079 6.602 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.726 -1.943 5.628 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.056 -3.457 5.838 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.280 -1.703 6.037 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.491 -2.650 7.320 1.00 0.00 H new ATOM 182 N LEU A 14 0.222 -2.636 8.982 1.00 0.00 N ATOM 183 CA LEU A 14 1.616 -2.390 8.678 1.00 0.00 C ATOM 184 C LEU A 14 1.793 -2.368 7.169 1.00 0.00 C ATOM 185 O LEU A 14 1.754 -3.405 6.507 1.00 0.00 O ATOM 186 CB LEU A 14 2.487 -3.481 9.306 1.00 0.00 C ATOM 187 CG LEU A 14 2.463 -3.385 10.844 1.00 0.00 C ATOM 188 CD1 LEU A 14 3.557 -2.430 11.324 1.00 0.00 C ATOM 189 CD2 LEU A 14 1.107 -2.869 11.336 1.00 0.00 C ATOM 0 H LEU A 14 -0.035 -3.620 9.061 1.00 0.00 H new ATOM 0 HA LEU A 14 1.923 -1.429 9.091 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.130 -4.462 8.993 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.512 -3.385 8.947 1.00 0.00 H new ATOM 0 HG LEU A 14 2.634 -4.383 11.247 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.534 -2.367 12.412 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.530 -2.801 11.003 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.388 -1.440 10.900 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.113 -2.810 12.424 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.922 -1.879 10.920 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.320 -3.551 11.015 1.00 0.00 H new ATOM 201 N LEU A 15 1.957 -1.168 6.633 1.00 0.00 N ATOM 202 CA LEU A 15 2.105 -0.989 5.200 1.00 0.00 C ATOM 203 C LEU A 15 3.469 -0.377 4.888 1.00 0.00 C ATOM 204 O LEU A 15 3.872 0.601 5.517 1.00 0.00 O ATOM 205 CB LEU A 15 0.979 -0.066 4.716 1.00 0.00 C ATOM 206 CG LEU A 15 0.785 -0.190 3.205 1.00 0.00 C ATOM 207 CD1 LEU A 15 2.037 0.314 2.493 1.00 0.00 C ATOM 208 CD2 LEU A 15 0.527 -1.655 2.838 1.00 0.00 C ATOM 0 H LEU A 15 1.991 -0.303 7.172 1.00 0.00 H new ATOM 0 HA LEU A 15 2.042 -1.950 4.689 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.051 -0.319 5.228 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.214 0.967 4.973 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.071 0.409 2.895 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.902 0.227 1.415 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.209 1.358 2.754 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.896 -0.283 2.801 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.389 -1.741 1.760 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.379 -2.262 3.144 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.370 -2.005 3.348 1.00 0.00 H new ATOM 220 N GLN A 16 4.182 -0.956 3.925 1.00 0.00 N ATOM 221 CA GLN A 16 5.500 -0.439 3.572 1.00 0.00 C ATOM 222 C GLN A 16 5.617 -0.168 2.081 1.00 0.00 C ATOM 223 O GLN A 16 4.922 -0.778 1.269 1.00 0.00 O ATOM 224 CB GLN A 16 6.590 -1.422 3.994 1.00 0.00 C ATOM 225 CG GLN A 16 6.884 -1.254 5.483 1.00 0.00 C ATOM 226 CD GLN A 16 7.940 -2.265 5.916 1.00 0.00 C ATOM 227 OE1 GLN A 16 8.435 -3.092 5.035 1.00 0.00 O flip ATOM 228 NE2 GLN A 16 8.327 -2.300 7.085 1.00 0.00 N flip ATOM 0 H GLN A 16 3.877 -1.766 3.386 1.00 0.00 H new ATOM 0 HA GLN A 16 5.629 0.503 4.104 1.00 0.00 H new ATOM 0 HB2 GLN A 16 6.271 -2.444 3.789 1.00 0.00 H new ATOM 0 HB3 GLN A 16 7.495 -1.248 3.413 1.00 0.00 H new ATOM 0 HG2 GLN A 16 7.233 -0.241 5.682 1.00 0.00 H new ATOM 0 HG3 GLN A 16 5.972 -1.396 6.062 1.00 0.00 H new ATOM 0 HE21 GLN A 16 7.938 -1.652 7.771 1.00 0.00 H new ATOM 0 HE22 GLN A 16 9.036 -2.976 7.367 1.00 0.00 H new ATOM 237 N LEU A 17 6.508 0.756 1.732 1.00 0.00 N ATOM 238 CA LEU A 17 6.720 1.114 0.337 1.00 0.00 C ATOM 239 C LEU A 17 8.204 1.277 0.028 1.00 0.00 C ATOM 240 O LEU A 17 8.909 2.033 0.694 1.00 0.00 O ATOM 241 CB LEU A 17 5.985 2.419 0.020 1.00 0.00 C ATOM 242 CG LEU A 17 6.154 2.770 -1.461 1.00 0.00 C ATOM 243 CD1 LEU A 17 5.193 1.929 -2.303 1.00 0.00 C ATOM 244 CD2 LEU A 17 5.842 4.254 -1.670 1.00 0.00 C ATOM 0 H LEU A 17 7.091 1.267 2.394 1.00 0.00 H new ATOM 0 HA LEU A 17 6.327 0.308 -0.283 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.927 2.317 0.259 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.376 3.226 0.640 1.00 0.00 H new ATOM 0 HG LEU A 17 7.180 2.563 -1.766 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.316 2.181 -3.356 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.410 0.871 -2.156 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.167 2.134 -1.998 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.962 4.506 -2.724 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.816 4.457 -1.363 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.526 4.857 -1.073 1.00 0.00 H new ATOM 256 N PHE A 18 8.664 0.583 -1.006 1.00 0.00 N ATOM 257 CA PHE A 18 10.060 0.684 -1.413 1.00 0.00 C ATOM 258 C PHE A 18 10.176 1.694 -2.546 1.00 0.00 C ATOM 259 O PHE A 18 9.539 1.543 -3.588 1.00 0.00 O ATOM 260 CB PHE A 18 10.577 -0.677 -1.889 1.00 0.00 C ATOM 261 CG PHE A 18 10.720 -1.617 -0.714 1.00 0.00 C ATOM 262 CD1 PHE A 18 11.885 -1.591 0.062 1.00 0.00 C ATOM 263 CD2 PHE A 18 9.694 -2.520 -0.407 1.00 0.00 C ATOM 264 CE1 PHE A 18 12.025 -2.466 1.145 1.00 0.00 C ATOM 265 CE2 PHE A 18 9.834 -3.396 0.677 1.00 0.00 C ATOM 266 CZ PHE A 18 11.001 -3.369 1.452 1.00 0.00 C ATOM 0 H PHE A 18 8.098 -0.049 -1.572 1.00 0.00 H new ATOM 0 HA PHE A 18 10.658 1.007 -0.561 1.00 0.00 H new ATOM 0 HB2 PHE A 18 9.890 -1.100 -2.622 1.00 0.00 H new ATOM 0 HB3 PHE A 18 11.539 -0.556 -2.387 1.00 0.00 H new ATOM 0 HD1 PHE A 18 12.676 -0.895 -0.175 1.00 0.00 H new ATOM 0 HD2 PHE A 18 8.795 -2.541 -1.006 1.00 0.00 H new ATOM 0 HE1 PHE A 18 12.923 -2.444 1.744 1.00 0.00 H new ATOM 0 HE2 PHE A 18 9.043 -4.092 0.915 1.00 0.00 H new ATOM 0 HZ PHE A 18 11.110 -4.045 2.287 1.00 0.00 H new ATOM 276 N VAL A 19 10.968 2.740 -2.335 1.00 0.00 N ATOM 277 CA VAL A 19 11.116 3.770 -3.355 1.00 0.00 C ATOM 278 C VAL A 19 12.572 4.153 -3.580 1.00 0.00 C ATOM 279 O VAL A 19 13.429 3.959 -2.715 1.00 0.00 O ATOM 280 CB VAL A 19 10.335 5.012 -2.943 1.00 0.00 C ATOM 281 CG1 VAL A 19 8.927 4.608 -2.502 1.00 0.00 C ATOM 282 CG2 VAL A 19 11.059 5.702 -1.786 1.00 0.00 C ATOM 0 H VAL A 19 11.508 2.895 -1.484 1.00 0.00 H new ATOM 0 HA VAL A 19 10.728 3.362 -4.288 1.00 0.00 H new ATOM 0 HB VAL A 19 10.264 5.697 -3.788 1.00 0.00 H new ATOM 0 HG11 VAL A 19 8.369 5.497 -2.207 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.414 4.115 -3.328 1.00 0.00 H new ATOM 0 HG13 VAL A 19 8.993 3.924 -1.656 1.00 0.00 H new ATOM 0 HG21 VAL A 19 10.504 6.591 -1.488 1.00 0.00 H new ATOM 0 HG22 VAL A 19 11.129 5.018 -0.941 1.00 0.00 H new ATOM 0 HG23 VAL A 19 12.061 5.990 -2.104 1.00 0.00 H new ATOM 292 N ASP A 20 12.828 4.724 -4.753 1.00 0.00 N ATOM 293 CA ASP A 20 14.163 5.177 -5.119 1.00 0.00 C ATOM 294 C ASP A 20 14.253 6.695 -4.977 1.00 0.00 C ATOM 295 O ASP A 20 15.130 7.330 -5.562 1.00 0.00 O ATOM 296 CB ASP A 20 14.475 4.774 -6.560 1.00 0.00 C ATOM 297 CG ASP A 20 13.478 5.429 -7.510 1.00 0.00 C ATOM 298 OD1 ASP A 20 12.435 5.855 -7.041 1.00 0.00 O ATOM 299 OD2 ASP A 20 13.771 5.495 -8.692 1.00 0.00 O ATOM 0 H ASP A 20 12.121 4.884 -5.471 1.00 0.00 H new ATOM 0 HA ASP A 20 14.890 4.711 -4.454 1.00 0.00 H new ATOM 0 HB2 ASP A 20 15.490 5.076 -6.819 1.00 0.00 H new ATOM 0 HB3 ASP A 20 14.429 3.690 -6.662 1.00 0.00 H new ATOM 304 N THR A 21 13.326 7.262 -4.206 1.00 0.00 N ATOM 305 CA THR A 21 13.275 8.709 -3.985 1.00 0.00 C ATOM 306 C THR A 21 12.878 9.451 -5.261 1.00 0.00 C ATOM 307 O THR A 21 12.889 10.682 -5.301 1.00 0.00 O ATOM 308 CB THR A 21 14.626 9.227 -3.479 1.00 0.00 C ATOM 309 OG1 THR A 21 15.576 9.198 -4.534 1.00 0.00 O ATOM 310 CG2 THR A 21 15.107 8.349 -2.325 1.00 0.00 C ATOM 0 H THR A 21 12.596 6.739 -3.721 1.00 0.00 H new ATOM 0 HA THR A 21 12.516 8.899 -3.227 1.00 0.00 H new ATOM 0 HB THR A 21 14.513 10.253 -3.130 1.00 0.00 H new ATOM 0 HG1 THR A 21 15.620 8.294 -4.910 1.00 0.00 H new ATOM 0 HG21 THR A 21 16.068 8.716 -1.964 1.00 0.00 H new ATOM 0 HG22 THR A 21 14.379 8.382 -1.515 1.00 0.00 H new ATOM 0 HG23 THR A 21 15.218 7.322 -2.671 1.00 0.00 H new ATOM 318 N ARG A 22 12.507 8.700 -6.293 1.00 0.00 N ATOM 319 CA ARG A 22 12.088 9.304 -7.552 1.00 0.00 C ATOM 320 C ARG A 22 10.710 9.944 -7.383 1.00 0.00 C ATOM 321 O ARG A 22 9.885 9.460 -6.608 1.00 0.00 O ATOM 322 CB ARG A 22 12.031 8.237 -8.647 1.00 0.00 C ATOM 323 CG ARG A 22 10.729 7.450 -8.512 1.00 0.00 C ATOM 324 CD ARG A 22 10.732 6.274 -9.490 1.00 0.00 C ATOM 325 NE ARG A 22 10.785 6.760 -10.863 1.00 0.00 N ATOM 326 CZ ARG A 22 11.214 5.981 -11.849 1.00 0.00 C ATOM 327 NH1 ARG A 22 12.324 5.306 -11.711 1.00 0.00 N ATOM 328 NH2 ARG A 22 10.527 5.888 -12.955 1.00 0.00 N ATOM 0 H ARG A 22 12.488 7.680 -6.283 1.00 0.00 H new ATOM 0 HA ARG A 22 12.808 10.071 -7.838 1.00 0.00 H new ATOM 0 HB2 ARG A 22 12.088 8.704 -9.630 1.00 0.00 H new ATOM 0 HB3 ARG A 22 12.886 7.566 -8.563 1.00 0.00 H new ATOM 0 HG2 ARG A 22 10.618 7.086 -7.491 1.00 0.00 H new ATOM 0 HG3 ARG A 22 9.878 8.100 -8.713 1.00 0.00 H new ATOM 0 HD2 ARG A 22 11.588 5.629 -9.292 1.00 0.00 H new ATOM 0 HD3 ARG A 22 9.837 5.669 -9.345 1.00 0.00 H new ATOM 0 HE ARG A 22 10.488 7.714 -11.070 1.00 0.00 H new ATOM 0 HH11 ARG A 22 12.860 5.378 -10.846 1.00 0.00 H new ATOM 0 HH12 ARG A 22 12.654 4.707 -12.468 1.00 0.00 H new ATOM 0 HH21 ARG A 22 9.660 6.414 -13.062 1.00 0.00 H new ATOM 0 HH22 ARG A 22 10.857 5.289 -13.712 1.00 0.00 H new ATOM 342 N PRO A 23 10.451 11.018 -8.078 1.00 0.00 N ATOM 343 CA PRO A 23 9.149 11.734 -7.985 1.00 0.00 C ATOM 344 C PRO A 23 7.967 10.796 -8.197 1.00 0.00 C ATOM 345 O PRO A 23 6.946 10.914 -7.523 1.00 0.00 O ATOM 346 CB PRO A 23 9.188 12.778 -9.105 1.00 0.00 C ATOM 347 CG PRO A 23 10.491 12.615 -9.825 1.00 0.00 C ATOM 348 CD PRO A 23 11.372 11.662 -9.014 1.00 0.00 C ATOM 0 HA PRO A 23 9.017 12.174 -6.996 1.00 0.00 H new ATOM 0 HB2 PRO A 23 8.351 12.638 -9.789 1.00 0.00 H new ATOM 0 HB3 PRO A 23 9.099 13.784 -8.695 1.00 0.00 H new ATOM 0 HG2 PRO A 23 10.324 12.218 -10.827 1.00 0.00 H new ATOM 0 