USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=19 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 93 GLN : amide:sc= -0.35 X(o=-0.36,f=-0.34) USER MOD Set 1.2: A 96 GLN : amide:sc=-0.00996 K(o=-0.36,f=-1.6!) USER MOD Set 2.1: A 46 SER OG : rot 180:sc= 0.467 USER MOD Set 2.2: A 48 GLN : amide:sc= 0.293 X(o=0.76,f=0.6) USER MOD Single : A 11 GLN :FLIP amide:sc= -0.259 F(o=-0.81,f=-0.26) USER MOD Single : A 16 GLN :FLIP amide:sc= -1.97! C(o=-4.4!,f=-2!) USER MOD Single : A 21 THR OG1 : rot -70:sc= 0.195! USER MOD Single : A 25 SER OG : rot -84:sc= 0.396 USER MOD Single : A 26 GLN : amide:sc=-0.00377 K(o=-0.0038,f=-2.1) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=-0.093) USER MOD Single : A 30 GLN :FLIP amide:sc= 0.227 F(o=-0.92,f=0.23) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN :FLIP amide:sc= -6.77! C(o=-8.5!,f=-6.8!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -3.72 K(o=-3.7,f=-4.8!) USER MOD Single : A 55 GLN :FLIP amide:sc= -12.6! C(o=-16!,f=-13!) USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-1.4!) 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+ -131:sc= -2.87 (180deg=-3.23!) USER MOD Single : A 77 SER OG : rot 180:sc= -0.408 USER MOD Single : A 79 GLN :FLIP amide:sc= -0.0593 F(o=-1.7,f=-0.059) USER MOD Single : A 82 SER OG : rot 54:sc= -5.12! USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 GLN :FLIP amide:sc= -4.73! C(o=-7.3!,f=-4.7!) USER MOD Single : A 92 ASN :FLIP amide:sc= -0.0843 F(o=-0.98,f=-0.084) USER MOD ----------------------------------------------------------------- ATOM 132 N GLN A 11 -3.859 -4.577 16.696 1.00 0.00 N ATOM 133 CA GLN A 11 -2.628 -4.340 15.956 1.00 0.00 C ATOM 134 C GLN A 11 -2.929 -3.666 14.617 1.00 0.00 C ATOM 135 O GLN A 11 -3.561 -4.264 13.746 1.00 0.00 O ATOM 136 CB GLN A 11 -1.908 -5.665 15.706 1.00 0.00 C ATOM 137 CG GLN A 11 -1.462 -6.260 17.043 1.00 0.00 C ATOM 138 CD GLN A 11 -0.459 -5.329 17.717 1.00 0.00 C ATOM 139 OE1 GLN A 11 0.448 -4.730 16.994 1.00 0.00 O flip ATOM 140 NE2 GLN A 11 -0.505 -5.141 18.933 1.00 0.00 N flip ATOM 0 HA GLN A 11 -1.991 -3.683 16.548 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -2.570 -6.360 15.189 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -1.045 -5.506 15.060 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -2.326 -6.409 17.691 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -1.011 -7.240 16.883 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -1.215 -5.610 19.495 1.00 0.00 H new ATOM 0 HE22 GLN A 11 0.167 -4.516 19.378 1.00 0.00 H new ATOM 149 N PRO A 12 -2.494 -2.441 14.432 1.00 0.00 N ATOM 150 CA PRO A 12 -2.737 -1.703 13.165 1.00 0.00 C ATOM 151 C PRO A 12 -2.123 -2.420 11.969 1.00 0.00 C ATOM 152 O PRO A 12 -1.275 -3.297 12.126 1.00 0.00 O ATOM 153 CB PRO A 12 -2.090 -0.328 13.361 1.00 0.00 C ATOM 154 CG PRO A 12 -1.494 -0.296 14.735 1.00 0.00 C ATOM 155 CD PRO A 12 -1.730 -1.650 15.406 1.00 0.00 C ATOM 0 HA PRO A 12 -3.804 -1.628 12.954 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.322 -0.156 12.607 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.831 0.463 13.247 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.426 -0.084 14.678 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.947 0.501 15.324 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -0.786 -2.136 15.653 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -2.283 -1.535 16.339 1.00 0.00 H new ATOM 163 N LEU A 13 -2.557 -2.041 10.773 1.00 0.00 N ATOM 164 CA LEU A 13 -2.041 -2.656 9.563 1.00 0.00 C ATOM 165 C LEU A 13 -0.675 -2.083 9.242 1.00 0.00 C ATOM 166 O LEU A 13 -0.502 -0.865 9.173 1.00 0.00 O ATOM 167 CB LEU A 13 -2.994 -2.389 8.397 1.00 0.00 C ATOM 168 CG LEU A 13 -2.688 -3.342 7.241 1.00 0.00 C ATOM 169 CD1 LEU A 13 -3.733 -3.152 6.145 1.00 0.00 C ATOM 170 CD2 LEU A 13 -1.302 -3.038 6.673 1.00 0.00 C ATOM 0 H LEU A 13 -3.259 -1.317 10.619 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.956 -3.732 9.718 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.026 -2.520 8.723 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.893 -1.356 8.064 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.712 -4.370 7.603 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.520 -3.829 5.318 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.723 -3.368 6.545 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.703 -2.123 5.788 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.089 -3.720 5.850 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.275 -2.011 6.310 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.553 -3.167 7.454 1.00 0.00 H new ATOM 182 N LEU A 14 0.296 -2.961 9.037 1.00 0.00 N ATOM 183 CA LEU A 14 1.632 -2.521 8.714 1.00 0.00 C ATOM 184 C LEU A 14 1.821 -2.542 7.203 1.00 0.00 C ATOM 185 O LEU A 14 1.714 -3.586 6.559 1.00 0.00 O ATOM 186 CB LEU A 14 2.639 -3.430 9.412 1.00 0.00 C ATOM 187 CG LEU A 14 2.392 -3.396 10.924 1.00 0.00 C ATOM 188 CD1 LEU A 14 3.563 -4.061 11.651 1.00 0.00 C ATOM 189 CD2 LEU A 14 2.252 -1.945 11.396 1.00 0.00 C ATOM 0 H LEU A 14 0.179 -3.973 9.089 1.00 0.00 H new ATOM 0 HA LEU A 14 1.790 -1.500 9.061 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.544 -4.450 9.040 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.655 -3.103 9.191 1.00 0.00 H new ATOM 0 HG LEU A 14 1.472 -3.936 11.148 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.385 -4.036 12.726 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.654 -5.096 11.323 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.484 -3.525 11.423 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.077 -1.928 12.472 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.167 -1.399 11.169 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.412 -1.475 10.884 1.00 0.00 H new ATOM 201 N LEU A 15 2.063 -1.365 6.646 1.00 0.00 N ATOM 202 CA LEU A 15 2.226 -1.220 5.209 1.00 0.00 C ATOM 203 C LEU A 15 3.552 -0.528 4.892 1.00 0.00 C ATOM 204 O LEU A 15 3.914 0.451 5.543 1.00 0.00 O ATOM 205 CB LEU A 15 1.045 -0.389 4.683 1.00 0.00 C ATOM 206 CG LEU A 15 0.859 -0.590 3.180 1.00 0.00 C ATOM 207 CD1 LEU A 15 2.087 -0.067 2.445 1.00 0.00 C ATOM 208 CD2 LEU A 15 0.663 -2.081 2.882 1.00 0.00 C ATOM 0 H LEU A 15 2.151 -0.494 7.170 1.00 0.00 H new ATOM 0 HA LEU A 15 2.241 -2.198 4.728 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.133 -0.675 5.207 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.216 0.667 4.894 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.021 -0.042 2.842 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.957 -0.209 1.372 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.214 0.995 2.658 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.970 -0.612 2.779 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.530 -2.223 1.810 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.539 -2.637 3.216 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.220 -2.444 3.408 1.00 0.00 H new ATOM 220 N GLN A 16 4.275 -1.031 3.892 1.00 0.00 N ATOM 221 CA GLN A 16 5.551 -0.423 3.524 1.00 0.00 C ATOM 222 C GLN A 16 5.658 -0.220 2.017 1.00 0.00 C ATOM 223 O GLN A 16 5.006 -0.911 1.234 1.00 0.00 O ATOM 224 CB GLN A 16 6.715 -1.282 4.014 1.00 0.00 C ATOM 225 CG GLN A 16 6.862 -1.110 5.525 1.00 0.00 C ATOM 226 CD GLN A 16 8.062 -1.907 6.028 1.00 0.00 C ATOM 227 OE1 GLN A 16 8.739 -2.646 5.194 1.00 0.00 O flip ATOM 228 NE2 GLN A 16 8.391 -1.852 7.213 1.00 0.00 N flip ATOM 0 H GLN A 16 4.006 -1.841 3.333 1.00 0.00 H new ATOM 0 HA GLN A 16 5.599 0.554 4.005 1.00 0.00 H new ATOM 0 HB2 GLN A 16 6.538 -2.330 3.770 1.00 0.00 H new ATOM 0 HB3 GLN A 16 7.636 -0.989 3.511 1.00 0.00 H new ATOM 0 HG2 GLN A 16 6.988 -0.055 5.768 1.00 0.00 H new ATOM 0 HG3 GLN A 16 5.955 -1.447 6.027 1.00 0.00 H new ATOM 0 HE21 GLN A 16 7.860 -1.273 7.863 1.00 0.00 H new ATOM 0 HE22 GLN A 16 9.195 -2.385 7.544 1.00 0.00 H new ATOM 237 N LEU A 17 6.487 0.747 1.626 1.00 0.00 N ATOM 238 CA LEU A 17 6.682 1.063 0.216 1.00 0.00 C ATOM 239 C LEU A 17 8.158 1.320 -0.086 1.00 0.00 C ATOM 240 O LEU A 17 8.843 2.015 0.662 1.00 0.00 O ATOM 241 CB LEU A 17 5.859 2.301 -0.148 1.00 0.00 C ATOM 242 CG LEU A 17 6.002 2.600 -1.642 1.00 0.00 C ATOM 243 CD1 LEU A 17 4.993 1.763 -2.427 1.00 0.00 C ATOM 244 CD2 LEU A 17 5.736 4.085 -1.893 1.00 0.00 C ATOM 0 H LEU A 17 7.033 1.323 2.267 1.00 0.00 H new ATOM 0 HA LEU A 17 6.352 0.212 -0.379 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.810 2.137 0.100 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.195 3.157 0.437 1.00 0.00 H new ATOM 0 HG LEU A 17 7.012 2.352 -1.967 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.094 1.975 -3.491 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.181 0.704 -2.249 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.983 2.012 -2.102 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.838 4.298 -2.957 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.726 4.334 -1.568 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.455 4.683 -1.333 1.00 0.00 H new ATOM 256 N PHE A 18 8.636 0.756 -1.193 1.00 0.00 N ATOM 257 CA PHE A 18 10.031 0.932 -1.594 1.00 0.00 C ATOM 258 C PHE A 18 10.155 2.009 -2.665 1.00 0.00 C ATOM 259 O PHE A 18 9.516 1.928 -3.714 1.00 0.00 O ATOM 260 CB PHE A 18 10.580 -0.383 -2.145 1.00 0.00 C ATOM 261 CG PHE A 18 10.720 -1.378 -1.023 1.00 0.00 C ATOM 262 CD1 PHE A 18 11.904 -1.424 -0.280 1.00 0.00 C ATOM 263 CD2 PHE A 18 9.670 -2.254 -0.725 1.00 0.00 C ATOM 264 CE1 PHE A 18 12.039 -2.345 0.762 1.00 0.00 C ATOM 265 CE2 PHE A 18 9.805 -3.177 0.319 1.00 0.00 C ATOM 266 CZ PHE A 18 10.989 -3.222 1.063 1.00 0.00 C ATOM 0 H PHE A 18 8.083 0.177 -1.825 1.00 0.00 H new ATOM 0 HA PHE A 18 10.602 1.237 -0.717 1.00 0.00 H new ATOM 0 HB2 PHE A 18 9.912 -0.775 -2.912 1.00 0.00 H new ATOM 0 HB3 PHE A 18 11.547 -0.215 -2.620 1.00 0.00 H new ATOM 0 HD1 PHE A 18 12.714 -0.748 -0.512 1.00 0.00 H new ATOM 0 HD2 PHE A 18 8.756 -2.218 -1.300 1.00 0.00 H new ATOM 0 HE1 PHE A 18 12.953 -2.381 1.336 1.00 0.00 H new ATOM 0 HE2 PHE A 18 8.996 -3.854 0.550 1.00 0.00 H new ATOM 0 HZ PHE A 18 11.093 -3.933 1.869 1.00 0.00 H new ATOM 276 N VAL A 19 10.982 3.016 -2.401 1.00 0.00 N ATOM 277 CA VAL A 19 11.173 4.093 -3.366 1.00 0.00 C ATOM 278 C VAL A 19 12.653 4.439 -3.521 1.00 0.00 C ATOM 279 O VAL A 19 13.443 4.276 -2.588 1.00 0.00 O ATOM 280 CB VAL A 19 10.398 5.334 -2.918 1.00 0.00 C ATOM 281 CG1 VAL A 19 8.952 4.942 -2.604 1.00 0.00 C ATOM 282 CG2 VAL A 19 11.054 5.921 -1.664 1.00 0.00 C ATOM 0 H VAL A 19 11.523 3.109 -1.541 1.00 0.00 H new ATOM 0 HA VAL A 19 10.798 3.754 -4.332 