USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 848 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 70 ASN : amide:sc= 0.865 K(o=1.7,f=-2.7!) USER MOD Set 1.2: A 72 THR OG1 : rot -70:sc= 0.846 USER MOD Set 2.1: A 11 THR OG1 : rot -77:sc= 0.336 USER MOD Set 2.2: A 34 THR OG1 : rot 180:sc= 0.492 USER MOD Single : A 13 GLN : amide:sc= -0.0196 K(o=-0.02,f=-3.2!) USER MOD Single : A 14 THR OG1 : rot 180:sc= -1.07 USER MOD Single : A 16 LYS NZ :NH3+ 155:sc= -0.378 (180deg=-1.45!) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.436 USER MOD Single : A 22 THR OG1 : rot -79:sc= 0.799 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -0.402 X(o=-0.4,f=-0.051) USER MOD Single : A 38 SER OG : rot 180:sc= -0.321 USER MOD Single : A 40 ASN :FLIP amide:sc=-0.00496 F(o=-1.5!,f=-0.005) USER MOD Single : A 41 MET CE :methyl 148:sc= 0 (180deg=-1.51!) USER MOD Single : A 43 SER OG : rot 130:sc= -0.0477 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -7:sc= 0.912 USER MOD Single : A 58 THR OG1 : rot 87:sc= 1.38 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -168:sc= -0.0195 (180deg=-0.17) USER MOD Single : A 73 SER OG : rot 36:sc= 0.522 USER MOD Single : A 76 LYS NZ :NH3+ -177:sc= 0.575 (180deg=0.566) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 ASN :FLIP amide:sc= -0.868 F(o=-2.7,f=-0.87) USER MOD Single : A 92 GLN : amide:sc= -0.0036 X(o=-0.0036,f=-0.31) USER MOD Single : A 100 THR OG1 : rot -24:sc= 0.377 USER MOD Single : A 106 CYS SG : rot -116:sc= -5.96! USER MOD ----------------------------------------------------------------- ATOM 84 N LEU A 6 10.700 -15.057 7.138 1.00 0.00 N ATOM 85 CA LEU A 6 10.893 -13.888 6.275 1.00 0.00 C ATOM 86 C LEU A 6 12.085 -14.109 5.318 1.00 0.00 C ATOM 87 O LEU A 6 13.252 -13.925 5.688 1.00 0.00 O ATOM 88 CB LEU A 6 11.068 -12.598 7.130 1.00 0.00 C ATOM 89 CG LEU A 6 9.934 -12.252 8.170 1.00 0.00 C ATOM 90 CD1 LEU A 6 8.519 -12.542 7.620 1.00 0.00 C ATOM 91 CD2 LEU A 6 10.162 -12.932 9.537 1.00 0.00 C ATOM 0 HA LEU A 6 10.002 -13.755 5.661 1.00 0.00 H new ATOM 0 HB2 LEU A 6 12.009 -12.681 7.674 1.00 0.00 H new ATOM 0 HB3 LEU A 6 11.167 -11.754 6.448 1.00 0.00 H new ATOM 0 HG LEU A 6 9.996 -11.176 8.335 1.00 0.00 H new ATOM 0 HD11 LEU A 6 7.776 -12.287 8.375 1.00 0.00 H new ATOM 0 HD12 LEU A 6 8.347 -11.944 6.725 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.435 -13.600 7.372 1.00 0.00 H new ATOM 0 HD21 LEU A 6 9.354 -12.662 10.217 1.00 0.00 H new ATOM 0 HD22 LEU A 6 10.180 -14.014 9.407 1.00 0.00 H new ATOM 0 HD23 LEU A 6 11.113 -12.601 9.954 1.00 0.00 H new ATOM 103 N ARG A 7 11.751 -14.558 4.091 1.00 0.00 N ATOM 104 CA ARG A 7 12.721 -15.013 3.062 1.00 0.00 C ATOM 105 C ARG A 7 13.019 -13.922 2.013 1.00 0.00 C ATOM 106 O ARG A 7 14.158 -13.788 1.546 1.00 0.00 O ATOM 107 CB ARG A 7 12.184 -16.294 2.356 1.00 0.00 C ATOM 108 CG ARG A 7 10.699 -16.212 1.897 1.00 0.00 C ATOM 109 CD ARG A 7 10.355 -17.195 0.766 1.00 0.00 C ATOM 110 NE ARG A 7 10.851 -16.707 -0.532 1.00 0.00 N ATOM 111 CZ ARG A 7 10.930 -17.408 -1.667 1.00 0.00 C ATOM 112 NH1 ARG A 7 10.683 -18.712 -1.696 1.00 0.00 N ATOM 113 NH2 ARG A 7 11.274 -16.778 -2.779 1.00 0.00 N ATOM 0 H ARG A 7 10.782 -14.617 3.777 1.00 0.00 H new ATOM 0 HA ARG A 7 13.657 -15.236 3.574 1.00 0.00 H new ATOM 0 HB2 ARG A 7 12.808 -16.501 1.486 1.00 0.00 H new ATOM 0 HB3 ARG A 7 12.294 -17.139 3.035 1.00 0.00 H new ATOM 0 HG2 ARG A 7 10.051 -16.411 2.751 1.00 0.00 H new ATOM 0 HG3 ARG A 7 10.485 -15.197 1.564 1.00 0.00 H new ATOM 0 HD2 ARG A 7 10.792 -18.170 0.982 1.00 0.00 H new ATOM 0 HD3 ARG A 7 9.275 -17.334 0.717 1.00 0.00 H new ATOM 0 HE ARG A 7 11.166 -15.737 -0.568 1.00 0.00 H new ATOM 0 HH11 ARG A 7 10.426 -19.202 -0.839 1.00 0.00 H new ATOM 0 HH12 ARG A 7 10.750 -19.224 -2.575 1.00 0.00 H new ATOM 0 HH21 ARG A 7 11.472 -15.778 -2.758 1.00 0.00 H new ATOM 0 HH22 ARG A 7 11.341 -17.293 -3.657 1.00 0.00 H new ATOM 127 N ASP A 8 11.988 -13.150 1.656 1.00 0.00 N ATOM 128 CA ASP A 8 12.041 -12.102 0.619 1.00 0.00 C ATOM 129 C ASP A 8 12.279 -10.738 1.300 1.00 0.00 C ATOM 130 O ASP A 8 12.608 -10.684 2.490 1.00 0.00 O ATOM 131 CB ASP A 8 10.691 -12.068 -0.158 1.00 0.00 C ATOM 132 CG ASP A 8 10.337 -13.395 -0.849 1.00 0.00 C ATOM 133 OD1 ASP A 8 11.139 -13.875 -1.687 1.00 0.00 O ATOM 134 OD2 ASP A 8 9.269 -13.978 -0.552 1.00 0.00 O ATOM 0 H ASP A 8 11.068 -13.235 2.088 1.00 0.00 H new ATOM 0 HA ASP A 8 12.851 -12.313 -0.080 1.00 0.00 H new ATOM 0 HB2 ASP A 8 9.891 -11.805 0.534 1.00 0.00 H new ATOM 0 HB3 ASP A 8 10.735 -11.279 -0.909 1.00 0.00 H new ATOM 139 N ARG A 9 12.099 -9.640 0.535 1.00 0.00 N ATOM 140 CA ARG A 9 12.115 -8.255 1.063 1.00 0.00 C ATOM 141 C ARG A 9 11.182 -7.357 0.239 1.00 0.00 C ATOM 142 O ARG A 9 11.056 -7.524 -0.981 1.00 0.00 O ATOM 143 CB ARG A 9 13.539 -7.624 1.076 1.00 0.00 C ATOM 144 CG ARG A 9 14.473 -8.135 2.193 1.00 0.00 C ATOM 145 CD ARG A 9 15.819 -7.399 2.222 1.00 0.00 C ATOM 146 NE ARG A 9 16.569 -7.583 0.962 1.00 0.00 N ATOM 147 CZ ARG A 9 17.175 -6.612 0.268 1.00 0.00 C ATOM 148 NH1 ARG A 9 17.160 -5.353 0.690 1.00 0.00 N ATOM 149 NH2 ARG A 9 17.811 -6.911 -0.849 1.00 0.00 N ATOM 0 H ARG A 9 11.938 -9.688 -0.471 1.00 0.00 H new ATOM 0 HA ARG A 9 11.770 -8.320 2.095 1.00 0.00 H new ATOM 0 HB2 ARG A 9 14.012 -7.815 0.113 1.00 0.00 H new ATOM 0 HB3 ARG A 9 13.439 -6.543 1.174 1.00 0.00 H new ATOM 0 HG2 ARG A 9 13.978 -8.017 3.157 1.00 0.00 H new ATOM 0 HG3 ARG A 9 14.650 -9.202 2.054 1.00 0.00 H new ATOM 0 HD2 ARG A 9 15.649 -6.336 2.393 1.00 0.00 H new ATOM 0 HD3 ARG A 9 16.416 -7.764 3.058 1.00 0.00 H new ATOM 0 HE ARG A 9 16.630 -8.531 0.589 1.00 0.00 H new ATOM 0 HH11 ARG A 9 16.681 -5.112 1.557 1.00 0.00 H new ATOM 0 HH12 ARG A 9 17.628 -4.627 0.147 1.00 0.00 H new ATOM 0 HH21 ARG A 9 17.838 -7.876 -1.178 1.00 0.00 H new ATOM 0 HH22 ARG A 9 18.275 -6.177 -1.384 1.00 0.00 H new ATOM 163 N ILE A 10 10.559 -6.378 0.920 1.00 0.00 N ATOM 164 CA ILE A 10 9.704 -5.349 0.287 1.00 0.00 C ATOM 165 C ILE A 10 10.167 -3.971 0.740 1.00 0.00 C ATOM 166 O ILE A 10 10.693 -3.832 1.849 1.00 0.00 O ATOM 167 CB ILE A 10 8.159 -5.504 0.624 1.00 0.00 C ATOM 168 CG1 ILE A 10 7.755 -4.956 2.048 1.00 0.00 C ATOM 169 CG2 ILE A 10 7.700 -6.962 0.459 1.00 0.00 C ATOM 170 CD1 ILE A 10 8.394 -5.640 3.233 1.00 0.00 C ATOM 0 H ILE A 10 10.633 -6.275 1.932 1.00 0.00 H new ATOM 0 HA ILE A 10 9.808 -5.478 -0.790 1.00 0.00 H new ATOM 0 HB ILE A 10 7.639 -4.878 -0.101 1.00 0.00 H new ATOM 0 HG12 ILE A 10 8.004 -3.896 2.090 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.673 -5.034 2.150 1.00 0.00 H new ATOM 0 HG21 ILE A 10 6.639 -7.038 0.696 1.00 0.00 H new ATOM 0 HG22 ILE A 10 7.866 -7.281 -0.570 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.269 -7.601 1.134 1.00 0.00 H new ATOM 0 HD11 ILE A 10 8.040 -5.177 4.154 1.00 0.00 H new ATOM 0 HD12 ILE A 10 8.126 -6.697 3.231 1.00 0.00 H new ATOM 0 HD13 ILE A 10 9.478 -5.540 3.170 1.00 0.00 H new ATOM 182 N THR A 11 9.961 -2.969 -0.103 1.00 0.00 N ATOM 183 CA THR A 11 10.157 -1.575 0.263 1.00 0.00 C ATOM 184 C THR A 11 8.787 -0.920 0.527 1.00 0.00 C ATOM 185 O THR A 11 7.892 -0.950 -0.335 1.00 0.00 O ATOM 186 CB THR A 11 10.920 -0.803 -0.847 1.00 0.00 C ATOM 187 OG1 THR A 11 12.000 -1.618 -1.339 1.00 0.00 O ATOM 188 CG2 THR A 11 11.491 0.515 -0.303 1.00 0.00 C ATOM 0 H THR A 11 9.651 -3.102 -1.066 1.00 0.00 H new ATOM 0 HA THR A 11 10.763 -1.534 1.168 1.00 0.00 H new ATOM 0 HB THR A 11 10.222 -0.576 -1.653 1.00 0.00 H new ATOM 0 HG1 THR A 11 12.742 -1.599 -0.699 1.00 0.00 H new ATOM 0 HG21 THR A 11 12.021 1.038 -1.099 1.00 0.00 H new ATOM 0 HG22 THR A 11 10.677 1.141 0.063 1.00 0.00 H new ATOM 0 HG23 THR A 11 12.181 0.303 0.514 1.00 0.00 H new ATOM 196 N ILE A 12 8.636 -0.372 1.736 1.00 0.00 N ATOM 197 CA ILE A 12 7.411 0.309 2.169 1.00 0.00 C ATOM 198 C ILE A 12 7.306 1.680 1.480 1.00 0.00 C ATOM 199 O ILE A 12 8.167 2.547 1.678 1.00 0.00 O ATOM 200 CB ILE A 12 7.387 0.499 3.740 1.00 0.00 C ATOM 201 CG1 ILE A 12 7.566 -0.869 4.472 1.00 0.00 C ATOM 202 CG2 ILE A 12 6.098 1.226 4.224 1.00 0.00 C ATOM 203 CD1 ILE A 12 6.494 -1.909 4.195 1.00 0.00 C ATOM 0 H ILE A 12 9.366 -0.388 2.448 1.00 0.00 H new ATOM 0 HA ILE A 12 6.560 -0.311 1.887 1.00 0.00 H new ATOM 0 HB ILE A 12 8.231 1.139 3.998 1.00 0.00 H new ATOM 0 HG12 ILE A 12 8.533 -1.287 4.191 1.00 0.00 H new ATOM 0 HG13 ILE A 12 7.598 -0.684 5.546 1.00 0.00 H new ATOM 0 HG21 ILE A 12 6.126 1.334 5.308 1.00 0.00 H new ATOM 0 HG22 ILE A 12 6.041 2.212 3.763 1.00 0.00 H new ATOM 0 HG23 ILE A 12 5.223 0.642 3.940 1.00 0.00 H new ATOM 0 HD11 ILE A 12 6.717 -2.818 4.753 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.523 -1.522 4.504 1.00 0.00 H new ATOM 0 HD13 ILE A 12 6.472 -2.134 3.129 1.00 0.00 H new ATOM 215 N GLN A 13 6.262 1.860 0.661 1.00 0.00 N ATOM 216 CA GLN A 13 5.922 3.168 0.097 1.00 0.00 C ATOM 217 C GLN A 13 5.094 3.928 1.141 1.00 0.00 C ATOM 218 O GLN A 13 3.908 3.645 1.349 1.00 0.00 O ATOM 219 CB GLN A 13 5.144 3.064 -1.240 1.00 0.00 C ATOM 220 CG GLN A 13 5.961 2.551 -2.439 1.00 0.00 C ATOM 221 CD GLN A 13 5.210 2.698 -3.769 1.00 0.00 C ATOM 222 OE1 GLN A 13 3.982 2.638 -3.819 1.00 0.00 O ATOM 223 NE2 GLN A 13 5.939 2.928 -4.847 1.00 0.00 N ATOM 0 H GLN A 13 5.635 1.108 0.374 1.00 0.00 H new ATOM 0 HA GLN A 13 6.846 3.698 -0.135 1.00 0.00 H new ATOM 0 HB2 GLN A 13 4.290 2.402 -1.094 1.00 0.00 H new ATOM 0 HB3 GLN A 13 4.746 4.048 -1.487 1.00 0.00 H new ATOM 0 HG2 GLN A 13 6.902 3.099 -2.494 1.00 0.00 H new ATOM 0 HG3 GLN A 13 6.212 1.502 -2.281 1.00 0.00 H new ATOM 0 HE21 GLN A 13 6.956 2.972 -4.775 1.00 0.00 H new ATOM 0 HE22 GLN A 13 5.485 3.061 -5.751 1.00 0.00 H new ATOM 232 N THR A 14 5.780 4.820 1.844 1.00 0.00 N ATOM 233 CA THR A 14 5.174 5.744 2.799 1.00 0.00 C ATOM 234 C THR A 14 4.608 6.956 2.034 1.00 0.00 C ATOM 235 O THR A 14 5.211 7.413 1.064 1.00 0.00 O ATOM 236 CB THR A 14 6.222 6.166 3.884 1.00 0.00 C ATOM 237 OG1 THR A 14 7.515 6.347 3.276 1.00 0.00 O ATOM 238 CG2 THR A 14 6.337 5.121 5.014 1.00 0.00 C ATOM 0 H THR A 14 6.792 4.925 1.766 1.00 0.00 H new ATOM 0 HA THR A 14 4.352 5.258 3.324 1.00 0.00 H new ATOM 0 HB THR A 14 5.876 7.103 4.321 1.00 0.00 H new ATOM 0 HG1 THR A 14 8.164 6.612 3.961 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.075 5.454 5.744 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.369 5.005 5.503 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.648 4.164 4.595 1.00 0.00 H new ATOM 246 N LEU A 15 3.437 7.455 2.461 1.00 0.00 N ATOM 247 CA LEU A 15 2.694 8.510 1.749 1.00 0.00 C ATOM 248 C LEU A 15 2.743 9.804 2.564 1.00 0.00 C ATOM 249 O LEU A 15 2.219 9.859 3.679 1.00 0.00 O ATOM 250 CB LEU A 15 1.219 8.068 1.542 1.00 0.00 C ATOM 251 CG LEU A 15 0.265 9.095 0.846 1.00 0.00 C ATOM 252 CD1 LEU A 15 0.801 9.508 -0.539 1.00 0.00 C ATOM 253 CD2 LEU A 15 -1.171 8.535 0.748 1.00 0.00 C ATOM 0 H LEU A 15 2.976 7.137 3.314 1.00 0.00 H new ATOM 0 HA LEU A 15 3.150 8.681 0.774 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.219 7.151 0.953 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.799 7.821 2.517 1.00 0.00 H new ATOM 0 HG LEU A 15 0.232 9.992 1.464 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.116 10.222 -0.996 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.783 9.968 -0.427 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.884 8.626 -1.175 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.815 9.267 0.261 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.163 7.614 0.165 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.550 8.328 1.749 1.00 0.00 H new ATOM 265 N LYS A 16 3.414 10.826 2.027 1.00 0.00 N ATOM 266 CA LYS A 16 3.440 12.162 2.631 1.00 0.00 C ATOM 267 C LYS A 16 2.489 13.104 1.877 1.00 0.00 C ATOM 268 O LYS A 16 2.690 13.395 0.687 1.00 0.00 O ATOM 269 CB LYS A 16 4.881 12.725 2.656 1.00 0.00 C ATOM 270 CG LYS A 16 5.020 14.121 3.317 1.00 0.00 C ATOM 271 CD LYS A 16 6.497 14.547 3.562 1.00 0.00 C ATOM 272 CE LYS A 16 7.127 13.936 4.845 1.00 0.00 C ATOM 273 NZ LYS A 16 7.220 12.453 4.817 1.00 0.00 N ATOM 0 H LYS A 16 3.953 10.752 1.164 1.00 0.00 H new ATOM 0 HA LYS A 16 3.097 12.085 3.663 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.522 12.021 3.187 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.251 12.784 1.633 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.536 14.864 2.683 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.488 14.118 4.268 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.097 14.254 2.700 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.545 15.634 3.628 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.125 14.351 4.982 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.535 14.238 5.