HG3 PRO A 23 10.983 13.580 -9.942 1.00 0.00 H new ATOM 0 HD2 PRO A 23 11.861 10.930 -9.657 1.00 0.00 H new ATOM 0 HD3 PRO A 23 12.160 12.201 -8.488 1.00 0.00 H new ATOM 356 N LEU A 24 8.113 9.868 -9.141 1.00 0.00 N ATOM 357 CA LEU A 24 7.044 8.923 -9.437 1.00 0.00 C ATOM 358 C LEU A 24 6.604 8.213 -8.163 1.00 0.00 C ATOM 359 O LEU A 24 5.410 8.048 -7.914 1.00 0.00 O ATOM 360 CB LEU A 24 7.537 7.892 -10.454 1.00 0.00 C ATOM 361 CG LEU A 24 6.403 6.935 -10.817 1.00 0.00 C ATOM 362 CD1 LEU A 24 5.468 7.604 -11.825 1.00 0.00 C ATOM 363 CD2 LEU A 24 6.998 5.667 -11.431 1.00 0.00 C ATOM 0 H LEU A 24 8.953 9.752 -9.708 1.00 0.00 H new ATOM 0 HA LEU A 24 6.195 9.467 -9.852 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.899 8.397 -11.350 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.377 7.334 -10.041 1.00 0.00 H new ATOM 0 HG LEU A 24 5.837 6.679 -9.921 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.660 6.919 -12.082 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.050 8.510 -11.387 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.027 7.860 -12.725 1.00 0.00 H new ATOM 0 HD21 LEU A 24 6.195 4.978 -11.693 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.561 5.926 -12.328 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.663 5.191 -10.710 1.00 0.00 H new ATOM 375 N SER A 25 7.573 7.813 -7.348 1.00 0.00 N ATOM 376 CA SER A 25 7.264 7.145 -6.095 1.00 0.00 C ATOM 377 C SER A 25 6.558 8.115 -5.162 1.00 0.00 C ATOM 378 O SER A 25 5.555 7.778 -4.538 1.00 0.00 O ATOM 379 CB SER A 25 8.544 6.644 -5.433 1.00 0.00 C ATOM 380 OG SER A 25 9.310 7.754 -4.986 1.00 0.00 O ATOM 0 H SER A 25 8.568 7.939 -7.532 1.00 0.00 H new ATOM 0 HA SER A 25 6.615 6.294 -6.300 1.00 0.00 H new ATOM 0 HB2 SER A 25 8.301 5.994 -4.593 1.00 0.00 H new ATOM 0 HB3 SER A 25 9.123 6.049 -6.139 1.00 0.00 H new ATOM 0 HG SER A 25 9.839 8.108 -5.731 1.00 0.00 H new ATOM 386 N GLN A 26 7.076 9.338 -5.098 1.00 0.00 N ATOM 387 CA GLN A 26 6.471 10.360 -4.262 1.00 0.00 C ATOM 388 C GLN A 26 5.079 10.652 -4.802 1.00 0.00 C ATOM 389 O GLN A 26 4.143 10.936 -4.054 1.00 0.00 O ATOM 390 CB GLN A 26 7.320 11.634 -4.291 1.00 0.00 C ATOM 391 CG GLN A 26 8.768 11.306 -3.905 1.00 0.00 C ATOM 392 CD GLN A 26 8.811 10.520 -2.598 1.00 0.00 C ATOM 393 OE1 GLN A 26 8.097 10.845 -1.651 1.00 0.00 O ATOM 394 NE2 GLN A 26 9.620 9.500 -2.491 1.00 0.00 N ATOM 0 H GLN A 26 7.905 9.640 -5.611 1.00 0.00 H new ATOM 0 HA GLN A 26 6.410 10.012 -3.231 1.00 0.00 H new ATOM 0 HB2 GLN A 26 7.291 12.078 -5.286 1.00 0.00 H new ATOM 0 HB3 GLN A 26 6.909 12.371 -3.601 1.00 0.00 H new ATOM 0 HG2 GLN A 26 9.239 10.727 -4.699 1.00 0.00 H new ATOM 0 HG3 GLN A 26 9.340 12.228 -3.800 1.00 0.00 H new ATOM 0 HE21 GLN A 26 10.211 9.233 -3.278 1.00 0.00 H new ATOM 0 HE22 GLN A 26 9.661 8.971 -1.620 1.00 0.00 H new ATOM 403 N HIS A 27 4.968 10.555 -6.122 1.00 0.00 N ATOM 404 CA HIS A 27 3.710 10.777 -6.821 1.00 0.00 C ATOM 405 C HIS A 27 2.716 9.697 -6.396 1.00 0.00 C ATOM 406 O HIS A 27 1.621 9.975 -5.894 1.00 0.00 O ATOM 407 CB HIS A 27 3.984 10.650 -8.323 1.00 0.00 C ATOM 408 CG HIS A 27 3.127 11.586 -9.121 1.00 0.00 C ATOM 409 ND1 HIS A 27 1.893 12.044 -8.691 1.00 0.00 N ATOM 410 CD2 HIS A 27 3.343 12.167 -10.343 1.00 0.00 C ATOM 411 CE1 HIS A 27 1.415 12.867 -9.646 1.00 0.00 C ATOM 412 NE2 HIS A 27 2.261 12.976 -10.676 1.00 0.00 N ATOM 0 H HIS A 27 5.748 10.320 -6.736 1.00 0.00 H new ATOM 0 HA HIS A 27 3.301 11.760 -6.589 1.00 0.00 H new ATOM 0 HB2 HIS A 27 5.035 10.860 -8.521 1.00 0.00 H new ATOM 0 HB3 HIS A 27 3.798 9.624 -8.642 1.00 0.00 H new ATOM 0 HD2 HIS A 27 4.220 12.019 -10.955 1.00 0.00 H new ATOM 0 HE1 HIS A 27 0.464 13.376 -9.586 1.00 0.00 H new ATOM 0 HE2 HIS A 27 2.139 13.532 -11.523 1.00 0.00 H new ATOM 420 N ILE A 28 3.139 8.452 -6.590 1.00 0.00 N ATOM 421 CA ILE A 28 2.331 7.301 -6.226 1.00 0.00 C ATOM 422 C ILE A 28 2.116 7.251 -4.719 1.00 0.00 C ATOM 423 O ILE A 28 1.066 6.813 -4.250 1.00 0.00 O ATOM 424 CB ILE A 28 3.016 6.023 -6.708 1.00 0.00 C ATOM 425 CG1 ILE A 28 3.035 6.015 -8.237 1.00 0.00 C ATOM 426 CG2 ILE A 28 2.251 4.800 -6.198 1.00 0.00 C ATOM 427 CD1 ILE A 28 3.988 4.928 -8.731 1.00 0.00 C ATOM 0 H ILE A 28 4.043 8.217 -7.000 1.00 0.00 H new ATOM 0 HA ILE A 28 1.355 7.388 -6.704 1.00 0.00 H new ATOM 0 HB ILE A 28 4.036 5.988 -6.325 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.031 5.836 -8.622 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.351 6.988 -8.612 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.744 3.892 -6.545 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.234 4.810 -5.108 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.229 4.826 -6.577 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.001 4.923 -9.821 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.992 5.127 -8.357 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.652 3.957 -8.368 1.00 0.00 H new ATOM 439 N VAL A 29 3.107 7.714 -3.959 1.00 0.00 N ATOM 440 CA VAL A 29 2.974 7.718 -2.511 1.00 0.00 C ATOM 441 C VAL A 29 1.725 8.496 -2.136 1.00 0.00 C ATOM 442 O VAL A 29 0.948 8.068 -1.283 1.00 0.00 O ATOM 443 CB VAL A 29 4.207 8.344 -1.853 1.00 0.00 C ATOM 444 CG1 VAL A 29 3.930 8.583 -0.366 1.00 0.00 C ATOM 445 CG2 VAL A 29 5.395 7.388 -1.994 1.00 0.00 C ATOM 0 H VAL A 29 3.989 8.082 -4.315 1.00 0.00 H new ATOM 0 HA VAL A 29 2.891 6.691 -2.154 1.00 0.00 H new ATOM 0 HB VAL A 29 4.434 9.293 -2.339 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.809 9.029 0.101 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.080 9.257 -0.258 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.704 7.634 0.119 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.275 7.830 -1.527 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.161 6.442 -1.505 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.596 7.210 -3.051 1.00 0.00 H new ATOM 455 N GLN A 30 1.513 9.624 -2.807 1.00 0.00 N ATOM 456 CA GLN A 30 0.320 10.413 -2.551 1.00 0.00 C ATOM 457 C GLN A 30 -0.897 9.562 -2.857 1.00 0.00 C ATOM 458 O GLN A 30 -1.879 9.572 -2.116 1.00 0.00 O ATOM 459 CB GLN A 30 0.296 11.672 -3.421 1.00 0.00 C ATOM 460 CG GLN A 30 1.473 12.573 -3.057 1.00 0.00 C ATOM 461 CD GLN A 30 1.488 12.834 -1.555 1.00 0.00 C ATOM 462 OE1 GLN A 30 0.510 13.336 -1.001 1.00 0.00 O ATOM 463 NE2 GLN A 30 2.544 12.516 -0.861 1.00 0.00 N ATOM 0 H GLN A 30 2.139 10.004 -3.517 1.00 0.00 H new ATOM 0 HA GLN A 30 0.317 10.724 -1.506 1.00 0.00 H new ATOM 0 HB2 GLN A 30 0.348 11.398 -4.475 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -0.642 12.207 -3.276 1.00 0.00 H new ATOM 0 HG2 GLN A 30 2.408 12.103 -3.362 1.00 0.00 H new ATOM 0 HG3 GLN A 30 1.399 13.517 -3.597 1.00 0.00 H new ATOM 0 HE21 GLN A 30 3.352 12.100 -1.324 1.00 0.00 H new ATOM 0 HE22 GLN A 30 2.562 12.683 0.145 1.00 0.00 H new ATOM 472 N ARG A 31 -0.814 8.799 -3.946 1.00 0.00 N ATOM 473 CA ARG A 31 -1.916 7.925 -4.315 1.00 0.00 C ATOM 474 C ARG A 31 -2.125 6.868 -3.240 1.00 0.00 C ATOM 475 O ARG A 31 -3.253 6.565 -2.861 1.00 0.00 O ATOM 476 CB ARG A 31 -1.637 7.239 -5.643 1.00 0.00 C ATOM 477 CG ARG A 31 -1.634 8.284 -6.750 1.00 0.00 C ATOM 478 CD ARG A 31 -1.591 7.583 -8.097 1.00 0.00 C ATOM 479 NE ARG A 31 -2.874 6.961 -8.385 1.00 0.00 N ATOM 480 CZ ARG A 31 -3.338 6.890 -9.627 1.00 0.00 C ATOM 481 NH1 ARG A 31 -3.228 7.916 -10.426 1.00 0.00 N ATOM 482 NH2 ARG A 31 -3.900 5.791 -10.049 1.00 0.00 N ATOM 0 H ARG A 31 -0.011 8.770 -4.574 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.815 8.534 -4.412 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.676 6.726 -5.607 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.395 6.482 -5.842 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.525 8.908 -6.680 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -0.773 8.943 -6.642 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.343 8.300 -8.880 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.805 6.828 -8.096 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.426 6.573 -7.620 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.785 8.774 -10.097 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -3.585 7.860 -11.380 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -3.982 4.988 -9.425 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -4.257 5.734 -11.003 1.00 0.00 H new ATOM 496 N VAL A 32 -1.022 6.315 -2.743 1.00 0.00 N ATOM 497 CA VAL A 32 -1.101 5.298 -1.705 1.00 0.00 C ATOM 498 C VAL A 32 -1.753 5.883 -0.461 1.00 0.00 C ATOM 499 O VAL A 32 -2.708 5.322 0.075 1.00 0.00 O ATOM 500 CB VAL A 32 0.302 4.782 -1.372 1.00 0.00 C ATOM 501 CG1 VAL A 32 0.247 3.901 -0.123 1.00 0.00 C ATOM 502 CG2 VAL A 32 0.828 3.958 -2.549 1.00 0.00 C ATOM 0 H VAL A 32 -0.075 6.552 -3.039 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.706 4.465 -2.064 1.00 0.00 H new ATOM 0 HB VAL A 32 0.964 5.628 -1.187 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.248 3.537 0.110 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.131 4.484 0.717 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.415 3.054 -0.304 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.827 3.588 -2.317 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.162 3.114 -2.729 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.871 4.583 -3.441 1.00 0.00 H new ATOM 512 N LYS A 33 -1.241 7.027 -0.017 1.00 0.00 N ATOM 513 CA LYS A 33 -1.788 7.698 1.152 1.00 0.00 C ATOM 514 C LYS A 33 -3.223 8.148 0.902 1.00 0.00 C ATOM 515 O LYS A 33 -4.093 7.993 1.760 1.00 0.00 O ATOM 516 CB LYS A 33 -0.931 8.910 1.498 1.00 0.00 C ATOM 517 CG LYS A 33 0.450 8.440 1.945 1.00 0.00 C ATOM 518 CD LYS A 33 1.246 9.637 2.461 1.00 0.00 C ATOM 519 CE LYS A 33 2.679 9.207 2.771 1.00 0.00 C ATOM 520 NZ LYS A 33 2.753 8.701 4.169 1.00 0.00 N ATOM 0 H LYS A 33 -0.451 7.506 -0.449 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.785 6.992 1.983 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.842 9.566 0.632 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.404 9.490 2.290 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.355 7.687 2.727 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.975 7.971 1.113 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.248 10.433 1.716 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.775 10.040 3.357 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.996 8.431 2.075 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.359 10.049 2.