1.00 0.00 H new ATOM 0 HB VAL A 19 10.409 6.079 -3.714 1.00 0.00 H new ATOM 0 HG11 VAL A 19 8.397 5.824 -2.284 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.486 4.524 -3.496 1.00 0.00 H new ATOM 0 HG13 VAL A 19 8.941 4.198 -1.807 1.00 0.00 H new ATOM 0 HG21 VAL A 19 10.502 6.805 -1.345 1.00 0.00 H new ATOM 0 HG22 VAL A 19 11.043 5.178 -0.866 1.00 0.00 H new ATOM 0 HG23 VAL A 19 12.084 6.198 -1.888 1.00 0.00 H new ATOM 292 N ASP A 20 13.015 4.924 -4.707 1.00 0.00 N ATOM 293 CA ASP A 20 14.394 5.308 -4.990 1.00 0.00 C ATOM 294 C ASP A 20 14.523 6.829 -5.028 1.00 0.00 C ATOM 295 O ASP A 20 15.460 7.367 -5.617 1.00 0.00 O ATOM 296 CB ASP A 20 14.847 4.723 -6.327 1.00 0.00 C ATOM 297 CG ASP A 20 14.087 5.388 -7.465 1.00 0.00 C ATOM 298 OD1 ASP A 20 13.419 6.374 -7.203 1.00 0.00 O ATOM 299 OD2 ASP A 20 14.185 4.906 -8.580 1.00 0.00 O ATOM 0 H ASP A 20 12.372 5.060 -5.487 1.00 0.00 H new ATOM 0 HA ASP A 20 15.029 4.914 -4.196 1.00 0.00 H new ATOM 0 HB2 ASP A 20 15.919 4.874 -6.456 1.00 0.00 H new ATOM 0 HB3 ASP A 20 14.673 3.647 -6.341 1.00 0.00 H new ATOM 304 N THR A 21 13.569 7.509 -4.400 1.00 0.00 N ATOM 305 CA THR A 21 13.559 8.970 -4.358 1.00 0.00 C ATOM 306 C THR A 21 13.049 9.564 -5.674 1.00 0.00 C ATOM 307 O THR A 21 13.045 10.781 -5.847 1.00 0.00 O ATOM 308 CB THR A 21 14.968 9.502 -4.076 1.00 0.00 C ATOM 309 OG1 THR A 21 15.723 9.509 -5.280 1.00 0.00 O ATOM 310 CG2 THR A 21 15.658 8.606 -3.046 1.00 0.00 C ATOM 0 H THR A 21 12.789 7.071 -3.911 1.00 0.00 H new ATOM 0 HA THR A 21 12.884 9.271 -3.557 1.00 0.00 H new ATOM 0 HB THR A 21 14.899 10.517 -3.685 1.00 0.00 H new ATOM 0 HG1 THR A 21 15.919 8.587 -5.549 1.00 0.00 H new ATOM 0 HG21 THR A 21 16.660 8.986 -2.847 1.00 0.00 H new ATOM 0 HG22 THR A 21 15.081 8.603 -2.122 1.00 0.00 H new ATOM 0 HG23 THR A 21 15.726 7.590 -3.435 1.00 0.00 H new ATOM 318 N ARG A 22 12.603 8.709 -6.594 1.00 0.00 N ATOM 319 CA ARG A 22 12.080 9.192 -7.873 1.00 0.00 C ATOM 320 C ARG A 22 10.702 9.825 -7.666 1.00 0.00 C ATOM 321 O ARG A 22 9.898 9.323 -6.882 1.00 0.00 O ATOM 322 CB ARG A 22 11.967 8.040 -8.877 1.00 0.00 C ATOM 323 CG ARG A 22 10.926 7.033 -8.385 1.00 0.00 C ATOM 324 CD ARG A 22 11.236 5.646 -8.949 1.00 0.00 C ATOM 325 NE ARG A 22 12.046 5.761 -10.156 1.00 0.00 N ATOM 326 CZ ARG A 22 11.682 5.164 -11.288 1.00 0.00 C ATOM 327 NH1 ARG A 22 11.443 3.881 -11.304 1.00 0.00 N ATOM 328 NH2 ARG A 22 11.568 5.862 -12.384 1.00 0.00 N ATOM 0 H ARG A 22 12.592 7.695 -6.482 1.00 0.00 H new ATOM 0 HA ARG A 22 12.769 9.938 -8.268 1.00 0.00 H new ATOM 0 HB2 ARG A 22 11.682 8.424 -9.856 1.00 0.00 H new ATOM 0 HB3 ARG A 22 12.934 7.551 -8.995 1.00 0.00 H new ATOM 0 HG2 ARG A 22 10.926 7.000 -7.295 1.00 0.00 H new ATOM 0 HG3 ARG A 22 9.929 7.347 -8.695 1.00 0.00 H new ATOM 0 HD2 ARG A 22 11.765 5.052 -8.203 1.00 0.00 H new ATOM 0 HD3 ARG A 22 10.307 5.122 -9.174 1.00 0.00 H new ATOM 0 HE ARG A 22 12.906 6.308 -10.132 1.00 0.00 H new ATOM 0 HH11 ARG A 22 11.535 3.334 -10.448 1.00 0.00 H new ATOM 0 HH12 ARG A 22 11.164 3.425 -12.173 1.00 0.00 H new ATOM 0 HH21 ARG A 22 11.758 6.864 -12.372 1.00 0.00 H new ATOM 0 HH22 ARG A 22 11.289 5.406 -13.253 1.00 0.00 H new ATOM 342 N PRO A 23 10.416 10.912 -8.339 1.00 0.00 N ATOM 343 CA PRO A 23 9.107 11.611 -8.201 1.00 0.00 C ATOM 344 C PRO A 23 7.926 10.666 -8.404 1.00 0.00 C ATOM 345 O PRO A 23 6.895 10.801 -7.746 1.00 0.00 O ATOM 346 CB PRO A 23 9.110 12.685 -9.296 1.00 0.00 C ATOM 347 CG PRO A 23 10.401 12.562 -10.044 1.00 0.00 C ATOM 348 CD PRO A 23 11.305 11.588 -9.288 1.00 0.00 C ATOM 0 HA PRO A 23 8.994 12.025 -7.199 1.00 0.00 H new ATOM 0 HB2 PRO A 23 8.263 12.549 -9.968 1.00 0.00 H new ATOM 0 HB3 PRO A 23 9.014 13.679 -8.859 1.00 0.00 H new ATOM 0 HG2 PRO A 23 10.220 12.203 -11.057 1.00 0.00 H new ATOM 0 HG3 PRO A 23 10.883 13.536 -10.132 1.00 0.00 H new ATOM 0 HD2 PRO A 23 11.774 10.876 -9.967 1.00 0.00 H new ATOM 0 HD3 PRO A 23 12.109 12.113 -8.772 1.00 0.00 H new ATOM 356 N LEU A 24 8.080 9.718 -9.324 1.00 0.00 N ATOM 357 CA LEU A 24 7.014 8.767 -9.611 1.00 0.00 C ATOM 358 C LEU A 24 6.587 8.034 -8.338 1.00 0.00 C ATOM 359 O LEU A 24 5.395 7.874 -8.075 1.00 0.00 O ATOM 360 CB LEU A 24 7.497 7.753 -10.644 1.00 0.00 C ATOM 361 CG LEU A 24 6.340 6.841 -11.043 1.00 0.00 C ATOM 362 CD1 LEU A 24 5.447 7.560 -12.056 1.00 0.00 C ATOM 363 CD2 LEU A 24 6.900 5.567 -11.669 1.00 0.00 C ATOM 0 H LEU A 24 8.926 9.589 -9.879 1.00 0.00 H new ATOM 0 HA LEU A 24 6.157 9.314 -10.004 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.886 8.269 -11.522 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.315 7.161 -10.233 1.00 0.00 H new ATOM 0 HG LEU A 24 5.751 6.588 -10.161 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.621 6.908 -12.340 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.052 8.472 -11.609 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.031 7.813 -12.941 1.00 0.00 H new ATOM 0 HD21 LEU A 24 6.078 4.911 -11.956 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.486 5.823 -12.552 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.537 5.056 -10.947 1.00 0.00 H new ATOM 375 N SER A 25 7.569 7.602 -7.547 1.00 0.00 N ATOM 376 CA SER A 25 7.285 6.902 -6.300 1.00 0.00 C ATOM 377 C SER A 25 6.567 7.844 -5.346 1.00 0.00 C ATOM 378 O SER A 25 5.584 7.470 -4.706 1.00 0.00 O ATOM 379 CB SER A 25 8.588 6.424 -5.661 1.00 0.00 C ATOM 380 OG SER A 25 9.291 7.543 -5.134 1.00 0.00 O ATOM 0 H SER A 25 8.561 7.725 -7.748 1.00 0.00 H new ATOM 0 HA SER A 25 6.653 6.039 -6.509 1.00 0.00 H new ATOM 0 HB2 SER A 25 8.376 5.707 -4.868 1.00 0.00 H new ATOM 0 HB3 SER A 25 9.202 5.910 -6.400 1.00 0.00 H new ATOM 0 HG SER A 25 9.811 7.968 -5.847 1.00 0.00 H new ATOM 386 N GLN A 26 7.043 9.085 -5.292 1.00 0.00 N ATOM 387 CA GLN A 26 6.413 10.090 -4.455 1.00 0.00 C ATOM 388 C GLN A 26 5.015 10.333 -4.995 1.00 0.00 C ATOM 389 O GLN A 26 4.064 10.570 -4.249 1.00 0.00 O ATOM 390 CB GLN A 26 7.228 11.383 -4.485 1.00 0.00 C ATOM 391 CG GLN A 26 8.600 11.137 -3.854 1.00 0.00 C ATOM 392 CD GLN A 26 9.446 12.401 -3.945 1.00 0.00 C ATOM 393 OE1 GLN A 26 9.340 13.149 -4.916 1.00 0.00 O ATOM 394 NE2 GLN A 26 10.280 12.689 -2.984 1.00 0.00 N ATOM 0 H GLN A 26 7.856 9.413 -5.814 1.00 0.00 H new ATOM 0 HA GLN A 26 6.363 9.749 -3.421 1.00 0.00 H new ATOM 0 HB2 GLN A 26 7.345 11.728 -5.512 1.00 0.00 H new ATOM 0 HB3 GLN A 26 6.702 12.169 -3.943 1.00 0.00 H new ATOM 0 HG2 GLN A 26 8.483 10.841 -2.811 1.00 0.00 H new ATOM 0 HG3 GLN A 26 9.102 10.315 -4.364 1.00 0.00 H new ATOM 0 HE21 GLN A 26 10.366 12.067 -2.180 1.00 0.00 H new ATOM 0 HE22 GLN A 26 10.846 13.536 -3.037 1.00 0.00 H new ATOM 403 N HIS A 27 4.915 10.235 -6.314 1.00 0.00 N ATOM 404 CA HIS A 27 3.653 10.401 -7.015 1.00 0.00 C ATOM 405 C HIS A 27 2.692 9.308 -6.562 1.00 0.00 C ATOM 406 O HIS A 27 1.584 9.575 -6.086 1.00 0.00 O ATOM 407 CB HIS A 27 3.924 10.252 -8.512 1.00 0.00 C ATOM 408 CG HIS A 27 2.992 11.103 -9.320 1.00 0.00 C ATOM 409 ND1 HIS A 27 1.662 11.296 -8.987 1.00 0.00 N ATOM 410 CD2 HIS A 27 3.204 11.813 -10.471 1.00 0.00 C ATOM 411 CE1 HIS A 27 1.126 12.100 -9.927 1.00 0.00 C ATOM 412 NE2 HIS A 27 2.025 12.445 -10.856 1.00 0.00 N ATOM 0 H HIS A 27 5.707 10.038 -6.926 1.00 0.00 H new ATOM 0 HA HIS A 27 3.216 11.377 -6.805 1.00 0.00 H new ATOM 0 HB2 HIS A 27 4.955 10.533 -8.727 1.00 0.00 H new ATOM 0 HB3 HIS A 27 3.811 9.208 -8.802 1.00 0.00 H new ATOM 0 HD2 HIS A 27 4.144 11.874 -11.000 1.00 0.00 H new ATOM 0 HE1 HIS A 27 0.096 12.426 -9.930 1.00 0.00 H new ATOM 0 HE2 HIS A 27 1.878 13.042 -11.670 1.00 0.00 H new ATOM 420 N ILE A 28 3.154 8.070 -6.699 1.00 0.00 N ATOM 421 CA ILE A 28 2.373 6.913 -6.295 1.00 0.00 C ATOM 422 C ILE A 28 2.137 6.932 -4.791 1.00 0.00 C ATOM 423 O ILE A 28 1.079 6.518 -4.315 1.00 0.00 O ATOM 424 CB ILE A 28 3.107 5.632 -6.691 1.00 0.00 C ATOM 425 CG1 ILE A 28 3.185 5.544 -8.217 1.00 0.00 C ATOM 426 CG2 ILE A 28 2.351 4.421 -6.143 1.00 0.00 C ATOM 427 CD1 ILE A 28 3.969 4.293 -8.613 1.00 0.00 C ATOM 0 H ILE A 28 4.069 7.844 -7.089 1.00 0.00 H new ATOM 0 HA ILE A 28 1.407 6.946 -6.800 1.00 0.00 H new ATOM 0 HB ILE A 28 4.115 5.644 -6.277 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.182 5.508 -8.642 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.670 6.433 -8.619 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.874 3.507 -6.425 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.297 4.487 -5.056 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.343 4.404 -6.556 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.026 4.228 -9.700 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.976 4.349 -8.200 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.465 3.409 -8.223 1.00 0.00 H new ATOM 439 N VAL A 29 3.126 7.420 -4.047 1.00 0.00 N ATOM 440 CA VAL A 29 3.001 7.490 -2.598 1.00 0.00 C ATOM 441 C VAL A 29 1.763 8.291 -2.226 1.00 0.00 C ATOM 442 O VAL A 29 0.995 7.893 -1.350 1.00 0.00 O ATOM 443 CB VAL A 29 4.241 8.144 -1.988 1.00 0.00 C ATOM 444 CG1 VAL A 29 3.993 8.417 -0.502 1.00 0.00 C ATOM 445 CG2 VAL A 29 5.441 7.204 -2.141 1.00 0.00 C ATOM 0 H VAL A 29 4.010 7.768 -4.419 1.00 0.00 H new ATOM 0 HA VAL A 29 2.908 6.477 -2.205 1.00 0.00 H new ATOM 0 HB VAL A 29 4.447 9.083 -2.501 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.876 8.883 -0.065 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.138 9.085 -0.392 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.788 7.478 0.011 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.326 7.670 -1.706 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.235 6.265 -1.627 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.617 7.008 -3.199 1.00 0.00 H new ATOM 455 N GLN A 30 1.562 9.413 -2.909 1.00 0.00 N ATOM 456 CA GLN A 30 0.395 10.240 -2.642 1.00 0.00 C ATOM 457 C GLN A 30 -0.859 9.428 -2.897 1.00 0.00 C ATOM 458 O GLN A 30 -1.793 9.440 -2.097 1.00 0.00 O ATOM 459 CB GLN A 30 0.381 11.474 -3.552 1.00 0.00 C ATOM 460 CG GLN A 30 1.628 12.334 -3.321 1.00 0.00 C ATOM 461 CD GLN A 30 2.207 12.091 -1.932 1.00 0.00 C ATOM 462 OE1 GLN A 30 1.595 12.576 -0.887 1.00 0.00 O flip ATOM 463 NE2 GLN A 30 3.242 11.438 -1.795 1.00 0.00 N flip ATOM 0 H GLN A 30 2.181 9.765 -3.639 1.00 0.00 H new ATOM 0 HA GLN A 30 0.433 10.569 -1.603 1.00 0.00 H new ATOM 0 HB2 GLN A 30 0.337 11.162 -4.595 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -0.515 12.064 -3.358 1.00 0.00 H new ATOM 0 HG2 GLN A 30 2.378 12.104 -4.077 1.00 0.00 H new ATOM 0 HG3 GLN A 30 1.374 13.388 -3.434 1.00 0.00 H new ATOM 0 HE21 GLN A 30 3.719 11.060 -2.614 1.00 0.00 H new ATOM 0 HE22 GLN A 30 3.623 11.275 -0.863 1.00 