USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 611 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 74 ASN : amide:sc= -1.26 X(o=-0.5,f=-0.73) USER MOD Set 1.2: A 93 SER OG : rot 78:sc= 0.765 USER MOD Set 2.1: A 32 GLN : amide:sc= -0.0186 X(o=-0.019,f=-0.11) USER MOD Set 2.2: A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0602 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 59:sc= 0.127 USER MOD Single : A 34 GLN : amide:sc= -2.83! C(o=-2.8!,f=-2.7!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0.0536 USER MOD Single : A 61 CYS SG : rot -75:sc= -0.806! USER MOD Single : A 65 GLN : amide:sc= -0.0194 X(o=-0.019,f=0) USER MOD Single : A 71 MET CE :methyl -152:sc= -0.279 (180deg=-1.39!) USER MOD Single : A 78 THR OG1 : rot 137:sc= -0.522 USER MOD Single : A 81 SER OG : rot -106:sc= 0.448 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.0214 X(o=-0.021,f=-0.48) USER MOD Single : A 88 GLN : amide:sc= -0.47 X(o=-0.47,f=-0.46) USER MOD Single : A 94 SER OG : rot -68:sc= 1.05 USER MOD Single : A 96 THR OG1 : rot -23:sc= 0.502 USER MOD Single : A 97 SER OG : rot 180:sc= -0.212 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot -116:sc= 0.262 USER MOD ----------------------------------------------------------------- ATOM 132 N HIS A 13 13.876 -11.139 -2.914 1.00 0.00 N ATOM 133 CA HIS A 13 13.772 -10.253 -1.767 1.00 0.00 C ATOM 134 C HIS A 13 12.696 -9.197 -2.030 1.00 0.00 C ATOM 135 O HIS A 13 12.252 -9.027 -3.165 1.00 0.00 O ATOM 136 CB HIS A 13 15.132 -9.641 -1.428 1.00 0.00 C ATOM 137 CG HIS A 13 15.688 -8.743 -2.506 1.00 0.00 C ATOM 138 ND1 HIS A 13 16.492 -9.210 -3.531 1.00 0.00 N ATOM 139 CD2 HIS A 13 15.546 -7.401 -2.709 1.00 0.00 C ATOM 140 CE1 HIS A 13 16.814 -8.187 -4.309 1.00 0.00 C ATOM 141 NE2 HIS A 13 16.228 -7.067 -3.798 1.00 0.00 N ATOM 0 HA HIS A 13 13.466 -10.823 -0.890 1.00 0.00 H new ATOM 0 HB2 HIS A 13 15.041 -9.069 -0.504 1.00 0.00 H new ATOM 0 HB3 HIS A 13 15.843 -10.445 -1.237 1.00 0.00 H new ATOM 0 HD2 HIS A 13 14.976 -6.725 -2.089 1.00 0.00 H new ATOM 0 HE1 HIS A 13 17.432 -8.232 -5.193 1.00 0.00 H new ATOM 0 HE2 HIS A 13 16.301 -6.127 -4.188 1.00 0.00 H new ATOM 149 N THR A 14 12.308 -8.515 -0.962 1.00 0.00 N ATOM 150 CA THR A 14 11.293 -7.481 -1.064 1.00 0.00 C ATOM 151 C THR A 14 11.793 -6.180 -0.432 1.00 0.00 C ATOM 152 O THR A 14 12.685 -6.199 0.414 1.00 0.00 O ATOM 153 CB THR A 14 10.010 -8.013 -0.423 1.00 0.00 C ATOM 154 OG1 THR A 14 10.468 -8.777 0.689 1.00 0.00 O ATOM 155 CG2 THR A 14 9.294 -9.036 -1.308 1.00 0.00 C ATOM 0 H THR A 14 12.678 -8.658 -0.022 1.00 0.00 H new ATOM 0 HA THR A 14 11.078 -7.239 -2.105 1.00 0.00 H new ATOM 0 HB THR A 14 9.338 -7.181 -0.213 1.00 0.00 H new ATOM 0 HG1 THR A 14 9.699 -9.158 1.163 1.00 0.00 H new ATOM 0 HG21 THR A 14 8.390 -9.382 -0.806 1.00 0.00 H new ATOM 0 HG22 THR A 14 9.027 -8.572 -2.258 1.00 0.00 H new ATOM 0 HG23 THR A 14 9.954 -9.884 -1.491 1.00 0.00 H new ATOM 163 N GLU A 15 11.196 -5.080 -0.869 1.00 0.00 N ATOM 164 CA GLU A 15 11.569 -3.773 -0.357 1.00 0.00 C ATOM 165 C GLU A 15 10.325 -3.003 0.090 1.00 0.00 C ATOM 166 O GLU A 15 9.241 -3.192 -0.460 1.00 0.00 O ATOM 167 CB GLU A 15 12.358 -2.980 -1.401 1.00 0.00 C ATOM 168 CG GLU A 15 13.783 -3.521 -1.538 1.00 0.00 C ATOM 169 CD GLU A 15 14.691 -2.504 -2.234 1.00 0.00 C ATOM 170 OE1 GLU A 15 14.168 -1.783 -3.111 1.00 0.00 O ATOM 171 OE2 GLU A 15 15.887 -2.470 -1.872 1.00 0.00 O ATOM 0 H GLU A 15 10.457 -5.068 -1.572 1.00 0.00 H new ATOM 0 HA GLU A 15 12.215 -3.915 0.509 1.00 0.00 H new ATOM 0 HB2 GLU A 15 11.850 -3.034 -2.364 1.00 0.00 H new ATOM 0 HB3 GLU A 15 12.390 -1.928 -1.116 