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 7.987 12.141 5.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.320 12.043 5.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.419 12.136 3.847 1.00 0.00 H new ATOM 287 N GLN A 17 1.436 13.538 2.586 1.00 0.00 N ATOM 288 CA GLN A 17 0.531 14.592 2.135 1.00 0.00 C ATOM 289 C GLN A 17 1.261 15.937 2.308 1.00 0.00 C ATOM 290 O GLN A 17 1.242 16.531 3.391 1.00 0.00 O ATOM 291 CB GLN A 17 -0.795 14.555 2.957 1.00 0.00 C ATOM 292 CG GLN A 17 -1.520 13.195 2.949 1.00 0.00 C ATOM 293 CD GLN A 17 -2.891 13.246 3.624 1.00 0.00 C ATOM 294 OE1 GLN A 17 -3.007 13.041 4.825 1.00 0.00 O ATOM 295 NE2 GLN A 17 -3.935 13.506 2.854 1.00 0.00 N ATOM 0 H GLN A 17 1.191 13.158 3.500 1.00 0.00 H new ATOM 0 HA GLN A 17 0.262 14.451 1.088 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -0.574 14.828 3.989 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -1.471 15.314 2.564 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -1.640 12.860 1.919 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -0.899 12.455 3.455 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -3.804 13.672 1.856 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.871 13.540 3.258 1.00 0.00 H new ATOM 304 N THR A 18 1.977 16.359 1.261 1.00 0.00 N ATOM 305 CA THR A 18 2.825 17.550 1.298 1.00 0.00 C ATOM 306 C THR A 18 2.022 18.770 0.838 1.00 0.00 C ATOM 307 O THR A 18 1.671 18.868 -0.335 1.00 0.00 O ATOM 308 CB THR A 18 4.083 17.360 0.384 1.00 0.00 C ATOM 309 OG1 THR A 18 4.733 16.115 0.707 1.00 0.00 O ATOM 310 CG2 THR A 18 5.079 18.535 0.535 1.00 0.00 C ATOM 0 H THR A 18 1.983 15.880 0.360 1.00 0.00 H new ATOM 0 HA THR A 18 3.164 17.706 2.322 1.00 0.00 H new ATOM 0 HB THR A 18 3.749 17.341 -0.653 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.519 15.998 0.133 1.00 0.00 H new ATOM 0 HG21 THR A 18 5.939 18.369 -0.114 1.00 0.00 H new ATOM 0 HG22 THR A 18 4.588 19.467 0.255 1.00 0.00 H new ATOM 0 HG23 THR A 18 5.413 18.598 1.571 1.00 0.00 H new ATOM 318 N ARG A 19 1.719 19.685 1.765 1.00 0.00 N ATOM 319 CA ARG A 19 0.953 20.901 1.455 1.00 0.00 C ATOM 320 C ARG A 19 1.806 21.888 0.618 1.00 0.00 C ATOM 321 O ARG A 19 3.043 21.812 0.622 1.00 0.00 O ATOM 322 CB ARG A 19 0.435 21.530 2.775 1.00 0.00 C ATOM 323 CG ARG A 19 -0.559 22.704 2.591 1.00 0.00 C ATOM 324 CD ARG A 19 -1.299 23.080 3.884 1.00 0.00 C ATOM 325 NE ARG A 19 -0.390 23.454 4.987 1.00 0.00 N ATOM 326 CZ ARG A 19 -0.783 23.768 6.234 1.00 0.00 C ATOM 327 NH1 ARG A 19 -2.076 23.786 6.566 1.00 0.00 N ATOM 328 NH2 ARG A 19 0.127 24.065 7.151 1.00 0.00 N ATOM 0 H ARG A 19 1.994 19.607 2.744 1.00 0.00 H new ATOM 0 HA ARG A 19 0.087 20.648 0.843 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -0.049 20.752 3.366 1.00 0.00 H new ATOM 0 HB3 ARG A 19 1.290 21.883 3.352 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -0.017 23.576 2.224 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.289 22.437 1.827 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -1.974 23.911 3.680 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -1.916 22.239 4.200 1.00 0.00 H new ATOM 0 HE ARG A 19 0.610 23.476 4.788 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -2.785 23.559 5.869 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -2.355 24.027 7.517 1.00 0.00 H new ATOM 0 HH21 ARG A 19 1.118 24.054 6.909 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.164 24.304 8.099 1.00 0.00 H new ATOM 342 N ASP A 20 1.140 22.801 -0.097 1.00 0.00 N ATOM 343 CA ASP A 20 1.798 23.758 -1.010 1.00 0.00 C ATOM 344 C ASP A 20 1.669 25.185 -0.447 1.00 0.00 C ATOM 345 O ASP A 20 0.832 25.434 0.430 1.00 0.00 O ATOM 346 CB ASP A 20 1.155 23.669 -2.419 1.00 0.00 C ATOM 347 CG ASP A 20 1.861 24.546 -3.468 1.00 0.00 C ATOM 348 OD1 ASP A 20 3.083 24.383 -3.656 1.00 0.00 O ATOM 349 OD2 ASP A 20 1.213 25.414 -4.075 1.00 0.00 O ATOM 0 H ASP A 20 0.126 22.902 -0.063 1.00 0.00 H new ATOM 0 HA ASP A 20 2.856 23.509 -1.095 1.00 0.00 H new ATOM 0 HB2 ASP A 20 1.171 22.632 -2.753 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.108 23.966 -2.352 1.00 0.00 H new ATOM 354 N ILE A 21 2.483 26.118 -0.982 1.00 0.00 N ATOM 355 CA ILE A 21 2.471 27.561 -0.634 1.00 0.00 C ATOM 356 C ILE A 21 1.114 28.257 -0.967 1.00 0.00 C ATOM 357 O ILE A 21 0.845 29.370 -0.496 1.00 0.00 O ATOM 358 CB ILE A 21 3.669 28.280 -1.375 1.00 0.00 C ATOM 359 CG1 ILE A 21 3.879 29.747 -0.863 1.00 0.00 C ATOM 360 CG2 ILE A 21 3.478 28.222 -2.919 1.00 0.00 C ATOM 361 CD1 ILE A 21 5.065 30.476 -1.469 1.00 0.00 C ATOM 0 H ILE A 21 3.185 25.887 -1.685 1.00 0.00 H new ATOM 0 HA ILE A 21 2.593 27.645 0.446 1.00 0.00 H new ATOM 0 HB ILE A 21 4.583 27.737 -1.134 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.975 30.320 -1.070 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.001 29.724 0.220 1.00 0.00 H new ATOM 0 HG21 ILE A 21 4.314 28.723 -3.408 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.439 27.182 -3.242 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.547 28.721 -3.190 1.00 0.00 H new ATOM 0 HD11 ILE A 21 5.126 31.481 -1.052 1.00 0.00 H new ATOM 0 HD12 ILE A 21 5.982 29.932 -1.241 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.940 30.538 -2.550 1.00 0.00 H new ATOM 373 N THR A 22 0.230 27.568 -1.718 1.00 0.00 N ATOM 374 CA THR A 22 -1.110 28.080 -2.079 1.00 0.00 C ATOM 375 C THR A 22 -2.155 27.339 -1.202 1.00 0.00 C ATOM 376 O THR A 22 -3.261 27.825 -0.963 1.00 0.00 O ATOM 377 CB THR A 22 -1.425 27.832 -3.593 1.00 0.00 C ATOM 378 OG1 THR A 22 -1.487 26.419 -3.857 1.00 0.00 O ATOM 379 CG2 THR A 22 -0.373 28.474 -4.515 1.00 0.00 C ATOM 0 H THR A 22 0.425 26.639 -2.092 1.00 0.00 H new ATOM 0 HA THR A 22 -1.145 29.156 -1.906 1.00 0.00 H new ATOM 0 HB THR A 22 -2.388 28.297 -3.804 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.578 26.061 -3.936 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.632 28.277 -5.555 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.349 29.550 -4.345 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.608 28.050 -4.298 1.00 0.00 H new ATOM 387 N GLY A 23 -1.747 26.139 -0.745 1.00 0.00 N ATOM 388 CA GLY A 23 -2.530 25.308 0.170 1.00 0.00 C ATOM 389 C GLY A 23 -3.216 24.155 -0.523 1.00 0.00 C ATOM 390 O GLY A 23 -4.393 23.877 -0.268 1.00 0.00 O ATOM 0 H GLY A 23 -0.854 25.721 -1.008 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.875 24.919 0.950 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.280 25.927 0.663 1.00 0.00 H new ATOM 394 N GLU A 24 -2.479 23.465 -1.404 1.00 0.00 N ATOM 395 CA GLU A 24 -2.950 22.248 -2.085 1.00 0.00 C ATOM 396 C GLU A 24 -2.231 21.042 -1.465 1.00 0.00 C ATOM 397 O GLU A 24 -1.102 21.182 -0.979 1.00 0.00 O ATOM 398 CB GLU A 24 -2.648 22.347 -3.601 1.00 0.00 C ATOM 399 CG GLU A 24 -3.341 23.530 -4.296 1.00 0.00 C ATOM 400 CD GLU A 24 -2.906 23.695 -5.758 1.00 0.00 C ATOM 401 OE1 GLU A 24 -3.518 23.066 -6.646 1.00 0.00 O ATOM 402 OE2 GLU A 24 -1.933 24.430 -6.019 1.00 0.00 O ATOM 0 H GLU A 24 -1.532 23.737 -1.667 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.027 22.133 -1.962 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -1.571 22.435 -3.742 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.958 21.421 -4.085 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.421 23.387 -4.256 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -3.120 24.447 -3.750 1.00 0.00 H new ATOM 409 N ILE A 25 -2.886 19.872 -1.453 1.00 0.00 N ATOM 410 CA ILE A 25 -2.345 18.658 -0.816 1.00 0.00 C ATOM 411 C ILE A 25 -1.712 17.736 -1.885 1.00 0.00 C ATOM 412 O ILE A 25 -2.422 17.041 -2.628 1.00 0.00 O ATOM 413 CB ILE A 25 -3.466 17.898 -0.006 1.00 0.00 C ATOM 414 CG1 ILE A 25 -4.210 18.874 0.970 1.00 0.00 C ATOM 415 CG2 ILE A 25 -2.884 16.687 0.765 1.00 0.00 C ATOM 416 CD1 ILE A 25 -3.325 19.602 1.979 1.00 0.00 C ATOM 0 H ILE A 25 -3.802 19.739 -1.882 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.570 18.952 -0.109 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.191 17.516 -0.725 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.740 19.618 0.376 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -4.963 18.307 1.517 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -3.683 16.186 1.312 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.434 15.989 0.059 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.125 17.033 1.467 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.941 20.250 2.603 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.814 18.873 2.607 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.588 20.204 1.448 1.00 0.00 H new ATOM 428 N LEU A 26 -0.375 17.765 -1.969 1.00 0.00 N ATOM 429 CA LEU A 26 0.407 16.949 -2.908 1.00 0.00 C ATOM 430 C LEU A 26 0.798 15.637 -2.221 1.00 0.00 C ATOM 431 O LEU A 26 1.836 15.546 -1.551 1.00 0.00 O ATOM 432 CB LEU A 26 1.682 17.700 -3.420 1.00 0.00 C ATOM 433 CG LEU A 26 1.452 18.958 -4.319 1.00 0.00 C ATOM 434 CD1 LEU A 26 0.542 18.641 -5.523 1.00 0.00 C ATOM 435 CD2 LEU A 26 0.936 20.165 -3.506 1.00 0.00 C ATOM 0 H LEU A 26 0.202 18.364 -1.378 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.211 16.744 -3.782 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.266 18.006 -2.552 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.291 16.990 -3.980 1.00 0.00 H new ATOM 0 HG LEU A 26 2.424 19.244 -4.720 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.406 19.541 -6.123 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.003 17.864 -6.133 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.427 18.294 -5.165 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.790 21.016 -4.171 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.012 19.907 -3.034 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.665 20.425 -2.738 1.00 0.00 H new ATOM 447 N GLU A 27 -0.059 14.629 -2.380 1.00 0.00 N ATOM 448 CA GLU A 27 0.163 13.300 -1.825 1.00 0.00 C ATOM 449 C GLU A 27 1.145 12.552 -2.728 1.00 0.00 C ATOM 450 O GLU A 27 0.895 12.382 -3.921 1.00 0.00 O ATOM 451 CB GLU A 27 -1.176 12.547 -1.701 1.00 0.00 C ATOM 452 CG GLU A 27 -2.169 13.252 -0.767 1.00 0.00 C ATOM 453 CD GLU A 27 -3.461 12.463 -0.532 1.00 0.00 C ATOM 454 OE1 GLU A 27 -3.495 11.626 0.392 1.00 0.00 O ATOM 455 OE2 GLU A 27 -4.452 12.677 -1.254 1.00 0.00 O ATOM 0 H GLU A 27 -0.931 14.715 -2.901 1.00 0.00 H new ATOM 0 HA GLU A 27 0.589 13.374 -0.824 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.623 12.445 -2.690 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.988 11.539 -1.331 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.685 13.434 0.193 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.420 14.226 -1.187 1.00 0.00 H new ATOM 462 N THR A 28 2.267 12.140 -2.140 1.00 0.00 N ATOM 463 CA THR A 28 3.434 11.599 -2.854 1.00 0.00 C ATOM 464 C THR A 28 3.993 10.381 -2.094 1.00 0.00 C ATOM 465 O THR A 28 4.039 10.377 -0.855 1.00 0.00 O ATOM 466 CB THR A 28 4.536 12.712 -3.021 1.00 0.00 C ATOM 467 OG1 THR A 28 4.565 13.550 -1.849 1.00 0.00 O ATOM 468 CG2 THR A 28 4.310 13.588 -4.270 1.00 0.00 C ATOM 0 H THR A 28 2.398 12.172 -1.129 1.00 0.00 H new ATOM 0 HA THR A 28 3.127 11.276 -3.849 1.00 0.00 H new ATOM 0 HB THR A 28 5.490 12.200 -3.147 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.253 14.240 -1.957 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.098 14.338 -4.336 1.00 0.00 H new ATOM 0 HG22 THR A 28 4.329 12.962 -5.162 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.342 14.084 -4.196 1.00 0.00 H new ATOM 476 N TRP A 29 4.437 9.361 -2.848 1.00 0.00 N ATOM 477 CA TRP A 29 4.875 8.067 -2.307 1.00 0.00 C ATOM 478 C TRP A 29 6.410 8.028 -2.279 1.00 0.00 C ATOM 479 O TRP A 29 7.066 7.883 -3.315 1.00 0.00 O ATOM 480 CB TRP A 29 4.287 6.894 -3.147 1.00 0.00 C ATOM 481 CG TRP A 29 2.782 6.814 -3.065 1.00 0.00 C ATOM 482 CD1 TRP A 29 1.878 7.403 -3.900 1.00 0.00 C ATOM 483 CD2 TRP A 29 2.015 6.136 -2.063 1.00 0.00 C ATOM 484 NE1 TRP A 29 0.603 7.124 -3.485 1.00 0.00 N ATOM 485 CE2 TRP A 29 0.659 6.351 -2.359 1.00 0.00 C ATOM 486 CE3 TRP A 29 2.345 5.365 -0.949 1.00 0.00 C ATOM 487 CZ2 TRP A 29 -0.367 5.820 -1.582 1.00 0.00 C ATOM 488 CZ3 TRP A 29 1.329 4.841 -0.173 1.00 0.00 C ATOM 489 CH2 TRP A 29 -0.016 5.068 -0.496 1.00 0.00 C ATOM 0 H TRP A 29 4.502 9.415 -3.865 1.00 0.00 H new ATOM 0 HA TRP A 29 4.504 7.950 -1.289 1.00 0.00 H new ATOM 0 HB2 TRP A 29 4.584 7.015 -4.189 1.00 0.00 H new ATOM 0 HB3 TRP A 29 4.716 5.954 -2.800 1.00 0.00 H new ATOM 0 HD1 TRP A 29 2.131 8.002 -4.762 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -0.251 7.442 -3.943 1.00 0.00 H new ATOM 0 HE3 TRP A 29 3.379 5.180 -0.697 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -1.404 5.996 -1.829 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.575 4.248 0.695 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -0.789 4.641 0.125 1.00 0.00 H new ATOM 500 N GLU A 30 6.957 8.203 -1.076 1.00 0.00 N ATOM 501 CA GLU A 30 8.400 8.159 -0.824 1.00 0.00 C ATOM 502 C GLU A 30 8.819 6.709 -0.528 1.00 0.00 C ATOM 503 O GLU A 30 8.238 6.040 0.343 1.00 0.00 O ATOM 504 CB GLU A 30 8.795 9.141 0.314 1.00 0.00 C ATOM 505 CG GLU A 30 7.911 9.083 1.577 1.00 0.00 C ATOM 506 CD GLU A 30 8.222 10.194 2.588 1.00 0.00 C ATOM 507 OE1 GLU A 30 8.037 11.379 2.240 1.00 0.00 O ATOM 508 OE2 GLU A 30 8.645 9.902 3.728 1.00 0.00 O ATOM 0 H GLU A 30 6.404 8.382 -0.237 1.00 0.00 H new ATOM 0 HA GLU A 30 8.940 8.490 -1.711 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.826 8.938 0.604 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.769 10.157 -0.081 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.864 9.152 1.282 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.043 8.115 2.060 1.00 0.00 H new ATOM 515 N ASP A 31 9.809 6.244 -1.302 1.00 0.00 N ATOM 516 CA ASP A 31 10.352 4.885 -1.235 1.00 0.00 C ATOM 517 C ASP A 31 11.128 4.737 0.084 1.00 0.00 C ATOM 518 O ASP A 31 12.181 5.361 0.260 1.00 0.00 O ATOM 519 CB ASP A 31 11.266 4.656 -2.469 1.00 0.00 C ATOM 520 CG ASP A 31 11.722 3.206 -2.642 1.00 0.00 C ATOM 521 OD1 ASP A 31 10.905 2.370 -3.077 1.00 0.00 O ATOM 522 OD2 ASP A 31 12.900 2.889 -2.359 1.00 0.00 O ATOM 0 H ASP A 31 10.265 6.820 -2.010 1.00 0.00 H new ATOM 0 HA ASP A 31 9.560 4.136 -1.254 1.00 0.00 H new ATOM 0 HB2 ASP A 31 10.733 4.968 -3.367 1.00 0.00 H new ATOM 0 HB3 ASP A 31 12.145 5.295 -2.382 1.00 0.00 H new ATOM 527 N GLY A 32 10.621 3.888 0.990 1.00 0.00 N ATOM 528 CA GLY A 32 10.934 3.982 2.422 1.00 0.00 C ATOM 529 C GLY A 32 12.026 3.020 2.864 1.00 0.00 C ATOM 530 O GLY A 32 13.193 3.219 2.524 1.00 0.00 O ATOM 0 H GLY A 32 9.988 3.124 0.753 1.00 0.00 H new ATOM 0 HA2 GLY A 32 11.242 5.002 2.653 1.00 0.00 H new ATOM 0 HA3 GLY A 32 10.030 3.784 2.998 1.00 0.00 H new ATOM 534 N HIS A 33 11.647 1.986 3.638 1.00 0.00 N ATOM 535 CA HIS A 33 12.592 0.994 4.189 1.00 0.00 C ATOM 536 C HIS A 33 12.281 -0.399 3.633 1.00 0.00 C ATOM 537 O HIS A 33 11.110 -0.787 3.531 1.00 0.00 O ATOM 538 CB HIS A 33 12.528 0.993 5.741 1.00 0.00 C ATOM 539 CG HIS A 33 13.337 -0.094 6.410 1.00 0.00 C ATOM 540 ND1 HIS A 33 12.764 -1.101 7.160 1.00 0.00 N ATOM 541 CD2 HIS A 33 14.675 -0.317 6.454 1.00 0.00 C ATOM 542 CE1 HIS A 33 13.710 -1.899 7.621 1.00 0.00 C ATOM 543 NE2 HIS A 33 14.876 -1.445 7.205 1.00 0.00 N ATOM 0 H HIS A 33 10.676 1.814 3.900 1.00 0.00 H new ATOM 0 HA HIS A 33 13.604 1.267 3.888 1.00 0.00 H new ATOM 0 HB2 HIS A 33 12.875 1.960 6.105 1.00 0.00 H new ATOM 0 HB3 HIS A 33 11.487 0.892 6.047 1.00 0.00 H new ATOM 0 HD2 HIS A 33 15.440 0.284 5.984 1.00 0.00 H new ATOM 0 HE1 HIS A 33 13.555 -2.774 8.234 1.00 0.00 H new ATOM 0 HE2 HIS A 33 15.782 -1.866 7.410 1.00 0.00 H new ATOM 552 N THR A 34 13.342 -1.142 3.300 1.00 0.00 N ATOM 553 CA THR A 34 13.254 -2.479 2.721 1.00 0.00 C ATOM 554 C THR A 34 13.523 -3.535 3.808 1.00 0.00 C ATOM 555 O THR A 34 14.682 -3.789 4.149 1.00 0.00 O ATOM 556 CB THR A 34 14.280 -2.629 1.545 1.00 0.00 C ATOM 557 OG1 THR A 34 14.180 -1.487 0.682 1.00 0.00 O ATOM 558 CG2 THR A 34 14.033 -3.907 0.722 1.00 0.00 C ATOM 0 H THR A 34 14.302 -0.821 3.429 1.00 0.00 H new ATOM 0 HA THR A 34 12.251 -2.630 2.323 1.00 0.00 H new ATOM 0 HB THR A 34 15.277 -2.699 1.980 1.00 0.00 H new ATOM 0 HG1 THR A 34 14.821 -1.576 -0.054 1.00 0.00 H new ATOM 0 HG21 THR A 34 14.767 -3.970 -0.082 1.00 0.00 H new ATOM 0 HG22 THR A 34 14.127 -4.780 1.368 1.00 0.00 H new ATOM 0 HG23 THR A 34 13.030 -3.877 0.296 1.00 0.00 H new ATOM 566 N LEU A 35 12.452 -4.120 4.379 1.00 0.00 N ATOM 567 CA LEU A 35 12.576 -5.115 5.473 1.00 0.00 C ATOM 568 C LEU A 35 12.276 -6.535 4.991 1.00 0.00 C ATOM 569 O LEU A 35 11.690 -6.735 3.921 1.00 0.00 O ATOM 570 CB LEU A 35 11.651 -4.793 6.680 1.00 0.00 C ATOM 571 CG LEU A 35 10.109 -4.769 6.423 1.00 0.00 C ATOM 572 CD1 LEU A 35 9.328 -5.108 7.700 1.00 0.00 C ATOM 573 CD2 LEU A 35 9.652 -3.411 5.857 1.00 0.00 C ATOM 0 H LEU A 35 11.490 -3.924 4.104 1.00 0.00 H new ATOM 0 HA LEU A 35 13.614 -5.055 5.800 1.00 0.00 H new ATOM 0 HB2 LEU A 35 11.850 -5.527 7.461 1.00 0.00 H new ATOM 0 HB3 LEU A 35 11.941 -3.820 7.075 1.00 0.00 H new ATOM 0 HG LEU A 35 9.895 -5.534 5.677 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.259 -5.083 7.490 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.607 -6.104 8.044 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.562 -4.378 8.475 1.00 0.00 H new ATOM 0 HD21 LEU A 35 8.575 -3.430 5.690 1.00 0.00 H new ATOM 0 HD22 LEU A 35 9.895 -2.620 6.567 1.00 0.00 H new ATOM 0 HD23 LEU A 35 10.162 -3.220 4.913 1.00 0.00 H new ATOM 585 N TRP A 36 12.700 -7.501 5.827 1.00 0.00 N ATOM 586 CA TRP A 36 12.462 -8.935 5.628 1.00 0.00 C ATOM 587 C TRP A 36 10.943 -9.247 5.572 1.00 0.00 C ATOM 588 O TRP A 36 10.192 -8.920 6.505 1.00 0.00 O ATOM 589 CB TRP A 36 13.133 -9.758 6.763 1.00 0.00 C ATOM 590 CG TRP A 36 14.575 -9.392 7.044 1.00 0.00 C ATOM 591 CD1 TRP A 36 15.074 -8.817 8.182 1.00 0.00 C ATOM 592 CD2 TRP A 36 15.692 -9.569 6.164 1.00 0.00 C ATOM 593 NE1 TRP A 36 16.426 -8.632 8.063 1.00 0.00 N ATOM 594 CE2 TRP A 36 16.828 -9.082 6.832 1.00 0.00 C ATOM 595 CE3 TRP A 36 15.839 -10.094 4.877 1.00 0.00 C ATOM 596 CZ2 TRP A 36 18.093 -9.099 6.254 1.00 0.00 C ATOM 597 CZ3 TRP A 36 17.095 -10.107 4.306 1.00 0.00 C ATOM 598 CH2 TRP A 36 18.207 -9.613 4.994 1.00 0.00 C ATOM 0 H TRP A 36 13.228 -7.298 6.676 1.00 0.00 H new ATOM 0 HA TRP A 36 12.905 -9.219 4.673 1.00 0.00 H new ATOM 0 HB2 TRP A 36 12.555 -9.628 7.678 1.00 0.00 H new ATOM 0 HB3 TRP A 36 13.085 -10.816 6.503 1.00 0.00 H new ATOM 0 HD1 TRP A 36 14.487 -8.548 9.048 1.00 0.00 H new ATOM 0 HE1 TRP A 36 17.034 -8.226 8.774 1.00 0.00 H new ATOM 0 HE3 TRP A 36 14.986 -10.482 4.340 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 18.955 -8.719 6.783 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 17.221 -10.506 3.310 1.00 0.00 H new ATOM 0 HH2 TRP A 36 19.177 -9.638 4.519 1.00 0.00 H new ATOM 609 N ALA A 37 10.526 -9.869 4.463 1.00 0.00 N ATOM 610 CA ALA A 37 9.130 -10.279 4.217 1.00 0.00 C ATOM 611 C ALA A 37 9.071 -11.683 3.618 1.00 0.00 C ATOM 612 O ALA A 37 10.094 -12.301 3.425 1.00 0.00 O ATOM 613 CB ALA A 37 8.456 -9.284 3.274 1.00 0.00 C ATOM 0 H ALA A 37 11.155 -10.107 3.697 1.00 0.00 H new ATOM 0 HA ALA A 37 8.602 -10.290 5.171 1.00 0.00 H new ATOM 0 HB1 ALA A 37 7.426 -9.592 3.096 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.465 -8.292 3.725 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.995 -9.257 2.327 1.00 0.00 H new ATOM 619 N SER A 38 7.858 -12.208 3.413 1.00 0.00 N ATOM 620 CA SER A 38 7.598 -13.356 2.545 1.00 0.00 C ATOM 621 C SER A 38 6.340 -13.033 1.734 1.00 0.00 C ATOM 622 O SER A 38 5.231 -12.985 2.285 1.00 0.00 O ATOM 623 CB SER A 38 7.389 -14.633 3.386 1.00 0.00 C ATOM 624 OG SER A 38 8.510 -14.883 4.204 1.00 0.00 O ATOM 0 H SER A 38 7.016 -11.839 3.855 1.00 0.00 H new ATOM 0 HA SER A 38 8.445 -13.539 1.883 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.498 -14.524 4.005 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.217 -15.484 2.727 1.00 0.00 H new ATOM 0 HG SER A 38 8.357 -15.696 4.730 1.00 0.00 H new ATOM 630 N VAL A 39 6.524 -12.759 0.444 1.00 0.00 N ATOM 631 CA VAL A 39 5.447 -12.330 -0.459 1.00 0.00 C ATOM 632 C VAL A 39 5.067 -13.482 -1.369 1.00 0.00 C ATOM 633 O VAL A 39 5.948 -14.144 -1.916 1.00 0.00 O ATOM 634 CB VAL A 39 5.905 -11.116 -1.342 1.00 0.00 C ATOM 635 CG1 VAL A 39 4.788 -10.646 -2.314 1.00 0.00 C ATOM 636 CG2 VAL A 39 6.368 -9.969 -0.438 1.00 0.00 C ATOM 0 H VAL A 39 7.433 -12.828 -0.013 1.00 0.00 H new ATOM 0 HA VAL A 39 4.593 -12.023 0.145 1.00 0.00 H new ATOM 0 HB VAL A 39 6.739 -11.443 -1.962 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.150 -9.804 -2.905 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.516 -11.466 -2.979 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.913 -10.338 -1.741 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.686 -9.127 -1.053 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.545 -9.658 0.206 1.00 0.00 H new ATOM 0 HG23 VAL A 39 7.203 -10.305 0.177 1.00 0.00 H new ATOM 646 N ASN A 40 3.769 -13.753 -1.484 1.00 0.00 N ATOM 647 CA ASN A 40 3.224 -14.653 -2.506 1.00 0.00 C ATOM 648 C ASN A 40 1.792 -14.226 -2.846 1.00 0.00 C ATOM 649 O ASN A 40 1.154 -13.524 -2.058 1.00 0.00 O ATOM 650 CB ASN A 40 3.272 -16.143 -2.046 1.00 0.00 C ATOM 651 CG ASN A 40 2.384 -16.518 -0.841 1.00 0.00 C ATOM 652 OD1 ASN A 40 2.231 -15.639 0.146 1.00 0.00 O flip ATOM 653 ND2 ASN A 40 1.873 -17.637 -0.780 1.00 0.00 N flip ATOM 0 H ASN A 40 3.059 -13.354 -0.869 1.00 0.00 H new ATOM 0 HA ASN A 40 3.842 -14.580 -3.401 1.00 0.00 H new ATOM 0 HB2 ASN A 40 2.985 -16.770 -2.890 1.00 0.00 H new ATOM 0 HB3 ASN A 40 4.304 -16.392 -1.800 1.00 0.00 H new ATOM 0 HD21 ASN A 40 2.001 -18.298 -1.546 1.00 0.00 H new ATOM 0 HD22 ASN A 40 1.322 -17.902 0.036 1.00 0.00 H new ATOM 660 N MET A 41 1.297 -14.642 -4.017 1.00 0.00 N ATOM 661 CA MET A 41 -0.124 -14.511 -4.365 1.00 0.00 C ATOM 662 C MET A 41 -0.955 -15.438 -3.470 1.00 0.00 C ATOM 663 O MET A 41 -0.476 -16.510 -3.060 1.00 0.00 O ATOM 664 CB MET A 41 -0.344 -14.848 -5.861 1.00 0.00 C ATOM 665 CG MET A 41 0.101 -13.738 -6.818 1.00 0.00 C ATOM 666 SD MET A 41 -0.925 -12.265 -6.620 1.00 0.00 S ATOM 667 CE MET A 41 -0.304 -11.184 -7.901 1.00 0.00 C ATOM 0 H MET A 41 1.864 -15.076 -4.746 1.00 0.00 H new ATOM 0 HA MET A 41 -0.444 -13.482 -4.201 1.00 0.00 H new ATOM 0 HB2 MET A 41 0.200 -15.762 -6.102 1.00 0.00 H new ATOM 0 HB3 MET A 41 -1.402 -15.054 -6.025 1.00 0.00 H new ATOM 0 HG2 MET A 41 1.145 -13.487 -6.629 1.00 0.00 H new ATOM 0 HG3 MET A 41 0.039 -14.093 -7.847 1.00 0.00 H new ATOM 0 HE1 MET A 41 -1.115 -10.559 -8.275 1.00 0.00 H new ATOM 0 HE2 MET A 41 0.483 -10.551 -7.492 1.00 0.00 H new ATOM 0 HE3 MET A 41 0.099 -11.782 -8.718 1.00 0.00 H new ATOM 677 N VAL A 42 -2.192 -15.010 -3.169 1.00 0.00 N ATOM 678 CA VAL A 42 -3.114 -15.775 -2.322 1.00 0.00 C ATOM 679 C VAL A 42 -3.456 -17.107 -2.986 1.00 0.00 C ATOM 680 O VAL A 42 -3.571 -17.189 -4.225 1.00 0.00 O ATOM 681 CB VAL A 42 -4.447 -14.997 -1.987 1.00 0.00 C ATOM 682 CG1 VAL A 42 -4.146 -13.709 -1.181 1.00 0.00 C ATOM 683 CG2 VAL A 42 -5.299 -14.704 -3.262 1.00 0.00 C ATOM 0 H VAL A 42 -2.577 -14.128 -3.506 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.595 -15.942 -1.378 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.056 -15.648 -1.359 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.079 -13.190 -0.962 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -3.649 -13.972 -0.247 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.497 -13.057 -1.766 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.205 -14.168 -2.979 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.719 -14.095 -3.955 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.569 -15.644 -3.743 1.00 0.00 H new ATOM 693 N SER A 43 -3.629 -18.125 -2.153 1.00 0.00 N ATOM 694 CA SER A 43 -3.881 -19.486 -2.601 1.00 0.00 C ATOM 695 C SER A 43 -5.321 -19.610 -3.114 1.00 0.00 C ATOM 696 O SER A 43 -6.178 -18.750 -2.833 1.00 0.00 O ATOM 697 CB SER A 43 -3.623 -20.459 -1.429 1.00 0.00 C ATOM 698 OG SER A 43 -3.849 -21.809 -1.797 1.00 0.00 O ATOM 0 H SER A 43 -3.598 -18.027 -1.138 1.00 0.00 H new ATOM 0 HA SER A 43 -3.210 -19.738 -3.422 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.596 -20.345 -1.083 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.271 -20.198 -0.593 1.00 0.00 H new ATOM 0 HG SER A 43 -3.078 -22.353 -1.533 1.00 0.00 H new ATOM 704 N SER A 44 -5.567 -20.692 -3.865 1.00 0.00 N ATOM 705 CA SER A 44 -6.886 -21.025 -4.414 1.00 0.00 C ATOM 706 C SER A 44 -7.901 -21.240 -3.282 1.00 0.00 C ATOM 707 O SER A 44 -9.070 -20.906 -3.430 1.00 0.00 O ATOM 708 CB SER A 44 -6.764 -22.277 -5.314 1.00 0.00 C ATOM 709 OG SER A 44 -6.111 -23.343 -4.641 1.00 0.00 O ATOM 0 H SER A 44 -4.845 -21.369 -4.111 1.00 0.00 H new ATOM 0 HA SER A 44 -7.250 -20.196 -5.021 1.00 0.00 H new ATOM 0 HB2 SER A 44 -7.757 -22.598 -5.628 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.210 -22.023 -6.218 1.00 0.00 H new ATOM 0 HG SER A 44 -6.052 -24.119 -5.237 1.00 0.00 H new ATOM 715 N LYS A 45 -7.408 -21.742 -2.131 1.00 0.00 N ATOM 716 CA LYS A 45 -8.225 -21.964 -0.926 1.00 0.00 C ATOM 717 C LYS A 45 -8.812 -20.638 -0.387 1.00 0.00 C ATOM 718 O LYS A 45 -9.912 -20.638 0.137 1.00 0.00 O ATOM 719 CB LYS A 45 -7.380 -22.655 0.175 1.00 0.00 C ATOM 720 CG LYS A 45 -6.254 -21.775 0.773 1.00 0.00 C ATOM 721 CD LYS A 45 -5.326 -22.535 1.740 1.00 0.00 C ATOM 722 CE LYS A 45 -4.574 -23.700 1.055 1.00 0.00 C ATOM 723 NZ LYS A 45 -3.656 -24.397 1.981 1.00 0.00 N ATOM 0 H LYS A 45 -6.429 -22.005 -2.014 1.00 0.00 H new ATOM 0 HA LYS A 45 -9.056 -22.613 -1.203 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.044 -22.969 0.980 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.934 -23.559 -0.241 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.657 -21.361 -0.040 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.703 -20.933 1.300 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.601 -21.839 2.163 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.915 -22.926 2.570 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.297 -24.413 0.659 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -4.008 -23.315 0.