0.00 H new ATOM 472 N ARG A 31 -0.867 8.706 -4.012 1.00 0.00 N ATOM 473 CA ARG A 31 -2.012 7.878 -4.347 1.00 0.00 C ATOM 474 C ARG A 31 -2.195 6.797 -3.292 1.00 0.00 C ATOM 475 O ARG A 31 -3.316 6.474 -2.906 1.00 0.00 O ATOM 476 CB ARG A 31 -1.824 7.241 -5.722 1.00 0.00 C ATOM 477 CG ARG A 31 -1.841 8.336 -6.790 1.00 0.00 C ATOM 478 CD ARG A 31 -1.879 7.694 -8.175 1.00 0.00 C ATOM 479 NE ARG A 31 -1.796 8.718 -9.210 1.00 0.00 N ATOM 480 CZ ARG A 31 -2.591 8.684 -10.273 1.00 0.00 C ATOM 481 NH1 ARG A 31 -2.831 7.550 -10.872 1.00 0.00 N ATOM 482 NH2 ARG A 31 -3.138 9.782 -10.716 1.00 0.00 N ATOM 0 H ARG A 31 -0.104 8.679 -4.688 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.903 8.506 -4.374 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.881 6.696 -5.758 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.617 6.518 -5.913 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.709 8.980 -6.652 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -0.957 8.967 -6.694 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.052 6.992 -8.281 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.799 7.122 -8.293 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.116 9.473 -9.116 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.408 6.690 -10.524 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -3.442 7.524 -11.689 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -2.955 10.669 -10.246 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -3.748 9.754 -11.533 1.00 0.00 H new ATOM 496 N VAL A 32 -1.084 6.247 -2.813 1.00 0.00 N ATOM 497 CA VAL A 32 -1.150 5.215 -1.790 1.00 0.00 C ATOM 498 C VAL A 32 -1.760 5.784 -0.514 1.00 0.00 C ATOM 499 O VAL A 32 -2.722 5.236 0.024 1.00 0.00 O ATOM 500 CB VAL A 32 0.253 4.682 -1.495 1.00 0.00 C ATOM 501 CG1 VAL A 32 0.203 3.762 -0.275 1.00 0.00 C ATOM 502 CG2 VAL A 32 0.758 3.896 -2.705 1.00 0.00 C ATOM 0 H VAL A 32 -0.141 6.495 -3.113 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.775 4.399 -2.153 1.00 0.00 H new ATOM 0 HB VAL A 32 0.926 5.515 -1.293 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.203 3.382 -0.065 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.162 4.320 0.587 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.468 2.927 -0.476 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.758 3.514 -2.499 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.085 3.062 -2.904 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.792 4.551 -3.576 1.00 0.00 H new ATOM 512 N LYS A 33 -1.204 6.897 -0.045 1.00 0.00 N ATOM 513 CA LYS A 33 -1.708 7.543 1.156 1.00 0.00 C ATOM 514 C LYS A 33 -3.142 8.014 0.952 1.00 0.00 C ATOM 515 O LYS A 33 -3.983 7.890 1.842 1.00 0.00 O ATOM 516 CB LYS A 33 -0.830 8.738 1.508 1.00 0.00 C ATOM 517 CG LYS A 33 0.561 8.249 1.915 1.00 0.00 C ATOM 518 CD LYS A 33 1.374 9.425 2.453 1.00 0.00 C ATOM 519 CE LYS A 33 2.819 8.986 2.697 1.00 0.00 C ATOM 520 NZ LYS A 33 3.228 9.367 4.079 1.00 0.00 N ATOM 0 H LYS A 33 -0.408 7.366 -0.478 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.687 6.818 1.970 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.755 9.411 0.654 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.280 9.306 2.323 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.478 7.472 2.675 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.067 7.804 1.058 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.350 10.251 1.742 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.933 9.790 3.381 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.910 7.908 2.564 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.481 9.455 1.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.210 9.069 4.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.156 10.398 4.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.603 8.900 4.767 1.00 0.00 H new ATOM 534 N ASN A 34 -3.404 8.568 -0.226 1.00 0.00 N ATOM 535 CA ASN A 34 -4.729 9.077 -0.548 1.00 0.00 C ATOM 536 C ASN A 34 -5.778 7.970 -0.496 1.00 0.00 C ATOM 537 O ASN A 34 -6.858 8.156 0.063 1.00 0.00 O ATOM 538 CB ASN A 34 -4.708 9.696 -1.945 1.00 0.00 C ATOM 539 CG ASN A 34 -3.761 10.895 -1.974 1.00 0.00 C ATOM 540 OD1 ASN A 34 -3.010 11.103 -3.024 1.00 0.00 O flip ATOM 541 ND2 ASN A 34 -3.705 11.662 -1.014 1.00 0.00 N flip ATOM 0 H ASN A 34 -2.717 8.675 -0.972 1.00 0.00 H new ATOM 0 HA ASN A 34 -4.995 9.831 0.193 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -4.389 8.953 -2.676 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -5.713 10.010 -2.227 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -4.291 11.498 -0.196 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -3.072 12.462 -1.036 1.00 0.00 H new ATOM 548 N ILE A 35 -5.459 6.820 -1.082 1.00 0.00 N ATOM 549 CA ILE A 35 -6.397 5.698 -1.091 1.00 0.00 C ATOM 550 C ILE A 35 -6.593 5.132 0.311 1.00 0.00 C ATOM 551 O ILE A 35 -7.726 4.967 0.767 1.00 0.00 O ATOM 552 CB ILE A 35 -5.894 4.592 -2.015 1.00 0.00 C ATOM 553 CG1 ILE A 35 -5.874 5.104 -3.458 1.00 0.00 C ATOM 554 CG2 ILE A 35 -6.827 3.384 -1.915 1.00 0.00 C ATOM 555 CD1 ILE A 35 -5.144 4.097 -4.350 1.00 0.00 C ATOM 0 H ILE A 35 -4.571 6.640 -1.551 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.354 6.071 -1.455 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.886 4.299 -1.720 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.893 5.251 -3.817 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.377 6.073 -3.504 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.470 2.593 -2.574 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -6.843 3.021 -0.887 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.834 3.677 -2.212 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.131 4.463 -5.377 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.121 3.972 -3.996 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.660 3.138 -4.314 1.00 0.00 H new ATOM 567 N LEU A 36 -5.492 4.837 0.996 1.00 0.00 N ATOM 568 CA LEU A 36 -5.579 4.293 2.346 1.00 0.00 C ATOM 569 C LEU A 36 -6.335 5.261 3.245 1.00 0.00 C ATOM 570 O LEU A 36 -7.196 4.857 4.026 1.00 0.00 O ATOM 571 CB LEU A 36 -4.175 4.051 2.906 1.00 0.00 C ATOM 572 CG LEU A 36 -3.471 2.986 2.067 1.00 0.00 C ATOM 573 CD1 LEU A 36 -2.021 2.847 2.531 1.00 0.00 C ATOM 574 CD2 LEU A 36 -4.192 1.646 2.239 1.00 0.00 C ATOM 0 H LEU A 36 -4.543 4.963 0.645 1.00 0.00 H new ATOM 0 HA LEU A 36 -6.114 3.344 2.312 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.602 4.978 2.893 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.237 3.729 3.945 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.489 3.278 1.017 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.519 2.087 1.932 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.508 3.801 2.411 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.001 2.554 3.581 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.692 0.884 1.641 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.172 1.354 3.289 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.226 1.744 1.909 1.00 0.00 H new ATOM 586 N ALA A 37 -6.023 6.541 3.104 1.00 0.00 N ATOM 587 CA ALA A 37 -6.695 7.571 3.880 1.00 0.00 C ATOM 588 C ALA A 37 -8.131 7.721 3.397 1.00 0.00 C ATOM 589 O ALA A 37 -8.936 8.423 4.010 1.00 0.00 O ATOM 590 CB ALA A 37 -5.959 8.903 3.733 1.00 0.00 C ATOM 0 H ALA A 37 -5.311 6.890 2.462 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.695 7.281 4.931 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.470 9.668 4.318 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -4.936 8.795 4.092 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -5.946 9.197 2.684 1.00 0.00 H new ATOM 596 N ALA A 38 -8.438 7.057 2.286 1.00 0.00 N ATOM 597 CA ALA A 38 -9.774 7.117 1.711 1.00 0.00 C ATOM 598 C ALA A 38 -10.698 6.139 2.421 1.00 0.00 C ATOM 599 O ALA A 38 -11.857 5.976 2.040 1.00 0.00 O ATOM 600 CB ALA A 38 -9.720 6.778 0.221 1.00 0.00 C ATOM 0 H ALA A 38 -7.780 6.473 1.769 1.00 0.00 H new ATOM 0 HA ALA A 38 -10.160 8.129 1.837 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -10.724 6.826 -0.200 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -9.077 7.494 -0.292 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -9.320 5.773 0.091 1.00 0.00 H new ATOM 606 N VAL A 39 -10.176 5.486 3.450 1.00 0.00 N ATOM 607 CA VAL A 39 -10.970 4.521 4.197 1.00 0.00 C ATOM 608 C VAL A 39 -10.545 4.466 5.664 1.00 0.00 C ATOM 609 O VAL A 39 -11.360 4.169 6.538 1.00 0.00 O ATOM 610 CB VAL A 39 -10.828 3.133 3.567 1.00 0.00 C ATOM 611 CG1 VAL A 39 -9.449 2.558 3.896 1.00 0.00 C ATOM 612 CG2 VAL A 39 -11.916 2.207 4.120 1.00 0.00 C ATOM 0 H VAL A 39 -9.219 5.604 3.783 1.00 0.00 H new ATOM 0 HA VAL A 39 -12.012 4.839 4.157 1.00 0.00 H new ATOM 0 HB VAL A 39 -10.936 3.214 2.485 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -9.350 1.570 3.447 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.676 3.216 3.499 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -9.337 2.478 4.977 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -11.815 1.219 3.672 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -11.810 2.127 5.202 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -12.898 2.616 3.881 1.00 0.00 H new ATOM 622 N GLU A 40 -9.274 4.758 5.932 1.00 0.00 N ATOM 623 CA GLU A 40 -8.763 4.745 7.291 1.00 0.00 C ATOM 624 C GLU A 40 -9.467 3.677 8.127 1.00 0.00 C ATOM 625 O GLU A 40 -8.961 2.566 8.281 1.00 0.00 O ATOM 626 CB GLU A 40 -8.959 6.119 7.925 1.00 0.00 C ATOM 627 CG GLU A 40 -7.943 6.299 9.044 1.00 0.00 C ATOM 628 CD GLU A 40 -6.563 6.572 8.456 1.00 0.00 C ATOM 629 OE1 GLU A 40 -6.502 7.037 7.330 1.00 0.00 O ATOM 630 OE2 GLU A 40 -5.587 6.311 9.140 1.00 0.00 O ATOM 0 H GLU A 40 -8.584 5.006 5.223 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.700 4.507 7.261 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.835 6.900 7.175 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.972 6.211 8.318 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.243 7.125 9.689 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.912 5.404 9.666 1.00 0.00 H new ATOM 637 N ALA A 41 -10.640 4.018 8.661 1.00 0.00 N ATOM 638 CA ALA A 41 -11.403 3.074 9.471 1.00 0.00 C ATOM 639 C ALA A 41 -10.910 3.077 10.915 1.00 0.00 C ATOM 640 O ALA A 41 -10.054 3.879 11.288 1.00 0.00 O ATOM 641 CB ALA A 41 -11.275 1.666 8.888 1.00 0.00 C ATOM 0 H ALA A 41 -11.078 4.932 8.548 1.00 0.00 H new ATOM 0 HA ALA A 41 -12.449 3.380 9.460 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.847 0.966 9.498 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.660 1.658 