1.00 0.00 H new ATOM 0 HG2 GLU A 15 14.183 -3.756 -0.552 1.00 0.00 H new ATOM 0 HG3 GLU A 15 13.770 -4.451 -2.106 1.00 0.00 H new ATOM 178 N THR A 16 10.522 -2.150 1.085 1.00 0.00 N ATOM 179 CA THR A 16 9.429 -1.351 1.613 1.00 0.00 C ATOM 180 C THR A 16 9.596 0.115 1.208 1.00 0.00 C ATOM 181 O THR A 16 10.716 0.619 1.136 1.00 0.00 O ATOM 182 CB THR A 16 9.378 -1.560 3.128 1.00 0.00 C ATOM 183 OG1 THR A 16 10.729 -1.843 3.484 1.00 0.00 O ATOM 184 CG2 THR A 16 8.617 -2.829 3.518 1.00 0.00 C ATOM 0 H THR A 16 11.422 -1.995 1.539 1.00 0.00 H new ATOM 0 HA THR A 16 8.473 -1.665 1.195 1.00 0.00 H new ATOM 0 HB THR A 16 8.909 -0.696 3.599 1.00 0.00 H new ATOM 0 HG1 THR A 16 10.788 -1.990 4.451 1.00 0.00 H new ATOM 0 HG21 THR A 16 8.610 -2.930 4.603 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.592 -2.765 3.153 1.00 0.00 H new ATOM 0 HG23 THR A 16 9.106 -3.697 3.076 1.00 0.00 H new ATOM 192 N THR A 17 8.466 0.758 0.954 1.00 0.00 N ATOM 193 CA THR A 17 8.474 2.157 0.558 1.00 0.00 C ATOM 194 C THR A 17 7.486 2.957 1.410 1.00 0.00 C ATOM 195 O THR A 17 6.413 2.463 1.751 1.00 0.00 O ATOM 196 CB THR A 17 8.178 2.225 -0.941 1.00 0.00 C ATOM 197 OG1 THR A 17 8.392 3.593 -1.276 1.00 0.00 O ATOM 198 CG2 THR A 17 6.699 1.991 -1.257 1.00 0.00 C ATOM 0 H THR A 17 7.539 0.337 1.014 1.00 0.00 H new ATOM 0 HA THR A 17 9.449 2.613 0.732 1.00 0.00 H new ATOM 0 HB THR A 17 8.783 1.484 -1.464 1.00 0.00 H new ATOM 0 HG1 THR A 17 8.224 3.726 -2.232 1.00 0.00 H new ATOM 0 HG21 THR A 17 6.543 2.050 -2.334 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.403 1.004 -0.901 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.096 2.752 -0.761 1.00 0.00 H new ATOM 206 N GLU A 18 7.885 4.180 1.728 1.00 0.00 N ATOM 207 CA GLU A 18 7.049 5.054 2.533 1.00 0.00 C ATOM 208 C GLU A 18 6.400 6.125 1.654 1.00 0.00 C ATOM 209 O GLU A 18 7.096 6.918 1.021 1.00 0.00 O ATOM 210 CB GLU A 18 7.853 5.689 3.669 1.00 0.00 C ATOM 211 CG GLU A 18 7.126 6.908 4.240 1.00 0.00 C ATOM 212 CD GLU A 18 7.873 7.475 5.449 1.00 0.00 C ATOM 213 OE1 GLU A 18 9.121 7.498 5.386 1.00 0.00 O ATOM 214 OE2 GLU A 18 7.179 7.872 6.410 1.00 0.00 O ATOM 0 H GLU A 18 8.776 4.586 1.443 1.00 0.00 H new ATOM 0 HA GLU A 18 6.258 4.454 2.984 1.00 0.00 H new ATOM 0 HB2 GLU A 18 8.016 4.955 4.459 1.00 0.00 H new ATOM 0 HB3 GLU A 18 8.836 5.986 3.302 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.036 7.675 3.471 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.114 6.629 4.532 1.00 0.00 H new ATOM 221 N VAL A 19 5.075 6.115 1.644 1.00 0.00 N ATOM 222 CA VAL A 19 4.326 7.076 0.853 1.00 0.00 C ATOM 223 C VAL A 19 3.942 8.266 1.735 1.00 0.00 C ATOM 224 O VAL A 19 3.422 8.087 2.835 1.00 0.00 O ATOM 225 CB VAL A 19 3.116 6.394 0.210 1.00 0.00 C ATOM 226 CG1 VAL A 19 2.526 7.262 -0.904 1.00 0.00 C ATOM 227 CG2 VAL A 19 3.484 5.005 -0.313 1.00 0.00 C ATOM 0 H VAL A 19 4.501 5.457 2.171 1.00 0.00 H new ATOM 0 HA VAL A 19 4.938 7.460 0.037 1.00 0.00 H new ATOM 0 HB VAL A 19 2.353 6.271 0.978 1.00 0.00 H new ATOM 0 HG11 VAL A 19 1.668 6.755 -1.345 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.209 8.219 -0.490 1.00 0.00 H new ATOM 0 HG13 VAL A 19 3.281 7.431 -1.672 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.607 4.542 -0.765 1.00 0.00 H new ATOM 0 HG22 VAL A 19 4.272 5.095 -1.060 1.00 0.00 H new ATOM 0 HG23 VAL A 19 3.836 4.387 0.513 1.00 0.00 H new ATOM 237 N VAL A 20 4.214 9.456 1.218 1.00 0.00 N ATOM 238 CA VAL A 20 3.904 10.676 1.944 1.00 0.00 C ATOM 239 C VAL A 20 3.020 11.571 1.075 1.00 0.00 C ATOM 240 O VAL A 20 3.514 12.256 0.180 1.00 0.00 O ATOM 241 CB VAL A 20 5.197 11.363 2.389 1.00 