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.175 -25.169 1.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.949 -23.725 2.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.198 -24.788 2.778 1.00 0.00 H new ATOM 737 N GLU A 46 -8.054 -19.523 -0.539 1.00 0.00 N ATOM 738 CA GLU A 46 -8.442 -18.190 -0.016 1.00 0.00 C ATOM 739 C GLU A 46 -9.539 -17.567 -0.903 1.00 0.00 C ATOM 740 O GLU A 46 -10.598 -17.132 -0.404 1.00 0.00 O ATOM 741 CB GLU A 46 -7.189 -17.264 0.068 1.00 0.00 C ATOM 742 CG GLU A 46 -6.084 -17.773 1.024 1.00 0.00 C ATOM 743 CD GLU A 46 -4.886 -16.807 1.142 1.00 0.00 C ATOM 744 OE1 GLU A 46 -5.076 -15.669 1.629 1.00 0.00 O ATOM 745 OE2 GLU A 46 -3.755 -17.183 0.765 1.00 0.00 O ATOM 0 H GLU A 46 -7.158 -19.523 -1.027 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.848 -18.304 0.989 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -6.766 -17.153 -0.931 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.505 -16.273 0.392 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.514 -17.931 2.013 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.728 -18.742 0.673 1.00 0.00 H new ATOM 752 N ALA A 47 -9.270 -17.554 -2.220 1.00 0.00 N ATOM 753 CA ALA A 47 -10.216 -17.080 -3.248 1.00 0.00 C ATOM 754 C ALA A 47 -11.567 -17.842 -3.206 1.00 0.00 C ATOM 755 O ALA A 47 -12.635 -17.232 -3.093 1.00 0.00 O ATOM 756 CB ALA A 47 -9.559 -17.216 -4.627 1.00 0.00 C ATOM 0 H ALA A 47 -8.382 -17.875 -2.605 1.00 0.00 H new ATOM 0 HA ALA A 47 -10.447 -16.034 -3.045 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -10.250 -16.868 -5.395 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -8.650 -16.615 -4.658 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -9.310 -18.261 -4.810 1.00 0.00 H new ATOM 762 N ILE A 48 -11.483 -19.178 -3.296 1.00 0.00 N ATOM 763 CA ILE A 48 -12.660 -20.081 -3.284 1.00 0.00 C ATOM 764 C ILE A 48 -13.394 -20.063 -1.912 1.00 0.00 C ATOM 765 O ILE A 48 -14.612 -20.276 -1.869 1.00 0.00 O ATOM 766 CB ILE A 48 -12.246 -21.544 -3.724 1.00 0.00 C ATOM 767 CG1 ILE A 48 -11.616 -21.515 -5.163 1.00 0.00 C ATOM 768 CG2 ILE A 48 -13.441 -22.535 -3.671 1.00 0.00 C ATOM 769 CD1 ILE A 48 -11.077 -22.846 -5.664 1.00 0.00 C ATOM 0 H ILE A 48 -10.595 -19.672 -3.380 1.00 0.00 H new ATOM 0 HA ILE A 48 -13.376 -19.708 -4.016 1.00 0.00 H new ATOM 0 HB ILE A 48 -11.503 -21.903 -3.012 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -12.371 -21.160 -5.865 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -10.805 -20.787 -5.172 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -13.107 -23.525 -3.982 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -13.827 -22.585 -2.653 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -14.229 -22.191 -4.341 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -10.665 -22.718 -6.665 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -10.295 -23.198 -4.991 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -11.885 -23.577 -5.695 1.00 0.00 H new ATOM 781 N SER A 49 -12.660 -19.763 -0.808 1.00 0.00 N ATOM 782 CA SER A 49 -13.266 -19.594 0.542 1.00 0.00 C ATOM 783 C SER A 49 -14.311 -18.465 0.528 1.00 0.00 C ATOM 784 O SER A 49 -15.444 -18.645 0.994 1.00 0.00 O ATOM 785 CB SER A 49 -12.189 -19.287 1.609 1.00 0.00 C ATOM 786 OG SER A 49 -12.755 -19.154 2.906 1.00 0.00 O ATOM 0 H SER A 49 -11.648 -19.633 -0.825 1.00 0.00 H new ATOM 0 HA SER A 49 -13.753 -20.534 0.801 1.00 0.00 H new ATOM 0 HB2 SER A 49 -11.447 -20.085 1.616 1.00 0.00 H new ATOM 0 HB3 SER A 49 -11.666 -18.368 1.344 1.00 0.00 H new ATOM 0 HG SER A 49 -12.046 -18.962 3.554 1.00 0.00 H new ATOM 792 N SER A 50 -13.918 -17.307 -0.024 1.00 0.00 N ATOM 793 CA SER A 50 -14.809 -16.142 -0.174 1.00 0.00 C ATOM 794 C SER A 50 -15.744 -16.295 -1.397 1.00 0.00 C ATOM 795 O SER A 50 -16.688 -15.520 -1.565 1.00 0.00 O ATOM 796 CB SER A 50 -13.953 -14.875 -0.303 1.00 0.00 C ATOM 797 OG SER A 50 -13.112 -14.936 -1.442 1.00 0.00 O ATOM 0 H SER A 50 -12.975 -17.150 -0.379 1.00 0.00 H new ATOM 0 HA SER A 50 -15.446 -16.070 0.708 1.00 0.00 H new ATOM 0 HB2 SER A 50 -14.601 -14.001 -0.373 1.00 0.00 H new ATOM 0 HB3 SER A 50 -13.346 -14.751 0.594 1.00 0.00 H new ATOM 0 HG SER A 50 -13.169 -15.828 -1.843 1.00 0.00 H new ATOM 803 N GLY A 51 -15.445 -17.287 -2.257 1.00 0.00 N ATOM 804 CA GLY A 51 -16.256 -17.582 -3.435 1.00 0.00 C ATOM 805 C GLY A 51 -15.853 -16.727 -4.626 1.00 0.00 C ATOM 806 O GLY A 51 -15.143 -17.197 -5.521 1.00 0.00 O ATOM 0 H GLY A 51 -14.636 -17.899 -2.148 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -16.153 -18.636 -3.693 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -17.308 -17.412 -3.204 1.00 0.00 H new ATOM 810 N ALA A 52 -16.284 -15.454 -4.625 1.00 0.00 N ATOM 811 CA ALA A 52 -16.013 -14.509 -5.729 1.00 0.00 C ATOM 812 C ALA A 52 -15.558 -13.130 -5.206 1.00 0.00 C ATOM 813 O ALA A 52 -15.325 -12.210 -6.004 1.00 0.00 O ATOM 814 CB ALA A 52 -17.272 -14.384 -6.612 1.00 0.00 C ATOM 0 H ALA A 52 -16.828 -15.049 -3.863 1.00 0.00 H new ATOM 0 HA ALA A 52 -15.191 -14.900 -6.328 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -17.077 -13.688 -7.428 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -17.527 -15.361 -7.022 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -18.103 -14.015 -6.011 1.00 0.00 H new ATOM 820 N GLU A 53 -15.430 -12.991 -3.868 1.00 0.00 N ATOM 821 CA GLU A 53 -15.050 -11.710 -3.225 1.00 0.00 C ATOM 822 C GLU A 53 -13.529 -11.494 -3.357 1.00 0.00 C ATOM 823 O GLU A 53 -13.077 -10.616 -4.101 1.00 0.00 O ATOM 824 CB GLU A 53 -15.498 -11.702 -1.736 1.00 0.00 C ATOM 825 CG GLU A 53 -16.977 -12.072 -1.524 1.00 0.00 C ATOM 826 CD GLU A 53 -17.394 -12.061 -0.050 1.00 0.00 C ATOM 827 OE1 GLU A 53 -17.155 -13.062 0.657 1.00 0.00 O ATOM 828 OE2 GLU A 53 -17.945 -11.043 0.420 1.00 0.00 O ATOM 0 H GLU A 53 -15.585 -13.753 -3.208 1.00 0.00 H new ATOM 0 HA GLU A 53 -15.557 -10.886 -3.728 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -14.876 -12.401 -1.177 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -15.319 -10.711 -1.319 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -17.603 -11.373 -2.078 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -17.161 -13.063 -1.940 1.00 0.00 H new ATOM 835 N LEU A 54 -12.746 -12.313 -2.638 1.00 0.00 N ATOM 836 CA LEU A 54 -11.283 -12.390 -2.809 1.00 0.00 C ATOM 837 C LEU A 54 -11.009 -13.328 -3.988 1.00 0.00 C ATOM 838 O LEU A 54 -11.710 -14.330 -4.143 1.00 0.00 O ATOM 839 CB LEU A 54 -10.600 -12.936 -1.514 1.00 0.00 C ATOM 840 CG LEU A 54 -11.012 -12.240 -0.171 1.00 0.00 C ATOM 841 CD1 LEU A 54 -10.291 -12.876 1.043 1.00 0.00 C ATOM 842 CD2 LEU A 54 -10.777 -10.715 -0.239 1.00 0.00 C ATOM 0 H LEU A 54 -13.107 -12.942 -1.921 1.00 0.00 H new ATOM 0 HA LEU A 54 -10.873 -11.398 -3.000 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -10.822 -14.000 -1.431 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -9.520 -12.844 -1.631 1.00 0.00 H new ATOM 0 HG LEU A 54 -12.081 -12.401 -0.029 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -10.601 -12.369 1.957 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -10.552 -13.932 1.108 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -9.213 -12.775 0.920 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -11.072 -10.259 0.706 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -9.721 -10.517 -0.424 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -11.372 -10.291 -1.048 1.00 0.00 H new ATOM 854 N ALA A 55 -10.005 -13.008 -4.809 1.00 0.00 N ATOM 855 CA ALA A 55 -9.660 -13.803 -6.003 1.00 0.00 C ATOM 856 C ALA A 55 -8.137 -13.906 -6.149 1.00 0.00 C ATOM 857 O ALA A 55 -7.412 -13.075 -5.604 1.00 0.00 O ATOM 858 CB ALA A 55 -10.311 -13.177 -7.252 1.00 0.00 C ATOM 0 H ALA A 55 -9.407 -12.194 -4.670 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.049 -14.815 -5.892 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -10.053 -13.768 -8.131 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -11.394 -13.162 -7.129 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.947 -12.158 -7.380 1.00 0.00 H new ATOM 864 N ILE A 56 -7.664 -14.946 -6.860 1.00 0.00 N ATOM 865 CA ILE A 56 -6.225 -15.141 -7.127 1.00 0.00 C ATOM 866 C ILE A 56 -5.701 -13.958 -7.990 1.00 0.00 C ATOM 867 O ILE A 56 -6.235 -13.688 -9.073 1.00 0.00 O ATOM 868 CB ILE A 56 -5.947 -16.510 -7.853 1.00 0.00 C ATOM 869 CG1 ILE A 56 -6.452 -17.702 -6.979 1.00 0.00 C ATOM 870 CG2 ILE A 56 -4.443 -16.672 -8.208 1.00 0.00 C ATOM 871 CD1 ILE A 56 -6.272 -19.080 -7.608 1.00 0.00 C ATOM 0 H ILE A 56 -8.261 -15.669 -7.262 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.698 -15.167 -6.173 1.00 0.00 H new ATOM 0 HB ILE A 56 -6.501 -16.513 -8.791 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -5.926 -17.683 -6.025 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -7.510 -17.553 -6.763 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.288 -17.628 -8.708 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.136 -15.862 -8.870 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.848 -16.639 -7.295 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -6.651 -19.843 -6.928 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -6.822 -19.126 -8.548 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -5.214 -19.258 -7.798 1.00 0.00 H new ATOM 883 N GLY A 57 -4.647 -13.293 -7.508 1.00 0.00 N ATOM 884 CA GLY A 57 -4.229 -11.958 -7.990 1.00 0.00 C ATOM 885 C GLY A 57 -4.302 -10.921 -6.866 1.00 0.00 C ATOM 886 O GLY A 57 -3.790 -9.798 -6.984 1.00 0.00 O ATOM 0 H GLY A 57 -4.051 -13.662 -6.767 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -3.211 -12.009 -8.377 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.869 -11.649 -8.817 1.00 0.00 H new ATOM 890 N THR A 58 -4.961 -11.326 -5.771 1.00 0.00 N ATOM 891 CA THR A 58 -4.760 -10.761 -4.440 1.00 0.00 C ATOM 892 C THR A 58 -3.448 -11.368 -3.881 1.00 0.00 C ATOM 893 O THR A 58 -3.036 -12.450 -4.306 1.00 0.00 O ATOM 894 CB THR A 58 -5.990 -11.089 -3.519 1.00 0.00 C ATOM 895 OG1 THR A 58 -7.197 -10.636 -4.156 1.00 0.00 O ATOM 896 CG2 THR A 58 -5.889 -10.456 -2.124 1.00 0.00 C ATOM 0 H THR A 58 -5.660 -12.069 -5.792 1.00 0.00 H new ATOM 0 HA THR A 58 -4.679 -9.675 -4.479 1.00 0.00 H new ATOM 0 HB THR A 58 -6.001 -12.170 -3.380 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.535 -11.336 -4.753 1.00 0.00 H new ATOM 0 HG21 THR A 58 -6.770 -10.722 -1.539 1.00 0.00 H new ATOM 0 HG22 THR A 58 -4.995 -10.824 -1.621 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.831 -9.372 -2.220 1.00 0.00 H new ATOM 904 N VAL A 59 -2.782 -10.665 -2.957 1.00 0.00 N ATOM 905 CA VAL A 59 -1.423 -11.003 -2.488 1.00 0.00 C ATOM 906 C