7.868 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.226 1.369 8.882 1.00 0.00 H new ATOM 647 N THR A 42 -11.457 2.175 11.726 1.00 0.00 N ATOM 648 CA THR A 42 -11.064 2.086 13.128 1.00 0.00 C ATOM 649 C THR A 42 -9.690 1.434 13.260 1.00 0.00 C ATOM 650 O THR A 42 -9.122 1.379 14.350 1.00 0.00 O ATOM 651 CB THR A 42 -12.098 1.272 13.913 1.00 0.00 C ATOM 652 OG1 THR A 42 -12.132 -0.059 13.415 1.00 0.00 O ATOM 653 CG2 THR A 42 -13.478 1.914 13.759 1.00 0.00 C ATOM 0 H THR A 42 -12.167 1.501 11.439 1.00 0.00 H new ATOM 0 HA THR A 42 -11.014 3.096 13.536 1.00 0.00 H new ATOM 0 HB THR A 42 -11.823 1.256 14.968 1.00 0.00 H new ATOM 0 HG1 THR A 42 -12.792 -0.580 13.918 1.00 0.00 H new ATOM 0 HG21 THR A 42 -14.213 1.335 14.318 1.00 0.00 H new ATOM 0 HG22 THR A 42 -13.450 2.933 14.145 1.00 0.00 H new ATOM 0 HG23 THR A 42 -13.755 1.932 12.705 1.00 0.00 H new ATOM 661 N VAL A 43 -9.164 0.941 12.143 1.00 0.00 N ATOM 662 CA VAL A 43 -7.864 0.294 12.140 1.00 0.00 C ATOM 663 C VAL A 43 -6.932 0.976 11.139 1.00 0.00 C ATOM 664 O VAL A 43 -6.650 0.427 10.073 1.00 0.00 O ATOM 665 CB VAL A 43 -8.029 -1.172 11.754 1.00 0.00 C ATOM 666 CG1 VAL A 43 -8.481 -1.974 12.974 1.00 0.00 C ATOM 667 CG2 VAL A 43 -9.077 -1.293 10.646 1.00 0.00 C ATOM 0 H VAL A 43 -9.620 0.979 11.231 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.431 0.371 13.137 1.00 0.00 H new ATOM 0 HB VAL A 43 -7.076 -1.562 11.397 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.599 -3.022 12.697 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.734 -1.889 13.763 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -9.434 -1.584 13.333 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -9.195 -2.341 10.370 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -10.030 -0.902 11.002 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.753 -0.723 9.775 1.00 0.00 H new ATOM 677 N PRO A 44 -6.456 2.155 11.451 1.00 0.00 N ATOM 678 CA PRO A 44 -5.546 2.907 10.544 1.00 0.00 C ATOM 679 C PRO A 44 -4.371 2.054 10.073 1.00 0.00 C ATOM 680 O PRO A 44 -3.918 1.157 10.783 1.00 0.00 O ATOM 681 CB PRO A 44 -5.045 4.095 11.374 1.00 0.00 C ATOM 682 CG PRO A 44 -5.673 3.994 12.730 1.00 0.00 C ATOM 683 CD PRO A 44 -6.734 2.895 12.689 1.00 0.00 C ATOM 0 HA PRO A 44 -6.068 3.218 9.639 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -3.958 4.076 11.453 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -5.314 5.037 10.896 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -4.918 3.764 13.482 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -6.123 4.946 13.011 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -6.666 2.246 13.562 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -7.740 3.315 12.682 1.00 0.00 H new ATOM 691 N ILE A 45 -3.881 2.346 8.871 1.00 0.00 N ATOM 692 CA ILE A 45 -2.754 1.606 8.313 1.00 0.00 C ATOM 693 C ILE A 45 -1.461 2.385 8.505 1.00 0.00 C ATOM 694 O ILE A 45 -1.437 3.610 8.376 1.00 0.00 O ATOM 695 CB ILE A 45 -2.961 1.365 6.817 1.00 0.00 C ATOM 696 CG1 ILE A 45 -4.264 0.594 6.590 1.00 0.00 C ATOM 697 CG2 ILE A 45 -1.782 0.550 6.272 1.00 0.00 C ATOM 698 CD1 ILE A 45 -5.353 1.551 6.100 1.00 0.00 C ATOM 0 H ILE A 45 -4.244 3.085 8.269 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.690 0.651 8.834 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.019 2.322 6.299 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.106 -0.198 5.858 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.579 0.113 7.516 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.923 0.374 5.206 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.855 1.101 6.429 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.729 -0.406 6.793 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.278 0.998 5.940 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -5.519 2.327 6.847 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.039 2.011 5.163 1.00 0.00 H new ATOM 710 N SER A 46 -0.382 1.672 8.799 1.00 0.00 N ATOM 711 CA SER A 46 0.908 2.316 8.990 1.00 0.00 C ATOM 712 C SER A 46 1.744 2.176 7.723 1.00 0.00 C ATOM 713 O SER A 46 2.172 1.077 7.366 1.00 0.00 O ATOM 714 CB SER A 46 1.643 1.677 10.169 1.00 0.00 C ATOM 715 OG SER A 46 2.812 2.431 10.460 1.00 0.00 O ATOM 0 H SER A 46 -0.374 0.658 8.909 1.00 0.00 H new ATOM 0 HA SER A 46 0.750 3.373 9.203 1.00 0.00 H new ATOM 0 HB2 SER A 46 0.992 1.643 11.043 1.00 0.00 H new ATOM 0 HB3 SER A 46 1.911 0.648 9.930 1.00 0.00 H new ATOM 0 HG SER A 46 3.284 2.024 11.216 1.00 0.00 H new ATOM 721 N LEU A 47 1.963 3.293 7.039 1.00 0.00 N ATOM 722 CA LEU A 47 2.740 3.275 5.807 1.00 0.00 C ATOM 723 C LEU A 47 4.172 3.713 6.083 1.00 0.00 C ATOM 724 O LEU A 47 4.408 4.795 6.620 1.00 0.00 O ATOM 725 CB LEU A 47 2.104 4.213 4.775 1.00 0.00 C ATOM 726 CG LEU A 47 2.426 3.741 3.350 1.00 0.00 C ATOM 727 CD1 LEU A 47 2.116 4.866 2.364 1.00 0.00 C ATOM 728 CD2 LEU A 47 3.907 3.365 3.230 1.00 0.00 C ATOM 0 H LEU A 47 1.618 4.213 7.313 1.00 0.00 H new ATOM 0 HA LEU A 47 2.749 2.259 5.413 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.024 4.243 4.919 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.474 5.228 4.921 1.00 0.00 H new ATOM 0 HG LEU A 47 1.818 2.864 3.126 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.343 4.535 1.351 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.060 5.128 2.432 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.723 5.739 2.605 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.117 3.033 2.213 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.523 4.234 3.462 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.136 2.561 3.929 1.00 0.00 H new ATOM 740 N GLN A 48 5.124 2.869 5.710 1.00 0.00 N ATOM 741 CA GLN A 48 6.528 3.185 5.919 1.00 0.00 C ATOM 742 C GLN A 48 7.279 3.095 4.597 1.00 0.00 C ATOM 743 O GLN A 48 7.139 2.122 3.857 1.00 0.00 O ATOM 744 CB GLN A 48 7.144 2.215 6.934 1.00 0.00 C ATOM 745 CG GLN A 48 7.577 2.978 8.190 1.00 0.00 C ATOM 746 CD GLN A 48 6.368 3.247 9.079 1.00 0.00 C ATOM 747 OE1 GLN A 48 6.138 4.386 9.485 1.00 0.00 O ATOM 748 NE2 GLN A 48 5.579 2.262 9.406 1.00 0.00 N ATOM 0 H GLN A 48 4.951 1.968 5.265 1.00 0.00 H new ATOM 0 HA GLN A 48 6.607 4.200 6.309 1.00 0.00 H new ATOM 0 HB2 GLN A 48 6.420 1.444 7.198 1.00 0.00 H new ATOM 0 HB3 GLN A 48 8.002 1.709 6.492 1.00 0.00 H new ATOM 0 HG2 GLN A 48 8.321 2.400 8.738 1.00 0.00 H new ATOM 0 HG3 GLN A 48 8.049 3.920 7.909 1.00 0.00 H new ATOM 0 HE21 GLN A 48 5.773 1.319 9.068 1.00 0.00 H new ATOM 0 HE22 GLN A 48 4.768 2.434 10.000 1.00 0.00 H new ATOM 757 N VAL A 49 8.073 4.113 4.307 1.00 0.00 N ATOM 758 CA VAL A 49 8.838 4.134 3.068 1.00 0.00 C ATOM 759 C VAL A 49 10.262 3.683 3.319 1.00 0.00 C ATOM 760 O VAL A 49 10.907 4.127 4.268 1.00 0.00 O ATOM 761 CB VAL A 49 8.869 5.540 2.469 1.00 0.00 C ATOM 762 CG1 VAL A 49 9.506 5.485 1.078 1.00 0.00 C ATOM 763 CG2 VAL A 49 7.441 6.083 2.363 1.00 0.00 C ATOM 0 H VAL A 49 8.205 4.929 4.905 1.00 0.00 H new ATOM 0 HA VAL A 49 8.351 3.454 2.369 1.00 0.00 H new ATOM 0 HB VAL A 49 9.456 6.198 3.110 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.529 6.487 0.649 1.00 0.00 H new ATOM 0 HG12 VAL A 49 10.523 5.101 1.158 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.920 4.828 0.435 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.464 7.086 1.936 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.850 5.429 1.722 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.992 6.122 3.355 1.00 0.00 H new ATOM 773 N ILE A 50 10.752 2.815 2.454 1.00 0.00 N ATOM 774 CA ILE A 50 12.108 2.327 2.580 1.00 0.00 C ATOM 775 C ILE A 50 12.922 2.802 1.390 1.00 0.00 C ATOM 776 O ILE A 50 12.581 2.514 0.243 1.00 0.00 O ATOM 777 CB ILE A 50 12.104 0.802 2.624 1.00 0.00 C ATOM 778 CG1 ILE A 50 11.061 0.331 3.637 1.00 0.00 C ATOM 779 CG2 ILE A 50 13.485 0.305 3.048 1.00 0.00 C ATOM 780 CD1 ILE A 50 11.070 -1.196 3.711 1.00 0.00 C ATOM 0 H ILE A 50 10.233 2.436 1.662 1.00 0.00 H new ATOM 0 HA ILE A 50 12.549 2.709 3.501 1.00 0.00 H new ATOM 0 HB ILE A 50 11.862 0.406 1.638 1.00 0.00 H new ATOM 0 HG12 ILE A 50 11.276 0.754 4.618 1.00 0.00 H new ATOM 0 HG13 ILE A 50 10.072 0.685 3.347 1.00 0.00 H new ATOM 0 HG21 ILE A 50 13.485 -0.785 3.080 1.00 0.00 H new ATOM 0 HG22 ILE A 50 14.231 0.647 2.330 1.00 0.00 H new ATOM 0 HG23 ILE A 50 13.725 0.697 4.036 1.00 0.00 H new ATOM 0 HD11 ILE A 50 10.326 -1.530 4.434 1.00 0.00 H new ATOM 0 HD12 ILE A 50 10.834 -1.609 2.730 1.00 0.00 H new ATOM 0 HD13 ILE A 50 12.057 -1.539 4.022 1.00 0.00 H new ATOM 792 N ASN A 51 13.999 3.526 1.656 1.00 0.00 N ATOM 793 CA ASN A 51 14.831 4.020 0.574 1.00 0.00 C ATOM 794 C ASN A 51 15.772 2.910 0.123 1.00 0.00 C ATOM 795 O ASN A 51 16.752 2.601 0.798 1.00 0.00 O ATOM 796 CB ASN A 51 15.639 5.235 1.033 1.00 0.00 C ATOM 797 CG ASN A 51 16.303 5.904 -0.167 1.00 0.00 C ATOM 798 OD1 ASN A 51 17.458 6.320 -0.088 1.00 0.00 O ATOM 799 ND2 ASN A 51 15.636 6.032 -1.282 1.00 0.00 N ATOM 0 H ASN A 51 14.312 3.780 2.593 1.00 0.00 H new ATOM 0 HA ASN A 51 14.196 4.325 -0.258 1.00 0.00 H new ATOM 0 HB2 ASN A 51 14.986 5.945 1.541 1.00 0.00 H new ATOM 0 HB3 ASN A 51 16.397 4.927 1.753 1.00 0.00 H new ATOM 0 HD21 ASN A 51 16.073 6.477 -2.089 1.00 0.00 H new ATOM 0 HD22 ASN A 51 14.678 5.687 -1.346 1.00 0.00 H new ATOM 806 N VAL A 52 15.453 2.298 -1.012 1.00 0.00 N ATOM 807 CA VAL A 52 16.264 1.202 -1.530 1.00 0.00 C ATOM 808 C VAL A 52 17.709 1.638 -1.734 1.00 0.00 C ATOM 809 O VAL A 52 18.617 0.808 -1.779 1.00 0.00 O ATOM 810 CB VAL A 52 15.683 0.705 -2.853 1.00 0.00 C ATOM 811 CG1 VAL A 52 14.208 0.344 -2.655 1.00 0.00 C ATOM 812 CG2 VAL A 52 15.801 1.807 -3.907 1.00 0.00 C ATOM 0 H VAL A 52 14.646 2.539 -1.587 1.00 0.00 H new ATOM 0 HA VAL A 52 16.250 0.394 -0.799 1.00 0.00 H new ATOM 0 HB VAL A 52 16.233 -0.175 -3.186 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.791 -0.011 -3.597 1.00 0.00 H new ATOM 0 HG12 VAL A 52 14.123 -0.440 -1.902 1.00 0.00 H new ATOM 0 HG13 VAL A 52 13.659 1.226 -2.324 1.00 0.00 H new ATOM 0 HG21 VAL A 52 15.387 1.453 -4.851 1.00 0.00 H new ATOM 0 HG22 VAL A 52 15.250 2.687 -3.576 1.00 0.00 H new ATOM 0 HG23 VAL A 52 16.850 2.067 -4.046 1.00 0.00 H new ATOM 822 N ALA A 53 17.917 2.942 -1.855 1.00 0.00 N ATOM 823 CA ALA A 53 19.256 3.476 -2.050 1.00 0.00 C ATOM 824 C ALA A 53 20.052 3.412 -0.753 1.00 0.00 C ATOM 825 O ALA A 53 21.271 3.586 -0.757 1.00 0.00 O ATOM 826 CB ALA A 53 19.173 4.926 -2.528 1.00 0.00 C ATOM 0 H ALA A 53 17.179 3.646 -1.822 1.00 0.00 H new ATOM 0 HA ALA A 53 19.762 2.872 -2.803 1.00 0.00 H new ATOM 0 HB1 ALA A 53 20.179 5.320 -2.672 1.00 0.00 H new ATOM 0 HB2 