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.728 8.408 4.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.467 9.454 4.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.115 7.887 4.278 1.00 0.00 H new ATOM 534 N ASN A 34 -3.458 8.716 -0.277 1.00 0.00 N ATOM 535 CA ASN A 34 -4.784 9.200 -0.635 1.00 0.00 C ATOM 536 C ASN A 34 -5.794 8.057 -0.668 1.00 0.00 C ATOM 537 O ASN A 34 -6.903 8.184 -0.151 1.00 0.00 O ATOM 538 CB ASN A 34 -4.717 9.882 -1.999 1.00 0.00 C ATOM 539 CG ASN A 34 -3.830 11.123 -1.915 1.00 0.00 C ATOM 540 OD1 ASN A 34 -2.980 11.378 -2.874 1.00 0.00 O flip ATOM 541 ND2 ASN A 34 -3.911 11.878 -0.944 1.00 0.00 N flip ATOM 0 H ASN A 34 -2.749 8.851 -0.998 1.00 0.00 H new ATOM 0 HA ASN A 34 -5.113 9.915 0.119 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -4.321 9.190 -2.742 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -5.719 10.161 -2.326 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -4.575 11.678 -0.196 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -3.314 12.703 -0.888 1.00 0.00 H new ATOM 548 N ILE A 35 -5.402 6.938 -1.265 1.00 0.00 N ATOM 549 CA ILE A 35 -6.285 5.780 -1.341 1.00 0.00 C ATOM 550 C ILE A 35 -6.486 5.168 0.042 1.00 0.00 C ATOM 551 O ILE A 35 -7.618 4.953 0.476 1.00 0.00 O ATOM 552 CB ILE A 35 -5.699 4.736 -2.287 1.00 0.00 C ATOM 553 CG1 ILE A 35 -5.701 5.287 -3.715 1.00 0.00 C ATOM 554 CG2 ILE A 35 -6.537 3.460 -2.231 1.00 0.00 C ATOM 555 CD1 ILE A 35 -4.948 4.326 -4.637 1.00 0.00 C ATOM 0 H ILE A 35 -4.488 6.808 -1.699 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.252 6.108 -1.723 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.677 4.507 -1.985 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.725 5.415 -4.065 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.232 6.271 -3.737 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.115 2.717 -2.908 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -6.534 3.067 -1.214 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.561 3.684 -2.531 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -4.950 4.720 -5.653 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.920 4.221 -4.291 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.437 3.352 -4.624 1.00 0.00 H new ATOM 567 N LEU A 36 -5.382 4.897 0.737 1.00 0.00 N ATOM 568 CA LEU A 36 -5.467 4.322 2.076 1.00 0.00 C ATOM 569 C LEU A 36 -6.212 5.269 3.001 1.00 0.00 C ATOM 570 O LEU A 36 -7.053 4.850 3.792 1.00 0.00 O ATOM 571 CB LEU A 36 -4.066 4.066 2.636 1.00 0.00 C ATOM 572 CG LEU A 36 -3.368 2.991 1.807 1.00 0.00 C ATOM 573 CD1 LEU A 36 -1.957 2.765 2.355 1.00 0.00 C ATOM 574 CD2 LEU A 36 -4.167 1.688 1.900 1.00 0.00 C ATOM 0 H LEU A 36 -4.433 5.063 0.401 1.00 0.00 H new ATOM 0 HA LEU A 36 -6.005 3.376 2.012 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.483 4.987 2.619 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.132 3.750 3.677 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.306 3.309 0.766 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.456 1.998 1.765 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.391 3.695 2.297 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.018 2.442 3.394 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.674 0.916 1.310 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.223 1.369 2.941 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.174 1.850 1.516 1.00 0.00 H new ATOM 586 N ALA A 37 -5.909 6.552 2.880 1.00 0.00 N ATOM 587 CA ALA A 37 -6.571 7.554 3.696 1.00 0.00 C ATOM 588 C ALA A 37 -8.026 7.662 3.273 1.00 0.00 C ATOM 589 O ALA A 37 -8.845 8.266 3.966 1.00 0.00 O ATOM 590 CB ALA A 37 -5.882 8.912 3.539 1.00 0.00 C ATOM 0 H ALA A 37 -5.215 6.921 2.230 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.513 7.256 4.743 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.391 9.652 4.157 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -4.841 8.830 3.853 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -5.923 9.222 2.495 1.00 0.00 H new ATOM 596 N ALA A 38 -8.339 7.071 2.122 1.00 0.00 N ATOM 597 CA ALA A 38 -9.700 7.108 1.607 1.00 0.00 C ATOM 598 C ALA A 38 -10.548 6.017 2.249 1.00 0.00 C ATOM 599 O ALA A 38 -11.774 6.115 2.294 1.00 0.00 O ATOM 600 CB ALA A 38 -9.688 6.921 0.089 1.00 0.00 C ATOM 0 H ALA A 38 -7.674 6.566 1.536 1.00 0.00 H new ATOM 0 HA ALA A 38 -10.134 8.078 1.851 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -10.710 6.950 -0.289 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -9.108 7.721 -0.372 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -9.238 5.959 -0.156 1.00 0.00 H new ATOM 606 N VAL A 39 -9.886 4.975 2.742 1.00 0.00 N ATOM 607 CA VAL A 39 -10.590 3.868 3.376 1.00 0.00 C ATOM 608 C VAL A 39 -10.779 4.127 4.868 1.00 0.00 C ATOM 609 O VAL A 39 -11.522 3.412 5.540 1.00 0.00 O ATOM 610 CB VAL A 39 -9.811 2.568 3.171 1.00 0.00 C ATOM 611 CG1 VAL A 39 -8.733 2.434 4.248 1.00 0.00 C ATOM 612 CG2 VAL A 39 -10.771 1.381 3.263 1.00 0.00 C ATOM 0 H VAL A 39 -8.871 4.875 2.715 1.00 0.00 H new ATOM 0 HA VAL A 39 -11.573 3.778 2.914 1.00 0.00 H new ATOM 0 HB VAL A 39 -9.338 2.583 2.189 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -8.181 1.506 4.097 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.047 3.279 4.183 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -9.201 2.422 5.232 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -10.218 0.453 3.117 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -11.244 1.371 4.245 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -11.537 1.472 2.493 1.00 0.00 H new ATOM 622 N GLU A 40 -10.104 5.153 5.382 1.00 0.00 N ATOM 623 CA GLU A 40 -10.216 5.484 6.797 1.00 0.00 C ATOM 624 C GLU A 40 -10.396 4.210 7.620 1.00 0.00 C ATOM 625 O GLU A 40 -9.463 3.424 7.772 1.00 0.00 O ATOM 626 CB GLU A 40 -11.409 6.419 7.018 1.00 0.00 C ATOM 627 CG GLU A 40 -11.414 6.911 8.465 1.00 0.00 C ATOM 628 CD GLU A 40 -12.667 7.738 8.730 1.00 0.00 C ATOM 629 OE1 GLU A 40 -13.444 7.913 7.805 1.00 0.00 O ATOM 630 OE2 GLU A 40 -12.833 8.185 9.853 1.00 0.00 O ATOM 0 H GLU A 40 -9.483 5.760 4.848 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.303 5.986 7.117 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.351 7.267 6.335 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.340 5.896 6.798 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.378 6.061 9.147 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -10.525 7.511 8.657 1.00 0.00 H new ATOM 637 N ALA A 41 -11.605 4.012 8.137 1.00 0.00 N ATOM 638 CA ALA A 41 -11.906 2.825 8.933 1.00 0.00 C ATOM 639 C ALA A 41 -11.407 2.984 10.366 1.00 0.00 C ATOM 640 O ALA A 41 -10.617 3.881 10.665 1.00 0.00 O ATOM 641 CB ALA A 41 -11.263 1.591 8.300 1.00 0.00 C ATOM 0 H ALA A 41 -12.389 4.654 8.020 1.00 0.00 H new ATOM 0 HA ALA A 41 -12.989 2.700 8.956 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.494 0.712 8.901 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.654 1.454 7.292 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.182 1.726 8.255 1.00 0.00 H new ATOM 647 N THR A 42 -11.875 2.103 11.246 1.00 0.00 N ATOM 648 CA THR A 42 -11.477 2.144 12.649 1.00 0.00 C ATOM 649 C THR A 42 -10.072 1.576 12.835 1.00 0.00 C ATOM 650 O THR A 42 -9.501 1.649 13.924 1.00 0.00 O ATOM 651 CB THR A 42 -12.466 1.334 13.490 1.00 0.00 C ATOM 652 OG1 THR A 42 -12.453 -0.019 13.058 1.00 0.00 O ATOM 653 CG2 THR A 42 -13.873 1.911 13.331 1.00 0.00 C ATOM 0 H THR A 42 -12.528 1.355 11.013 1.00 0.00 H new ATOM 0 HA THR A 42 -11.478 3.184 12.974 1.00 0.00 H new ATOM 0 HB THR A 42 -12.176 1.384 14.539 1.00 0.00 H new ATOM 0 HG1 THR A 42 -13.084 -0.540 13.596 1.00 0.00 H new ATOM 0 HG21 THR A 42 -14.574 1.331 13.931 1.00 0.00 H new ATOM 0 HG22 THR A 42 -13.881 2.949 13.665 1.00 0.00 H new ATOM 0 HG23 THR A 42 -14.169 1.865 12.283 1.00 0.00 H new ATOM 661 N VAL A 43 -9.522 1.008 11.768 1.00 0.00 N ATOM 662 CA VAL A 43 -8.190 0.429 11.823 1.00 0.00 C ATOM 663 C VAL A 43 -7.247 1.159 10.869 1.00 0.00 C ATOM 664 O VAL A 43 -6.952 0.664 9.781 1.00 0.00 O ATOM 665 CB VAL A 43 -8.263 -1.047 11.440 1.00 0.00 C ATOM 666 CG1 VAL A 43 -8.706 -1.871 12.653 1.00 0.00 C ATOM 667 CG2 VAL A 43 -9.276 -1.224 10.306 1.00 0.00 C ATOM 0 H VAL A 43 -9.978 0.937 10.858 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.805 0.529 12.838 1.00 0.00 H new ATOM 0 HB VAL A 43 -7.281 -1.388 11.112 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.758 -2.924 12.378 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.987 -1.742 13.462 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -9.689 -1.534 12.983 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -9.332 -2.277 10.029 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -10.257 -0.884 10.638 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.962 -0.638 9.443 1.00 0.00 H new ATOM 677 N PRO A 44 -6.774 2.321 11.248 1.00 0.00 N ATOM 678 CA PRO A 44 -5.853 3.114 10.391 1.00 0.00 C ATOM 679 C PRO A 44 -4.638 2.297 9.964 1.00 0.00 C ATOM 680 O PRO A 44 -4.221 1.375 10.664 1.00 0.00 O ATOM 681 CB PRO A 44 -5.425 4.309 11.251 1.00 0.00 C ATOM 682 CG PRO A 44 -6.105 4.179 12.579 1.00 0.00 C ATOM 683 CD PRO A 44 -7.069 2.991 12.522 1.00 0.00 C ATOM 0 HA PRO A 44 -6.344 3.425 9.469 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.342 4.323 11.375 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -5.703 5.246 10.769 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -5.368 4.030 13.368 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -6.647 5.094 12.817 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -6.916 2.318 13.366 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -8.107 