0.00 C ATOM 242 CG1 VAL A 20 4.916 12.769 2.921 1.00 0.00 C ATOM 243 CG2 VAL A 20 5.936 10.520 3.431 1.00 0.00 C ATOM 0 H VAL A 20 4.646 9.601 0.305 1.00 0.00 H new ATOM 0 HA VAL A 20 3.344 10.449 2.851 1.00 0.00 H new ATOM 0 HB VAL A 20 5.843 11.458 1.516 1.00 0.00 H new ATOM 0 HG11 VAL A 20 5.852 13.235 3.230 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.454 13.369 2.137 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.242 12.707 3.775 1.00 0.00 H new ATOM 0 HG21 VAL A 20 6.851 11.031 3.730 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.298 10.378 4.303 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.186 9.549 3.003 1.00 0.00 H new ATOM 253 N LEU A 21 1.728 11.537 1.368 1.00 0.00 N ATOM 254 CA LEU A 21 0.771 12.338 0.624 1.00 0.00 C ATOM 255 C LEU A 21 0.387 13.566 1.451 1.00 0.00 C ATOM 256 O LEU A 21 -0.113 13.435 2.567 1.00 0.00 O ATOM 257 CB LEU A 21 -0.426 11.484 0.199 1.00 0.00 C ATOM 258 CG LEU A 21 -0.095 10.193 -0.552 1.00 0.00 C ATOM 259 CD1 LEU A 21 1.235 10.317 -1.298 1.00 0.00 C ATOM 260 CD2 LEU A 21 -0.113 8.989 0.392 1.00 0.00 C ATOM 0 H LEU A 21 1.322 10.967 2.110 1.00 0.00 H new ATOM 0 HA LEU A 21 1.218 12.703 -0.301 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.998 11.226 1.090 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.075 12.092 -0.432 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.869 10.026 -1.301 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.446 9.385 -1.823 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.174 11.133 -2.018 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.034 10.521 -0.585 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.125 8.084 -0.167 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.626 9.134 1.180 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.103 8.890 0.837 1.00 0.00 H new ATOM 272 N THR A 22 0.636 14.731 0.872 1.00 0.00 N ATOM 273 CA THR A 22 0.322 15.982 1.542 1.00 0.00 C ATOM 274 C THR A 22 -1.159 16.322 1.371 1.00 0.00 C ATOM 275 O THR A 22 -1.579 16.766 0.303 1.00 0.00 O ATOM 276 CB THR A 22 1.260 17.060 0.994 1.00 0.00 C ATOM 277 OG1 THR A 22 2.534 16.423 0.952 1.00 0.00 O ATOM 278 CG2 THR A 22 1.455 18.219 1.973 1.00 0.00 C ATOM 0 H THR A 22 1.052 14.835 -0.054 1.00 0.00 H new ATOM 0 HA THR A 22 0.483 15.906 2.617 1.00 0.00 H new ATOM 0 HB THR A 22 0.863 17.442 0.053 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.202 17.051 0.607 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.129 18.956 1.535 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.492 18.686 2.180 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.883 17.842 2.902 1.00 0.00 H new ATOM 286 N ALA A 23 -1.911 16.101 2.439 1.00 0.00 N ATOM 287 CA ALA A 23 -3.338 16.378 2.421 1.00 0.00 C ATOM 288 C ALA A 23 -3.602 17.608 1.550 1.00 0.00 C ATOM 289 O ALA A 23 -3.462 18.741 2.010 1.00 0.00 O ATOM 290 CB ALA A 23 -3.841 16.559 3.854 1.00 0.00 C ATOM 0 H ALA A 23 -1.559 15.733 3.323 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.887 15.542 1.987 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.911 16.767 3.841 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.655 15.648 4.423 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.316 17.392 4.322 1.00 0.00 H new ATOM 296 N ASP A 24 -3.980 17.345 0.308 1.00 0.00 N ATOM 297 CA ASP A 24 -4.266 18.416 -0.631 1.00 0.00 C ATOM 298 C ASP A 24 -5.434 19.252 -0.104 1.00 0.00 C ATOM 299 O ASP A 24 -6.146 18.828 0.804 1.00 0.00 O ATOM 300 CB ASP A 24 -4.664 17.858 -1.999 1.00 0.00 C ATOM 301 CG ASP A 24 -3.847 18.392 -3.177 1.00 0.00 C ATOM 302 OD1 ASP A 24 -2.612 18.493 -3.012 