ALA A 53 18.629 4.968 -3.471 1.00 0.00 H new ATOM 0 HB3 ALA A 53 18.652 5.526 -1.782 1.00 0.00 H new ATOM 832 N ASP A 54 19.364 3.177 0.361 1.00 0.00 N ATOM 833 CA ASP A 54 20.039 3.116 1.643 1.00 0.00 C ATOM 834 C ASP A 54 20.250 1.673 2.086 1.00 0.00 C ATOM 835 O ASP A 54 21.343 1.299 2.515 1.00 0.00 O ATOM 836 CB ASP A 54 19.219 3.860 2.699 1.00 0.00 C ATOM 837 CG ASP A 54 19.076 5.329 2.313 1.00 0.00 C ATOM 838 OD1 ASP A 54 19.638 5.714 1.301 1.00 0.00 O ATOM 839 OD2 ASP A 54 18.411 6.047 3.040 1.00 0.00 O ATOM 0 H ASP A 54 18.356 3.028 0.398 1.00 0.00 H new ATOM 0 HA ASP A 54 21.015 3.589 1.534 1.00 0.00 H new ATOM 0 HB2 ASP A 54 18.234 3.403 2.794 1.00 0.00 H new ATOM 0 HB3 ASP A 54 19.704 3.777 3.672 1.00 0.00 H new ATOM 844 N GLN A 55 19.194 0.871 2.004 1.00 0.00 N ATOM 845 CA GLN A 55 19.283 -0.520 2.427 1.00 0.00 C ATOM 846 C GLN A 55 18.555 -1.456 1.459 1.00 0.00 C ATOM 847 O GLN A 55 17.424 -1.863 1.696 1.00 0.00 O ATOM 848 CB GLN A 55 18.712 -0.644 3.840 1.00 0.00 C ATOM 849 CG GLN A 55 17.196 -0.407 3.836 1.00 0.00 C ATOM 850 CD GLN A 55 16.818 0.605 2.755 1.00 0.00 C ATOM 851 OE1 GLN A 55 16.569 0.194 1.543 1.00 0.00 O flip ATOM 852 NE2 GLN A 55 16.741 1.803 3.029 1.00 0.00 N flip ATOM 0 H GLN A 55 18.279 1.155 1.654 1.00 0.00 H new ATOM 0 HA GLN A 55 20.330 -0.822 2.425 1.00 0.00 H new ATOM 0 HB2 GLN A 55 18.929 -1.635 4.239 1.00 0.00 H new ATOM 0 HB3 GLN A 55 19.196 0.078 4.498 1.00 0.00 H new ATOM 0 HG2 GLN A 55 16.675 -1.348 3.660 1.00 0.00 H new ATOM 0 HG3 GLN A 55 16.876 -0.043 4.812 1.00 0.00 H new ATOM 0 HE21 GLN A 55 16.936 2.123 3.978 1.00 0.00 H new ATOM 0 HE22 GLN A 55 16.482 2.476 2.307 1.00 0.00 H new ATOM 861 N PRO A 56 19.200 -1.800 0.379 1.00 0.00 N ATOM 862 CA PRO A 56 18.636 -2.709 -0.661 1.00 0.00 C ATOM 863 C PRO A 56 18.643 -4.179 -0.232 1.00 0.00 C ATOM 864 O PRO A 56 18.205 -5.058 -0.981 1.00 0.00 O ATOM 865 CB PRO A 56 19.554 -2.516 -1.874 1.00 0.00 C ATOM 866 CG PRO A 56 20.591 -1.506 -1.489 1.00 0.00 C ATOM 867 CD PRO A 56 20.549 -1.360 0.028 1.00 0.00 C ATOM 0 HA PRO A 56 17.591 -2.470 -0.859 1.00 0.00 H new ATOM 0 HB2 PRO A 56 20.022 -3.459 -2.156 1.00 0.00 H new ATOM 0 HB3 PRO A 56 18.984 -2.172 -2.737 1.00 0.00 H new ATOM 0 HG2 PRO A 56 21.580 -1.828 -1.816 1.00 0.00 H new ATOM 0 HG3 PRO A 56 20.392 -0.549 -1.972 1.00 0.00 H new ATOM 0 HD2 PRO A 56 21.309 -1.974 0.511 1.00 0.00 H new ATOM 0 HD3 PRO A 56 20.728 -0.330 0.337 1.00 0.00 H new ATOM 875 N GLN A 57 19.178 -4.443 0.953 1.00 0.00 N ATOM 876 CA GLN A 57 19.287 -5.816 1.449 1.00 0.00 C ATOM 877 C GLN A 57 17.917 -6.454 1.670 1.00 0.00 C ATOM 878 O GLN A 57 17.698 -7.598 1.272 1.00 0.00 O ATOM 879 CB GLN A 57 20.060 -5.829 2.769 1.00 0.00 C ATOM 880 CG GLN A 57 20.372 -7.275 3.164 1.00 0.00 C ATOM 881 CD GLN A 57 20.990 -7.318 4.558 1.00 0.00 C ATOM 882 OE1 GLN A 57 21.181 -6.277 5.186 1.00 0.00 O ATOM 883 NE2 GLN A 57 21.317 -8.469 5.083 1.00 0.00 N ATOM 0 H GLN A 57 19.542 -3.732 1.588 1.00 0.00 H new ATOM 0 HA GLN A 57 19.815 -6.395 0.692 1.00 0.00 H new ATOM 0 HB2 GLN A 57 20.985 -5.261 2.667 1.00 0.00 H new ATOM 0 HB3 GLN A 57 19.474 -5.346 3.551 1.00 0.00 H new ATOM 0 HG2 GLN A 57 19.459 -7.870 3.144 1.00 0.00 H new ATOM 0 HG3 GLN A 57 21.057 -7.718 2.441 1.00 0.00 H new ATOM 0 HE21 GLN A 57 21.158 -9.331 4.561 1.00 0.00 H new ATOM 0 HE22 GLN A 57 21.731 -8.505 6.014 1.00 0.00 H new ATOM 892 N LEU A 58 16.992 -5.727 2.290 1.00 0.00 N ATOM 893 CA LEU A 58 15.665 -6.282 2.521 1.00 0.00 C ATOM 894 C LEU A 58 14.863 -6.323 1.218 1.00 0.00 C ATOM 895 O LEU A 58 13.926 -7.111 1.084 1.00 0.00 O ATOM 896 CB LEU A 58 14.902 -5.498 3.600 1.00 0.00 C ATOM 897 CG LEU A 58 15.361 -4.045 3.623 1.00 0.00 C ATOM 898 CD1 LEU A 58 15.262 -3.463 2.220 1.00 0.00 C ATOM 899 CD2 LEU A 58 14.464 -3.247 4.572 1.00 0.00 C ATOM 0 H LEU A 58 17.131 -4.777 2.633 1.00 0.00 H new ATOM 0 HA LEU A 58 15.794 -7.302 2.884 1.00 0.00 H new ATOM 0 HB2 LEU A 58 13.831 -5.545 3.404 1.00 0.00 H new ATOM 0 HB3 LEU A 58 15.068 -5.954 4.576 1.00 0.00 H new ATOM 0 HG LEU A 58 16.394 -3.991 3.967 1.00 0.00 H new ATOM 0 HD11 LEU A 58 15.590 -2.424 2.233 1.00 0.00 H new ATOM 0 HD12 LEU A 58 15.897 -4.035 1.543 1.00 0.00 H new ATOM 0 HD13 LEU A 58 14.228 -3.513 1.877 1.00 0.00 H new ATOM 0 HD21 LEU A 58 14.789 -2.207 4.591 1.00 0.00 H new ATOM 0 HD22 LEU A 58 13.432 -3.298 4.226 1.00 0.00 H new ATOM 0 HD23 LEU A 58 14.531 -3.667 5.576 1.00 0.00 H new ATOM 911 N VAL A 59 15.244 -5.484 0.250 1.00 0.00 N ATOM 912 CA VAL A 59 14.552 -5.456 -1.035 1.00 0.00 C ATOM 913 C VAL A 59 14.703 -6.814 -1.716 1.00 0.00 C ATOM 914 O VAL A 59 13.725 -7.399 -2.180 1.00 0.00 O ATOM 915 CB VAL A 59 15.139 -4.356 -1.926 1.00 0.00 C ATOM 916 CG1 VAL A 59 14.337 -4.269 -3.219 1.00 0.00 C ATOM 917 CG2 VAL A 59 15.065 -3.011 -1.201 1.00 0.00 C ATOM 0 H VAL A 59 16.018 -4.825 0.332 1.00 0.00 H new ATOM 0 HA VAL A 59 13.495 -5.245 -0.872 1.00 0.00 H new ATOM 0 HB VAL A 59 16.179 -4.593 -2.151 1.00 0.00 H new ATOM 0 HG11 VAL A 59 14.754 -3.487 -3.854 1.00 0.00 H new ATOM 0 HG12 VAL A 59 14.385 -5.224 -3.742 1.00 0.00 H new ATOM 0 HG13 VAL A 59 13.298 -4.034 -2.988 1.00 0.00 H new ATOM 0 HG21 VAL A 59 15.483 -2.231 -1.837 1.00 0.00 H new ATOM 0 HG22 VAL A 59 14.025 -2.776 -0.975 1.00 0.00 H new ATOM 0 HG23 VAL A 59 15.634 -3.066 -0.273 1.00 0.00 H new ATOM 927 N GLU A 60 15.929 -7.329 -1.741 1.00 0.00 N ATOM 928 CA GLU A 60 16.177 -8.640 -2.336 1.00 0.00 C ATOM 929 C GLU A 60 15.560 -9.726 -1.463 1.00 0.00 C ATOM 930 O GLU A 60 15.071 -10.738 -1.964 1.00 0.00 O ATOM 931 CB GLU A 60 17.681 -8.877 -2.486 1.00 0.00 C ATOM 932 CG GLU A 60 18.231 -7.945 -3.567 1.00 0.00 C ATOM 933 CD GLU A 60 19.727 -8.178 -3.748 1.00 0.00 C ATOM 934 OE1 GLU A 60 20.303 -8.871 -2.927 1.00 0.00 O ATOM 935 OE2 GLU A 60 20.274 -7.660 -4.707 1.00 0.00 O ATOM 0 H GLU A 60 16.756 -6.867 -1.362 1.00 0.00 H new ATOM 0 HA GLU A 60 15.719 -8.673 -3.325 1.00 0.00 H new ATOM 0 HB2 GLU A 60 18.187 -8.693 -1.538 1.00 0.00 H new ATOM 0 HB3 GLU A 60 17.873 -9.916 -2.753 1.00 0.00 H new ATOM 0 HG2 GLU A 60 17.711 -8.121 -4.509 1.00 0.00 H new ATOM 0 HG3 GLU A 60 18.048 -6.907 -3.291 1.00 0.00 H new ATOM 942 N TYR A 61 15.572 -9.495 -0.155 1.00 0.00 N ATOM 943 CA TYR A 61 14.992 -10.448 0.784 1.00 0.00 C ATOM 944 C TYR A 61 13.543 -10.720 0.412 1.00 0.00 C ATOM 945 O TYR A 61 13.084 -11.862 0.434 1.00 0.00 O ATOM 946 CB TYR A 61 15.063 -9.890 2.203 1.00 0.00 C ATOM 947 CG TYR A 61 14.426 -10.867 3.157 1.00 0.00 C ATOM 948 CD1 TYR A 61 15.096 -12.045 3.506 1.00 0.00 C ATOM 949 CD2 TYR A 61 13.161 -10.597 3.685 1.00 0.00 C ATOM 950 CE1 TYR A 61 14.498 -12.954 4.387 1.00 0.00 C ATOM 951 CE2 TYR A 61 12.561 -11.505 4.565 1.00 0.00 C ATOM 952 CZ TYR A 61 13.231 -12.685 4.916 1.00 0.00 C ATOM 953 OH TYR A 61 12.639 -13.581 5.782 1.00 0.00 O ATOM 0 H TYR A 61 15.974 -8.663 0.277 1.00 0.00 H new ATOM 0 HA TYR A 61 15.556 -11.380 0.739 1.00 0.00 H new ATOM 0 HB2 TYR A 61 16.101 -9.714 2.485 1.00 0.00 H new ATOM 0 HB3 TYR A 61 14.551 -8.929 2.254 1.00 0.00 H new ATOM 0 HD1 TYR A 61 16.073 -12.253 3.096 1.00 0.00 H new ATOM 0 HD2 TYR A 61 12.646 -9.687 3.414 1.00 0.00 H new ATOM 0 HE1 TYR A 61 15.015 -13.863 4.658 1.00 0.00 H new ATOM 0 HE2 TYR A 61 11.583 -11.297 4.973 1.00 0.00 H new ATOM 0 HH TYR A 61 11.762 -13.240 6.056 1.00 0.00 H new ATOM 963 N TYR A 62 12.836 -9.659 0.049 1.00 0.00 N ATOM 964 CA TYR A 62 11.449 -9.776 -0.353 1.00 0.00 C ATOM 965 C TYR A 62 11.389 -10.153 -1.825 1.00 0.00 C ATOM 966 O TYR A 62 10.348 -10.032 -2.469 1.00 0.00 O ATOM 967 CB TYR A 62 10.739 -8.441 -0.142 1.00 0.00 C ATOM 968 CG TYR A 62 10.692 -8.106 1.326 1.00 0.00 C ATOM 969 CD1 TYR A 62 10.087 -8.986 2.231 1.00 0.00 C ATOM 970 CD2 TYR A 62 11.251 -6.908 1.782 1.00 0.00 C ATOM 971 CE1 TYR A 62 10.044 -8.666 3.594 1.00 0.00 C ATOM 972 CE2 TYR A 62 11.208 -6.587 3.142 1.00 0.00 C ATOM 973 CZ TYR A 62 10.605 -7.466 4.050 1.00 0.00 C ATOM 974 OH TYR A 62 10.562 -7.150 5.393 1.00 0.00 O ATOM 0 H TYR A 62 13.204 -8.708 0.026 1.00 0.00 H new ATOM 0 HA TYR A 62 10.958 -10.543 0.246 1.00 0.00 H new ATOM 0 HB2 TYR A 62 11.260 -7.653 -0.686 1.00 0.00 H new ATOM 0 HB3 TYR A 62 9.727 -8.491 -0.544 1.00 0.00 H new ATOM 0 HD1 TYR A 62 9.654 -9.911 1.879 1.00 0.00 H new ATOM 0 HD2 TYR A 62 11.717 -6.230 1.082 1.00 0.00 H new ATOM 0 HE1 TYR A 62 9.578 -9.344 4.293 1.00 0.00 H new ATOM 0 HE2 TYR A 62 11.640 -5.661 3.492 1.00 0.00 H new ATOM 0 HH TYR A 62 10.997 -6.284 5.539 1.00 0.00 H new ATOM 984 N ARG A 63 12.530 -10.586 -2.355 1.00 0.00 N ATOM 985 CA ARG A 63 12.612 -10.949 -3.757 1.00 0.00 C ATOM 986 C ARG A 63 12.263 -9.730 -4.592 1.00 0.00 C ATOM 987 O ARG A 63 12.223 -9.776 -5.821 1.00 0.00 O ATOM 988 CB ARG A 63 11.641 -12.082 -4.056 1.00 0.00 C ATOM 989 CG ARG A 63 11.957 -13.269 -3.145 1.00 0.00 C ATOM 990 CD ARG A 63 11.098 -14.460 -3.557 1.00 0.00 C ATOM 991 NE ARG A 63 10.987 -15.408 -2.455 1.00 0.00 N ATOM 992 CZ ARG A 63 9.996 -16.293 -2.405 1.00 0.00 C ATOM 993 NH1 ARG A 63 8.795 -15.911 -2.071 1.00 0.00 N ATOM 994 NH2 ARG A 63 10.225 -17.546 -2.691 1.00 0.00 N ATOM 0 H ARG A 63 13.401 -10.692 -1.835 1.00 0.00 H new ATOM 0 HA ARG A 63 13.621 -11.286 -3.997 1.00 0.00 H new ATOM 0 HB2 ARG A 63 10.615 -11.749 -3.897 1.00 0.00 H new ATOM 0 HB3 ARG A 63 11.721 -12.379 -5.102 1.00 0.00 H new ATOM 0 HG2 ARG A 63 13.014 -13.526 -3.216 1.00 0.00 H new ATOM 0 HG3 ARG A 63 11.762 -13.007 -2.105 1.00 0.00 H new ATOM 0 HD2 ARG A 63 10.106 -14.117 -3.852 1.00 0.00 H new ATOM 0 HD3 ARG A 63 11.537 -14.951 -4.425 1.00 0.00 H new ATOM 0 HE ARG A 63 11.682 -15.392 -1.709 1.00 0.00 H new ATOM 0 HH11 ARG A 63 8.615 -14.932 -1.848 1.00 0.00 H new ATOM 0 HH12 ARG A 63 8.036 -16.591 -2.033 1.00 0.00 H new ATOM 0 HH21 ARG A 63 11.164 -17.846 -2.953 1.00 0.00 H new ATOM 0 HH22 ARG A 63 9.465 -18.225 -2.653 1.00 0.00 H new ATOM 1008 N LEU A 64 12.015 -8.637 -3.886 1.00 0.00 N ATOM 1009 CA LEU A 64 11.670 -7.373 -4.510 1.00 0.00 C ATOM 1010 C LEU A 64 12.831 -6.899 -5.381 1.00 0.00 C ATOM 1011 O LEU A 64 13.984 -6.923 -4.954 1.00 0.00 O ATOM 1012 CB LEU A 64 11.378 -6.355 -3.399 1.00 0.00 C ATOM 1013 CG LEU A 64 10.533 -5.200 -3.924 1.00 0.00 C ATOM 1014 CD1 LEU A 64 11.292 -4.472 -5.028 1.00 0.00 C ATOM 1015 CD2 LEU A 64 9.212 -5.744 -4.469 1.00 0.00 C ATOM 0 H LEU A 64 12.048 -8.603 -2.867 1.00 0.00 H new ATOM 0 HA LEU A 64 10.791 -7.485 -5.145 1.00 0.00 H new ATOM 0 HB2 LEU A 64 10.857 -6.847 -2.578 1.00 0.00 H new ATOM 0 HB3 LEU A 64 12.316 -5.971 -2.997 1.00 0.00 H new ATOM 0 HG LEU A 64 10.326 -4.500 -3.114 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.687 -3.647 -5.402 1.00 0.00 H new ATOM 0 HD12 LEU A 64 12.229 -4.083 -4.630 1.00 0.00 H new ATOM 0 HD13 LEU A 64 11.504 -5.165 -5.842 1.00 0.00 H new ATOM 0 HD21 LEU A 64 8.606 -4.919 -4.845 1.00 0.00 H new ATOM 0 HD22 LEU A 64 9.414 -6.445 -5.279 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.673 -6.256 -3.672 1.00 0.00 H new ATOM 1027 N VAL A 65 12.531 -6.488 -6.609 1.00 0.00 N ATOM 1028 CA VAL A 65 13.580 -6.029 -7.517 1.00 0.00 C ATOM 1029 C VAL A 65 13.101 -4.872 -8.392 1.00 0.00 C ATOM 1030 O VAL A 65 13.895 -4.257 -9.104 1.00 0.00 O ATOM 1031 CB VAL A 65 14.044 -7.182 -8.409 1.00 0.00 C ATOM 1032 CG1 VAL A 65 15.138 -6.687 -9.356 1.00 0.00 C ATOM 1033 CG2 VAL A 65 14.604 -8.309 -7.539 1.00 0.00 C ATOM 0 H VAL A 65 11.587 -6.462 -6.995 1.00 0.00 H new ATOM 0 HA VAL A 65 14.411 -5.675 -6.907 1.00 0.00 H new ATOM 0 HB VAL A 65 13.198 -7.552 -8.988 1.00 0.00 H new ATOM 0 HG11 VAL A 65 15.468 -7.509 -9.991 1.00 0.00 H new ATOM 0 HG12 VAL A 65 14.744 -5.883 -9.978 1.00 0.00 H new ATOM 0 HG13 VAL A 65 15.982 -6.316 -8.775 1.00 0.00 H new ATOM 0 HG21 VAL A 65 14.934 -9.130 -8.175 1.00 0.00 H new ATOM 0 HG22 VAL A 65 15.449 -7.936 -6.960 1.00 0.00 H new ATOM 0 HG23 VAL A 65 13.828 -8.665 -6.861 1.00 0.00 H new ATOM 1043 N VAL A 66 11.807 -4.575 -8.343 1.00 0.00 N ATOM 1044 CA VAL A 66 11.259 -3.494 -9.138 1.00 0.00 C ATOM 1045 C VAL A 66 10.781 -2.364 -8.237 1.00 0.00 C ATOM 1046 O VAL A 66 10.235 -2.603 -7.160 1.00 0.00 O ATOM 1047 CB VAL A 66 10.087 -4.014 -9.967 1.00 0.00 C ATOM 1048 CG1 VAL A 66 10.598 -4.992 -11.026 1.00 0.00 C ATOM 1049 CG2 VAL A 66 9.088 -4.726 -9.054 1.00 0.00 C ATOM 0 H VAL A 66 11.126 -5.066 -7.764 1.00 0.00 H new ATOM 0 HA VAL A 66 12.038 -3.113 -9.799 1.00 0.00 H new ATOM 0 HB VAL A 66 9.595 -3.175 -10.458 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.759 -5.361 -11.616 1.00 0.00 H new ATOM 0 HG12 VAL A 66 11.305 -4.483 -11.681 1.00 0.00 H new ATOM 0 HG13 VAL A 66 11.095 -5.830 -10.538 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.252 -5.096 -9.648 1.00 0.00 H new ATOM 0 HG22 VAL A 66 9.580 -5.563 -8.559 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.718 -4.027 -8.304 1.00 0.00 H new ATOM 1059 N THR A 67 10.983 -1.133 -8.687 1.00 0.00 N ATOM 1060 CA THR A 67 10.558 0.023 -7.914 1.00 0.00 C ATOM 1061 C THR A 67 9.892 1.042 -8.835 1.00 0.00 C ATOM 1062 O THR A 67 10.252 1.152 -10.007 1.00 0.00 O ATOM 1063 CB THR A 67 11.759 0.660 -7.208 1.00 0.00 C ATOM 1064 OG1 THR A 67 12.803 0.866 -8.149 1.00 0.00 O ATOM 1065 CG2 THR A 67 12.245 -0.270 -6.091 1.00 0.00 C ATOM 0 H THR A 67 11.434 -0.911 -9.575 1.00 0.00 H new ATOM 0 HA THR A 67 9.841 -0.300 -7.159 1.00 0.00 H new ATOM 0 HB THR A 67 11.466 1.618 -6.778 1.00 0.00 H new ATOM 0 HG1 THR A 67 13.572 1.275 -7.700 1.00 0.00 H new ATOM 0 HG21 THR A 67 13.100 0.182 -5.588 1.00 0.00 H new ATOM 0 HG22 THR A 67 11.441 -0.426 -5.372 1.00 0.00 H new ATOM 0 HG23 THR A 67 12.540 -1.228 -6.518 1.00 0.00 H new ATOM 1073 N PRO A 68 8.932 1.781 -8.340 1.00 0.00 N ATOM 1074 CA PRO A 68 8.463 1.683 -6.931 1.00 0.00 C ATOM 1075 C PRO A 68 7.645 0.416 -6.688 1.00 0.00 C ATOM 1076 O PRO A 68 7.115 -0.183 -7.624 1.00 0.00 O ATOM 1077 CB PRO A 68 7.597 2.935 -6.720 1.00 0.00 C ATOM 1078 CG PRO A 68 7.598 3.696 -8.012 1.00 0.00 C ATOM 1079 CD PRO A 68 8.191 2.793 -9.091 1.00 0.00 C ATOM 0 HA PRO A 68 9.301 1.628 -6.236 1.00 0.00 H new ATOM 0 HB2 PRO A 68 6.581 2.658 -6.437 1.00 0.00 H new ATOM 0 HB3 PRO A 68 7.997 3.548 -5.912 1.00 0.00 H new ATOM 0 HG2 PRO A 68 6.584 3.994 -8.279 1.00 0.00 H new ATOM 0 HG3 PRO A 68 8.184 4.610 -7.916 1.00 0.00 H new ATOM 0 HD2 PRO A 68 7.412 2.342 -9.706 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.845 3.350 -9.762 1.00 0.00 H new ATOM 1087 N ALA A 69 7.559 0.006 -5.428 1.00 0.00 N ATOM 1088 CA ALA A 69 6.817 -1.198 -5.076 1.00 0.00 C ATOM 1089 C ALA A 69 6.223 -1.067 -3.672 1.00 0.00 C ATOM 1090 O ALA A 69 6.740 -0.322 -2.838 1.00 0.00 O ATOM 1091 CB ALA A 69 7.749 -2.408 -5.115 1.00 0.00 C ATOM 0 H ALA A 69 7.991 0.486 -4.638 1.00 0.00 H new ATOM 0 HA ALA A 69 6.009 -1.330 -5.795 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.190 -3.306 -4.851 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.160 -2.518 -6.118 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.562 -2.264 -4.403 1.00 0.00 H new ATOM 1097 N LEU A 70 5.144 -1.798 -3.416 1.00 0.00 N ATOM 1098 CA LEU A 70 4.496 -1.757 -2.109 1.00 0.00 C ATOM 1099 C LEU A 70 4.346 -3.169 -1.548 1.00 0.00 C ATOM 1100 O LEU A 70 3.910 -4.079 -2.252 1.00 0.00 O ATOM 1101 CB LEU A 70 3.119 -1.102 -2.235 1.00 0.00 C ATOM 1102 CG LEU A 70 2.645 -0.645 -0.856 1.00 0.00 C ATOM 1103 CD1 LEU A 70 1.473 0.327 -1.013 1.00 0.00 C ATOM 1104 CD2 LEU A 70 2.199 -1.855 -0.035 1.00 0.00 C ATOM 0 H LEU A 70 4.701 -2.422 -4.090 1.00 0.00 H new ATOM 0 HA LEU A 70 5.114 -1.172 -1.428 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.170 -0.251 -2.914 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.406 -1.808 -2.661 1.00 0.00 H new ATOM 0 HG LEU A 70 3.466 -0.145 -0.342 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.136 0.652 -0.029 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.794 1.193 -1.591 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.654 -0.172 -1.531 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.862 -1.524 0.947 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.381 -2.361 -0.548 1.00 0.00 H new ATOM 0 HD23 LEU A 70 3.036 -2.544 0.082 1.00 0.00 H new ATOM 1116 N VAL A 71 4.717 -3.352 -0.283 1.00 0.00 N ATOM 1117 CA VAL A 71 4.618 -4.670 0.335 1.00 0.00 C ATOM 1118 C VAL A 71 3.884 -4.624 1.676 1.00 0.00 C ATOM 1119 O VAL A 71 4.235 -3.849 2.566 1.00 0.00 O ATOM 1120 CB VAL A 71 6.021 -5.247 0.544 1.00 0.00 C ATOM 1121 CG1 VAL A 71 5.913 -6.645 1.157 1.00 0.00 C ATOM 1122 CG2 VAL A 71 6.745 -5.337 -0.805 1.00 0.00 C ATOM 0 H VAL A 71 5.082 -2.618 0.324 1.00 0.00 H new ATOM 0 HA VAL A 71 4.043 -5.305 -0.338 1.00 0.00 H new ATOM 0 HB VAL A 71 6.582 -4.597 1.215 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.912 -7.055 1.306 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.400 -6.583 2.117 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.350 -7.294 0.486 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.743 -5.748 -0.655 1.00 0.00 H new ATOM 0 HG22 VAL A 71 6.183 -5.985 -1.477 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.824 -4.342 -1.243 1.00 0.00 H new ATOM 1132 N LYS A 72 2.879 -5.492 1.818 1.00 0.00 N ATOM 1133 CA LYS A 72 2.114 -5.583 3.061 1.00 0.00 C ATOM 1134 C LYS A 72 2.728 -6.656 3.950 1.00 0.00 C ATOM 1135 O LYS A 72 3.038 -7.751 3.483 1.00 0.00 O ATOM 1136 CB LYS A 72 0.652 -5.942 2.777 1.00 0.00 C ATOM 1137 CG LYS A 72 -0.179 -5.718 4.047 1.00 0.00 C ATOM 1138 CD LYS A 72 -1.407 -6.630 4.019 1.00 0.00 C ATOM 1139 CE LYS A 72 -2.419 -6.169 5.072 1.00 0.00 C ATOM 1140 NZ LYS A 72 -2.115 -6.826 6.374 1.00 0.00 N ATOM 0 H LYS A 72 2.578 -6.139 1.089 1.00 0.00 H new ATOM 0 HA LYS A 72 2.145 -4.614 3.560 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.266 -5.329 1.963 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.576 -6.981 2.457 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.423 -5.928 4.931 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.489 -4.675 4.113 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.864 -6.610 3.029 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.110 -7.661 4.213 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.378 -5.085 5.181 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.431 -6.419 4.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.986 -7.237 6.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.412 -7.579 6.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.734 -6.122 7.038 1.00 0.00 H new ATOM 1154 N ILE A 73 2.913 -6.343 5.224 1.00 0.00 N ATOM 1155 CA ILE A 73 3.504 -7.308 6.143 1.00 0.00 C ATOM 1156 C ILE A 73 2.464 -7.903 7.094 1.00 0.00 C ATOM 1157 O ILE A 73 2.700 -8.955 7.687 1.00 0.00 O ATOM 1158 CB ILE A 73 4.633 -6.650 6.936 1.00 0.00 C ATOM 1159 CG1 ILE A 73 4.352 -5.152 7.060 1.00 0.00 C ATOM 1160 CG2 ILE A 73 5.963 -6.871 6.213 1.00 0.00 C ATOM 1161 CD1 ILE A 73 4.889 -4.423 5.825 1.00 0.00 C ATOM 0 H ILE A 73 2.668 -5.445 5.641 1.00 0.00 H new ATOM 0 HA ILE A 73 3.908 -8.128 5.549 1.00 0.00 H new ATOM 0 HB ILE A 73 4.691 -7.092 7.931 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.280 -4.980 7.158 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.822 -4.757 7.961 1.00 0.00 H new ATOM 0 HG21 ILE A 73 6.767 -6.401 6.779 1.00 0.00 H new ATOM 0 HG22 ILE A 73 6.157 -7.940 6.126 1.00 0.00 H new ATOM 0 HG23 ILE A 73 5.914 -6.429 5.218 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.687 -3.356 5.916 1.00 0.00 H new ATOM 0 HD12 ILE A 73 5.964 -4.584 5.747 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.398 -4.810 4.932 1.00 0.00 H new ATOM 1173 N GLY A 74 1.309 -7.250 7.234 1.00 0.00 N ATOM 1174 CA GLY A 74 0.271 -7.776 8.118 1.00 0.00 C ATOM 1175 C GLY A 74 -0.466 -6.666 8.861 1.00 0.00 C ATOM 1176 O GLY A 74 -0.274 -5.483 8.581 1.00 0.00 O ATOM 0 H GLY A 74 1.073 -6.378 6.760 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.443 -8.356 7.533 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.721 -8.458 8.839 1.00 0.00 H new ATOM 1180 N PRO A 75 -1.313 -7.032 9.792 1.00 0.00 N ATOM 1181 CA PRO A 75 -1.559 -8.459 10.143 1.00 0.00 C ATOM 1182 C PRO A 75 -2.168 -9.234 8.979 1.00 0.00 C ATOM 1183 O PRO A 75 -2.886 -8.669 8.153 1.00 0.00 O ATOM 1184 CB PRO A 75 -2.521 -8.421 11.338 1.00 0.00 C ATOM 1185 CG PRO A 75 -2.795 -6.983 11.652 1.00 0.00 C ATOM 1186 CD PRO A 75 -2.127 -6.112 10.588 1.00 0.00 C ATOM 0 HA PRO A 75 -0.627 -8.972 10.381 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -3.447 -8.945 11.101 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -2.082 -8.924 12.199 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -3.869 -6.799 11.671 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -2.411 -6.733 12.641 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -2.869 -5.608 9.969 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -1.512 -5.336 11.044 1.00 0.00 H new ATOM 1194 N GLY A 76 -1.867 -10.527 8.915 1.00 0.00 N ATOM 1195 CA GLY A 76 -2.380 -11.371 7.840 1.00 0.00 C ATOM 1196 C GLY A 76 -1.239 -11.849 6.945 1.00 0.00 C ATOM 1197 O GLY A 76 -0.071 -11.781 7.328 1.00 0.00 O ATOM 0 H GLY A 76 -1.275 -11.011 9.589 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -2.903 -12.229 8.262 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -3.106 -10.814 7.248 1.00 0.00 H new ATOM 1201 N SER A 77 -1.581 -12.334 5.755 1.00 0.00 N ATOM 1202 CA SER A 77 -0.568 -12.820 4.822 1.00 0.00 C ATOM 1203 C SER A 77 0.195 -11.663 4.190 1.00 0.00 C ATOM 1204 O SER A 77 -0.264 -10.521 4.192 1.00 0.00 O ATOM 1205 CB SER A 77 -1.216 -13.658 3.721 1.00 0.00 C ATOM 1206 OG SER A 77 -0.325 -13.753 2.618 1.00 0.00 O ATOM 0 H SER A 77 -2.541 -12.401 5.416 1.00 0.00 H new ATOM 0 HA SER A 77 0.132 -13.437 5.386 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.454 -14.653 4.098 1.00 0.00 H new ATOM 0 HB3 SER A 77 -2.155 -13.203 3.407 1.00 0.00 H new ATOM 0 HG SER A 77 -0.737 -14.291 1.910 1.00 0.00 H new ATOM 1212 N ARG A 78 1.368 -11.974 3.650 1.00 0.00 N ATOM 1213 CA ARG A 78 2.202 -10.962 3.010 1.00 0.00 C ATOM 1214 C ARG A 78 1.772 -10.744 1.564 1.00 0.00 C ATOM 1215 O ARG A 78 1.355 -11.681 0.884 1.00 0.00 O ATOM 1216 CB ARG A 78 3.669 -11.396 3.031 1.00 0.00 C ATOM 1217 CG ARG A 78 4.543 -10.237 2.546 1.00 0.00 C ATOM 1218 CD ARG A 78 5.984 -10.719 2.374 1.00 0.00 C ATOM 1219 NE ARG A 78 6.486 -11.268 3.626 1.00 0.00 N ATOM 1220 CZ ARG A 78 6.539 -12.581 3.826 1.00 0.00 C ATOM 1221 NH1 ARG A 78 7.219 -13.340 3.009 1.00 0.00 N ATOM 1222 NH2 ARG A 78 5.911 -13.111 4.839 1.00 0.00 N ATOM 0 H ARG A 78 1.762 -12.915 3.642 1.00 0.00 H new ATOM 0 HA ARG A 78 2.085 -10.031 3.564 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.960 -11.689 4.040 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.812 -12.267 2.392 1.00 0.00 H new ATOM 0 HG2 ARG A 78 4.162 -9.852 1.600 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.506 -9.416 3.262 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.030 -11.477 1.592 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.616 -9.891 2.053 1.00 0.00 H new ATOM 0 HE ARG A 78 6.802 -10.635 4.361 1.00 0.00 H new ATOM 0 HH11 ARG A 78 7.710 -12.925 2.217 1.00 0.00 H new ATOM 0 HH12 ARG A 78 7.259 -14.347 3.163 1.00 0.00 H new ATOM 0 HH21 ARG A 78 5.380 -12.518 5.477 1.00 0.00 H new ATOM 0 HH22 ARG A 78 5.951 -14.118 4.993 1.00 0.00 H new ATOM 1236 N GLN A 79 1.889 -9.505 1.097 1.00 0.00 N ATOM 1237 CA GLN A 79 1.522 -9.175 -0.276 1.00 0.00 C ATOM 1238 C GLN A 79 2.555 -8.234 -0.883 1.00 0.00 C ATOM 1239 O GLN A 79 3.133 -7.400 -0.186 1.00 0.00 O ATOM 1240 CB GLN A 79 0.147 -8.505 -0.312 1.00 0.00 C ATOM 1241 CG GLN A 79 -0.922 -9.479 0.186 1.00 0.00 C ATOM 1242 CD GLN A 79 -1.451 -10.315 -0.976 1.00 0.00 C ATOM 1243 OE1 GLN A 79 -0.770 -10.375 -2.088 1.00 0.00 O flip ATOM 1244 NE2 GLN A 79 -2.516 -10.925 -0.870 1.00 0.00 N flip ATOM 0 H GLN A 79 2.233 -8.717 1.645 1.00 0.00 H new ATOM 0 HA GLN A 79 1.488 -10.098 -0.854 1.00 0.00 H new ATOM 0 HB2 GLN A 79 0.153 -7.610 0.310 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -0.085 -8.186 -1.328 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -0.503 -10.131 0.952 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -1.740 -8.928 0.650 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -3.047 -10.877 -0.000 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -2.867 -11.478 -1.652 1.00 0.00 H new ATOM 1253 N VAL A 80 2.784 -8.369 -2.185 1.00 0.00 N ATOM 1254 CA VAL A 80 3.751 -7.516 -2.866 1.00 0.00 C ATOM 1255 C VAL A 80 3.134 -6.879 -4.104 1.00 0.00 C ATOM 1256 O VAL A 80 2.707 -7.575 -5.026 1.00 0.00 O ATOM 1257 CB VAL A 80 4.972 -8.339 -3.276 1.00 0.00 C ATOM 1258 CG1 VAL A 80 6.010 -7.426 -3.933 1.00 0.00 C ATOM 1259 CG2 VAL A 80 5.583 -8.995 -2.034 1.00 0.00 C ATOM 0 H VAL A 80 2.320 -9.052 -2.784 1.00 0.00 H new ATOM 0 HA VAL A 80 4.053 -6.726 -2.178 1.00 0.00 H new ATOM 0 HB VAL A 80 4.669 -9.110 -3.985 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.880 -8.015 -4.225 1.00 0.00 H new ATOM 0 HG12 VAL A 80 5.576 -6.958 -4.817 1.00 0.00 H new ATOM 0 HG13 VAL A 80 6.315 -6.654 -3.226 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.454 -9.583 -2.324 1.00 0.00 H new ATOM 0 HG22 VAL A 80 5.885 -8.223 -1.326 1.00 0.00 H new ATOM 0 HG23 VAL A 80 4.845 -9.647 -1.567 1.00 0.00 H new ATOM 1269 N LEU A 81 3.102 -5.553 -4.123 1.00 0.00 N ATOM 1270 CA LEU A 81 2.550 -4.826 -5.258 1.00 0.00 C ATOM 1271 C LEU A 81 3.630 -3.956 -5.884 1.00 0.00 C ATOM 1272 O LEU A 81 4.290 -3.186 -5.191 1.00 0.00 O ATOM 1273 CB LEU A 81 1.390 -3.942 -4.797 1.00 0.00 C ATOM 1274 CG LEU A 81 0.527 -4.699 -3.781 1.00 0.00 C ATOM 1275 CD1 LEU A 81 -0.533 -3.753 -3.228 1.00 0.00 C ATOM 1276 CD2 LEU A 81 -0.172 -5.887 -4.449 1.00 0.00 C ATOM 0 H LEU A 81 3.450 -4.961 -3.369 1.00 0.00 H new ATOM 0 HA LEU A 81 2.186 -5.542 -5.995 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.775 -3.026 -4.349 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.784 -3.647 -5.654 1.00 0.00 H new ATOM 0 HG LEU A 81 1.168 -5.068 -2.980 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -1.152 -4.283 -2.504 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.047 -2.908 -2.740 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.159 -3.391 -4.044 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.780 -6.412 -3.713 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.810 -5.527 -5.256 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.576 -6.568 -4.854 1.00 0.00 H new ATOM 1288 N SER A 82 3.819 -4.074 -7.192 1.00 0.00 N ATOM 1289 CA SER A 82 4.837 -3.274 -7.858 1.00 0.00 C ATOM 1290 C SER A 82 4.557 -3.129 -9.340 1.00 0.00 C ATOM 1291 O SER A 82 3.714 -3.825 -9.907 1.00 0.00 O ATOM 1292 CB SER A 82 6.213 -3.906 -7.681 1.00 0.00 C ATOM 1293 OG SER A 82 7.190 -3.083 -8.306 1.00 0.00 O ATOM 0 H SER A 82 3.294 -4.701 -7.801 1.00 0.00 H new ATOM 0 HA SER A 82 4.816 -2.286 -7.398 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.440 -4.020 -6.621 1.00 0.00 H new ATOM 0 HB3 SER A 82 6.227 -4.904 -8.119 1.00 0.00 H new ATOM 0 HG SER A 82 7.113 -2.167 -7.965 1.00 0.00 H new ATOM 1299 N GLY A 83 5.298 -2.225 -9.956 1.00 0.00 N ATOM 1300 CA GLY A 83 5.164 -1.986 -11.391 1.00 0.00 C ATOM 1301 C GLY A 83 4.065 -0.971 -11.695 1.00 0.00 C ATOM 1302 O GLY A 83 3.118 -1.267 -12.421 1.00 0.00 O ATOM 0 H GLY A 83 5.997 -1.644 -9.492 1.00 0.00 H new ATOM 0 HA2 GLY A 83 6.112 -1.626 -11.790 1.00 0.00 H new ATOM 0 HA3 GLY A 83 4.942 -2.925 -11.897 1.00 0.00 H new ATOM 1306 N ILE A 84 4.216 0.225 -11.141 1.00 0.00 N ATOM 1307 CA ILE A 84 3.253 1.307 -11.347 1.00 0.00 C ATOM 1308 C ILE A 84 1.806 0.818 -11.302 1.00 0.00 C ATOM 1309 O ILE A 84 0.878 1.593 -11.533 1.00 0.00 O ATOM 1310 CB ILE A 84 3.535 2.001 -12.683 1.00 0.00 C ATOM 1311 CG1 ILE A 84 3.099 1.107 -13.849 1.00 0.00 C ATOM 1312 CG2 ILE A 84 5.035 2.277 -12.794 1.00 0.00 C ATOM 1313 CD1 ILE A 84 3.222 1.887 -15.160 1.00 0.00 C ATOM 0 H ILE A 84 5.002 0.475 -10.540 1.00 0.00 H new ATOM 0 HA ILE A 84 3.375 2.015 -10.527 1.00 0.00 H new ATOM 0 HB ILE A 84 2.976 2.936 -12.725 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.719 0.211 -13.886 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.070 0.777 -13.704 1.00 0.00 H new ATOM 0 HG21 ILE A 84 5.245 2.771 -13.743 1.00 0.00 H new ATOM 0 HG22 ILE A 84 5.348 2.921 -11.972 1.00 0.00 H new ATOM 0 HG23 ILE A 84 5.583 1.336 -12.746 1.00 0.00 H new ATOM 0 HD11 ILE A 84 2.912 1.253 -15.991 1.00 0.00 H new ATOM 0 HD12 ILE A 84 2.584 2.770 -15.119 1.00 0.00 H new ATOM 0 HD13 ILE A 84 4.258 2.195 -15.305 1.00 0.00 H new ATOM 1325 N ASP A 85 1.609 -0.456 -10.983 1.00 0.00 N ATOM 1326 CA ASP A 85 0.261 -1.008 -10.888 1.00 0.00 C ATOM 1327 C ASP A 85 -0.157 -1.067 -9.423 1.00 0.00 C ATOM 1328 O ASP A 85 -1.180 -1.653 -9.070 1.00 0.00 O ATOM 1329 CB ASP A 85 0.220 -2.411 -11.497 1.00 0.00 C ATOM 1330 CG ASP A 85 1.088 -3.360 -10.680 1.00 0.00 C ATOM 1331 OD1 ASP A 85 1.455 -2.993 -9.576 1.00 0.00 O ATOM 1332 OD2 ASP A 85 1.375 -4.440 -11.170 1.00 0.00 O ATOM 0 H ASP A 85 2.357 -1.121 -10.787 1.00 0.00 H new ATOM 0 HA ASP A 85 -0.428 -0.368 -11.439 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -0.807 -2.775 -11.522 1.00 0.00 H new ATOM 0 HB3 ASP A 85 0.573 -2.379 -12.528 1.00 0.00 H new ATOM 1337 N LEU A 86 0.669 -0.462 -8.582 1.00 0.00 N ATOM 1338 CA LEU A 86 0.437 -0.433 -7.147 1.00 0.00 C ATOM 1339 C LEU A 86 -0.961 0.076 -6.798 1.00 0.00 C ATOM 1340 O LEU A 86 -1.638 -0.496 -5.943 1.00 0.00 O ATOM 1341 CB LEU A 86 1.481 0.470 -6.487 1.00 0.00 C ATOM 1342 CG LEU A 86 2.872 -0.171 -6.595 1.00 0.00 C ATOM 1343 CD1 LEU A 86 3.449 0.049 -7.998 1.00 0.00 C ATOM 1344 CD2 LEU A 86 3.805 0.464 -5.558 1.00 0.00 C ATOM 0 H LEU A 86 1.518 0.022 -8.876 1.00 0.00 H new ATOM 0 HA LEU A 86 0.519 -1.455 -6.777 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.484 1.448 -6.968 1.00 0.00 H new ATOM 0 HB3 LEU A 86 1.225 0.630 -5.440 1.00 0.00 H new ATOM 0 HG LEU A 86 2.785 -1.242 -6.410 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.436 -0.410 -8.062 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.789 -0.404 -8.738 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.533 1.118 -8.193 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.794 0.011 -5.632 1.00 0.00 H new ATOM 0 HD22 LEU A 86 3.882 1.535 -5.745 1.00 0.00 H new ATOM 0 HD23 LEU A 86 3.404 0.298 -4.558 1.00 0.00 H new ATOM 1356 N THR A 87 -1.380 1.162 -7.441 1.00 0.00 N ATOM 1357 CA THR A 87 -2.692 1.742 -7.154 1.00 0.00 C ATOM 1358 C THR A 87 -3.828 0.820 -7.578 1.00 0.00 C ATOM 1359 O THR A 87 -4.809 0.667 -6.851 1.00 0.00 O ATOM 1360 CB THR A 87 -2.839 3.094 -7.858 1.00 0.00 C ATOM 1361 OG1 THR A 87 -2.628 2.928 -9.252 1.00 0.00 O ATOM 1362 CG2 THR A 87 -1.814 4.079 -7.294 1.00 0.00 C ATOM 0 H THR A 87 -0.841 1.653 -8.154 1.00 0.00 H new ATOM 0 HA THR A 87 -2.756 1.879 -6.075 1.00 0.00 H new ATOM 0 HB THR A 87 -3.843 3.484 -7.690 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.724 3.793 -9.703 1.00 0.00 H new ATOM 0 HG21 THR A 87 -1.919 5.041 -7.796 1.00 0.00 H new ATOM 0 HG22 THR A 87 -1.983 4.207 -6.225 1.00 0.00 H new ATOM 0 HG23 THR A 87 -0.808 3.692 -7.459 1.00 0.00 H new ATOM 1370 N ASP A 88 -3.699 0.198 -8.742 1.00 0.00 N ATOM 1371 CA ASP A 88 -4.738 -0.702 -9.207 1.00 0.00 C ATOM 1372 C ASP A 88 -4.741 -1.957 -8.347 1.00 0.00 C ATOM 1373 O ASP A 88 -5.792 -2.422 -7.901 1.00 0.00 O ATOM 1374 CB ASP A 88 -4.491 -1.068 -10.669 1.00 0.00 C ATOM 1375 CG ASP A 88 -4.684 0.159 -11.552 1.00 0.00 C ATOM 1376 OD1 ASP A 88 -5.248 1.128 -11.070 1.00 0.00 O ATOM 1377 OD2 ASP A 88 -4.268 0.111 -12.698 1.00 0.00 O ATOM 0 H ASP A 88 -2.901 0.298 -9.369 1.00 0.00 H new ATOM 0 HA ASP A 88 -5.707 -0.210 -9.128 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -3.480 -1.458 -10.789 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -5.176 -1.859 -10.976 1.00 0.00 H new ATOM 1382 N GLN A 89 -3.550 -2.484 -8.100 1.00 0.00 N ATOM 1383 CA GLN A 89 -3.409 -3.669 -7.273 1.00 0.00 C ATOM 1384 C GLN A 89 -3.775 -3.338 -5.829 1.00 0.00 C ATOM 1385 O GLN A 89 -4.547 -4.054 -5.196 1.00 0.00 O ATOM 1386 CB GLN A 89 -1.967 -4.172 -7.344 1.00 0.00 C ATOM 1387 CG GLN A 89 -1.954 -5.700 -7.386 1.00 0.00 C ATOM 1388 CD GLN A 89 -0.516 -6.203 -7.365 1.00 0.00 C ATOM 1389 OE1 GLN A 89 0.464 -5.361 -7.556 1.00 0.00 O flip ATOM 1390 NE2 GLN A 89 -0.277 -7.396 -7.176 1.00 0.00 N flip ATOM 0 H GLN A 89 -2.672 -2.110 -8.460 1.00 0.00 H new ATOM 0 HA GLN A 89 -4.079 -4.447 -7.638 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -1.475 -3.770 -8.230 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -1.405 -3.818 -6.479 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -2.502 -6.101 -6.534 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -2.460 -6.053 -8.285 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -1.043 -8.052 -7.027 1.00 0.00 H new ATOM 0 HE22 GLN A 89 0.687 -7.728 -7.168 1.00 0.00 H new ATOM 1399 N LEU A 90 -3.219 -2.240 -5.315 1.00 0.00 N ATOM 1400 CA LEU A 90 -3.499 -1.823 -3.945 1.00 0.00 C ATOM 1401 C LEU A 90 -4.998 -1.668 -3.721 1.00 0.00 C ATOM 1402 O LEU A 90 -5.540 -2.158 -2.730 1.00 0.00 O ATOM 1403 CB LEU A 90 -2.797 -0.494 -3.656 1.00 0.00 C ATOM 1404 CG LEU A 90 -3.133 -0.034 -2.238 1.00 0.00 C ATOM 1405 CD1 LEU A 90 -2.497 -0.988 -1.227 1.00 0.00 C ATOM 1406 CD2 LEU A 90 -2.587 1.378 -2.024 1.00 0.00 C ATOM 0 H LEU A 90 -2.578 -1.630 -5.823 1.00 0.00 H new ATOM 0 HA LEU A 90 -3.125 -2.591 -3.268 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.719 -0.609 -3.766 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.112 0.260 -4.378 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.214 -0.032 -2.100 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.737 -0.659 -0.216 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -2.885 -1.995 -1.383 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -1.415 -0.991 -1.360 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.824 1.711 -1.013 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.506 1.374 -2.160 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.041 2.057 -2.746 1.00 0.00 H new ATOM 1418 N ALA A 91 -5.662 -0.984 -4.645 1.00 0.00 N ATOM 1419 CA ALA A 91 -7.100 -0.769 -4.536 1.00 0.00 C ATOM 1420 C ALA A 91 -7.843 -2.100 -4.463 1.00 0.00 C ATOM 1421 O ALA A 91 -8.845 -2.223 -3.761 1.00 0.00 O ATOM 1422 CB ALA A 91 -7.599 0.030 -5.743 1.00 0.00 C ATOM 0 H ALA A 91 -5.232 -0.571 -5.473 1.00 0.00 H new ATOM 0 HA ALA A 91 -7.295 -0.210 -3.621 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.674 0.187 -5.656 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -7.092 0.995 -5.775 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.386 -0.522 -6.658 1.00 0.00 H new ATOM 1428 N ASN A 92 -7.348 -3.090 -5.197 1.00 0.00 N ATOM 1429 CA ASN A 92 -7.971 -4.406 -5.212 1.00 0.00 C ATOM 1430 C ASN A 92 -7.562 -5.223 -3.992 1.00 0.00 C ATOM 1431 O ASN A 92 -8.357 -5.991 -3.449 1.00 0.00 O ATOM 1432 CB ASN A 92 -7.554 -5.150 -6.478 1.00 0.00 C ATOM 1433 CG ASN A 92 -8.280 -4.576 -7.688 1.00 0.00 C ATOM 1434 OD1 ASN A 92 -9.529 -4.211 -7.579 1.00 0.00 O flip ATOM 1435 ND2 ASN A 92 -7.694 -4.453 -8.763 1.00 0.00 N flip ATOM 0 H ASN A 92 -6.520 -3.006 -5.787 1.00 0.00 H new ATOM 0 HA ASN A 92 -9.053 -4.273 -5.191 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -6.476 -5.068 -6.619 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -7.782 -6.211 -6.377 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -6.718 -4.738 -8.848 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -8.184 -4.066 -9.570 1.00 0.00 H new ATOM 1442 N GLN A 93 -6.312 -5.068 -3.581 1.00 0.00 N ATOM 1443 CA GLN A 93 -5.795 -5.810 -2.444 1.00 0.00 C ATOM 1444 C GLN A 93 -6.280 -5.226 -1.122 1.00 0.00 C ATOM 1445 O GLN A 93 -6.499 -5.959 -0.157 1.00 0.00 O ATOM 1446 CB GLN A 93 -4.270 -5.797 -2.478 1.00 0.00 C ATOM 1447 CG GLN A 93 -3.787 -6.569 -3.705 1.00 0.00 C ATOM 1448 CD GLN A 93 -4.252 -8.016 -3.624 1.00 0.00 C ATOM 1449 OE1 GLN A 93 -3.798 -8.769 -2.761 1.00 0.00 O ATOM 1450 NE2 GLN A 93 -5.142 -8.449 -4.471 1.00 0.00 N ATOM 0 H GLN A 93 -5.640 -4.437 -4.017 1.00 0.00 H new ATOM 0 HA GLN A 93 -6.164 -6.833 -2.515 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -3.904 -4.771 -2.512 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -3.870 -6.248 -1.570 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -4.173 -6.104 -4.613 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -2.699 -6.530 -3.765 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -5.515 -7.822 -5.184 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -5.466 -9.415 -4.421 1.00 0.00 H new ATOM 1459 N LEU A 94 -6.433 -3.909 -1.074 1.00 0.00 N ATOM 1460 CA LEU A 94 -6.878 -3.257 0.150 1.00 0.00 C ATOM 1461 C LEU A 94 -8.170 -3.892 0.675 1.00 0.00 C ATOM 1462 O LEU A 94 -8.194 -4.409 1.792 1.00 0.00 O ATOM 1463 CB LEU A 94 -7.062 -1.759 -0.093 1.00 0.00 C ATOM 1464 CG LEU A 94 -7.893 -1.153 1.039 1.00 0.00 C ATOM 1465 CD1 LEU A 94 -7.227 -1.465 2.381 1.00 0.00 C ATOM 1466 CD2 LEU A 94 -7.973 0.363 0.854 1.00 0.00 C ATOM 0 H LEU A 94 -6.258 -3.279 -1.857 1.00 0.00 H new ATOM 0 HA LEU A 94 -6.113 -3.394 0.914 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.091 -1.267 -0.148 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -7.557 -1.594 -1.050 1.00 0.00 H new ATOM 0 HG LEU A 94 -8.897 -1.577 1.022 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.818 -1.034 3.189 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.164 -2.545 2.514 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.224 -1.039 2.397 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.565 0.797 1.660 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -6.968 0.785 0.874 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.443 0.588 -0.103 1.00 0.00 H new ATOM 1478 N PRO A 95 -9.232 -3.880 -0.095 1.00 0.00 N ATOM 1479 CA PRO A 95 -10.525 -4.485 0.327 1.00 0.00 C ATOM 1480 C PRO A 95 -10.327 -5.883 0.903 1.00 0.00 C ATOM 1481 O PRO A 95 -10.892 -6.229 1.940 1.00 0.00 O ATOM 1482 CB PRO A 95 -11.355 -4.566 -0.963 1.00 0.00 C ATOM 1483 CG PRO A 95 -10.501 -4.029 -2.070 1.00 0.00 C ATOM 1484 CD PRO A 95 -9.328 -3.291 -1.431 1.00 0.00 C ATOM 0 HA PRO A 95 -11.005 -3.895 1.108 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -11.649 -5.595 -1.168 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -12.273 -3.985 -0.868 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -10.143 -4.839 -2.705 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -11.076 -3.356 -2.706 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -8.408 -3.434 -1.998 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -9.509 -2.217 -1.383 1.00 0.00 H new ATOM 1492 N GLN A 96 -9.519 -6.678 0.214 1.00 0.00 N ATOM 1493 CA GLN A 96 -9.242 -8.040 0.646 1.00 0.00 C ATOM 1494 C GLN A 96 -8.562 -8.040 2.008 1.00 0.00 C ATOM 1495 O GLN A 96 -8.782 -8.934 2.824 1.00 0.00 O ATOM 1496 CB GLN A 96 -8.340 -8.726 -0.378 1.00 0.00 C ATOM 1497 CG GLN A 96 -9.068 -8.801 -1.719 1.00 0.00 C ATOM 1498 CD GLN A 96 -8.156 -9.408 -2.779 1.00 0.00 C ATOM 1499 OE1 GLN A 96 -6.971 -9.633 -2.526 1.00 0.00 O ATOM 1500 NE2 GLN A 96 -8.636 -9.680 -3.961 1.00 0.00 N ATOM 0 H GLN A 96 -9.044 -6.403 -0.646 1.00 0.00 H new ATOM 0 HA GLN A 96 -10.185 -8.582 0.727 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -7.407 -8.172 -0.487 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -8.078 -9.727 -0.036 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -9.971 -9.403 -1.618 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -9.382 -7.804 -2.027 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -9.617 -9.493 -4.168 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -8.030 -10.080 -4.678 1.00 0.00 H new ATOM 1509 N TRP A 97 -7.734 -7.030 2.243 1.00 0.00 N ATOM 1510 CA TRP A 97 -7.027 -6.923 3.510 1.00 0.00 C ATOM 1511 C TRP A 97 -8.017 -6.690 4.647 1.00 0.00 C ATOM 1512 O TRP A 97 -7.929 -7.324 5.696 1.00 0.00 O ATOM 1513 CB TRP A 97 -6.027 -5.769 3.448 1.00 0.00 C ATOM 1514 CG TRP A 97 -5.063 -6.001 2.326 1.00 0.00 C ATOM 1515 CD1 TRP A 97 -4.994 -7.125 1.573 1.00 0.00 C ATOM 1516 CD2 TRP A 97 -4.031 -5.107 1.819 1.00 0.00 C ATOM 1517 NE1 TRP A 97 -3.986 -6.975 0.637 1.00 0.00 N ATOM 1518 CE2 TRP A 97 -3.362 -5.748 0.748 1.00 0.00 C ATOM 1519 CE3 TRP A 97 -3.615 -3.814 2.180 1.00 0.00 C ATOM 1520 CZ2 TRP A 97 -2.318 -5.129 0.064 1.00 0.00 C ATOM 1521 CZ3 TRP A 97 -2.564 -3.186 1.493 1.00 0.00 C ATOM 1522 CH2 TRP A 97 -1.917 -3.843 0.435 1.00 0.00 C ATOM 0 H TRP A 97 -7.538 -6.281 1.579 1.00 0.00 H new ATOM 0 HA TRP A 97 -6.491 -7.854 3.695 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -6.553 -4.826 3.300 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -5.489 -5.689 4.393 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -5.623 -7.996 1.685 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -3.734 -7.684 -0.051 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -4.108 -3.300 2.992 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -1.822 -5.640 -0.748 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -2.252 -2.193 1.780 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -1.110 -3.355 -0.092 1.00 0.00 H new ATOM 1533 N LEU A 98 -8.967 -5.786 4.424 1.00 0.00 N ATOM 1534 CA LEU A 98 -9.975 -5.496 5.434 1.00 0.00 C ATOM 1535 C LEU A 98 -10.885 -6.702 5.625 1.00 0.00 C ATOM 1536 O LEU A 98 -11.243 -7.057 6.748 1.00 0.00 O ATOM 1537 CB LEU A 98 -10.806 -4.290 5.002 1.00 0.00 C ATOM 1538 CG LEU A 98 -9.900 -3.066 4.868 1.00 0.00 C ATOM 1539 CD1 LEU A 98 -10.734 -1.861 4.430 1.00 0.00 C ATOM 1540 CD2 LEU A 98 -9.250 -2.768 6.221 1.00 0.00 C ATOM 0 H LEU A 98 -9.058 -5.248 3.562 1.00 0.00 H new ATOM 0 HA LEU A 98 -9.477 -5.273 6.377 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -11.299 -4.496 4.052 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -11.591 -4.096 5.733 1.00 0.00 H new ATOM 0 HG LEU A 98 -9.127 -3.263 4.125 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -10.089 -0.988 4.334 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -11.203 -2.073 3.469 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -11.505 -1.662 5.174 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -8.603 -1.896 6.130 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -10.025 -2.569 6.961 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.658 -3.627 6.537 1.00 0.00 H new