3.323 12.562 1.00 0.00 H new ATOM 691 N ILE A 45 -4.079 2.638 8.808 1.00 0.00 N ATOM 692 CA ILE A 45 -2.916 1.925 8.294 1.00 0.00 C ATOM 693 C ILE A 45 -1.640 2.727 8.523 1.00 0.00 C ATOM 694 O ILE A 45 -1.640 3.953 8.409 1.00 0.00 O ATOM 695 CB ILE A 45 -3.078 1.670 6.797 1.00 0.00 C ATOM 696 CG1 ILE A 45 -4.361 0.872 6.552 1.00 0.00 C ATOM 697 CG2 ILE A 45 -1.869 0.880 6.280 1.00 0.00 C ATOM 698 CD1 ILE A 45 -5.513 1.836 6.263 1.00 0.00 C ATOM 0 H ILE A 45 -4.409 3.398 8.213 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.841 0.977 8.827 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.139 2.621 6.268 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.224 0.191 5.712 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.594 0.261 7.424 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.984 0.697 5.212 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.958 1.453 6.455 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.805 -0.073 6.806 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.427 1.269 6.088 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -5.655 2.499 7.116 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.279 2.428 5.378 1.00 0.00 H new ATOM 710 N SER A 46 -0.548 2.029 8.821 1.00 0.00 N ATOM 711 CA SER A 46 0.727 2.697 9.034 1.00 0.00 C ATOM 712 C SER A 46 1.585 2.545 7.784 1.00 0.00 C ATOM 713 O SER A 46 1.871 1.430 7.352 1.00 0.00 O ATOM 714 CB SER A 46 1.450 2.091 10.237 1.00 0.00 C ATOM 715 OG SER A 46 2.471 2.980 10.668 1.00 0.00 O ATOM 0 H SER A 46 -0.522 1.014 8.919 1.00 0.00 H new ATOM 0 HA SER A 46 0.550 3.754 9.233 1.00 0.00 H new ATOM 0 HB2 SER A 46 0.744 1.910 11.047 1.00 0.00 H new ATOM 0 HB3 SER A 46 1.881 1.126 9.969 1.00 0.00 H new ATOM 0 HG SER A 46 2.935 2.595 11.440 1.00 0.00 H new ATOM 721 N LEU A 47 1.971 3.669 7.195 1.00 0.00 N ATOM 722 CA LEU A 47 2.772 3.637 5.979 1.00 0.00 C ATOM 723 C LEU A 47 4.244 3.904 6.281 1.00 0.00 C ATOM 724 O LEU A 47 4.587 4.901 6.917 1.00 0.00 O ATOM 725 CB LEU A 47 2.260 4.691 4.995 1.00 0.00 C ATOM 726 CG LEU A 47 2.396 4.174 3.561 1.00 0.00 C ATOM 727 CD1 LEU A 47 2.101 5.314 2.584 1.00 0.00 C ATOM 728 CD2 LEU A 47 3.820 3.658 3.326 1.00 0.00 C ATOM 0 H LEU A 47 1.746 4.604 7.535 1.00 0.00 H new ATOM 0 HA LEU A 47 2.682 2.643 5.542 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.217 4.925 5.209 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.825 5.616 5.113 1.00 0.00 H new ATOM 0 HG LEU A 47 1.689 3.359 3.403 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.197 4.950 1.561 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.087 5.679 2.746 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.809 6.126 2.748 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.910 3.291 2.303 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.531 4.468 3.485 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.033 2.847 4.022 1.00 0.00 H new ATOM 740 N GLN A 48 5.106 3.014 5.804 1.00 0.00 N ATOM 741 CA GLN A 48 6.537 3.161 6.007 1.00 0.00 C ATOM 742 C GLN A 48 7.273 3.008 4.680 1.00 0.00 C ATOM 743 O GLN A 48 7.114 2.016 3.977 1.00 0.00 O ATOM 744 CB GLN A 48 7.029 2.113 7.002 1.00 0.00 C ATOM 745 CG GLN A 48 6.966 2.680 8.420 1.00 0.00 C ATOM 746 CD GLN A 48 7.563 1.682 9.405 1.00 0.00 C ATOM 747 OE1 GLN A 48 7.771 0.518 9.061 1.00 0.00 O ATOM 748 NE2 GLN A 48 7.857 2.069 10.617 1.00 0.00 N ATOM 0 H GLN A 48 4.837 2.185 5.275 1.00 0.00 H new ATOM 0 HA GLN A 48 6.739 4.154 6.408 1.00 0.00 H new ATOM 0 HB2 GLN A 48 6.416 1.215 6.932 1.00 0.00 H new ATOM 0 HB3 GLN A 48 8.051 1.821 6.762 1.00 0.00 H new ATOM 0 HG2 GLN A 48 7.511 3.623 8.469 1.00 0.00 H new ATOM 0 HG3 GLN A 48 5.932 2.896 8.689 1.00 0.00 H new ATOM 0 HE21 GLN A 48 7.684 3.033 10.900 1.00 0.00 H new ATOM 0 HE22 GLN A 48 8.260 1.407 11.280 1.00 0.00 H new ATOM 757 N VAL A 49 8.078 4.000 4.337 1.00 0.00 N ATOM 758 CA VAL A 49 8.821 3.955 3.085 1.00 0.00 C ATOM 759 C VAL A 49 10.261 3.547 3.332 1.00 0.00 C ATOM 760 O VAL A 49 10.917 4.064 4.236 1.00 0.00 O ATOM 761 CB VAL A 49 8.807 5.318 2.392 1.00 0.00 C ATOM 762 CG1 VAL A 49 9.358 5.171 0.971 1.00 0.00 C ATOM 763 CG2 VAL A 49 7.374 5.854 2.335 1.00 0.00 C ATOM 0 H VAL A 49 8.234 4.837 4.899 1.00 0.00 H new ATOM 0 HA VAL A 49 8.336 3.219 2.444 1.00 0.00 H new ATOM 0 HB VAL A 49 9.428 6.016 2.953 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.349 6.142 0.475 1.00 0.00 H new ATOM 0 HG12 VAL A 49 10.380 4.795 1.014 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.738 4.471 0.411 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.368 6.825 1.841 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.747 5.159 1.776 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.985 5.960 3.348 1.00 0.00 H new ATOM 773 N ILE A 50 10.753 2.634 2.512 1.00 0.00 N ATOM 774 CA ILE A 50 12.124 2.183 2.636 1.00 0.00 C ATOM 775 C ILE A 50 12.897 2.581 1.388 1.00 0.00 C ATOM 776 O ILE A 50 12.487 2.273 0.269 1.00 0.00 O ATOM 777 CB ILE A 50 12.162 0.668 2.818 1.00 0.00 C ATOM 778 CG1 ILE A 50 11.245 0.284 3.980 1.00 0.00 C ATOM 779 CG2 ILE A 50 13.592 0.226 3.128 1.00 0.00 C ATOM 780 CD1 ILE A 50 11.454 -1.190 4.334 1.00 0.00 C ATOM 0 H ILE A 50 10.225 2.194 1.758 1.00 0.00 H new ATOM 0 HA ILE A 50 12.582 2.648 3.509 1.00 0.00 H new ATOM 0 HB ILE A 50 11.825 0.178 1.904 1.00 0.00 H new ATOM 0 HG12 ILE A 50 11.458 0.910 4.846 1.00 0.00 H new ATOM 0 HG13 ILE A 50 10.204 0.459 3.708 1.00 0.00 H new ATOM 0 HG21 ILE A 50 13.618 -0.856 3.258 1.00 0.00 H new ATOM 0 HG22 ILE A 50 14.247 0.509 2.304 1.00 0.00 H new ATOM 0 HG23 ILE A 50 13.932 0.710 4.044 1.00 0.00 H new ATOM 0 HD11 ILE A 50 10.800 -1.462 5.162 1.00 0.00 H new ATOM 0 HD12 ILE A 50 11.219 -1.809 3.468 1.00 0.00 H new ATOM 0 HD13 ILE A 50 12.492 -1.351 4.624 1.00 0.00 H new ATOM 792 N ASN A 51 14.004 3.282 1.582 1.00 0.00 N ATOM 793 CA ASN A 51 14.804 3.727 0.454 1.00 0.00 C ATOM 794 C ASN A 51 15.743 2.610 0.001 1.00 0.00 C ATOM 795 O ASN A 51 16.733 2.311 0.669 1.00 0.00 O ATOM 796 CB ASN A 51 15.612 4.963 0.852 1.00 0.00 C ATOM 797 CG ASN A 51 16.151 5.660 -0.391 1.00 0.00 C ATOM 798 OD1 ASN A 51 16.047 5.130 -1.495 1.00 0.00 O ATOM 799 ND2 ASN A 51 16.721 6.829 -0.274 1.00 0.00 N ATOM 0 H ASN A 51 14.364 3.552 2.497 1.00 0.00 H new ATOM 0 HA ASN A 51 14.142 3.983 -0.373 1.00 0.00 H new ATOM 0 HB2 ASN A 51 14.984 5.650 1.420 1.00 0.00 H new ATOM 0 HB3 ASN A 51 16.437 4.673 1.502 1.00 0.00 H new ATOM 0 HD21 ASN A 51 17.082 7.305 -1.101 1.00 0.00 H new ATOM 0 HD22 ASN A 51 16.805 7.266 0.644 1.00 0.00 H new ATOM 806 N VAL A 52 15.421 1.988 -1.132 1.00 0.00 N ATOM 807 CA VAL A 52 16.242 0.897 -1.652 1.00 0.00 C ATOM 808 C VAL A 52 17.661 1.371 -1.942 1.00 0.00 C ATOM 809 O VAL A 52 18.599 0.574 -1.965 1.00 0.00 O ATOM 810 CB VAL A 52 15.624 0.327 -2.932 1.00 0.00 C ATOM 811 CG1 VAL A 52 14.193 -0.133 -2.649 1.00 0.00 C ATOM 812 CG2 VAL A 52 15.602 1.399 -4.026 1.00 0.00 C ATOM 0 H VAL A 52 14.607 2.218 -1.702 1.00 0.00 H new ATOM 0 HA VAL A 52 16.281 0.118 -0.891 1.00 0.00 H new ATOM 0 HB VAL A 52 16.223 -0.519 -3.268 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.754 -0.538 -3.561 1.00 0.00 H new ATOM 0 HG12 VAL A 52 14.204 -0.903 -1.878 1.00 0.00 H new ATOM 0 HG13 VAL A 52 13.599 0.715 -2.306 1.00 0.00 H new ATOM 0 HG21 VAL A 52 15.161 0.985 -4.933 1.00 0.00 H new ATOM 0 HG22 VAL A 52 15.009 2.250 -3.690 1.00 0.00 H new ATOM 0 HG23 VAL A 52 16.620 1.727 -4.235 1.00 0.00 H new ATOM 822 N ALA A 53 17.811 2.670 -2.163 1.00 0.00 N ATOM 823 CA ALA A 53 19.117 3.236 -2.453 1.00 0.00 C ATOM 824 C ALA A 53 19.985 3.215 -1.208 1.00 0.00 C ATOM 825 O ALA A 53 21.213 3.171 -1.294 1.00 0.00 O ATOM 826 CB ALA A 53 18.961 4.673 -2.950 1.00 0.00 C ATOM 0 H ALA A 53 17.048 3.347 -2.147 1.00 0.00 H new ATOM 0 HA ALA A 53 19.596 2.637 -3.228 1.00 0.00 H new ATOM 0 HB1 ALA A 53 19.944 5.092 -3.166 1.00 0.00 H new ATOM 0 HB2 ALA A 53 18.356 4.681 -3.857 1.00 0.00 H new ATOM 0 HB3 ALA A 53 18.472 5.272 -2.182 1.00 0.00 H new ATOM 832 N ASP A 54 19.340 3.250 -0.046 1.00 0.00 N ATOM 833 CA ASP A 54 20.067 3.237 1.206 1.00 0.00 C ATOM 834 C ASP A 54 20.158 1.820 1.758 1.00 0.00 C ATOM 835 O ASP A 54 21.003 1.530 2.606 1.00 0.00 O ATOM 836 CB ASP A 54 19.372 4.145 2.221 1.00 0.00 C ATOM 837 CG ASP A 54 19.408 5.590 1.732 1.00 0.00 C ATOM 838 OD1 ASP A 54 20.202 5.877 0.852 1.00 0.00 O ATOM 839 OD2 ASP A 54 18.637 6.387 2.242 1.00 0.00 O ATOM 0 H ASP A 54 18.325 3.287 0.049 1.00 0.00 H new ATOM 0 HA ASP A 54 21.077 3.605 1.024 1.00 0.00 H new ATOM 0 HB2 ASP A 54 18.340 3.825 2.362 1.00 0.00 H new ATOM 0 HB3 ASP A 54 19.865 4.067 3.190 1.00 0.00 H new ATOM 844 N GLN A 55 19.276 0.941 1.287 1.00 0.00 N ATOM 845 CA GLN A 55 19.275 -0.433 1.766 1.00 0.00 C ATOM 846 C GLN A 55 18.612 -1.384 0.767 1.00 0.00 C ATOM 847 O GLN A 55 17.491 -1.838 0.976 1.00 0.00 O ATOM 848 CB GLN A 55 18.553 -0.495 3.112 1.00 0.00 C ATOM 849 CG GLN A 55 17.177 0.168 3.004 1.00 0.00 C ATOM 850 CD GLN A 55 16.426 0.013 4.322 1.00 0.00 C ATOM 851 OE1 GLN A 55 16.552 -1.013 4.992 1.00 0.00 O ATOM 852 NE2 GLN A 55 15.647 0.975 4.737 1.00 0.00 N ATOM 0 H GLN A 55 18.566 1.153 0.586 1.00 0.00 H new ATOM 0 HA GLN A 55 20.310 -0.756 1.882 1.00 0.00 H new ATOM 0 HB2 GLN A 55 18.441 -1.533 3.426 1.00 0.00 H new ATOM 0 HB3 GLN A 55 19.148 0.006 3.876 1.00 0.00 H new ATOM 0 HG2 GLN A 55 17.290 1.225 2.761 1.00 0.00 H new ATOM 0 HG3 GLN A 55 16.607 -0.286 2.194 1.00 0.00 H new ATOM 0 HE21 GLN A 55 15.544 1.824 4.181 1.00 0.00 H new ATOM 0 HE22 GLN A 55 15.141 0.878 5.618 1.00 0.00 H new ATOM 861 N PRO A 56 19.295 -1.694 -0.299 1.00 0.00 N ATOM 862 CA PRO A 56 18.794 -2.619 -1.359 1.00 0.00 C ATOM 863 C PRO A 56 18.849 -4.086 -0.928 1.00 0.00 C ATOM 864 O PRO A 56 18.389 -4.981 -1.646 1.00 0.00 O ATOM 865 CB PRO A 56 19.735 -2.382 -2.549 1.00 0.00 C ATOM 866 CG PRO A 56 20.724 -1.336 -2.129 1.00 0.00 C ATOM 867 CD PRO A 56 20.633 -1.192 -0.612 1.00 0.00 C ATOM 0 HA PRO A 56 17.747 -2.422 -1.589 1.00 0.00 H new ATOM 0 HB2 PRO A 56 20.245 -3.305 -2.826 1.00 0.00 