1.00 0.00 O ATOM 303 OD2 ASP A 24 -4.475 18.688 -4.216 1.00 0.00 O ATOM 0 H ASP A 24 -4.095 16.405 -0.070 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.366 19.021 -0.736 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.570 16.772 -1.973 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.716 18.083 -2.174 1.00 0.00 H new ATOM 308 N PRO A 25 -5.598 20.458 -0.712 1.00 0.00 N ATOM 309 CA PRO A 25 -6.668 21.357 -0.314 1.00 0.00 C ATOM 310 C PRO A 25 -8.019 20.869 -0.839 1.00 0.00 C ATOM 311 O PRO A 25 -9.034 21.545 -0.676 1.00 0.00 O ATOM 312 CB PRO A 25 -6.269 22.714 -0.871 1.00 0.00 C ATOM 313 CG PRO A 25 -5.235 22.433 -1.950 1.00 0.00 C ATOM 314 CD PRO A 25 -4.774 20.994 -1.791 1.00 0.00 C ATOM 0 HA PRO A 25 -6.795 21.407 0.767 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -7.132 23.236 -1.284 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -5.855 23.351 -0.089 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -5.664 22.589 -2.940 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -4.391 23.117 -1.857 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -4.913 20.430 -2.713 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -3.714 20.943 -1.543 1.00 0.00 H new ATOM 322 N VAL A 26 -7.989 19.698 -1.458 1.00 0.00 N ATOM 323 CA VAL A 26 -9.200 19.111 -2.008 1.00 0.00 C ATOM 324 C VAL A 26 -9.146 17.591 -1.840 1.00 0.00 C ATOM 325 O VAL A 26 -10.012 17.004 -1.194 1.00 0.00 O ATOM 326 CB VAL A 26 -9.377 19.546 -3.464 1.00 0.00 C ATOM 327 CG1 VAL A 26 -9.865 20.994 -3.548 1.00 0.00 C ATOM 328 CG2 VAL A 26 -8.081 19.358 -4.254 1.00 0.00 C ATOM 0 H VAL A 26 -7.146 19.140 -1.591 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.077 19.467 -1.468 1.00 0.00 H new ATOM 0 HB VAL A 26 -10.139 18.909 -3.914 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -9.983 21.278 -4.594 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -10.824 21.085 -3.037 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -9.137 21.651 -3.073 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.235 19.675 -5.286 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.290 19.958 -3.804 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.793 18.307 -4.236 1.00 0.00 H new ATOM 338 N THR A 27 -8.121 16.998 -2.434 1.00 0.00 N ATOM 339 CA THR A 27 -7.943 15.558 -2.359 1.00 0.00 C ATOM 340 C THR A 27 -6.803 15.211 -1.399 1.00 0.00 C ATOM 341 O THR A 27 -5.741 14.762 -1.827 1.00 0.00 O ATOM 342 CB THR A 27 -7.722 15.034 -3.779 1.00 0.00 C ATOM 343 OG1 THR A 27 -6.715 15.890 -4.312 1.00 0.00 O ATOM 344 CG2 THR A 27 -8.931 15.272 -4.686 1.00 0.00 C ATOM 0 H THR A 27 -7.405 17.489 -2.970 1.00 0.00 H new ATOM 0 HA THR A 27 -8.829 15.071 -1.952 1.00 0.00 H new ATOM 0 HB THR A 27 -7.501 13.967 -3.742 1.00 0.00 H new ATOM 0 HG1 THR A 27 -5.909 15.833 -3.757 1.00 0.00 H new ATOM 0 HG21 THR A 27 -8.721 14.881 -5.682 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.802 14.763 -4.273 1.00 0.00 H new ATOM 0 HG23 THR A 27 -9.132 16.341 -4.751 1.00 0.00 H new ATOM 352 N GLY A 28 -7.063 15.433 -0.119 1.00 0.00 N ATOM 353 CA GLY A 28 -6.072 15.149 0.906 1.00 0.00 C ATOM 354 C GLY A 28 -5.016 14.169 0.390 1.00 0.00 C ATOM 355 O GLY A 28 -4.011 14.581 -0.187 1.00 0.00 O ATOM 0 H GLY A 28 -7.945 15.806 0.232 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.591 16.076 1.219 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.562 14.731 1.785 1.00 0.00 H new ATOM 359 N PHE A 29 -5.279 12.890 0.618 1.00 0.00 N ATOM 360 CA PHE A 29 -4.364 11.849 0.184 1.00 0.00 C ATOM 361 C PHE A 29 -4.926 11.093 -1.022 1.00 0.00 C ATOM 362 O PHE A 29 -4.176 10.478 -1.778 1.00 