VAL A 59 -1.392 -11.170 -0.955 1.00 0.00 C ATOM 907 O VAL A 59 -1.862 -10.299 -0.224 1.00 0.00 O ATOM 908 CB VAL A 59 -0.411 -9.874 -2.909 1.00 0.00 C ATOM 909 CG1 VAL A 59 1.037 -10.260 -2.535 1.00 0.00 C ATOM 910 CG2 VAL A 59 -0.541 -9.552 -4.413 1.00 0.00 C ATOM 0 H VAL A 59 -3.171 -9.837 -2.506 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.133 -11.947 -2.949 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.662 -8.969 -2.355 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.716 -9.462 -2.837 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.107 -10.408 -1.457 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.311 -11.183 -3.046 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.169 -8.769 -4.680 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.329 -10.448 -4.997 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.554 -9.212 -4.626 1.00 0.00 H new ATOM 920 N ARG A 60 -0.853 -12.304 -0.475 1.00 0.00 N ATOM 921 CA ARG A 60 -0.592 -12.533 0.954 1.00 0.00 C ATOM 922 C ARG A 60 0.893 -12.239 1.261 1.00 0.00 C ATOM 923 O ARG A 60 1.791 -12.761 0.592 1.00 0.00 O ATOM 924 CB ARG A 60 -0.963 -13.984 1.342 1.00 0.00 C ATOM 925 CG ARG A 60 -0.892 -14.280 2.860 1.00 0.00 C ATOM 926 CD ARG A 60 -1.898 -13.448 3.686 1.00 0.00 C ATOM 927 NE ARG A 60 -3.282 -13.616 3.204 1.00 0.00 N ATOM 928 CZ ARG A 60 -4.365 -13.025 3.721 1.00 0.00 C ATOM 929 NH1 ARG A 60 -4.302 -12.335 4.846 1.00 0.00 N ATOM 930 NH2 ARG A 60 -5.529 -13.177 3.124 1.00 0.00 N ATOM 0 H ARG A 60 -0.586 -13.089 -1.070 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.211 -11.860 1.548 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -1.973 -14.194 0.990 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -0.295 -14.669 0.819 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.083 -15.340 3.027 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.118 -14.078 3.217 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -1.840 -13.745 4.733 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -1.623 -12.394 3.638 1.00 0.00 H new ATOM 0 HE ARG A 60 -3.426 -14.237 2.407 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -3.414 -12.244 5.340 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -5.141 -11.893 5.221 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -5.598 -13.741 2.277 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -6.362 -12.731 3.509 1.00 0.00 H new ATOM 944 N ILE A 61 1.136 -11.406 2.289 1.00 0.00 N ATOM 945 CA ILE A 61 2.483 -10.910 2.657 1.00 0.00 C ATOM 946 C ILE A 61 2.643 -11.019 4.183 1.00 0.00 C ATOM 947 O ILE A 61 1.671 -10.861 4.927 1.00 0.00 O ATOM 948 CB ILE A 61 2.714 -9.418 2.174 1.00 0.00 C ATOM 949 CG1 ILE A 61 2.475 -9.313 0.636 1.00 0.00 C ATOM 950 CG2 ILE A 61 4.128 -8.886 2.566 1.00 0.00 C ATOM 951 CD1 ILE A 61 2.549 -7.923 0.058 1.00 0.00 C ATOM 0 H ILE A 61 0.397 -11.052 2.897 1.00 0.00 H new ATOM 0 HA ILE A 61 3.235 -11.521 2.157 1.00 0.00 H new ATOM 0 HB ILE A 61 1.991 -8.783 2.686 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.210 -9.937 0.129 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.493 -9.729 0.410 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.241 -7.860 2.215 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.239 -8.913 3.650 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.893 -9.513 2.107 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.368 -7.965 -1.016 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.794 -7.293 0.528 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.538 -7.504 0.243 1.00 0.00 H new ATOM 963 N TRP A 62 3.851 -11.365 4.632 1.00 0.00 N ATOM 964 CA TRP A 62 4.198 -11.475 6.063 1.00 0.00 C ATOM 965 C TRP A 62 5.542 -10.788 6.256 1.00 0.00 C ATOM 966 O TRP A 62 6.497 -11.170 5.617 1.00 0.00 O ATOM 967 CB TRP A 62 4.279 -12.974 6.504 1.00 0.00 C ATOM 968 CG TRP A 62 3.014 -13.768 6.246 1.00 0.00 C ATOM 969 CD1 TRP A 62 2.616 -14.307 5.053 1.00 0.00 C ATOM 970 CD2 TRP A 62 1.988 -14.119 7.195 1.00 0.00 C ATOM 971 NE1 TRP A 62 1.404 -14.917 5.196 1.00 0.00 N ATOM 972 CE2 TRP A 62 1.004 -14.835 6.497 1.00 0.00 C ATOM 973 CE3 TRP A 62 1.800 -13.886 8.556 1.00 0.00 C ATOM 974 CZ2 TRP A 62 -0.139 -15.332 7.111 1.00 0.00 C ATOM 975 CZ3 TRP A 62 0.666 -14.380 9.173 1.00 0.00 C ATOM 976 CH2 TRP A 62 -0.292 -15.099 8.448 1.00 0.00 C ATOM 0 H TRP A 62 4.630 -11.581 4.010 1.00 0.00 H new ATOM 0 HA TRP A 62 3.431 -11.002 6.677 1.00 0.00 H new ATOM 0 HB2 TRP A 62 5.107 -13.451 5.979 1.00 0.00 H new ATOM 0 HB3 TRP A 62 4.510 -13.016 7.568 1.00 0.00 H new ATOM 0 HD1 TRP A 62 3.179 -14.257 4.133 1.00 0.00 H new ATOM 0 HE1 TRP A 62 0.878 -15.365 4.446 1.00 0.00 H new ATOM 0 HE3 TRP A 62 2.531 -13.327 9.121 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -0.880 -15.883 6.551 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 0.517 -14.209 10.229 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -1.168 -15.476 8.955 1.00 0.00 H new ATOM 987 N ILE A 63 5.607 -9.777 7.116 1.00 0.00 N ATOM 988 CA ILE A 63 6.830 -8.979 7.343 1.00 0.00 C ATOM 989 C ILE A 63 7.239 -9.057 8.814 1.00 0.00 C ATOM 990 O ILE A 63 6.503 -9.602 9.625 1.00 0.00 O ATOM 991 CB ILE A 63 6.638 -7.471 6.946 1.00 0.00 C ATOM 992 CG1 ILE A 63 5.563 -6.773 7.831 1.00 0.00 C ATOM 993 CG2 ILE A 63 6.287 -7.316 5.453 1.00 0.00 C ATOM 994 CD1 ILE A 63 5.506 -5.264 7.676 1.00 0.00 C ATOM 0 H ILE A 63 4.814 -9.478 7.684 1.00 0.00 H new ATOM 0 HA ILE A 63 7.609 -9.400 6.708 1.00 0.00 H new ATOM 0 HB ILE A 63 7.593 -6.977 7.123 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.585 -7.188 7.588 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.760 -7.011 8.876 1.00 0.00 H new ATOM 0 HG21 ILE A 63 6.162 -6.259 5.216 1.00 0.00 H new ATOM 0 HG22 ILE A 63 7.091 -7.731 4.845 1.00 0.00 H new ATOM 0 HG23 ILE A 63 5.360 -7.848 5.240 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.731 -4.860 8.328 1.00 0.00 H new ATOM 0 HD12 ILE A 63 6.470 -4.834 7.948 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.276 -5.013 6.640 1.00 0.00 H new ATOM 1006 N ARG A 64 8.452 -8.577 9.120 1.00 0.00 N ATOM 1007 CA ARG A 64 8.890 -8.274 10.506 1.00 0.00 C ATOM 1008 C ARG A 64 7.843 -7.455 11.299 1.00 0.00 C ATOM 1009 O ARG A 64 7.139 -6.612 10.727 1.00 0.00 O ATOM 1010 CB ARG A 64 10.230 -7.498 10.465 1.00 0.00 C ATOM 1011 CG ARG A 64 11.379 -8.245 9.760 1.00 0.00 C ATOM 1012 CD ARG A 64 11.836 -9.497 10.536 1.00 0.00 C ATOM 1013 NE ARG A 64 12.327 -9.154 11.886 1.00 0.00 N ATOM 1014 CZ ARG A 64 13.601 -9.237 12.299 1.00 0.00 C ATOM 1015 NH1 ARG A 64 14.549 -9.692 11.483 1.00 0.00 N ATOM 1016 NH2 ARG A 64 13.919 -8.851 13.522 1.00 0.00 N ATOM 0 H ARG A 64 9.166 -8.384 8.417 1.00 0.00 H new ATOM 0 HA ARG A 64 9.013 -9.226 11.022 1.00 0.00 H new ATOM 0 HB2 ARG A 64 10.069 -6.546 9.960 1.00 0.00 H new ATOM 0 HB3 ARG A 64 10.535 -7.270 11.486 1.00 0.00 H new ATOM 0 HG2 ARG A 64 11.058 -8.539 8.761 1.00 0.00 H new ATOM 0 HG3 ARG A 64 12.225 -7.569 9.637 1.00 0.00 H new ATOM 0 HD2 ARG A 64 11.005 -10.198 10.618 1.00 0.00 H new ATOM 0 HD3 ARG A 64 12.625 -10.002 9.979 1.00 0.00 H new ATOM 0 HE ARG A 64 11.638 -8.826 12.563 1.00 0.00 H new ATOM 0 HH11 ARG A 64 14.310 -9.981 10.535 1.00 0.00 H new ATOM 0 HH12 ARG A 64 15.515 -9.751 11.806 1.00 0.00 H new ATOM 0 HH21 ARG A 64 13.198 -8.492 14.147 1.00 0.00 H new ATOM 0 HH22 ARG A 64 14.886 -8.912 13.841 1.00 0.00 H new ATOM 1030 N TYR A 65 7.770 -7.703 12.624 1.00 0.00 N ATOM 1031 CA TYR A 65 6.765 -7.084 13.512 1.00 0.00 C ATOM 1032 C TYR A 65 7.021 -5.572 13.635 1.00 0.00 C ATOM 1033 O TYR A 65 8.015 -5.155 14.243 1.00 0.00 O ATOM 1034 CB TYR A 65 6.780 -7.757 14.922 1.00 0.00 C ATOM 1035 CG TYR A 65 5.540 -7.441 15.797 1.00 0.00 C ATOM 1036 CD1 TYR A 65 5.425 -6.254 16.531 1.00 0.00 C ATOM 1037 CD2 TYR A 65 4.477 -8.341 15.880 1.00 0.00 C ATOM 1038 CE1 TYR A 65 4.299 -5.981 17.290 1.00 0.00 C ATOM 1039 CE2 TYR A 65 3.356 -8.072 16.636 1.00 0.00 C ATOM 1040 CZ TYR A 65 3.270 -6.898 17.341 1.00 0.00 C ATOM 1041 OH TYR A 65 2.138 -6.625 18.085 1.00 0.00 O ATOM 0 H TYR A 65 8.406 -8.338 13.107 1.00 0.00 H new ATOM 0 HA TYR A 65 5.779 -7.237 13.073 1.00 0.00 H new ATOM 0 HB2 TYR A 65 6.854 -8.837 14.795 1.00 0.00 H new ATOM 0 HB3 TYR A 65 7.676 -7.437 15.454 1.00 0.00 H new ATOM 0 HD1 TYR A 65 6.231 -5.536 16.505 1.00 0.00 H new ATOM 0 HD2 TYR A 65 4.534 -9.273 15.338 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.227 -5.054 17.840 1.00 0.00 H new ATOM 0 HE2 TYR A 65 2.546 -8.785 16.673 1.00 0.00 H new ATOM 0 HH TYR A 65 1.510 -7.374 18.013 1.00 0.00 H new ATOM 1051 N ARG A 66 6.140 -4.768 13.028 1.00 0.00 N ATOM 1052 CA ARG A 66 6.183 -3.306 13.138 1.00 0.00 C ATOM 1053 C ARG A 66 4.769 -2.723 13.041 1.00 0.00 C ATOM 1054 O ARG A 66 4.040 -2.969 12.072 1.00 0.00 O ATOM 1055 CB ARG A 66 7.123 -2.671 12.073 1.00 0.00 C ATOM 1056 CG ARG A 66 6.910 -3.133 10.621 1.00 0.00 C ATOM 1057 CD ARG A 66 7.899 -2.443 9.662 1.00 0.00 C ATOM 1058 NE ARG A 66 9.304 -2.707 10.037 1.00 0.00 N ATOM 1059 CZ ARG A 66 10.267 -1.785 10.199 1.00 0.00 C ATOM 1060 NH1 ARG A 66 10.038 -0.494 9.996 1.00 0.00 N ATOM 1061 NH2 ARG A 66 11.463 -2.173 10.583 1.00 0.00 N ATOM 0 H ARG A 66 5.377 -5.114 12.446 1.00 0.00 H new ATOM 0 HA ARG A 66 6.596 -3.059 14.116 1.00 0.00 H new ATOM 0 HB2 ARG A 66 7.001 -1.588 12.110 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.154 -2.886 12.354 1.00 0.00 H new ATOM 0 HG2 ARG A 66 7.035 -4.214 10.559 1.00 0.00 H new ATOM 0 HG3 ARG A 66 5.888 -2.912 10.313 1.00 0.00 H new ATOM 0 HD2 ARG A 66 7.723 -2.793 8.645 1.00 0.00 H new ATOM 0 HD3 ARG A 66 7.718 -1.368 9.665 1.00 0.00 H new ATOM 0 HE ARG A 66 9.567 -3.681 10.187 1.00 0.00 H new ATOM 0 HH11 ARG A 66 9.111 -0.179 9.709 1.00 0.00 H new ATOM 0 HH12 ARG A 66 10.789 0.184 10.127 1.00 0.00 H new ATOM 0 HH21 ARG A 66 11.648 -3.161 10.753 1.00 0.00 H new ATOM 0 HH22 ARG A 66 12.206 -1.486 10.711 1.00 0.00 H new ATOM 1075 N LYS A 67 4.413 -1.927 14.056 1.00 0.00 N ATOM 1076 CA LYS A 67 3.102 -1.256 14.170 1.00 0.00 C ATOM 1077 C LYS A 67 3.077 0.075 13.377 1.00 0.00 C ATOM 1078 O LYS A 67 2.129 0.853 13.494 1.00 0.00 O ATOM 1079 CB LYS A 67 2.782 -1.022 15.673 1.00 0.00 C ATOM 1080 CG LYS A 67 2.871 -2.297 16.550 1.00 0.00 C ATOM 1081 CD LYS A 67 1.886 -3.419 16.131 1.00 0.00 C ATOM 1082 CE LYS A 67 0.417 -3.041 16.363 1.00 0.00 C ATOM 1083 NZ LYS A 67 0.136 -2.760 17.799 1.00 0.00 N ATOM 0 H LYS A 67 5.036 -1.724 14.838 1.00 0.00 H new ATOM 0 HA LYS A 67 2.335 -1.896 13.734 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.471 -0.275 16.067 1.00 0.00 H new ATOM 0 HB3 LYS A 67 1.778 -0.606 15.758 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.888 -2.686 16.506 1.00 0.00 H new ATOM 0 HG3 LYS A 67 2.677 -2.026 17.588 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.034 -3.650 15.076 1.00 0.00 H new ATOM 0 HD3 LYS A 67 2.116 -4.325 16.691 1.00 0.00 H new ATOM 0 HE2 LYS A 67 0.169 -2.163 15.766 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -0.225 -3.852 16.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -0.892 -2.709 17.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 0.534 -3.521 18.