H new ATOM 0 HB3 PRO A 56 19.174 -2.052 -3.424 1.00 0.00 H new ATOM 0 HG2 PRO A 56 21.733 -1.623 -2.426 1.00 0.00 H new ATOM 0 HG3 PRO A 56 20.506 -0.386 -2.617 1.00 0.00 H new ATOM 0 HD2 PRO A 56 21.407 -1.771 -0.107 1.00 0.00 H new ATOM 0 HD3 PRO A 56 20.756 -0.155 -0.300 1.00 0.00 H new ATOM 875 N GLN A 57 19.446 -4.332 0.229 1.00 0.00 N ATOM 876 CA GLN A 57 19.597 -5.696 0.723 1.00 0.00 C ATOM 877 C GLN A 57 18.256 -6.334 1.076 1.00 0.00 C ATOM 878 O GLN A 57 18.033 -7.506 0.774 1.00 0.00 O ATOM 879 CB GLN A 57 20.491 -5.700 1.960 1.00 0.00 C ATOM 880 CG GLN A 57 20.753 -7.143 2.392 1.00 0.00 C ATOM 881 CD GLN A 57 21.530 -7.164 3.703 1.00 0.00 C ATOM 882 OE1 GLN A 57 21.874 -6.109 4.239 1.00 0.00 O ATOM 883 NE2 GLN A 57 21.833 -8.307 4.253 1.00 0.00 N ATOM 0 H GLN A 57 19.832 -3.612 0.840 1.00 0.00 H new ATOM 0 HA GLN A 57 20.048 -6.282 -0.078 1.00 0.00 H new ATOM 0 HB2 GLN A 57 21.433 -5.197 1.743 1.00 0.00 H new ATOM 0 HB3 GLN A 57 20.014 -5.147 2.769 1.00 0.00 H new ATOM 0 HG2 GLN A 57 19.808 -7.672 2.512 1.00 0.00 H new ATOM 0 HG3 GLN A 57 21.315 -7.666 1.618 1.00 0.00 H new ATOM 0 HE21 GLN A 57 21.547 -9.179 3.808 1.00 0.00 H new ATOM 0 HE22 GLN A 57 22.356 -8.329 5.129 1.00 0.00 H new ATOM 892 N LEU A 58 17.359 -5.582 1.706 1.00 0.00 N ATOM 893 CA LEU A 58 16.066 -6.147 2.057 1.00 0.00 C ATOM 894 C LEU A 58 15.212 -6.287 0.802 1.00 0.00 C ATOM 895 O LEU A 58 14.294 -7.106 0.752 1.00 0.00 O ATOM 896 CB LEU A 58 15.343 -5.307 3.119 1.00 0.00 C ATOM 897 CG LEU A 58 15.711 -3.832 2.984 1.00 0.00 C ATOM 898 CD1 LEU A 58 15.333 -3.349 1.589 1.00 0.00 C ATOM 899 CD2 LEU A 58 14.936 -3.026 4.028 1.00 0.00 C ATOM 0 H LEU A 58 17.498 -4.608 1.976 1.00 0.00 H new ATOM 0 HA LEU A 58 16.232 -7.132 2.492 1.00 0.00 H new ATOM 0 HB2 LEU A 58 14.265 -5.429 3.014 1.00 0.00 H new ATOM 0 HB3 LEU A 58 15.609 -5.663 4.114 1.00 0.00 H new ATOM 0 HG LEU A 58 16.782 -3.700 3.139 1.00 0.00 H new ATOM 0 HD11 LEU A 58 15.593 -2.296 1.486 1.00 0.00 H new ATOM 0 HD12 LEU A 58 15.874 -3.931 0.843 1.00 0.00 H new ATOM 0 HD13 LEU A 58 14.261 -3.474 1.439 1.00 0.00 H new ATOM 0 HD21 LEU A 58 15.194 -1.971 3.938 1.00 0.00 H new ATOM 0 HD22 LEU A 58 13.866 -3.153 3.865 1.00 0.00 H new ATOM 0 HD23 LEU A 58 15.195 -3.379 5.026 1.00 0.00 H new ATOM 911 N VAL A 59 15.538 -5.497 -0.222 1.00 0.00 N ATOM 912 CA VAL A 59 14.811 -5.561 -1.483 1.00 0.00 C ATOM 913 C VAL A 59 14.993 -6.952 -2.079 1.00 0.00 C ATOM 914 O VAL A 59 14.032 -7.576 -2.530 1.00 0.00 O ATOM 915 CB VAL A 59 15.337 -4.478 -2.437 1.00 0.00 C ATOM 916 CG1 VAL A 59 14.806 -4.702 -3.848 1.00 0.00 C ATOM 917 CG2 VAL A 59 14.880 -3.104 -1.942 1.00 0.00 C ATOM 0 H VAL A 59 16.294 -4.813 -0.201 1.00 0.00 H new ATOM 0 HA VAL A 59 13.748 -5.380 -1.321 1.00 0.00 H new ATOM 0 HB VAL A 59 16.426 -4.528 -2.458 1.00 0.00 H new ATOM 0 HG11 VAL A 59 15.190 -3.925 -4.509 1.00 0.00 H new ATOM 0 HG12 VAL A 59 15.131 -5.678 -4.208 1.00 0.00 H new ATOM 0 HG13 VAL A 59 13.717 -4.664 -3.837 1.00 0.00 H new ATOM 0 HG21 VAL A 59 15.251 -2.332 -2.616 1.00 0.00 H new ATOM 0 HG22 VAL A 59 13.791 -3.070 -1.916 1.00 0.00 H new ATOM 0 HG23 VAL A 59 15.272 -2.929 -0.940 1.00 0.00 H new ATOM 927 N GLU A 60 16.230 -7.451 -2.037 1.00 0.00 N ATOM 928 CA GLU A 60 16.512 -8.796 -2.535 1.00 0.00 C ATOM 929 C GLU A 60 15.913 -9.835 -1.587 1.00 0.00 C ATOM 930 O GLU A 60 15.408 -10.869 -2.023 1.00 0.00 O ATOM 931 CB GLU A 60 18.022 -9.020 -2.650 1.00 0.00 C ATOM 932 CG GLU A 60 18.603 -8.096 -3.723 1.00 0.00 C ATOM 933 CD GLU A 60 20.091 -8.371 -3.892 1.00 0.00 C ATOM 934 OE1 GLU A 60 20.636 -9.095 -3.075 1.00 0.00 O ATOM 935 OE2 GLU A 60 20.666 -7.857 -4.837 1.00 0.00 O ATOM 0 H GLU A 60 17.040 -6.952 -1.669 1.00 0.00 H new ATOM 0 HA GLU A 60 16.064 -8.901 -3.523 1.00 0.00 H new ATOM 0 HB2 GLU A 60 18.502 -8.825 -1.691 1.00 0.00 H new ATOM 0 HB3 GLU A 60 18.226 -10.060 -2.903 1.00 0.00 H new ATOM 0 HG2 GLU A 60 18.085 -8.253 -4.669 1.00 0.00 H new ATOM 0 HG3 GLU A 60 18.446 -7.054 -3.442 1.00 0.00 H new ATOM 942 N TYR A 61 15.970 -9.543 -0.286 1.00 0.00 N ATOM 943 CA TYR A 61 15.424 -10.452 0.720 1.00 0.00 C ATOM 944 C TYR A 61 13.956 -10.725 0.431 1.00 0.00 C ATOM 945 O TYR A 61 13.494 -11.863 0.520 1.00 0.00 O ATOM 946 CB TYR A 61 15.570 -9.841 2.114 1.00 0.00 C ATOM 947 CG TYR A 61 15.024 -10.794 3.152 1.00 0.00 C ATOM 948 CD1 TYR A 61 15.709 -11.980 3.448 1.00 0.00 C ATOM 949 CD2 TYR A 61 13.830 -10.489 3.817 1.00 0.00 C ATOM 950 CE1 TYR A 61 15.198 -12.861 4.411 1.00 0.00 C ATOM 951 CE2 TYR A 61 13.320 -11.371 4.778 1.00 0.00 C ATOM 952 CZ TYR A 61 14.004 -12.556 5.076 1.00 0.00 C ATOM 953 OH TYR A 61 13.500 -13.424 6.023 1.00 0.00 O ATOM 0 H TYR A 61 16.385 -8.691 0.092 1.00 0.00 H new ATOM 0 HA TYR A 61 15.977 -11.391 0.683 1.00 0.00 H new ATOM 0 HB2 TYR A 61 16.619 -9.628 2.319 1.00 0.00 H new ATOM 0 HB3 TYR A 61 15.036 -8.892 2.162 1.00 0.00 H new ATOM 0 HD1 TYR A 61 16.630 -12.215 2.935 1.00 0.00 H new ATOM 0 HD2 TYR A 61 13.303 -9.574 3.589 1.00 0.00 H new ATOM 0 HE1 TYR A 61 15.725 -13.775 4.640 1.00 0.00 H new ATOM 0 HE2 TYR A 61 12.398 -11.137 5.290 1.00 0.00 H new ATOM 0 HH TYR A 61 12.666 -13.061 6.389 1.00 0.00 H new ATOM 963 N TYR A 62 13.235 -9.673 0.067 1.00 0.00 N ATOM 964 CA TYR A 62 11.827 -9.794 -0.258 1.00 0.00 C ATOM 965 C TYR A 62 11.677 -10.239 -1.706 1.00 0.00 C ATOM 966 O TYR A 62 10.591 -10.159 -2.283 1.00 0.00 O ATOM 967 CB TYR A 62 11.143 -8.437 -0.076 1.00 0.00 C ATOM 968 CG TYR A 62 11.085 -8.074 1.390 1.00 0.00 C ATOM 969 CD1 TYR A 62 10.378 -8.883 2.286 1.00 0.00 C ATOM 970 CD2 TYR A 62 11.734 -6.922 1.849 1.00 0.00 C ATOM 971 CE1 TYR A 62 10.318 -8.540 3.643 1.00 0.00 C ATOM 972 CE2 TYR A 62 11.675 -6.578 3.205 1.00 0.00 C ATOM 973 CZ TYR A 62 10.967 -7.389 4.103 1.00 0.00 C ATOM 974 OH TYR A 62 10.908 -7.051 5.440 1.00 0.00 O ATOM 0 H TYR A 62 13.606 -8.726 -0.010 1.00 0.00 H new ATOM 0 HA TYR A 62 11.366 -10.529 0.402 1.00 0.00 H new ATOM 0 HB2 TYR A 62 11.688 -7.670 -0.627 1.00 0.00 H new ATOM 0 HB3 TYR A 62 10.135 -8.471 -0.490 1.00 0.00 H new ATOM 0 HD1 TYR A 62 9.878 -9.772 1.931 1.00 0.00 H new ATOM 0 HD2 TYR A 62 12.280 -6.298 1.157 1.00 0.00 H new ATOM 0 HE1 TYR A 62 9.771 -9.164 4.334 1.00 0.00 H new ATOM 0 HE2 TYR A 62 12.175 -5.688 3.559 1.00 0.00 H new ATOM 0 HH TYR A 62 11.413 -6.225 5.591 1.00 0.00 H new ATOM 984 N ARG A 63 12.787 -10.671 -2.301 1.00 0.00 N ATOM 985 CA ARG A 63 12.778 -11.080 -3.697 1.00 0.00 C ATOM 986 C ARG A 63 12.301 -9.911 -4.539 1.00 0.00 C ATOM 987 O ARG A 63 12.185 -9.996 -5.761 1.00 0.00 O ATOM 988 CB ARG A 63 11.866 -12.286 -3.905 1.00 0.00 C ATOM 989 CG ARG A 63 12.448 -13.490 -3.167 1.00 0.00 C ATOM 990 CD ARG A 63 11.692 -14.747 -3.589 1.00 0.00 C ATOM 991 NE ARG A 63 10.257 -14.545 -3.432 1.00 0.00 N ATOM 992 CZ ARG A 63 9.472 -15.517 -2.981 1.00 0.00 C ATOM 993 NH1 ARG A 63 9.176 -16.528 -3.751 1.00 0.00 N ATOM 994 NH2 ARG A 63 9.001 -15.461 -1.766 1.00 0.00 N ATOM 0 H ARG A 63 13.694 -10.745 -1.841 1.00 0.00 H new ATOM 0 HA ARG A 63 13.785 -11.371 -3.996 1.00 0.00 H new ATOM 0 HB2 ARG A 63 10.864 -12.067 -3.535 1.00 0.00 H new ATOM 0 HB3 ARG A 63 11.772 -12.507 -4.968 1.00 0.00 H new ATOM 0 HG2 ARG A 63 13.509 -13.594 -3.395 1.00 0.00 H new ATOM 0 HG3 ARG A 63 12.367 -13.346 -2.090 1.00 0.00 H new ATOM 0 HD2 ARG A 63 11.922 -14.988 -4.627 1.00 0.00 H new ATOM 0 HD3 ARG A 63 12.016 -15.595 -2.986 1.00 0.00 H new ATOM 0 HE ARG A 63 9.849 -13.642 -3.673 1.00 0.00 H new ATOM 0 HH11 ARG A 63 9.547 -16.572 -4.700 1.00 0.00 H new ATOM 0 HH12 ARG A 63 8.573 -17.274 -3.404 1.00 0.00 H new ATOM 0 HH21 ARG A 63 9.236 -14.672 -1.164 1.00 0.00 H new ATOM 0 HH22 ARG A 63 8.398 -16.206 -1.418 1.00 0.00 H new ATOM 1008 N LEU A 64 12.052 -8.807 -3.849 1.00 0.00 N ATOM 1009 CA LEU A 64 11.612 -7.579 -4.480 1.00 0.00 C ATOM 1010 C LEU A 64 12.708 -7.118 -5.443 1.00 0.00 C ATOM 1011 O LEU A 64 13.881 -7.096 -5.077 1.00 0.00 O ATOM 1012 CB LEU A 64 11.363 -6.555 -3.358 1.00 0.00 C ATOM 1013 CG LEU A 64 10.552 -5.351 -3.845 1.00 0.00 C ATOM 1014 CD1 LEU A 64 11.182 -4.743 -5.095 1.00 0.00 C ATOM 1015 CD2 LEU A 64 9.125 -5.794 -4.155 1.00 0.00 C ATOM 0 H LEU A 64 12.151 -8.741 -2.836 1.00 0.00 H new ATOM 0 HA LEU A 64 10.693 -7.706 -5.053 1.00 0.00 H new ATOM 0 HB2 LEU A 64 10.834 -7.039 -2.537 1.00 0.00 H new ATOM 0 HB3 LEU A 64 12.319 -6.211 -2.963 1.00 0.00 H new ATOM 0 HG LEU A 64 10.544 -4.595 -3.060 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.589 -3.889 -5.423 1.00 0.00 H new ATOM 0 HD12 LEU A 64 12.196 -4.415 -4.868 1.00 0.00 H new ATOM 0 HD13 LEU A 64 11.211 -5.490 -5.888 1.00 0.00 H new ATOM 0 HD21 LEU A 64 8.546 -4.938 -4.502 1.00 0.00 H new ATOM 0 HD22 LEU A 64 9.142 -6.559 -4.931 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.667 -6.201 -3.254 1.00 0.00 H new ATOM 1027 N VAL A 65 12.345 -6.796 -6.682 1.00 0.00 N ATOM 1028 CA VAL A 65 13.353 -6.385 -7.660 1.00 0.00 C ATOM 1029 C VAL A 65 12.898 -5.191 -8.492 1.00 0.00 C ATOM 1030 O VAL A 65 13.687 -4.626 -9.252 1.00 0.00 O ATOM 1031 CB VAL A 65 13.668 -7.552 -8.597 1.00 0.00 C ATOM 1032 CG1 VAL A 65 15.083 -7.394 -9.155 1.00 0.00 C ATOM 1033 CG2 VAL A 65 13.567 -8.870 -7.826 1.00 0.00 C ATOM 0 H VAL A 65 11.386 -6.810 -7.029 1.00 0.00 H new ATOM 0 HA VAL A 65 14.242 -6.088 -7.103 1.00 0.00 H new ATOM 0 HB VAL A 65 12.953 -7.558 -9.420 1.00 0.00 H new ATOM 0 HG11 VAL A 65 15.306 -8.226 -9.822 1.00 0.00 H new ATOM 0 HG12 VAL A 65 15.154 -6.457 -9.707 1.00 0.00 H new ATOM 0 HG13 VAL A 65 15.799 -7.386 -8.333 1.00 0.00 H new ATOM 0 HG21 VAL A 65 13.792 -9.701 -8.495 1.00 0.00 H new ATOM 0 HG22 VAL A 65 14.280 -8.865 -7.002 1.00 0.00 H new ATOM 0 HG23 VAL A 65 12.557 -8.984 -7.432 1.00 0.00 H new ATOM 1043 N VAL A 66 11.636 -4.807 -8.366 1.00 0.00 N ATOM 1044 CA VAL A 66 11.129 -3.685 -9.134 1.00 0.00 C ATOM 1045 C VAL A 66 10.687 -2.552 -8.223 1.00 0.00 C ATOM 1046 O VAL A 66 10.121 -2.780 -7.154 1.00 0.00 O ATOM 1047 CB VAL A 66 9.949 -4.141 -9.985 1.00 0.00 C ATOM 1048 CG1 VAL A 66 10.437 -5.096 -11.073 1.00 0.00 C ATOM 1049 CG2 VAL A 66 8.929 -4.855 -9.100 1.00 0.00 C ATOM 0 H VAL A 66 10.955 -5.249 -7.749 1.00 0.00 H new ATOM 0 HA VAL A 66 11.932 -3.319 -9.774 1.00 0.00 H new ATOM 0 HB VAL A 66 9.483 -3.273 -10.451 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.591 -5.420 -11.679 1.00 0.00 H new ATOM 0 HG12 VAL A 66 11.163 -4.586 -11.706 1.00 0.00 H new ATOM 0 HG13 VAL A 66 10.906 -5.965 -10.611 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.085 -5.181 -9.708 1.00 0.00 H new ATOM 0 HG22 VAL A 66 9.396 -5.722 -8.633 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.577 -4.172 -8.327 1.00 0.00 H new ATOM 1059 N THR A 67 10.941 -1.327 -8.666 1.00 0.00 N ATOM 1060 CA THR A 67 10.561 -0.152 -7.899 1.00 0.00 C ATOM 1061 C THR A 67 9.939 0.895 -8.826 1.00 0.00 C ATOM 1062 O THR A 67 10.309 0.983 -9.997 1.00 0.00 O ATOM 1063 CB THR A 67 11.785 0.441 -7.196 1.00 0.00 C ATOM 1064 OG1 THR A 67 12.813 0.668 -8.151 1.00 0.00 O ATOM 1065 CG2 THR A 67 12.281 -0.531 -6.123 1.00 0.00 C ATOM 0 H THR A 67 11.407 -1.124 -9.550 1.00 0.00 H new ATOM 0 HA THR A 67 9.830 -0.446 -7.146 1.00 0.00 H new ATOM 0 HB THR A 67 11.514 1.386 -6.725 1.00 0.00 H new ATOM 0 HG1 THR A 67 13.597 1.049 -7.703 1.00 0.00 H new ATOM 0 HG21 THR A 67 13.152 -0.108 -5.623 1.00 0.00 H new ATOM 0 HG22 THR A 67 11.490 -0.701 -5.392 1.00 0.00 H new ATOM 0 HG23 THR A 67 12.554 -1.478 -6.588 1.00 0.00 H new ATOM 1073 N PRO A 68 9.011 1.679 -8.340 1.00 0.00 N ATOM 1074 CA PRO A 68 8.530 1.611 -6.934 1.00 0.00 C ATOM 1075 C PRO A 68 7.709 0.354 -6.671 1.00 0.00 C ATOM 1076 O PRO A 68 7.148 -0.240 -7.592 1.00 0.00 O ATOM 1077 CB PRO A 68 7.667 2.864 -6.747 1.00 0.00 C ATOM 1078 CG PRO A 68 7.679 3.611 -8.045 1.00 0.00 C ATOM 1079 CD PRO A 68 8.320 2.717 -9.105 1.00 0.00 C ATOM 0 HA PRO A 68 9.366 1.570 -6.235 1.00 0.00 H new ATOM 0 HB2 PRO A 68 6.649 2.591 -6.470 1.00 0.00 H new ATOM 0 HB3 PRO A 68 8.061 3.485 -5.942 1.00 0.00 H new ATOM 0 HG2 PRO A 68 6.664 3.880 -8.338 1.00 0.00 H new ATOM 0 HG3 PRO A 68 8.239 4.541 -7.943 1.00 0.00 H new ATOM 0 HD2 PRO A 68 7.569 2.288 -9.769 1.00 0.00 H new ATOM 0 HD3 PRO A 68 9.015 3.278 -9.730 1.00 0.00 H new ATOM 1087 N ALA A 69 7.661 -0.049 -5.411 1.00 0.00 N ATOM 1088 CA ALA A 69 6.928 -1.243 -5.031 1.00 0.00 C ATOM 1089 C ALA A 69 6.360 -1.081 -3.626 1.00 0.00 C ATOM 1090 O ALA A 69 6.915 -0.353 -2.803 1.00 0.00 O ATOM 1091 CB ALA A 69 7.865 -2.452 -5.068 1.00 0.00 C ATOM 0 H ALA A 69 8.120 0.432 -4.638 1.00 0.00 H new ATOM 0 HA ALA A 69 6.107 -1.396 -5.732 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.314 -3.348 -4.783 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.261 -2.575 -6.076 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.689 -2.295 -4.372 1.00 0.00 H new ATOM 1097 N LEU A 70 5.252 -1.756 -3.360 1.00 0.00 N ATOM 1098 CA LEU A 70 4.615 -1.673 -2.053 1.00 0.00 C ATOM 1099 C LEU A 70 4.406 -3.068 -1.479 1.00 0.00 C ATOM 1100 O LEU A 70 3.925 -3.965 -2.174 1.00 0.00 O ATOM 1101 CB LEU A 70 3.275 -0.950 -2.188 1.00 0.00 C ATOM 1102 CG LEU A 70 2.803 -0.472 -0.817 1.00 0.00 C ATOM 1103 CD1 LEU A 70 1.672 0.543 -0.993 1.00 0.00 C ATOM 1104 CD2 LEU A 70 2.304 -1.662 0.000 1.00 0.00 C ATOM 0 H LEU A 70 4.777 -2.364 -4.027 1.00 0.00 H new ATOM 0 HA LEU A 70 5.259 -1.115 -1.373 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.376 -0.101 -2.864 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.533 -1.619 -2.625 1.00 0.00 H new ATOM 0 HG LEU A 70 3.634 -0.001 -0.292 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.334 0.885 -0.015 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.034 1.394 -1.570 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.841 0.074 -1.520 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.968 -1.317 0.978 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.474 -2.139 -0.521 1.00 0.00 H new ATOM 0 HD23 LEU A 70 3.113 -2.381 0.127 1.00 0.00 H new ATOM 1116 N VAL A 71 4.778 -3.258 -0.216 1.00 0.00 N ATOM 1117 CA VAL A 71 4.626 -4.567 0.410 1.00 0.00 C ATOM 1118 C VAL A 71 3.920 -4.478 1.759 1.00 0.00 C ATOM 1119 O VAL A 71 4.325 -3.719 2.640 1.00 0.00 O ATOM 1120 CB VAL A 71 5.998 -5.219 0.600 1.00 0.00 C ATOM 1121 CG1 VAL A 71 5.812 -6.637 1.147 1.00 0.00 C ATOM 1122 CG2 VAL A 71 6.728 -5.283 -0.745 1.00 0.00 C ATOM 0 H VAL A 71 5.179 -2.537 0.384 1.00 0.00 H new ATOM 0 HA VAL A 71 4.010 -5.174 -0.254 1.00 0.00 H new ATOM 0 HB VAL A 71 6.587 -4.629 1.302 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.787 -7.105 1.284 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.293 -6.592 2.105 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.223 -7.224 0.442 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.704 -5.747 -0.607 1.00 0.00 H new ATOM 0 HG22 VAL A 71 6.142 -5.873 -1.450 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.858 -4.274 -1.137 1.00 0.00 H new ATOM 1132 N LYS A 72 2.875 -5.283 1.910 1.00 0.00 N ATOM 1133 CA LYS A 72 2.112 -5.336 3.153 1.00 0.00 C ATOM 1134 C LYS A 72 2.636 -6.458 4.042 1.00 0.00 C ATOM 1135 O LYS A 72 2.770 -7.595 3.591 1.00 0.00 O ATOM 1136 CB LYS A 72 0.639 -5.593 2.840 1.00 0.00 C ATOM 1137 CG LYS A 72 -0.181 -5.524 4.129 1.00 0.00 C ATOM 1138 CD LYS A 72 -1.369 -6.479 4.011 1.00 0.00 C ATOM 1139 CE LYS A 72 -2.517 -5.997 4.895 1.00 0.00 C ATOM 1140 NZ LYS A 72 -2.176 -6.230 6.326 1.00 0.00 N ATOM 0 H LYS A 72 2.534 -5.912 1.183 1.00 0.00 H new ATOM 0 HA LYS A 72 2.219 -4.384 3.672 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.275 -4.855 2.126 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.521 -6.572 2.375 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.438 -5.796 4.984 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.531 -4.506 4.299 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.698 -6.537 2.973 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.069 -7.484 4.307 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.702 -4.937 4.723 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.434 -6.527 4.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.884 -5.767 6.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -2.170 -7.252 6.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.236 -5.834 6.528 1.00 0.00 H new ATOM 1154 N ILE A 73 2.925 -6.147 5.301 1.00 0.00 N ATOM 1155 CA ILE A 73 3.423 -7.167 6.218 1.00 0.00 C ATOM 1156 C ILE A 73 2.314 -7.698 7.124 1.00 0.00 C ATOM 1157 O ILE A 73 2.441 -8.785 7.687 1.00 0.00 O ATOM 1158 CB ILE A 73 4.575 -6.621 7.064 1.00 0.00 C ATOM 1159 CG1 ILE A 73 4.436 -5.105 7.221 1.00 0.00 C ATOM 1160 CG2 ILE A 73 5.908 -6.948 6.388 1.00 0.00 C ATOM 1161 CD1 ILE A 73 5.104 -4.408 6.033 1.00 0.00 C ATOM 0 H ILE A 73 2.826 -5.216 5.705 1.00 0.00 H new ATOM 0 HA ILE A 73 3.791 -7.995 5.612 1.00 0.00 H new ATOM 0 HB ILE A 73 4.545 -7.085 8.050 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.383 -4.829 7.274 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.898 -4.781 8.154 1.00 0.00 H new ATOM 0 HG21 ILE A 73 6.727 -6.558 6.992 1.00 0.00 H new ATOM 0 HG22 ILE A 73 6.011 -8.029 6.291 1.00 0.00 H new ATOM 0 HG23 ILE A 73 5.936 -6.490 5.399 1.00 0.00 H new ATOM 0 HD11 ILE A 73 5.006 -3.328 6.143 1.00 0.00 H new ATOM 0 HD12 ILE A 73 6.160 -4.675 6.001 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.622 -4.724 5.108 1.00 0.00 H new ATOM 1173 N GLY A 74 1.219 -6.949 7.254 1.00 0.00 N ATOM 1174 CA GLY A 74 0.113 -7.405 8.087 1.00 0.00 C ATOM 1175 C GLY A 74 -0.642 -6.237 8.716 1.00 0.00 C ATOM 1176 O GLY A 74 -0.432 -5.080 8.354 1.00 0.00 O ATOM 0 H GLY A 74 1.077 -6.045 6.804 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.574 -8.000 7.485 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.495 -8.057 8.873 1.00 0.00 H new ATOM 1180 N PRO A 75 -1.520 -6.526 9.644 1.00 0.00 N ATOM 1181 CA PRO A 75 -1.786 -7.922 10.092 1.00 0.00 C ATOM 1182 C PRO A 75 -2.268 -8.809 8.948 1.00 0.00 C ATOM 1183 O PRO A 75 -2.767 -8.316 7.937 1.00 0.00 O ATOM 1184 CB PRO A 75 -2.871 -7.806 11.169 1.00 0.00 C ATOM 1185 CG PRO A 75 -3.209 -6.355 11.321 1.00 0.00 C ATOM 1186 CD PRO A 75 -2.345 -5.542 10.353 1.00 0.00 C ATOM 0 HA PRO A 75 -0.874 -8.387 10.467 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -3.755 -8.377 10.884 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -2.517 -8.217 12.114 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -4.266 -6.190 11.113 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -3.032 -6.032 12.347 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -2.963 -4.974 9.658 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -1.725 -4.823 10.889 1.00 0.00 H new ATOM 1194 N GLY A 76 -2.112 -10.119 9.112 1.00 0.00 N ATOM 1195 CA GLY A 76 -2.530 -11.061 8.081 1.00 0.00 C ATOM 1196 C GLY A 76 -1.335 -11.548 7.268 1.00 0.00 C ATOM 1197 O GLY A 76 -0.192 -11.472 7.719 1.00 0.00 O ATOM 0 H GLY A 76 -1.703 -10.549 9.941 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -3.031 -11.912 8.543 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -3.254 -10.585 7.420 1.00 0.00 H new ATOM 1201 N SER A 77 -1.607 -12.057 6.070 1.00 0.00 N ATOM 1202 CA SER A 77 -0.548 -12.563 5.207 1.00 0.00 C ATOM 1203 C SER A 77 0.206 -11.429 4.521 1.00 0.00 C ATOM 1204 O SER A 77 -0.288 -10.305 4.420 1.00 0.00 O ATOM 1205 CB SER A 77 -1.131 -13.497 4.149 1.00 0.00 C ATOM 1206 OG SER A 77 -0.211 -13.616 3.072 1.00 0.00 O ATOM 0 H SER A 77 -2.546 -12.129 5.678 1.00 0.00 H new ATOM 0 HA SER A 77 0.154 -13.111 5.836 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.331 -14.477 4.582 1.00 0.00 H new ATOM 0 HB3 SER A 77 -2.083 -13.108 3.788 1.00 0.00 H new ATOM 0 HG SER A 77 -0.580 -14.216 2.391 1.00 0.00 H new ATOM 1212 N ARG A 78 1.408 -11.745 4.051 1.00 0.00 N ATOM 1213 CA ARG A 78 2.246 -10.763 3.369 1.00 0.00 C ATOM 1214 C ARG A 78 1.990 -10.793 1.865 1.00 0.00 C ATOM 1215 O ARG A 78 1.842 -11.862 1.273 1.00 0.00 O ATOM 1216 CB ARG A 78 3.724 -11.068 3.639 1.00 0.00 C ATOM 1217 CG ARG A 78 4.592 -9.897 3.169 1.00 0.00 C ATOM 1218 CD ARG A 78 6.068 -10.280 3.278 1.00 0.00 C ATOM 1219 NE ARG A 78 6.411 -11.256 