0.00 O ATOM 363 CB PHE A 29 -4.208 10.875 1.354 1.00 0.00 C ATOM 364 CG PHE A 29 -3.899 11.552 2.690 1.00 0.00 C ATOM 365 CD1 PHE A 29 -2.825 12.378 2.802 1.00 0.00 C ATOM 366 CD2 PHE A 29 -4.699 11.327 3.767 1.00 0.00 C ATOM 367 CE1 PHE A 29 -2.538 13.006 4.042 1.00 0.00 C ATOM 368 CE2 PHE A 29 -4.412 11.956 5.008 1.00 0.00 C ATOM 369 CZ PHE A 29 -3.337 12.782 5.119 1.00 0.00 C ATOM 0 H PHE A 29 -6.113 12.552 1.098 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.411 12.289 -0.109 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.126 10.295 1.456 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.410 10.170 1.122 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -2.190 12.556 1.947 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -5.552 10.670 3.679 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.685 13.662 4.130 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -5.047 11.778 5.863 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.118 13.260 6.063 1.00 0.00 H new ATOM 379 N GLY A 30 -6.242 11.164 -1.164 1.00 0.00 N ATOM 380 CA GLY A 30 -6.912 10.494 -2.265 1.00 0.00 C ATOM 381 C GLY A 30 -6.530 9.014 -2.321 1.00 0.00 C ATOM 382 O GLY A 30 -5.851 8.579 -3.250 1.00 0.00 O ATOM 0 H GLY A 30 -6.861 11.675 -0.535 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -7.992 10.590 -2.151 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.646 10.977 -3.205 1.00 0.00 H new ATOM 386 N ILE A 31 -6.984 8.280 -1.316 1.00 0.00 N ATOM 387 CA ILE A 31 -6.699 6.858 -1.238 1.00 0.00 C ATOM 388 C ILE A 31 -7.897 6.134 -0.621 1.00 0.00 C ATOM 389 O ILE A 31 -8.538 6.654 0.292 1.00 0.00 O ATOM 390 CB ILE A 31 -5.384 6.615 -0.495 1.00 0.00 C ATOM 391 CG1 ILE A 31 -4.297 7.581 -0.972 1.00 0.00 C ATOM 392 CG2 ILE A 31 -4.946 5.154 -0.618 1.00 0.00 C ATOM 393 CD1 ILE A 31 -2.944 7.234 -0.350 1.00 0.00 C ATOM 0 H ILE A 31 -7.548 8.644 -0.548 1.00 0.00 H new ATOM 0 HA ILE A 31 -6.556 6.444 -2.236 1.00 0.00 H new ATOM 0 HB ILE A 31 -5.549 6.814 0.564 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.222 7.542 -2.059 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.572 8.602 -0.708 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.009 5.009 -0.081 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -5.713 4.507 -0.191 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.804 4.904 -1.669 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.189 7.936 -0.706 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.016 7.298 0.736 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.661 6.221 -0.636 1.00 0.00 H new ATOM 405 N GLN A 32 -8.164 4.946 -1.143 1.00 0.00 N ATOM 406 CA GLN A 32 -9.274 4.146 -0.655 1.00 0.00 C ATOM 407 C GLN A 32 -8.776 2.776 -0.189 1.00 0.00 C ATOM 408 O GLN A 32 -7.897 2.185 -0.815 1.00 0.00 O ATOM 409 CB GLN A 32 -10.358 4.001 -1.725 1.00 0.00 C ATOM 410 CG GLN A 32 -11.426 5.086 -1.573 1.00 0.00 C ATOM 411 CD GLN A 32 -12.828 4.473 -1.538 1.00 0.00 C ATOM 412 OE1 GLN A 32 -13.172 3.601 -2.318 1.00 0.00 O ATOM 413 NE2 GLN A 32 -13.615 4.978 -0.591 1.00 0.00 N ATOM 0 H GLN A 32 -7.630 4.518 -1.900 1.00 0.00 H new ATOM 0 HA GLN A 32 -9.719 4.659 0.198 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -9.907 4.065 -2.715 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -10.821 3.017 -1.648 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -11.249 5.650 -0.657 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -11.354 5.791 -2.401 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -13.263 5.707 0.029 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -14.570 4.636 -0.485 1.00 0.00 H new