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 0.570 -1.854 18.067 1.00 0.00 H new ATOM 1097 N ASP A 68 4.099 0.287 12.527 1.00 0.00 N ATOM 1098 CA ASP A 68 4.300 1.532 11.757 1.00 0.00 C ATOM 1099 C ASP A 68 3.550 1.450 10.422 1.00 0.00 C ATOM 1100 O ASP A 68 3.334 2.466 9.761 1.00 0.00 O ATOM 1101 CB ASP A 68 5.810 1.736 11.453 1.00 0.00 C ATOM 1102 CG ASP A 68 6.701 1.700 12.703 1.00 0.00 C ATOM 1103 OD1 ASP A 68 7.093 0.592 13.119 1.00 0.00 O ATOM 1104 OD2 ASP A 68 7.027 2.770 13.267 1.00 0.00 O ATOM 0 H ASP A 68 4.821 -0.412 12.352 1.00 0.00 H new ATOM 0 HA ASP A 68 3.922 2.365 12.351 1.00 0.00 H new ATOM 0 HB2 ASP A 68 6.140 0.962 10.760 1.00 0.00 H new ATOM 0 HB3 ASP A 68 5.944 2.693 10.949 1.00 0.00 H new ATOM 1109 N ILE A 69 3.198 0.223 10.015 1.00 0.00 N ATOM 1110 CA ILE A 69 2.485 -0.019 8.754 1.00 0.00 C ATOM 1111 C ILE A 69 1.017 0.404 8.904 1.00 0.00 C ATOM 1112 O ILE A 69 0.395 0.163 9.948 1.00 0.00 O ATOM 1113 CB ILE A 69 2.558 -1.530 8.323 1.00 0.00 C ATOM 1114 CG1 ILE A 69 4.017 -2.067 8.446 1.00 0.00 C ATOM 1115 CG2 ILE A 69 2.000 -1.734 6.888 1.00 0.00 C ATOM 1116 CD1 ILE A 69 5.077 -1.272 7.690 1.00 0.00 C ATOM 0 H ILE A 69 3.398 -0.624 10.547 1.00 0.00 H new ATOM 0 HA ILE A 69 2.968 0.573 7.977 1.00 0.00 H new ATOM 0 HB ILE A 69 1.929 -2.106 9.001 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.289 -2.090 9.501 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.038 -3.097 8.089 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.064 -2.788 6.619 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.959 -1.413 6.854 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.585 -1.144 6.183 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.054 -1.731 7.843 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.840 -1.270 6.626 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.096 -0.247 8.060 1.00 0.00 H new ATOM 1128 N ASN A 70 0.487 1.048 7.865 1.00 0.00 N ATOM 1129 CA ASN A 70 -0.908 1.512 7.811 1.00 0.00 C ATOM 1130 C ASN A 70 -1.533 1.011 6.503 1.00 0.00 C ATOM 1131 O ASN A 70 -0.809 0.681 5.559 1.00 0.00 O ATOM 1132 CB ASN A 70 -0.947 3.062 7.893 1.00 0.00 C ATOM 1133 CG ASN A 70 -2.332 3.608 8.239 1.00 0.00 C ATOM 1134 OD1 ASN A 70 -3.140 3.909 7.358 1.00 0.00 O ATOM 1135 ND2 ASN A 70 -2.623 3.714 9.531 1.00 0.00 N ATOM 0 H ASN A 70 1.018 1.268 7.022 1.00 0.00 H new ATOM 0 HA ASN A 70 -1.477 1.119 8.653 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -0.232 3.399 8.644 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -0.626 3.479 6.938 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -3.540 4.054 9.821 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -1.929 3.456 10.233 1.00 0.00 H new ATOM 1142 N ALA A 71 -2.876 0.958 6.447 1.00 0.00 N ATOM 1143 CA ALA A 71 -3.604 0.504 5.247 1.00 0.00 C ATOM 1144 C ALA A 71 -3.413 1.472 4.060 1.00 0.00 C ATOM 1145 O ALA A 71 -3.583 1.087 2.900 1.00 0.00 O ATOM 1146 CB ALA A 71 -5.087 0.298 5.568 1.00 0.00 C ATOM 0 H ALA A 71 -3.482 1.225 7.223 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.183 -0.454 4.943 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -5.610 -0.037 4.672 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -5.189 -0.454 6.350 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -5.519 1.238 5.910 1.00 0.00 H new ATOM 1152 N THR A 72 -3.025 2.727 4.365 1.00 0.00 N ATOM 1153 CA THR A 72 -2.720 3.756 3.353 1.00 0.00 C ATOM 1154 C THR A 72 -1.210 3.758 2.991 1.00 0.00 C ATOM 1155 O THR A 72 -0.654 4.790 2.594 1.00 0.00 O ATOM 1156 CB THR A 72 -3.185 5.170 3.848 1.00 0.00 C ATOM 1157 OG1 THR A 72 -2.524 5.501 5.084 1.00 0.00 O ATOM 1158 CG2 THR A 72 -4.715 5.239 4.038 1.00 0.00 C ATOM 0 H THR A 72 -2.914 3.055 5.324 1.00 0.00 H new ATOM 0 HA THR A 72 -3.274 3.514 2.446 1.00 0.00 H new ATOM 0 HB THR A 72 -2.913 5.894 3.080 1.00 0.00 H new ATOM 0 HG1 THR A 72 -2.866 4.928 5.801 1.00 0.00 H new ATOM 0 HG21 THR A 72 -4.994 6.235 4.381 1.00 0.00 H new ATOM 0 HG22 THR A 72 -5.209 5.030 3.089 1.00 0.00 H new ATOM 0 HG23 THR A 72 -5.023 4.500 4.778 1.00 0.00 H new ATOM 1166 N SER A 73 -0.566 2.587 3.123 1.00 0.00 N ATOM 1167 CA SER A 73 0.778 2.326 2.580 1.00 0.00 C ATOM 1168 C SER A 73 0.641 1.390 1.370 1.00 0.00 C ATOM 1169 O SER A 73 -0.397 0.733 1.186 1.00 0.00 O ATOM 1170 CB SER A 73 1.697 1.706 3.658 1.00 0.00 C ATOM 1171 OG SER A 73 3.008 1.493 3.167 1.00 0.00 O ATOM 0 H SER A 73 -0.967 1.788 3.614 1.00 0.00 H new ATOM 0 HA SER A 73 1.237 3.264 2.267 1.00 0.00 H new ATOM 0 HB2 SER A 73 1.736 2.364 4.526 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.276 0.759 3.995 1.00 0.00 H new ATOM 0 HG SER A 73 3.252 2.221 2.558 1.00 0.00 H new ATOM 1177 N ARG A 74 1.682 1.345 0.534 1.00 0.00 N ATOM 1178 CA ARG A 74 1.755 0.428 -0.614 1.00 0.00 C ATOM 1179 C ARG A 74 3.038 -0.396 -0.520 1.00 0.00 C ATOM 1180 O ARG A 74 4.124 0.146 -0.335 1.00 0.00 O ATOM 1181 CB ARG A 74 1.676 1.215 -1.954 1.00 0.00 C ATOM 1182 CG ARG A 74 0.247 1.672 -2.323 1.00 0.00 C ATOM 1183 CD ARG A 74 0.196 2.822 -3.346 1.00 0.00 C ATOM 1184 NE ARG A 74 1.011 2.621 -4.554 1.00 0.00 N ATOM 1185 CZ ARG A 74 1.178 3.553 -5.513 1.00 0.00 C ATOM 1186 NH1 ARG A 74 0.509 4.699 -5.471 1.00 0.00 N ATOM 1187 NH2 ARG A 74 2.010 3.336 -6.518 1.00 0.00 N ATOM 0 H ARG A 74 2.502 1.944 0.632 1.00 0.00 H new ATOM 0 HA ARG A 74 0.903 -0.252 -0.592 1.00 0.00 H new ATOM 0 HB2 ARG A 74 2.322 2.090 -1.890 1.00 0.00 H new ATOM 0 HB3 ARG A 74 2.066 0.589 -2.756 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -0.303 0.820 -2.723 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -0.268 1.985 -1.415 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -0.841 2.973 -3.647 1.00 0.00 H new ATOM 0 HD3 ARG A 74 0.522 3.739 -2.855 1.00 0.00 H new ATOM 0 HE ARG A 74 1.478 1.722 -4.673 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -0.141 4.883 -4.706 1.00 0.00 H new ATOM 0 HH12 ARG A 74 0.645 5.396 -6.203 1.00 0.00 H new ATOM 0 HH21 ARG A 74 2.529 2.460 -6.570 1.00 0.00 H new ATOM 0 HH22 ARG A 74 2.132 4.045 -7.241 1.00 0.00 H new ATOM 1201 N ILE A 75 2.884 -1.712 -0.625 1.00 0.00 N ATOM 1202 CA ILE A 75 3.984 -2.664 -0.545 1.00 0.00 C ATOM 1203 C ILE A 75 4.581 -2.875 -1.945 1.00 0.00 C ATOM 1204 O ILE A 75 4.046 -3.653 -2.748 1.00 0.00 O ATOM 1205 CB ILE A 75 3.482 -4.034 0.041 1.00 0.00 C ATOM 1206 CG1 ILE A 75 2.771 -3.844 1.419 1.00 0.00 C ATOM 1207 CG2 ILE A 75 4.638 -5.049 0.150 1.00 0.00 C ATOM 1208 CD1 ILE A 75 3.635 -3.268 2.525 1.00 0.00 C ATOM 0 H ILE A 75 1.976 -2.153 -0.770 1.00 0.00 H new ATOM 0 HA ILE A 75 4.751 -2.266 0.119 1.00 0.00 H new ATOM 0 HB ILE A 75 2.746 -4.436 -0.655 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.910 -3.191 1.277 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.388 -4.810 1.747 1.00 0.00 H new ATOM 0 HG21 ILE A 75 4.261 -5.987 0.558 1.00 0.00 H new ATOM 0 HG22 ILE A 75 5.060 -5.227 -0.839 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.411 -4.651 0.808 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.045 -3.177 3.437 1.00 0.00 H new ATOM 0 HD12 ILE A 75 4.483 -3.928 2.705 1.00 0.00 H new ATOM 0 HD13 ILE A 75 3.998 -2.284 2.228 1.00 0.00 H new ATOM 1220 N LYS A 76 5.666 -2.154 -2.260 1.00 0.00 N ATOM 1221 CA LYS A 76 6.387 -2.350 -3.519 1.00 0.00 C ATOM 1222 C LYS A 76 7.538 -3.318 -3.247 1.00 0.00 C ATOM 1223 O LYS A 76 8.479 -2.972 -2.545 1.00 0.00 O ATOM 1224 CB LYS A 76 6.887 -1.008 -4.114 1.00 0.00 C ATOM 1225 CG LYS A 76 7.563 -1.163 -5.497 1.00 0.00 C ATOM 1226 CD LYS A 76 7.839 0.185 -6.203 1.00 0.00 C ATOM 1227 CE LYS A 76 8.773 1.110 -5.408 1.00 0.00 C ATOM 1228 NZ LYS A 76 10.095 0.495 -5.157 1.00 0.00 N ATOM 0 H LYS A 76 6.061 -1.431 -1.659 1.00 0.00 H new ATOM 0 HA LYS A 76 5.718 -2.770 -4.270 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.044 -0.323 -4.205 1.00 0.00 H new ATOM 0 HB3 LYS A 76 7.595 -0.553 -3.421 1.00 0.00 H new ATOM 0 HG2 LYS A 76 8.504 -1.699 -5.375 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.928 -1.776 -6.137 1.00 0.00 H new ATOM 0 HD2 LYS A 76 8.279 -0.009 -7.181 1.00 0.00 H new ATOM 0 HD3 LYS A 76 6.892 0.697 -6.375 1.00 0.00 H new ATOM 0 HE2 LYS A 76 8.907 2.043 -5.955 1.00 0.00 H new ATOM 0 HE3 LYS A 76 8.306 1.363 -4.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 10.671 1.136 -4.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 9.968 -0.408 -4.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 10.576 0.324 -6.063 1.00 0.00 H new ATOM 1242 N VAL A 77 7.423 -4.539 -3.771 1.00 0.00 N ATOM 1243 CA VAL A 77 8.330 -5.654 -3.438 1.00 0.00 C ATOM 1244 C VAL A 77 9.695 -5.474 -4.130 1.00 0.00 C ATOM 1245 O VAL A 77 9.764 -5.301 -5.345 1.00 0.00 O ATOM 1246 CB VAL A 77 7.674 -7.032 -3.819 1.00 0.00 C ATOM 1247 CG1 VAL A 77 8.592 -8.239 -3.484 1.00 0.00 C ATOM 1248 CG2 VAL A 77 6.301 -7.179 -3.122 1.00 0.00 C ATOM 0 H VAL A 77 6.697 -4.790 -4.442 1.00 0.00 H new ATOM 0 HA VAL A 77 8.501 -5.650 -2.362 1.00 0.00 H new ATOM 0 HB VAL A 77 7.531 -7.036 -4.900 1.00 0.00 H new ATOM 0 HG11 VAL A 77 8.092 -9.166 -3.766 1.00 0.00 H new ATOM 0 HG12 VAL A 77 9.528 -8.149 -4.036 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.801 -8.251 -2.414 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.856 -8.136 -3.393 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.435 -7.134 -2.041 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.643 -6.370 -3.440 1.00 0.00 H new ATOM 1258 N SER A 78 10.766 -5.475 -3.322 1.00 0.00 N ATOM 1259 CA SER A 78 12.145 -5.276 -3.794 1.00 0.00 C ATOM 1260 C SER A 78 12.758 -6.597 -4.314 1.00 0.00 C ATOM 1261 O SER A 78 13.653 -6.585 -5.169 1.00 0.00 O ATOM 1262 CB SER A 78 12.997 -4.692 -2.651 1.00 0.00 C ATOM 1263 OG SER A 78 14.295 -4.349 -3.090 1.00 0.00 O ATOM 0 H SER A 78 10.699 -5.615 -2.314 1.00 0.00 H new ATOM 0 HA SER A 78 12.131 -4.575 -4.628 1.00 0.00 H new ATOM 0 HB2 SER A 78 12.505 -3.808 -2.245 1.00 0.00 H new ATOM 0 HB3 SER A 78 13.067 -5.418 -1.841 1.00 0.00 H new ATOM 0 HG SER A 78 14.807 -3.980 -2.340 1.00 0.00 H new ATOM 1269 N THR A 79 12.247 -7.734 -3.803 1.00 0.00 N ATOM 1270 CA THR A 79 12.711 -9.067 -4.196 1.00 0.00 C ATOM 1271 C THR A 79 11.670 -10.114 -3.762 1.00 0.00 C ATOM 1272 O THR A 79 11.160 -10.062 -2.634 1.00 0.00 O ATOM 1273 CB THR A 79 14.142 -9.399 -3.638 1.00 0.00 C ATOM 1274 OG1 THR A 79 14.635 -10.605 -4.238 1.00 0.00 O ATOM 1275 CG2 THR A 79 14.195 -9.521 -2.100 1.00 0.00 C ATOM 0 H THR A 79 11.502 -7.748 -3.107 1.00 0.00 H new ATOM 0 HA THR A 79 12.810 -9.089 -5.281 1.00 0.00 H new ATOM 0 HB THR A 79 14.777 -8.554 -3.904 1.00 0.00 H new ATOM 0 HG1 THR A 79 15.528 -10.804 -3.886 1.00 0.00 H new ATOM 0 HG21 THR A 79 15.214 -9.751 -1.788 1.00 0.00 H new ATOM 0 HG22 THR A 79 13.882 -8.579 -1.649 1.00 0.00 H new ATOM 0 HG23 THR A 79 13.527 -10.319 -1.775 1.00 0.00 H new ATOM 1283 N GLY A 80 11.325 -11.020 -4.692 1.00 0.00 N ATOM 1284 CA GLY A 80 10.296 -12.039 -4.478 1.00 0.00 C ATOM 1285 C GLY A 80 9.644 -12.459 -5.790 1.00 0.00 C ATOM 1286 O GLY A 80 10.190 -12.165 -6.865 1.00 0.00 O ATOM 0 H GLY A 80 11.756 -11.062 -5.615 1.00 0.00 H new ATOM 0 HA2 GLY A 80 10.740 -12.910 -3.996 1.00 0.00 H new ATOM 0 HA3 GLY A 80 9.535 -11.652 -3.800 1.00 0.00 H new ATOM 1290 N PRO A 81 8.452 -13.137 -5.745 1.00 0.00 N ATOM 1291 CA PRO A 81 7.688 -13.507 -6.969 1.00 0.00 C ATOM 1292 C PRO A 81 7.031 -12.275 -7.638 1.00 0.00 C ATOM 1293 O PRO A 81 6.583 -12.341 -8.788 1.00 0.00 O ATOM 1294 CB PRO A 81 6.622 -14.500 -6.432 1.00 0.00 C ATOM 1295 CG PRO A 81 6.395 -14.056 -5.020 1.00 0.00 C ATOM 1296 CD PRO A 81 7.758 -13.609 -4.513 1.00 0.00 C ATOM 0 HA PRO A 81 8.320 -13.935 -7.747 1.00 0.00 H new ATOM 0 HB2 PRO A 81 5.704 -14.455 -7.017 1.00 0.00 H new ATOM 0 HB3 PRO A 81 6.978 -15.530 -6.475 1.00 0.00 H new ATOM 0 HG2 PRO A 81 5.673 -13.241 -4.976 1.00 0.00 H new ATOM 0 HG3 PRO A 81 5.997 -14.868 -4.412 1.00 0.00 H new ATOM 0 HD2 PRO A 81 7.670 -12.814 -3.773 1.00 0.00 H new ATOM 0 HD3 PRO A 81 8.298 -14.428 -4.038 1.00 0.00 H new ATOM 1304 N LEU A 82 6.986 -11.157 -6.890 1.00 0.00 N ATOM 1305 CA LEU A 82 6.392 -9.888 -7.333 1.00 0.00 C ATOM 1306 C LEU A 82 7.438 -8.758 -7.249 1.00 0.00 C ATOM 1307 O LEU A 82 7.095 -7.595 -7.018 1.00 0.00 O ATOM 1308 CB LEU A 82 5.148 -9.586 -6.455 1.00 0.00 C ATOM 1309 CG LEU A 82 3.976 -10.622 -6.565 1.00 0.00 C ATOM 1310 CD1 LEU A 82 2.863 -10.333 -5.550 1.00 0.00 C ATOM 1311 CD2 LEU A 82 3.407 -10.672 -7.997 1.00 0.00 C ATOM 0 H LEU A 82 7.369 -11.112 -5.946 1.00 0.00 H new ATOM 0 HA LEU A 82 6.075 -9.960 -8.373 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.465 -9.531 -5.413 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.766 -8.601 -6.724 1.00 0.00 H new ATOM 0 HG LEU A 82 4.392 -11.601 -6.329 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.070 -11.073 -5.659 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.270 -10.383 -4.540 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.457 -9.337 -5.729 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.596 -11.399 -8.041 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.027 -9.688 -8.272 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.195 -10.964 -8.691 1.00 0.00 H new ATOM 1323 N ALA A 83 8.716 -9.124 -7.476 1.00 0.00 N ATOM 1324 CA ALA A 83 9.849 -8.179 -7.453 1.00 0.00 C ATOM 1325 C ALA A 83 9.719 -7.147 -8.589 1.00 0.00 C ATOM 1326 O ALA A 83 9.567 -7.525 -9.757 1.00 0.00 O ATOM 1327 CB ALA A 83 11.174 -8.945 -7.564 1.00 0.00 C ATOM 0 H ALA A 83 8.991 -10.085 -7.681 1.00 0.00 H new ATOM 0 HA ALA A 83 9.836 -7.640 -6.506 1.00 0.00 H new ATOM 0 HB1 ALA A 83 12.005 -8.240 -7.546 1.00 0.00 H new ATOM 0 HB2 ALA A 83 11.266 -9.636 -6.726 1.00 0.00 H