2.250 1.00 0.00 N ATOM 1220 CZ ARG A 78 7.558 -11.922 2.292 1.00 0.00 C ATOM 1221 NH1 ARG A 78 8.375 -11.753 3.296 1.00 0.00 N ATOM 1222 NH2 ARG A 78 7.867 -12.746 1.328 1.00 0.00 N ATOM 0 H ARG A 78 1.824 -12.673 4.129 1.00 0.00 H new ATOM 0 HA ARG A 78 1.999 -9.772 3.750 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.880 -11.243 4.704 1.00 0.00 H new ATOM 0 HB3 ARG A 78 4.017 -11.981 3.120 1.00 0.00 H new ATOM 0 HG2 ARG A 78 4.347 -9.640 2.138 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.389 -9.014 3.775 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.691 -9.392 3.169 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.272 -10.694 4.266 1.00 0.00 H new ATOM 0 HE ARG A 78 5.758 -11.430 1.486 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.132 -11.109 4.049 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.257 -12.265 3.328 1.00 0.00 H new ATOM 0 HH21 ARG A 78 7.227 -12.877 0.544 1.00 0.00 H new ATOM 0 HH22 ARG A 78 8.748 -13.259 1.358 1.00 0.00 H new ATOM 1236 N GLN A 79 1.953 -9.613 1.249 1.00 0.00 N ATOM 1237 CA GLN A 79 1.732 -9.517 -0.192 1.00 0.00 C ATOM 1238 C GLN A 79 2.637 -8.440 -0.783 1.00 0.00 C ATOM 1239 O GLN A 79 3.022 -7.495 -0.092 1.00 0.00 O ATOM 1240 CB GLN A 79 0.269 -9.173 -0.490 1.00 0.00 C ATOM 1241 CG GLN A 79 -0.651 -10.221 0.140 1.00 0.00 C ATOM 1242 CD GLN A 79 -2.095 -9.961 -0.281 1.00 0.00 C ATOM 1243 OE1 GLN A 79 -2.670 -8.933 0.073 1.00 0.00 O ATOM 1244 NE2 GLN A 79 -2.717 -10.835 -1.026 1.00 0.00 N ATOM 0 H GLN A 79 2.072 -8.717 1.721 1.00 0.00 H new ATOM 0 HA GLN A 79 1.967 -10.481 -0.643 1.00 0.00 H new ATOM 0 HB2 GLN A 79 0.031 -8.184 -0.097 1.00 0.00 H new ATOM 0 HB3 GLN A 79 0.107 -9.135 -1.567 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -0.346 -11.220 -0.171 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -0.567 -10.186 1.226 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -2.239 -11.687 -1.319 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -3.680 -10.665 -1.315 1.00 0.00 H new ATOM 1253 N VAL A 80 2.983 -8.588 -2.057 1.00 0.00 N ATOM 1254 CA VAL A 80 3.855 -7.617 -2.706 1.00 0.00 C ATOM 1255 C VAL A 80 3.160 -6.954 -3.891 1.00 0.00 C ATOM 1256 O VAL A 80 2.665 -7.632 -4.791 1.00 0.00 O ATOM 1257 CB VAL A 80 5.123 -8.313 -3.196 1.00 0.00 C ATOM 1258 CG1 VAL A 80 6.105 -7.268 -3.727 1.00 0.00 C ATOM 1259 CG2 VAL A 80 5.765 -9.074 -2.035 1.00 0.00 C ATOM 0 H VAL A 80 2.679 -9.358 -2.653 1.00 0.00 H new ATOM 0 HA VAL A 80 4.105 -6.848 -1.976 1.00 0.00 H new ATOM 0 HB VAL A 80 4.871 -9.012 -3.994 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.010 -7.764 -4.077 1.00 0.00 H new ATOM 0 HG12 VAL A 80 5.647 -6.725 -4.553 1.00 0.00 H new ATOM 0 HG13 VAL A 80 6.359 -6.569 -2.930 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.670 -9.572 -2.383 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.018 -8.375 -1.238 1.00 0.00 H new ATOM 0 HG23 VAL A 80 5.065 -9.818 -1.656 1.00 0.00 H new ATOM 1269 N LEU A 81 3.151 -5.625 -3.891 1.00 0.00 N ATOM 1270 CA LEU A 81 2.540 -4.877 -4.982 1.00 0.00 C ATOM 1271 C LEU A 81 3.605 -4.026 -5.663 1.00 0.00 C ATOM 1272 O LEU A 81 4.297 -3.255 -5.002 1.00 0.00 O ATOM 1273 CB LEU A 81 1.448 -3.957 -4.444 1.00 0.00 C ATOM 1274 CG LEU A 81 0.668 -4.661 -3.334 1.00 0.00 C ATOM 1275 CD1 LEU A 81 -0.410 -3.720 -2.805 1.00 0.00 C ATOM 1276 CD2 LEU A 81 0.005 -5.925 -3.879 1.00 0.00 C ATOM 0 H LEU A 81 3.556 -5.048 -3.154 1.00 0.00 H new ATOM 0 HA LEU A 81 2.103 -5.580 -5.692 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.892 -3.038 -4.061 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.772 -3.672 -5.250 1.00 0.00 H new ATOM 0 HG LEU A 81 1.354 -4.933 -2.532 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.970 -4.217 -2.013 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.057 -2.818 -2.409 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.088 -3.452 -3.615 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.548 -6.419 -3.080 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.680 -5.658 -4.684 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.770 -6.601 -4.262 1.00 0.00 H new ATOM 1288 N SER A 82 3.742 -4.155 -6.975 1.00 0.00 N ATOM 1289 CA SER A 82 4.742 -3.364 -7.683 1.00 0.00 C ATOM 1290 C SER A 82 4.398 -3.208 -9.152 1.00 0.00 C ATOM 1291 O SER A 82 3.512 -3.880 -9.677 1.00 0.00 O ATOM 1292 CB SER A 82 6.120 -4.002 -7.561 1.00 0.00 C ATOM 1293 OG SER A 82 7.058 -3.220 -8.287 1.00 0.00 O ATOM 0 H SER A 82 3.190 -4.782 -7.560 1.00 0.00 H new ATOM 0 HA SER A 82 4.751 -2.377 -7.220 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.414 -4.066 -6.513 1.00 0.00 H new ATOM 0 HB3 SER A 82 6.099 -5.021 -7.949 1.00 0.00 H new ATOM 0 HG SER A 82 7.073 -2.309 -7.926 1.00 0.00 H new ATOM 1299 N GLY A 83 5.125 -2.316 -9.805 1.00 0.00 N ATOM 1300 CA GLY A 83 4.919 -2.067 -11.229 1.00 0.00 C ATOM 1301 C GLY A 83 3.836 -1.018 -11.462 1.00 0.00 C ATOM 1302 O GLY A 83 2.848 -1.275 -12.148 1.00 0.00 O ATOM 0 H GLY A 83 5.860 -1.753 -9.378 1.00 0.00 H new ATOM 0 HA2 GLY A 83 5.853 -1.733 -11.680 1.00 0.00 H new ATOM 0 HA3 GLY A 83 4.640 -2.996 -11.725 1.00 0.00 H new ATOM 1306 N ILE A 84 4.039 0.161 -10.887 1.00 0.00 N ATOM 1307 CA ILE A 84 3.088 1.265 -11.028 1.00 0.00 C ATOM 1308 C ILE A 84 1.642 0.798 -10.882 1.00 0.00 C ATOM 1309 O ILE A 84 0.712 1.590 -11.039 1.00 0.00 O ATOM 1310 CB ILE A 84 3.275 1.935 -12.390 1.00 0.00 C ATOM 1311 CG1 ILE A 84 2.852 0.977 -13.510 1.00 0.00 C ATOM 1312 CG2 ILE A 84 4.747 2.290 -12.565 1.00 0.00 C ATOM 1313 CD1 ILE A 84 2.767 1.748 -14.829 1.00 0.00 C ATOM 0 H ILE A 84 4.855 0.381 -10.316 1.00 0.00 H new ATOM 0 HA ILE A 84 3.289 1.977 -10.228 1.00 0.00 H new ATOM 0 HB ILE A 84 2.660 2.834 -12.439 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.570 0.162 -13.598 1.00 0.00 H new ATOM 0 HG13 ILE A 84 1.887 0.528 -13.275 1.00 0.00 H new ATOM 0 HG21 ILE A 84 4.893 2.769 -13.533 1.00 0.00 H new ATOM 0 HG22 ILE A 84 5.053 2.973 -11.773 1.00 0.00 H new ATOM 0 HG23 ILE A 84 5.349 1.382 -12.514 1.00 0.00 H new ATOM 0 HD11 ILE A 84 2.466 1.070 -15.628 1.00 0.00 H new ATOM 0 HD12 ILE A 84 2.032 2.548 -14.736 1.00 0.00 H new ATOM 0 HD13 ILE A 84 3.742 2.176 -15.064 1.00 0.00 H new ATOM 1325 N ASP A 85 1.455 -0.477 -10.570 1.00 0.00 N ATOM 1326 CA ASP A 85 0.111 -1.016 -10.395 1.00 0.00 C ATOM 1327 C ASP A 85 -0.229 -1.099 -8.913 1.00 0.00 C ATOM 1328 O ASP A 85 -1.273 -1.629 -8.531 1.00 0.00 O ATOM 1329 CB ASP A 85 0.013 -2.406 -11.025 1.00 0.00 C ATOM 1330 CG ASP A 85 0.959 -3.368 -10.314 1.00 0.00 C ATOM 1331 OD1 ASP A 85 1.429 -3.022 -9.244 1.00 0.00 O ATOM 1332 OD2 ASP A 85 1.202 -4.434 -10.855 1.00 0.00 O ATOM 0 H ASP A 85 2.207 -1.152 -10.434 1.00 0.00 H new ATOM 0 HA ASP A 85 -0.598 -0.352 -10.889 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -1.011 -2.774 -10.958 1.00 0.00 H new ATOM 0 HB3 ASP A 85 0.264 -2.353 -12.084 1.00 0.00 H new ATOM 1337 N LEU A 86 0.665 -0.573 -8.085 1.00 0.00 N ATOM 1338 CA LEU A 86 0.465 -0.590 -6.644 1.00 0.00 C ATOM 1339 C LEU A 86 -0.926 -0.080 -6.285 1.00 0.00 C ATOM 1340 O LEU A 86 -1.627 -0.683 -5.473 1.00 0.00 O ATOM 1341 CB LEU A 86 1.516 0.291 -5.971 1.00 0.00 C ATOM 1342 CG LEU A 86 2.889 0.017 -6.590 1.00 0.00 C ATOM 1343 CD1 LEU A 86 3.173 1.038 -7.698 1.00 0.00 C ATOM 1344 CD2 LEU A 86 3.964 0.130 -5.510 1.00 0.00 C ATOM 0 H LEU A 86 1.533 -0.131 -8.387 1.00 0.00 H new ATOM 0 HA LEU A 86 0.562 -1.618 -6.294 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.255 1.342 -6.092 1.00 0.00 H new ATOM 0 HB3 LEU A 86 1.542 0.090 -4.900 1.00 0.00 H new ATOM 0 HG LEU A 86 2.898 -0.987 -7.014 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.151 0.838 -8.135 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.408 0.959 -8.470 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.162 2.044 -7.278 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.943 -0.065 -5.949 1.00 0.00 H new ATOM 0 HD22 LEU A 86 3.950 1.134 -5.086 1.00 0.00 H new ATOM 0 HD23 LEU A 86 3.768 -0.599 -4.723 1.00 0.00 H new ATOM 1356 N THR A 87 -1.314 1.041 -6.886 1.00 0.00 N ATOM 1357 CA THR A 87 -2.621 1.625 -6.610 1.00 0.00 C ATOM 1358 C THR A 87 -3.740 0.734 -7.133 1.00 0.00 C ATOM 1359 O THR A 87 -4.782 0.592 -6.490 1.00 0.00 O ATOM 1360 CB THR A 87 -2.721 3.014 -7.252 1.00 0.00 C ATOM 1361 OG1 THR A 87 -2.584 2.891 -8.661 1.00 0.00 O ATOM 1362 CG2 THR A 87 -1.616 3.926 -6.706 1.00 0.00 C ATOM 0 H THR A 87 -0.749 1.558 -7.560 1.00 0.00 H new ATOM 0 HA THR A 87 -2.731 1.716 -5.529 1.00 0.00 H new ATOM 0 HB THR A 87 -3.691 3.451 -7.014 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.331 3.758 -9.042 1.00 0.00 H new ATOM 0 HG21 THR A 87 -1.695 4.910 -7.168 1.00 0.00 H new ATOM 0 HG22 THR A 87 -1.724 4.022 -5.626 1.00 0.00 H new ATOM 0 HG23 THR A 87 -0.642 3.495 -6.936 1.00 0.00 H new ATOM 1370 N ASP A 88 -3.527 0.127 -8.294 1.00 0.00 N ATOM 1371 CA ASP A 88 -4.536 -0.748 -8.863 1.00 0.00 C ATOM 1372 C ASP A 88 -4.615 -2.023 -8.039 1.00 0.00 C ATOM 1373 O ASP A 88 -5.696 -2.470 -7.657 1.00 0.00 O ATOM 1374 CB ASP A 88 -4.169 -1.095 -10.306 1.00 0.00 C ATOM 1375 CG ASP A 88 -4.182 0.162 -11.167 1.00 0.00 C ATOM 1376 OD1 ASP A 88 -4.739 1.153 -10.725 1.00 0.00 O ATOM 1377 OD2 ASP A 88 -3.634 0.116 -12.256 1.00 0.00 O ATOM 0 H ASP A 88 -2.678 0.224 -8.850 1.00 0.00 H new ATOM 0 HA ASP A 88 -5.501 -0.242 -8.852 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -3.182 -1.556 -10.337 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -4.875 -1.825 -10.703 1.00 0.00 H new ATOM 1382 N GLN A 89 -3.449 -2.592 -7.756 1.00 0.00 N ATOM 1383 CA GLN A 89 -3.372 -3.805 -6.961 1.00 0.00 C ATOM 1384 C GLN A 89 -3.773 -3.508 -5.517 1.00 0.00 C ATOM 1385 O GLN A 89 -4.585 -4.223 -4.931 1.00 0.00 O ATOM 1386 CB GLN A 89 -1.946 -4.350 -7.009 1.00 0.00 C ATOM 1387 CG GLN A 89 -1.965 -5.869 -6.851 1.00 0.00 C ATOM 1388 CD GLN A 89 -0.538 -6.404 -6.909 1.00 0.00 C ATOM 1389 OE1 GLN A 89 0.426 -5.622 -7.319 1.00 0.00 O flip ATOM 1390 NE2 GLN A 89 -0.294 -7.565 -6.579 1.00 0.00 N flip ATOM 0 H GLN A 