ATOM 422 N LEU A 33 -9.360 2.311 0.905 1.00 0.00 N ATOM 423 CA LEU A 33 -8.987 1.021 1.462 1.00 0.00 C ATOM 424 C LEU A 33 -10.085 0.001 1.154 1.00 0.00 C ATOM 425 O LEU A 33 -11.182 0.370 0.739 1.00 0.00 O ATOM 426 CB LEU A 33 -8.670 1.153 2.953 1.00 0.00 C ATOM 427 CG LEU A 33 -7.557 2.137 3.318 1.00 0.00 C ATOM 428 CD1 LEU A 33 -7.527 2.396 4.825 1.00 0.00 C ATOM 429 CD2 LEU A 33 -6.204 1.652 2.793 1.00 0.00 C ATOM 0 H LEU A 33 -10.089 2.804 1.421 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.072 0.655 0.997 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.580 1.455 3.472 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.397 0.169 3.335 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.769 3.089 2.832 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.727 3.099 5.058 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.482 2.816 5.141 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.351 1.458 5.352 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.430 2.369 3.066 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.970 0.682 3.231 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.247 1.559 1.708 1.00 0.00 H new ATOM 441 N GLN A 34 -9.750 -1.263 1.369 1.00 0.00 N ATOM 442 CA GLN A 34 -10.694 -2.339 1.120 1.00 0.00 C ATOM 443 C GLN A 34 -10.619 -3.381 2.238 1.00 0.00 C ATOM 444 O GLN A 34 -9.719 -3.334 3.076 1.00 0.00 O ATOM 445 CB GLN A 34 -10.444 -2.982 -0.246 1.00 0.00 C ATOM 446 CG GLN A 34 -8.950 -3.005 -0.576 1.00 0.00 C ATOM 447 CD GLN A 34 -8.676 -3.862 -1.814 1.00 0.00 C ATOM 448 OE1 GLN A 34 -8.096 -3.418 -2.791 1.00 0.00 O ATOM 449 NE2 GLN A 34 -9.123 -5.110 -1.718 1.00 0.00 N ATOM 0 H GLN A 34 -8.839 -1.566 1.713 1.00 0.00 H new ATOM 0 HA GLN A 34 -11.700 -1.918 1.109 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -10.837 -3.999 -0.251 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -10.982 -2.429 -1.016 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -8.596 -1.988 -0.747 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -8.392 -3.398 0.274 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -9.601 -5.417 -0.871 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -8.988 -5.761 -2.492 1.00 0.00 H new ATOM 620 N PRO A 47 -5.064 -4.302 4.531 1.00 0.00 N ATOM 621 CA PRO A 47 -5.902 -3.333 3.845 1.00 0.00 C ATOM 622 C PRO A 47 -5.234 -2.847 2.556 1.00 0.00 C ATOM 623 O PRO A 47 -4.340 -2.003 2.597 1.00 0.00 O ATOM 624 CB PRO A 47 -6.125 -2.220 4.855 1.00 0.00 C ATOM 625 CG PRO A 47 -5.032 -2.379 5.899 1.00 0.00 C ATOM 626 CD PRO A 47 -4.403 -3.750 5.710 1.00 0.00 C ATOM 0 HA PRO A 47 -6.854 -3.754 3.521 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -6.069 -1.242 4.377 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -7.113 -2.297 5.309 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -4.282 -1.596 5.788 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -5.446 -2.284 6.903 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.326 -3.674 5.561 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -4.560 -4.382 6.584 1.00 0.00 H new ATOM 634 N LEU A 48 -5.695 -3.400 1.444 1.00 0.00 N ATOM 635 CA LEU A 48 -5.154 -3.033 0.146 1.00 0.00 C ATOM 636 C LEU A 48 -5.773 -1.708 -0.303 1.00 0.00 C ATOM 637 O LEU A 48 -6.755 -1.248 0.278 1.00 0.00 O ATOM 638 CB LEU A 48 -5.345 -4.173 -0.856 1.00 0.00 C ATOM 639 CG LEU A 48 -5.165 -5.588 -0.304 1.00 0.00 C ATOM 640 CD1 LEU A 48 -6.286 -6.511 -0.785 1.00 0.00 C ATOM 641 CD2 LEU A 48 -3.780 -6.139 -0.650 1.00 0.00 C ATOM 0 H LEU A 48 -6.437 -4.099 1.415 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.077 -2.876 0.212 