new ATOM 0 HB3 ALA A 83 11.193 -9.505 -8.499 1.00 0.00 H new ATOM 1333 N GLY A 84 9.764 -5.854 -8.226 1.00 0.00 N ATOM 1334 CA GLY A 84 9.607 -4.756 -9.181 1.00 0.00 C ATOM 1335 C GLY A 84 8.144 -4.389 -9.438 1.00 0.00 C ATOM 1336 O GLY A 84 7.847 -3.646 -10.376 1.00 0.00 O ATOM 0 H GLY A 84 9.910 -5.546 -7.264 1.00 0.00 H new ATOM 0 HA2 GLY A 84 10.135 -3.879 -8.807 1.00 0.00 H new ATOM 0 HA3 GLY A 84 10.077 -5.033 -10.125 1.00 0.00 H new ATOM 1340 N ARG A 85 7.222 -4.912 -8.598 1.00 0.00 N ATOM 1341 CA ARG A 85 5.768 -4.660 -8.726 1.00 0.00 C ATOM 1342 C ARG A 85 5.251 -3.982 -7.445 1.00 0.00 C ATOM 1343 O ARG A 85 5.765 -4.248 -6.347 1.00 0.00 O ATOM 1344 CB ARG A 85 5.011 -5.990 -9.003 1.00 0.00 C ATOM 1345 CG ARG A 85 5.630 -6.826 -10.153 1.00 0.00 C ATOM 1346 CD ARG A 85 4.943 -8.186 -10.382 1.00 0.00 C ATOM 1347 NE ARG A 85 5.817 -9.121 -11.129 1.00 0.00 N ATOM 1348 CZ ARG A 85 5.557 -10.418 -11.375 1.00 0.00 C ATOM 1349 NH1 ARG A 85 4.375 -10.953 -11.084 1.00 0.00 N ATOM 1350 NH2 ARG A 85 6.491 -11.174 -11.937 1.00 0.00 N ATOM 0 H ARG A 85 7.464 -5.519 -7.815 1.00 0.00 H new ATOM 0 HA ARG A 85 5.587 -3.994 -9.570 1.00 0.00 H new ATOM 0 HB2 ARG A 85 5.001 -6.590 -8.093 1.00 0.00 H new ATOM 0 HB3 ARG A 85 3.973 -5.764 -9.247 1.00 0.00 H new ATOM 0 HG2 ARG A 85 5.582 -6.247 -11.075 1.00 0.00 H new ATOM 0 HG3 ARG A 85 6.685 -6.996 -9.937 1.00 0.00 H new ATOM 0 HD2 ARG A 85 4.676 -8.626 -9.421 1.00 0.00 H new ATOM 0 HD3 ARG A 85 4.014 -8.037 -10.933 1.00 0.00 H new ATOM 0 HE ARG A 85 6.695 -8.748 -11.489 1.00 0.00 H new ATOM 0 HH11 ARG A 85 3.644 -10.378 -10.666 1.00 0.00 H new ATOM 0 HH12 ARG A 85 4.199 -11.939 -11.279 1.00 0.00 H new ATOM 0 HH21 ARG A 85 7.396 -10.771 -12.178 1.00 0.00 H new ATOM 0 HH22 ARG A 85 6.304 -12.158 -12.128 1.00 0.00 H new ATOM 1364 N VAL A 86 4.225 -3.120 -7.587 1.00 0.00 N ATOM 1365 CA VAL A 86 3.704 -2.285 -6.485 1.00 0.00 C ATOM 1366 C VAL A 86 2.287 -2.745 -6.065 1.00 0.00 C ATOM 1367 O VAL A 86 1.268 -2.434 -6.699 1.00 0.00 O ATOM 1368 CB VAL A 86 3.740 -0.747 -6.841 1.00 0.00 C ATOM 1369 CG1 VAL A 86 3.012 -0.437 -8.170 1.00 0.00 C ATOM 1370 CG2 VAL A 86 3.190 0.110 -5.669 1.00 0.00 C ATOM 0 H VAL A 86 3.733 -2.982 -8.470 1.00 0.00 H new ATOM 0 HA VAL A 86 4.365 -2.422 -5.629 1.00 0.00 H new ATOM 0 HB VAL A 86 4.785 -0.474 -6.990 1.00 0.00 H new ATOM 0 HG11 VAL A 86 3.064 0.633 -8.372 1.00 0.00 H new ATOM 0 HG12 VAL A 86 3.490 -0.983 -8.983 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.968 -0.742 -8.093 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.226 1.165 -5.941 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.159 -0.176 -5.462 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.798 -0.056 -4.780 1.00 0.00 H new ATOM 1380 N LEU A 87 2.256 -3.542 -5.003 1.00 0.00 N ATOM 1381 CA LEU A 87 1.018 -4.046 -4.397 1.00 0.00 C ATOM 1382 C LEU A 87 0.491 -3.017 -3.380 1.00 0.00 C ATOM 1383 O LEU A 87 1.266 -2.344 -2.713 1.00 0.00 O ATOM 1384 CB LEU A 87 1.258 -5.444 -3.743 1.00 0.00 C ATOM 1385 CG LEU A 87 1.837 -6.571 -4.677 1.00 0.00 C ATOM 1386 CD1 LEU A 87 1.082 -6.666 -6.022 1.00 0.00 C ATOM 1387 CD2 LEU A 87 3.355 -6.428 -4.905 1.00 0.00 C ATOM 0 H LEU A 87 3.099 -3.864 -4.528 1.00 0.00 H new ATOM 0 HA LEU A 87 0.260 -4.181 -5.168 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.940 -5.314 -2.903 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.311 -5.795 -3.333 1.00 0.00 H new ATOM 0 HG LEU A 87 1.676 -7.508 -4.144 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.520 -7.458 -6.630 1.00 0.00 H new ATOM 0 HD12 LEU A 87 0.032 -6.891 -5.835 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.161 -5.717 -6.552 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.702 -7.230 -5.556 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.564 -5.466 -5.372 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.874 -6.487 -3.948 1.00 0.00 H new ATOM 1399 N ASN A 88 -0.833 -2.864 -3.317 1.00 0.00 N ATOM 1400 CA ASN A 88 -1.522 -1.915 -2.415 1.00 0.00 C ATOM 1401 C ASN A 88 -2.119 -2.695 -1.244 1.00 0.00 C ATOM 1402 O ASN A 88 -2.631 -3.794 -1.451 1.00 0.00 O ATOM 1403 CB ASN A 88 -2.657 -1.149 -3.174 1.00 0.00 C ATOM 1404 CG ASN A 88 -2.180 -0.111 -4.208 1.00 0.00 C ATOM 1405 OD1 ASN A 88 -1.023 -0.325 -4.831 1.00 0.00 O flip ATOM 1406 ND2 ASN A 88 -2.846 0.899 -4.440 1.00 0.00 N flip ATOM 0 H ASN A 88 -1.476 -3.402 -3.898 1.00 0.00 H new ATOM 0 HA ASN A 88 -0.802 -1.181 -2.051 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -3.287 -1.879 -3.682 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -3.284 -0.643 -2.440 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -3.731 1.049 -3.955 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -2.513 1.585 -5.117 1.00 0.00 H new ATOM 1413 N ILE A 89 -2.105 -2.115 -0.029 1.00 0.00 N ATOM 1414 CA ILE A 89 -2.650 -2.794 1.170 1.00 0.00 C ATOM 1415 C ILE A 89 -4.176 -2.641 1.174 1.00 0.00 C ATOM 1416 O ILE A 89 -4.699 -1.528 1.017 1.00 0.00 O ATOM 1417 CB ILE A 89 -2.053 -2.216 2.505 1.00 0.00 C ATOM 1418 CG1 ILE A 89 -0.501 -2.320 2.476 1.00 0.00 C ATOM 1419 CG2 ILE A 89 -2.640 -2.931 3.765 1.00 0.00 C ATOM 1420 CD1 ILE A 89 0.188 -1.755 3.700 1.00 0.00 C ATOM 0 H ILE A 89 -1.726 -1.185 0.152 1.00 0.00 H new ATOM 0 HA ILE A 89 -2.369 -3.846 1.122 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.338 -1.166 2.577 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -0.221 -3.368 2.368 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.131 -1.799 1.593 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.201 -2.501 4.665 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -3.721 -2.796 3.789 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -2.408 -3.995 3.721 1.00 0.00 H new ATOM 0 HD11 ILE A 89 1.267 -1.869 3.595 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -0.057 -0.698 3.800 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.149 -2.291 4.587 1.00 0.00 H new ATOM 1432 N ILE A 90 -4.873 -3.766 1.348 1.00 0.00 N ATOM 1433 CA ILE A 90 -6.341 -3.834 1.316 1.00 0.00 C ATOM 1434 C ILE A 90 -6.864 -4.190 2.720 1.00 0.00 C ATOM 1435 O ILE A 90 -6.343 -5.103 3.377 1.00 0.00 O ATOM 1436 CB ILE A 90 -6.844 -4.868 0.228 1.00 0.00 C ATOM 1437 CG1 ILE A 90 -6.126 -6.244 0.392 1.00 0.00 C ATOM 1438 CG2 ILE A 90 -6.627 -4.304 -1.206 1.00 0.00 C ATOM 1439 CD1 ILE A 90 -6.690 -7.367 -0.439 1.00 0.00 C ATOM 0 H ILE A 90 -4.430 -4.669 1.518 1.00 0.00 H new ATOM 0 HA ILE A 90 -6.738 -2.860 1.030 1.00 0.00 H new ATOM 0 HB ILE A 90 -7.912 -5.024 0.378 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -5.074 -6.119 0.138 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -6.168 -6.534 1.442 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -6.979 -5.029 -1.939 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -7.184 -3.374 -1.319 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.566 -4.113 -1.365 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.122 -8.278 -0.253 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -7.734 -7.529 -0.171 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -6.623 -7.107 -1.495 1.00 0.00 H new ATOM 1451 N GLY A 91 -7.878 -3.437 3.178 1.00 0.00 N ATOM 1452 CA GLY A 91 -8.455 -3.616 4.505 1.00 0.00 C ATOM 1453 C GLY A 91 -7.612 -2.936 5.580 1.00 0.00 C ATOM 1454 O GLY A 91 -7.871 -1.782 5.935 1.00 0.00 O ATOM 0 H GLY A 91 -8.314 -2.692 2.635 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -9.465 -3.207 4.521 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -8.538 -4.680 4.726 1.00 0.00 H new ATOM 1458 N GLN A 92 -6.570 -3.640 6.060 1.00 0.00 N ATOM 1459 CA GLN A 92 -5.722 -3.187 7.185 1.00 0.00 C ATOM 1460 C GLN A 92 -4.467 -4.083 7.313 1.00 0.00 C ATOM 1461 O GLN A 92 -4.466 -5.196 6.796 1.00 0.00 O ATOM 1462 CB GLN A 92 -6.530 -3.232 8.520 1.00 0.00 C ATOM 1463 CG GLN A 92 -6.983 -4.651 8.955 1.00 0.00 C ATOM 1464 CD GLN A 92 -7.862 -4.663 10.214 1.00 0.00 C ATOM 1465 OE1 GLN A 92 -7.765 -3.778 11.063 1.00 0.00 O ATOM 1466 NE2 GLN A 92 -8.707 -5.680 10.360 1.00 0.00 N ATOM 0 H GLN A 92 -6.289 -4.543 5.679 1.00 0.00 H new ATOM 0 HA GLN A 92 -5.409 -2.162 6.986 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -5.919 -2.801 9.313 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -7.412 -2.599 8.417 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -7.533 -5.114 8.135 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -6.100 -5.265 9.134 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -8.767 -6.400 9.640 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -9.295 -5.739 11.192 1.00 0.00 H new ATOM 1475 N PRO A 93 -3.361 -3.596 7.959 1.00 0.00 N ATOM 1476 CA PRO A 93 -2.316 -4.491 8.515 1.00 0.00 C ATOM 1477 C PRO A 93 -2.799 -5.121 9.846 1.00 0.00 C ATOM 1478 O PRO A 93 -3.586 -4.506 10.585 1.00 0.00 O ATOM 1479 CB PRO A 93 -1.111 -3.542 8.723 1.00 0.00 C ATOM 1480 CG PRO A 93 -1.734 -2.199 8.971 1.00 0.00 C ATOM 1481 CD PRO A 93 -3.003 -2.160 8.134 1.00 0.00 C ATOM 0 HA PRO A 93 -2.069 -5.335 7.871 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -0.497 -3.858 9.567 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -0.463 -3.524 7.847 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -1.961 -2.064 10.029 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -1.055 -1.396 8.686 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -3.797 -1.609 8.638 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -2.834 -1.671 7.175 1.00 0.00 H new ATOM 1489 N LEU A 94 -2.345 -6.345 10.140 1.00 0.00 N ATOM 1490 CA LEU A 94 -2.776 -7.091 11.342 1.00 0.00 C ATOM 1491 C LEU A 94 -1.608 -7.994 11.799 1.00 0.00 C ATOM 1492 O LEU A 94 -1.097 -8.749 10.981 1.00 0.00 O ATOM 1493 CB LEU A 94 -4.069 -7.938 11.012 1.00 0.00 C ATOM 1494 CG LEU A 94 -5.111 -8.167 12.168 1.00 0.00 C ATOM 1495 CD1 LEU A 94 -4.547 -8.998 13.342 1.00 0.00 C ATOM 1496 CD2 LEU A 94 -5.694 -6.823 12.662 1.00 0.00 C ATOM 0 H LEU A 94 -1.674 -6.849 9.560 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.031 -6.405 12.150 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -4.587 -7.450 10.186 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -3.746 -8.915 10.653 1.00 0.00 H new ATOM 0 HG LEU A 94 -5.919 -8.760 11.740 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -5.316 -9.119 14.105 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.239 -9.978 12.979 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -3.687 -8.484 13.772 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -6.412 -7.009 13.461 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.888 -6.193 13.038 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.194 -6.318 11.836 1.00 0.00 H new ATOM 1508 N PRO A 95 -1.134 -7.907 13.091 1.00 0.00 N ATOM 1509 CA PRO A 95 -0.110 -8.851 13.635 1.00 0.00 C ATOM 1510 C PRO A 95 -0.559 -10.331 13.522 1.00 0.00 C ATOM 1511 O PRO A 95 -1.762 -10.615 13.538 1.00 0.00 O ATOM 1512 CB PRO A 95 0.031 -8.416 15.125 1.00 0.00 C ATOM 1513 CG PRO A 95 -0.431 -6.987 15.154 1.00 0.00 C ATOM 1514 CD PRO A 95 -1.523 -6.883 14.108 1.00 0.00 C ATOM 0 HA PRO A 95 0.829 -8.804 13.083 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -0.577 -9.041 15.779 1.00 0.00 H new ATOM 0 HB3 PRO A 95 1.062 -8.505 15.467 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -0.808 -6.718 16.141 1.00 0.00 H new ATOM 0 HG3 PRO A 95 0.390 -6.306 14.930 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -2.505 -7.092 14.532 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -1.569 -5.884 13.674 1.00 0.00 H new ATOM 1522 N ASP A 96 0.401 -11.271 13.427 1.00 0.00 N ATOM 1523 CA ASP A 96 0.078 -12.718 13.336 1.00 0.00 C ATOM 1524 C ASP A 96 -0.442 -13.245 14.698 1.00 0.00 C ATOM 1525 O ASP A 96 -0.471 -12.502 15.692 1.00 0.00 O ATOM 1526 CB ASP A 96 1.317 -13.531 12.877 1.00 0.00 C ATOM 1527 CG ASP A 96 2.394 -13.633 13.967 1.00 0.00 C ATOM 1528 OD1 ASP A 96 2.941 -12.595 14.343 1.00 0.00 O ATOM 1529 OD2 ASP A 96 2.668 -14.738 14.466 1.00 0.00 O ATOM 0 H ASP A 96 1.399 -11.063 13.411 1.00 0.00 H new ATOM 0 HA ASP A 96 -0.708 -12.845 12.592 1.00 0.00 H new ATOM 0 HB2 ASP A 96 1.002 -14.534 12.588 1.00 0.00 H new ATOM 0 HB3 ASP A 96 1.746 -13.063 11.991 1.00 0.00 H new ATOM 1534 N ALA A 97 -0.807 -14.535 14.730 1.00 0.00 N ATOM 1535 CA ALA A 97 -1.380 -15.197 15.920 1.00 0.00 C ATOM 1536 C ALA A 97 -0.397 -15.225 17.113 1.00 0.00 C ATOM 1537 O ALA A 97 -0.812 -15.077 18.272 1.00 0.00 O ATOM 1538 CB ALA A 97 -1.833 -16.619 15.546 1.00 0.00 C ATOM 0 H ALA A 97 -0.714 -15.156 13.927 1.00 0.00 H new ATOM 0 HA ALA A 97 -2.241 -14.614 16.247 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -2.256 -17.109 16.423 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -2.587 -16.566 14.761 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -0.977 -17.191 15.188 1.00 0.00 H new ATOM 1544 N ALA A 98 0.903 -15.401 16.817 1.00 0.00 N ATOM 1545 CA ALA A 98 1.962 -15.509 17.850 1.00 0.00 C ATOM 1546 C ALA A 98 2.572 -14.130 18.200 1.00 0.00 C ATOM 1547 O ALA A 98 3.274 -14.015 19.211 1.00 0.00 O ATOM 1548 CB ALA A 98 3.067 -16.474 17.372 1.00 0.00 C ATOM 0 H ALA A 98 1.253 -15.473 15.862 1.00 0.00 H new ATOM 0 HA ALA A 98 1.502 -15.902 18.756 1.00 0.00 H new ATOM 0 HB1 ALA A 98 3.841 -16.548 18.136 1.00 0.00 H new ATOM 0 HB2 ALA A 98 2.637 -17.460 17.194 1.00 0.00 H new ATOM 0 HB3 ALA A 98 3.505 -16.097 16.448 1.00 0.00 H new ATOM 1554 N ARG A 99 2.284 -13.101 17.360 1.00 0.00 N ATOM 1555 CA ARG A 99 2.833 -11.722 17.491 1.00 0.00 C ATOM 1556 C ARG A 99 4.376 -11.711 17.344 1.00 0.00 C ATOM 1557 O ARG A 99 5.075 -10.886 17.947 1.00 0.00 O ATOM 1558 CB ARG A 99 2.356 -10.996 18.799 1.00 0.00 C ATOM 1559 CG ARG A 99 0.868 -10.558 18.801 1.00 0.00 C ATOM 1560 CD ARG A 99 -0.126 -11.726 18.905 1.00 0.00 C ATOM 1561 NE ARG A 99 -1.527 -11.261 18.960 1.00 0.00 N ATOM 1562 CZ ARG A 99 -2.542 -11.919 19.538 1.00 0.00 C ATOM 1563 NH1 ARG A 99 -2.348 -13.112 20.091 1.00 0.00 N ATOM 1564 NH2 ARG A 99 -3.754 -11.390 19.539 1.00 0.00 N ATOM 0 H ARG A 99 1.657 -13.206 16.563 1.00 0.00 H new ATOM 0 HA ARG A 99 2.422 -11.142 16.664 1.00 0.00 H new ATOM 0 HB2 ARG A 99 2.525 -11.660 19.647 1.00 0.00 H new ATOM 0 HB3 ARG A 99 2.979 -10.115 18.955 1.00 0.00 H new ATOM 0 HG2 ARG A 99 0.701 -9.877 19.635 1.00 0.00 H new ATOM 0 HG3 ARG A 99 0.663 -10.000 17.888 1.00 0.00 H new ATOM 0 HD2 ARG A 99 0.002 -12.388 18.048 1.00 0.00 H new ATOM 0 HD3 ARG A 99 0.096 -12.312 19.797 1.00 0.00 H new ATOM 0 HE ARG A 99 -1.740 -10.365 18.522 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -1.420 -13.535 20.078 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -3.127 -13.604 20.528 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -3.915 -10.483 19.101 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -4.528 -11.889 19.978 1.00 0.00 H new ATOM 1578 N THR A 100 4.881 -12.608 16.480 1.00 0.00 N ATOM 1579 CA THR A 100 6.313 -12.701 16.139 1.00 0.00 C ATOM 1580 C THR A 100 6.610 -11.970 14.807 1.00 0.00 C ATOM 1581 O THR A 100 7.763 -11.926 14.367 1.00 0.00 O ATOM 1582 CB THR A 100 6.765 -14.205 16.048 1.00 0.00 C ATOM 1583 OG1 THR A 100 8.191 -14.301 15.865 1.00 0.00 O ATOM 1584 CG2 THR A 100 6.062 -14.955 14.899 1.00 0.00 C ATOM 0 H THR A 100 4.304 -13.294 15.994 1.00 0.00 H new ATOM 0 HA THR A 100 6.881 -12.215 16.932 1.00 0.00 H new ATOM 0 HB THR A 100 6.480 -14.672 16.991 1.00 0.00 H new ATOM 0 HG1 THR A 100 8.524 -13.476 15.454 1.00 0.00 H new ATOM 0 HG21 THR A 100 6.406 -15.989 14.876 1.00 0.00 H new ATOM 0 HG22 THR A 100 4.984 -14.934 15.057 1.00 0.00 H new ATOM 0 HG23 THR A 100 6.299 -14.472 13.951 1.00 0.00 H new ATOM 1592 N ARG A 101 5.566 -11.382 14.195 1.00 0.00 N ATOM 1593 CA ARG A 101 5.641 -10.749 12.870 1.00 0.00 C ATOM 1594 C ARG A 101 4.335 -9.956 12.608 1.00 0.00 C ATOM 1595 O ARG A 101 3.423 -9.925 13.449 1.00 0.00 O ATOM 1596 CB ARG A 101 5.869 -11.808 11.748 1.00 0.00 C ATOM 1597 CG ARG A 101 4.642 -12.692 11.465 1.00 0.00 C ATOM 1598 CD ARG A 101 4.813 -13.610 10.269 1.00 0.00 C ATOM 1599 NE ARG A 101 5.867 -14.608 10.479 1.00 0.00 N ATOM 1600 CZ ARG A 101 5.815 -15.883 10.091 1.00 0.00 C ATOM 1601 NH1 ARG A 101 4.757 -16.347 9.428 1.00 0.00 N ATOM 1602 NH2 ARG A 101 6.832 -16.684 10.359 1.00 0.00 N ATOM 0 H ARG A 101 4.637 -11.334 14.613 1.00 0.00 H new ATOM 0 HA ARG A 101 6.492 -10.068 12.856 1.00 0.00 H new ATOM 0 HB2 ARG A 101 6.154 -11.294 10.830 1.00 0.00 H new ATOM 0 HB3 ARG A 101 6.707 -12.446 12.029 1.00 0.00 H new ATOM 0 HG2 ARG A 101 4.429 -13.296 12.347 1.00 0.00 H new ATOM 0 HG3 ARG A 101 3.775 -12.052 11.300 1.00 0.00 H new ATOM 0 HD2 ARG A 101 3.870 -14.118 10.066 1.00 0.00 H new ATOM 0 HD3 ARG A 101 5.050 -13.014 9.388 1.00 0.00 H new ATOM 0 HE ARG A 101 6.711 -14.301 10.963 1.00 0.00 H new ATOM 0 HH11 ARG A 101 3.977 -15.726 9.213 1.00 0.00 H new ATOM 0 HH12 ARG A 101 4.727 -17.324 9.135 1.00 0.00 H new ATOM 0 HH21 ARG A 101 7.646 -16.325 10.858 1.00 0.00 H new ATOM 0 HH22 ARG A 101 6.803 -17.661 10.067 1.00 0.00 H new ATOM 1616 N LEU A 102 4.237 -9.362 11.420 1.00 0.00 N ATOM 1617 CA LEU A 102 3.095 -8.538 11.015 1.00 0.00 C ATOM 1618 C LEU A 102 2.543 -9.081 9.677 1.00 0.00 C ATOM 1619 O LEU A 102 3.230 -9.016 8.657 1.00 0.00 O ATOM 1620 CB LEU A 102 3.552 -7.033 10.891 1.00 0.00 C ATOM 1621 CG LEU A 102 2.614 -5.950 11.509 1.00 0.00 C ATOM 1622 CD1 LEU A 102 1.203 -5.974 10.885 1.00 0.00 C ATOM 1623 CD2 LEU A 102 2.569 -6.077 13.051 1.00 0.00 C ATOM 0 H LEU A 102 4.957 -9.439 10.701 1.00 0.00 H new ATOM 0 HA LEU A 102 2.301 -8.583 11.760 1.00 0.00 H new ATOM 0 HB2 LEU A 102 4.532 -6.938 11.359 1.00 0.00 H new ATOM 0 HB3 LEU A 102 3.680 -6.805 9.833 1.00 0.00 H new ATOM 0 HG LEU A 102 3.036 -4.974 11.268 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.587 -5.203 11.348 1.00 0.00 H new ATOM 0 HD12 LEU A 102 1.276 -5.786 9.814 1.00 0.00 H new ATOM 0 HD13 LEU A 102 0.748 -6.950 11.052 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.909 -5.312 13.460 1.00 0.00 H new ATOM 0 HD22 LEU A 102 2.194 -7.063 13.324 1.00 0.00 H new ATOM 0 HD23 LEU A 102 3.572 -5.945 13.456 1.00 0.00 H new ATOM 1635 N GLU A 103 1.317 -9.642 9.695 1.00 0.00 N ATOM 1636 CA GLU A 103 0.622 -10.079 8.469 1.00 0.00 C ATOM 1637 C GLU A 103 0.139 -8.846 7.693 1.00 0.00 C ATOM 1638 O GLU A 103 -0.634 -8.034 8.220 1.00 0.00 O ATOM 1639 CB GLU A 103 -0.600 -10.989 8.790 1.00 0.00 C ATOM 1640 CG GLU A 103 -1.446 -11.368 7.544 1.00 0.00 C ATOM 1641 CD GLU A 103 -2.719 -12.172 7.863 1.00 0.00 C ATOM 1642 OE1 GLU A 103 -3.507 -11.747 8.742 1.00 0.00 O ATOM 1643 OE2 GLU A 103 -2.955 -13.220 7.223 1.00 0.00 O ATOM 0 H GLU A 103 0.786 -9.803 10.551 1.00 0.00 H new ATOM 0 HA GLU A 103 1.328 -10.657 7.872 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -0.245 -11.902 9.268 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -1.240 -10.480 9.511 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -1.729 -10.455 7.020 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -0.826 -11.948 6.861 1.00 0.00 H new ATOM 1650 N ILE A 104 0.618 -8.688 6.458 1.00 0.00 N ATOM 1651 CA ILE A 104 0.140 -7.639 5.552 1.00 0.00 C ATOM 1652 C ILE A 104 -0.665 -8.294 4.421 1.00 0.00 C ATOM 1653 O ILE A 104 -0.142 -9.126 3.676 1.00 0.00 O ATOM 1654 CB ILE A 104 1.333 -6.798 4.947 1.00 0.00 C ATOM 1655 CG1 ILE A 104 2.336 -6.353 6.059 1.00 0.00 C ATOM 1656 CG2 ILE A 104 0.798 -5.567 4.171 1.00 0.00 C ATOM 1657 CD1 ILE A 104 1.747 -5.474 7.146 1.00 0.00 C ATOM 0 H ILE A 104 1.345 -9.280 6.058 1.00 0.00 H new ATOM 0 HA ILE A 104 -0.488 -6.951 6.118 1.00 0.00 H new ATOM 0 HB ILE A 104 1.871 -7.440 4.249 1.00 0.00 H new ATOM 0 HG12 ILE A 104 2.758 -7.244 6.524 1.00 0.00 H new ATOM 0 HG13 ILE A 104 3.161 -5.818 5.589 1.00 0.00 H new ATOM 0 HG21 ILE A 104 1.636 -5.002 3.763 1.00 0.00 H new ATOM 0 HG22 ILE A 104 0.155 -5.901 3.357 1.00 0.00 H new ATOM 0 HG23 ILE A 104 0.226 -4.931 4.847 1.00 0.00 H new ATOM 0 HD11 ILE A 104 2.523 -5.220 7.869 1.00 0.00 H new ATOM 0 HD12 ILE A 104 1.352 -4.561 6.701 1.00 0.00 H new ATOM 0 HD13 ILE A 104 0.942 -6.009 7.650 1.00 0.00 H new ATOM 1669 N LEU A 105 -1.944 -7.945 4.310 1.00 0.00 N ATOM 1670 CA LEU A 105 -2.789 -8.399 3.202 1.00 0.00 C ATOM 1671 C LEU A 105 -2.838 -7.270 2.175 1.00 0.00 C ATOM 1672 O LEU A 105 -3.028 -6.091 2.514 1.00 0.00 O ATOM 1673 CB LEU A 105 -4.214 -8.865 3.663 1.00 0.00 C ATOM 1674 CG LEU A 105 -4.972 -7.968 4.706 1.00 0.00 C ATOM 1675 CD1 LEU A 105 -6.493 -8.230 4.676 1.00 0.00 C ATOM 1676 CD2 LEU A 105 -4.428 -8.182 6.148 1.00 0.00 C ATOM 0 H LEU A 105 -2.424 -7.344 4.979 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.356 -9.293 2.753 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -4.842 -8.952 2.776 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -4.120 -9.865 4.086 1.00 0.00 H new ATOM 0 HG LEU A 105 -4.791 -6.932 4.419 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -6.987 -7.593 5.410 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -6.881 -8.007 3.682 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -6.687 -9.276 4.915 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -4.976 -7.545 6.842 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.557 -9.226 6.434 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -3.369 -7.925 6.179 1.00 0.00 H new ATOM 1688 N CYS A 106 -2.646 -7.651 0.924 1.00 0.00 N ATOM 1689 CA CYS A 106 -2.452 -6.731 -0.192 1.00 0.00 C ATOM 1690 C CYS A 106 -3.099 -7.316 -1.434 1.00 0.00 C ATOM 1691 O CYS A 106 -3.637 -8.414 -1.401 1.00 0.00 O ATOM 1692 CB CYS A 106 -0.949 -6.443 -0.443 1.00 0.00 C ATOM 1693 SG CYS A 106 -0.097 -5.709 0.965 1.00 0.00 S ATOM 0 H CYS A 106 -2.619 -8.632 0.646 1.00 0.00 H new ATOM 0 HA CYS A 106 -2.922 -5.779 0.055 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -0.451 -7.375 -0.710 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -0.856 -5.775 -1.299 1.00 0.00 H new ATOM 0 HG CYS A 106 0.312 -4.516 0.651 1.00 0.00 H new ATOM 1699 N ARG A 107 -3.113 -6.531 -2.488 1.00 0.00 N ATOM 1700 CA ARG A 107 -3.532 -6.955 -3.829 1.00 0.00 C ATOM 1701 C ARG A 107 -2.752 -6.123 -4.860 1.00 0.00 C ATOM 1702 O ARG A 107 -2.148 -5.118 -4.486 1.00 0.00 O ATOM 1703 CB ARG A 107 -5.069 -6.750 -3.963 1.00 0.00 C ATOM 1704 CG ARG A 107 -5.666 -7.114 -5.336 1.00 0.00 C ATOM 1705 CD ARG A 107 -7.194 -6.974 -5.392 1.00 0.00 C ATOM 1706 NE ARG A 107 -7.697 -7.205 -6.759 1.00 0.00 N ATOM 1707 CZ ARG A 107 -7.880 -8.405 -7.331 1.00 0.00 C ATOM 1708 NH1 ARG A 107 -7.675 -9.534 -6.661 1.00 0.00 N ATOM 1709 NH2 ARG A 107 -8.286 -8.462 -8.584 1.00 0.00 N ATOM 0 H ARG A 107 -2.828 -5.552 -2.448 1.00 0.00 H new ATOM 0 HA ARG A 107 -3.318 -8.010 -4.001 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -5.566 -7.348 -3.199 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -5.299 -5.706 -3.751 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -5.222 -6.474 -6.098 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -5.393 -8.140 -5.582 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -7.653 -7.686 -4.707 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -7.484 -5.978 -5.058 1.00 0.00 H new ATOM 0 HE ARG A 107 -7.925 -6.382 -7.317 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -7.371 -9.502 -5.688 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -7.822 -10.433 -7.120 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -8.456 -7.602 -9.105 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -8.430 -9.367 -9.033 1.00 0.00 H new ATOM 1723 N GLU A 108 -2.712 -6.576 -6.132 1.00 0.00 N ATOM 1724 CA GLU A 108 -2.206 -5.765 -7.262 1.00 0.00 C ATOM 1725 C GLU A 108 -2.778 -4.323 -7.215 1.00 0.00 C ATOM 1726 O GLU A 108 -3.948 -4.130 -6.855 1.00 0.00 O ATOM 1727 CB GLU A 108 -2.555 -6.445 -8.611 1.00 0.00 C ATOM 1728 CG GLU A 108 -1.973 -5.724 -9.841 1.00 0.00 C ATOM 1729 CD GLU A 108 -2.454 -6.301 -11.177 1.00 0.00 C ATOM 1730 OE1 GLU A 108 -3.602 -6.001 -11.582 1.00 0.00 O ATOM 1731 OE2 GLU A 108 -1.704 -7.067 -11.821 1.00 0.00 O ATOM 0 H GLU A 108 -3.027 -7.507 -6.404 1.00 0.00 H new ATOM 0 HA GLU A 108 -1.122 -5.698 -7.174 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -2.187 -7.471 -8.596 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -3.639 -6.496 -8.711 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -2.241 -4.669 -9.793 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -0.885 -5.778 -9.802 1.00 0.00 H new ATOM 1738 N GLY A 109 -1.954 -3.330 -7.607 1.00 0.00 N ATOM 1739 CA GLY A 109 -2.290 -1.915 -7.434 1.00 0.00 C ATOM 1740 C GLY A 109 -3.095 -1.346 -8.592 1.00 0.00 C ATOM 1741 O GLY A 109 -2.740 -0.310 -9.168 1.00 0.00 O ATOM 0 H GLY A 109 -1.048 -3.491 -8.047 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -2.857 -1.793 -6.511 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -1.370 -1.341 -7.322 1.00 0.00 H new