89 -2.547 -2.231 -8.066 1.00 0.00 H new ATOM 0 HA GLN A 89 -4.057 -4.550 -7.367 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -1.476 -4.080 -7.954 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -1.349 -3.900 -6.216 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -2.428 -6.141 -5.903 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -2.566 -6.320 -7.640 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -1.048 -8.173 -6.259 1.00 0.00 H new ATOM 0 HE22 GLN A 89 0.662 -7.918 -6.625 1.00 0.00 H new ATOM 1399 N LEU A 90 -3.208 -2.439 -4.952 1.00 0.00 N ATOM 1400 CA LEU A 90 -3.529 -2.060 -3.581 1.00 0.00 C ATOM 1401 C LEU A 90 -5.030 -1.871 -3.425 1.00 0.00 C ATOM 1402 O LEU A 90 -5.636 -2.375 -2.480 1.00 0.00 O ATOM 1403 CB LEU A 90 -2.806 -0.764 -3.216 1.00 0.00 C ATOM 1404 CG LEU A 90 -3.179 -0.360 -1.789 1.00 0.00 C ATOM 1405 CD1 LEU A 90 -2.619 -1.381 -0.799 1.00 0.00 C ATOM 1406 CD2 LEU A 90 -2.589 1.018 -1.489 1.00 0.00 C ATOM 0 H LEU A 90 -2.535 -1.830 -5.418 1.00 0.00 H new ATOM 0 HA LEU A 90 -3.201 -2.856 -2.912 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.728 -0.901 -3.297 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.080 0.027 -3.913 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.264 -0.326 -1.692 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.887 -1.089 0.216 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -3.036 -2.364 -1.016 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -1.534 -1.419 -0.891 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.851 1.313 -0.473 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.504 0.978 -1.587 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.991 1.747 -2.193 1.00 0.00 H new ATOM 1418 N ALA A 91 -5.626 -1.150 -4.368 1.00 0.00 N ATOM 1419 CA ALA A 91 -7.062 -0.915 -4.335 1.00 0.00 C ATOM 1420 C ALA A 91 -7.798 -2.247 -4.333 1.00 0.00 C ATOM 1421 O ALA A 91 -8.854 -2.389 -3.715 1.00 0.00 O ATOM 1422 CB ALA A 91 -7.491 -0.092 -5.551 1.00 0.00 C ATOM 0 H ALA A 91 -5.141 -0.722 -5.157 1.00 0.00 H new ATOM 0 HA ALA A 91 -7.309 -0.361 -3.429 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.567 0.077 -5.515 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -6.973 0.867 -5.543 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.239 -0.633 -6.463 1.00 0.00 H new ATOM 1428 N ASN A 92 -7.228 -3.222 -5.035 1.00 0.00 N ATOM 1429 CA ASN A 92 -7.816 -4.549 -5.114 1.00 0.00 C ATOM 1430 C ASN A 92 -7.448 -5.384 -3.893 1.00 0.00 C ATOM 1431 O ASN A 92 -8.255 -6.168 -3.397 1.00 0.00 O ATOM 1432 CB ASN A 92 -7.313 -5.258 -6.368 1.00 0.00 C ATOM 1433 CG ASN A 92 -7.910 -4.616 -7.615 1.00 0.00 C ATOM 1434 OD1 ASN A 92 -8.795 -3.766 -7.514 1.00 0.00 O ATOM 1435 ND2 ASN A 92 -7.482 -4.981 -8.793 1.00 0.00 N ATOM 0 H ASN A 92 -6.358 -3.115 -5.557 1.00 0.00 H new ATOM 0 HA ASN A 92 -8.900 -4.438 -5.151 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -6.225 -5.208 -6.410 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -7.582 -6.314 -6.330 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -7.881 -4.562 -9.633 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -6.749 -5.685 -8.873 1.00 0.00 H new ATOM 1442 N GLN A 93 -6.212 -5.224 -3.433 1.00 0.00 N ATOM 1443 CA GLN A 93 -5.726 -5.980 -2.288 1.00 0.00 C ATOM 1444 C GLN A 93 -6.273 -5.425 -0.981 1.00 0.00 C ATOM 1445 O GLN A 93 -6.598 -6.182 -0.065 1.00 0.00 O ATOM 1446 CB GLN A 93 -4.198 -5.936 -2.259 1.00 0.00 C ATOM 1447 CG GLN A 93 -3.640 -6.674 -3.475 1.00 0.00 C ATOM 1448 CD GLN A 93 -3.960 -8.160 -3.375 1.00 0.00 C ATOM 1449 OE1 GLN A 93 -3.687 -8.788 -2.352 1.00 0.00 O ATOM 1450 NE2 GLN A 93 -4.524 -8.763 -4.383 1.00 0.00 N ATOM 0 H GLN A 93 -5.531 -4.579 -3.835 1.00 0.00 H new ATOM 0 HA GLN A 93 -6.071 -7.009 -2.391 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -3.854 -4.902 -2.259 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -3.828 -6.394 -1.342 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -4.068 -6.262 -4.389 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -2.561 -6.529 -3.535 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -4.749 -8.240 -5.229 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -4.741 -9.758 -4.326 1.00 0.00 H new ATOM 1459 N LEU A 94 -6.368 -4.105 -0.893 1.00 0.00 N ATOM 1460 CA LEU A 94 -6.871 -3.474 0.319 1.00 0.00 C ATOM 1461 C LEU A 94 -8.228 -4.067 0.712 1.00 0.00 C ATOM 1462 O LEU A 94 -8.364 -4.628 1.798 1.00 0.00 O ATOM 1463 CB LEU A 94 -6.966 -1.959 0.115 1.00 0.00 C ATOM 1464 CG LEU A 94 -7.826 -1.337 1.217 1.00 0.00 C ATOM 1465 CD1 LEU A 94 -7.213 -1.647 2.584 1.00 0.00 C ATOM 1466 CD2 LEU A 94 -7.878 0.179 1.019 1.00 0.00 C ATOM 0 H LEU A 94 -6.107 -3.457 -1.637 1.00 0.00 H new ATOM 0 HA LEU A 94 -6.177 -3.669 1.136 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.969 -1.519 0.128 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -7.398 -1.741 -0.862 1.00 0.00 H new ATOM 0 HG LEU A 94 -8.833 -1.751 1.169 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.827 -1.203 3.367 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.168 -2.727 2.726 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.206 -1.232 2.634 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.490 0.627 1.802 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -6.869 0.587 1.069 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.313 0.404 0.045 1.00 0.00 H new ATOM 1478 N PRO A 95 -9.221 -3.979 -0.141 1.00 0.00 N ATOM 1479 CA PRO A 95 -10.565 -4.547 0.150 1.00 0.00 C ATOM 1480 C PRO A 95 -10.457 -5.978 0.669 1.00 0.00 C ATOM 1481 O PRO A 95 -11.141 -6.363 1.617 1.00 0.00 O ATOM 1482 CB PRO A 95 -11.294 -4.534 -1.203 1.00 0.00 C ATOM 1483 CG PRO A 95 -10.332 -3.987 -2.215 1.00 0.00 C ATOM 1484 CD PRO A 95 -9.185 -3.331 -1.453 1.00 0.00 C ATOM 0 HA PRO A 95 -11.087 -3.976 0.918 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -11.613 -5.539 -1.479 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -12.191 -3.917 -1.151 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -9.958 -4.784 -2.858 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -10.827 -3.262 -2.861 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -8.230 -3.492 -1.952 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -9.324 -2.253 -1.371 1.00 0.00 H new ATOM 1492 N GLN A 96 -9.582 -6.757 0.039 1.00 0.00 N ATOM 1493 CA GLN A 96 -9.373 -8.145 0.436 1.00 0.00 C ATOM 1494 C GLN A 96 -8.816 -8.219 1.852 1.00 0.00 C ATOM 1495 O GLN A 96 -9.143 -9.128 2.612 1.00 0.00 O ATOM 1496 CB GLN A 96 -8.399 -8.817 -0.533 1.00 0.00 C ATOM 1497 CG GLN A 96 -9.016 -8.848 -1.932 1.00 0.00 C ATOM 1498 CD GLN A 96 -8.092 -9.583 -2.895 1.00 0.00 C ATOM 1499 OE1 GLN A 96 -6.958 -10.058 -2.462 1.00 0.00 O flip ATOM 1500 NE2 GLN A 96 -8.413 -9.733 -4.075 1.00 0.00 N flip ATOM 0 H GLN A 96 -9.008 -6.451 -0.747 1.00 0.00 H new ATOM 0 HA GLN A 96 -10.332 -8.662 0.409 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -7.454 -8.274 -0.552 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -8.177 -9.830 -0.199 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -9.987 -9.342 -1.899 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -9.188 -7.831 -2.285 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -9.300 -9.361 -4.413 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -7.791 -10.229 -4.714 1.00 0.00 H new ATOM 1509 N TRP A 97 -7.972 -7.252 2.196 1.00 0.00 N ATOM 1510 CA TRP A 97 -7.370 -7.210 3.524 1.00 0.00 C ATOM 1511 C TRP A 97 -8.436 -6.984 4.579 1.00 0.00 C ATOM 1512 O TRP A 97 -8.421 -7.615 5.633 1.00 0.00 O ATOM 1513 CB TRP A 97 -6.343 -6.084 3.590 1.00 0.00 C ATOM 1514 CG TRP A 97 -5.313 -6.291 2.530 1.00 0.00 C ATOM 1515 CD1 TRP A 97 -5.161 -7.421 1.800 1.00 0.00 C ATOM 1516 CD2 TRP A 97 -4.294 -5.361 2.066 1.00 0.00 C ATOM 1517 NE1 TRP A 97 -4.112 -7.243 0.916 1.00 0.00 N ATOM 1518 CE2 TRP A 97 -3.544 -5.987 1.042 1.00 0.00 C ATOM 1519 CE3 TRP A 97 -3.953 -4.046 2.428 1.00 0.00 C ATOM 1520 CZ2 TRP A 97 -2.488 -5.334 0.406 1.00 0.00 C ATOM 1521 CZ3 TRP A 97 -2.891 -3.385 1.790 1.00 0.00 C ATOM 1522 CH2 TRP A 97 -2.163 -4.027 0.779 1.00 0.00 C ATOM 0 H TRP A 97 -7.690 -6.491 1.578 1.00 0.00 H new ATOM 0 HA TRP A 97 -6.878 -8.164 3.715 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -6.834 -5.121 3.453 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -5.871 -6.064 4.572 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -5.760 -8.315 1.893 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -3.796 -7.950 0.253 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -4.512 -3.541 3.202 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -1.926 -5.835 -0.369 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -2.634 -2.377 2.080 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -1.351 -3.512 0.288 1.00 0.00 H new ATOM 1533 N LEU A 98 -9.367 -6.090 4.286 1.00 0.00 N ATOM 1534 CA LEU A 98 -10.444 -5.804 5.209 1.00 0.00 C ATOM 1535 C LEU A 98 -11.399 -6.991 5.261 1.00 0.00 C ATOM 1536 O LEU A 98 -11.945 -7.322 6.314 1.00 0.00 O ATOM 1537 CB LEU A 98 -11.182 -4.547 4.755 1.00 0.00 C ATOM 1538 CG LEU A 98 -10.193 -3.384 4.706 1.00 0.00 C ATOM 1539 CD1 LEU A 98 -10.904 -2.126 4.211 1.00 0.00 C ATOM 1540 CD2 LEU A 98 -9.638 -3.137 6.110 1.00 0.00 C ATOM 0 H LEU A 98 -9.395 -5.554 3.419 1.00 0.00 H new ATOM 0 HA LEU A 98 -10.039 -5.635 6.207 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -11.627 -4.705 3.773 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -11.998 -4.320 5.442 1.00 0.00 H new ATOM 0 HG LEU A 98 -9.377 -3.627 4.025 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -10.196 -1.298 4.177 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -11.304 -2.303 3.213 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -11.720 -1.878 4.890 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -8.931 -2.308 6.081 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -10.457 -2.893 6.787 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -9.130 -4.034 6.464 1.00 0.00 H new