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.346 -4.094 -1.279 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.640 -4.032 -1.676 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.231 -5.542 0.783 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.134 -7.511 -0.378 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.247 -6.124 -0.446 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.277 -6.557 -1.874 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.678 -7.146 -0.246 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.660 -6.169 -1.733 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.014 -5.495 -0.218 1.00 0.00 H new ATOM 653 N ILE A 49 -5.174 -1.131 -1.335 1.00 0.00 N ATOM 654 CA ILE A 49 -5.655 0.131 -1.870 1.00 0.00 C ATOM 655 C ILE A 49 -6.857 -0.130 -2.780 1.00 0.00 C ATOM 656 O ILE A 49 -6.695 -0.573 -3.916 1.00 0.00 O ATOM 657 CB ILE A 49 -4.517 0.891 -2.555 1.00 0.00 C ATOM 658 CG1 ILE A 49 -3.398 1.214 -1.564 1.00 0.00 C ATOM 659 CG2 ILE A 49 -5.041 2.145 -3.258 1.00 0.00 C ATOM 660 CD1 ILE A 49 -2.290 2.029 -2.234 1.00 0.00 C ATOM 0 H ILE A 49 -4.360 -1.515 -1.815 1.00 0.00 H new ATOM 0 HA ILE A 49 -6.000 0.779 -1.065 1.00 0.00 H new ATOM 0 HB ILE A 49 -4.089 0.246 -3.323 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.805 1.771 -0.720 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.983 0.289 -1.165 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -4.212 2.667 -3.737 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.774 1.860 -4.012 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.510 2.803 -2.527 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.507 2.245 -1.507 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.869 1.459 -3.062 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.704 2.965 -2.611 1.00 0.00 H new ATOM 672 N SER A 50 -8.035 0.157 -2.248 1.00 0.00 N ATOM 673 CA SER A 50 -9.264 -0.041 -2.998 1.00 0.00 C ATOM 674 C SER A 50 -9.234 0.793 -4.280 1.00 0.00 C ATOM 675 O SER A 50 -9.405 0.261 -5.376 1.00 0.00 O ATOM 676 CB SER A 50 -10.488 0.323 -2.156 1.00 0.00 C ATOM 677 OG SER A 50 -11.591 0.726 -2.964 1.00 0.00 O ATOM 0 H SER A 50 -8.165 0.525 -1.306 1.00 0.00 H new ATOM 0 HA SER A 50 -9.339 -1.096 -3.260 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.778 -0.534 -1.548 1.00 0.00 H new ATOM 0 HB3 SER A 50 -10.229 1.128 -1.469 1.00 0.00 H new ATOM 0 HG SER A 50 -12.353 0.949 -2.390 1.00 0.00 H new ATOM 683 N TYR A 51 -9.015 2.088 -4.101 1.00 0.00 N ATOM 684 CA TYR A 51 -8.960 3.001 -5.230 1.00 0.00 C ATOM 685 C TYR A 51 -8.038 4.185 -4.934 1.00 0.00 C ATOM 686 O TYR A 51 -7.813 4.526 -3.774 1.00 0.00 O ATOM 687 CB TYR A 51 -10.387 3.517 -5.424 1.00 0.00 C ATOM 688 CG TYR A 51 -10.510 4.628 -6.469 1.00 0.00 C ATOM 689 CD1 TYR A 51 -10.459 4.320 -7.813 1.00 0.00 C ATOM 690 CD2 TYR A 51 -10.673 5.938 -6.067 1.00 0.00 C ATOM 691 CE1 TYR A 51 -10.574 5.366 -8.797 1.00 0.00 C ATOM 692 CE2 TYR A 51 -10.789 6.984 -7.051 1.00 0.00 C ATOM 693 CZ TYR A 51 -10.734 6.646 -8.367 1.00 0.00 C ATOM 694 OH TYR A 51 -10.844 7.633 -9.295 1.00 0.00 O ATOM 0 H TYR A 51 -8.874 2.526 -3.191 1.00 0.00 H new ATOM 0 HA TYR A 51 -8.574 2.494 -6.115 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -11.027 2.684 -5.717 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -10.762 3.887 -4.470 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -10.333 3.295 -8.127 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -10.714 6.179 -5.015 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -10.534 5.139 -9.852 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -10.917 8.013 -6.750 1.00 0.00 H new ATOM 0 HH TYR A 51 -10.955 8.496 -8.843 1.00 0.00 H new ATOM 704 N ILE A 52 -7.529 4.779 -6.003 1.00 0.00 N ATOM 705 CA ILE A 52 -6.636 5.918 -5.872 1.00 0.00 C ATOM 706 C ILE A 52 -7.206 7.101 -6.657 1.00 0.00 C ATOM 707 O ILE A 52 -7.194 7.098 -7.887 1.00 0.00 O ATOM 708 CB ILE A 52 -5.214 5.534 -6.285 1.00 0.00 C ATOM 709 CG1 ILE A 52 -4.691 4.373 -5.437 1.00 0.00 C ATOM 710 CG2 ILE A 52 -4.282 6.746 -6.235 1.00 0.00 C ATOM 711 CD1 ILE A 52 -3.576 3.620 -6.166 1.00 0.00 C ATOM 0 H ILE A 52 -7.718 4.493 -6.964 1.00 0.00 H new ATOM 0 HA ILE A 52 -6.567 6.230 -4.830 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.240 5.191 -7.319 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.317 4.752 -4.486 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.508 3.688 -5.208 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.278 6.445 -6.533 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.648 7.515 -6.916 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.256 7.143 -5.220 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.222 2.800 -5.541 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.960 3.221 -7.105 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.751 4.302 -6.372 1.00 0.00 H new ATOM 723 N GLU A 53 -7.692 8.084 -5.914 1.00 0.00 N ATOM 724 CA GLU A 53 -8.266 9.271 -6.525 1.00 0.00 C ATOM 725 C GLU A 53 -7.287 9.874 -7.535 1.00 0.00 C ATOM 726 O GLU A 53 -6.084 9.626 -7.463 1.00 0.00 O ATOM 727 CB GLU A 53 -8.660 10.299 -5.463 1.00 0.00 C ATOM 728 CG GLU A 53 -10.174 10.306 -5.242 1.00 0.00 C ATOM 729 CD GLU A 53 -10.638 9.006 -4.581 1.00 0.00 C ATOM 730 OE1 GLU A 53 -9.810 8.410 -3.858 1.00 0.00 O ATOM 731 OE2 GLU A 53 -11.810 8.638 -4.813 1.00 0.00 O ATOM 0 H GLU A 53 -7.700 8.083 -4.894 1.00 0.00 H new ATOM 0 HA GLU A 53 -9.173 8.980 -7.056 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -8.153 10.071 -4.525 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -8.329 11.291 -5.771 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -10.450 11.155 -4.616 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -10.684 10.435 -6.197 1.00 0.00 H new ATOM 738 N ALA A 54 -7.839 10.654 -8.452 1.00 0.00 N ATOM 739 CA ALA A 54 -7.030 11.295 -9.475 1.00 0.00 C ATOM 740 C ALA A 54 -6.682 12.716 -9.028 1.00 0.00 C ATOM 741 O ALA A 54 -7.324 13.264 -8.134 1.00 0.00 O ATOM 742 CB ALA A 54 -7.779 11.270 -10.809 1.00 0.00 C ATOM 0 H ALA A 54 -8.837 10.857 -8.508 1.00 0.00 H new ATOM 0 HA ALA A 54 -6.094 10.756 -9.617 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.172 11.751 -11.576 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.976 10.237 -11.096 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -8.724 11.804 -10.706 1.00 0.00 H new ATOM 748 N ASP A 55 -5.665 13.272 -9.671 1.00 0.00 N ATOM 749 CA ASP A 55 -5.224 14.619 -9.351 1.00 0.00 C ATOM 750 C ASP A 55 -4.890 14.700 -7.860 1.00 0.00 C ATOM 751 O ASP A 55 -4.842 15.789 -7.290 1.00 0.00 O ATOM 752 CB ASP A 55 -6.322 15.643 -9.646 1.00 0.00 C ATOM 753 CG ASP A 55 -5.821 17.052 -9.968 1.00 0.00 C ATOM 754 OD1 ASP A 55 -4.588 17.246 -9.900 1.00 0.00 O ATOM 755 OD2 ASP A 55 -6.683 17.904 -10.274 1.00 0.00 O ATOM 0 H ASP A 55 -5.134 12.814 -10.412 1.00 0.00 H new ATOM 0 HA ASP A 55 -4.350 14.842 -9.962 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.917 15.284 -10.486 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -6.988 15.698 -8.785 1.00 0.00 H new ATOM 760 N SER A 56 -4.666 13.534 -7.272 1.00 0.00 N ATOM 761 CA SER A 56 -4.338 13.460 -5.858 1.00 0.00 C ATOM 762 C SER A 56 -2.830 13.267 -5.681 1.00 0.00 C ATOM 763 O SER A 56 -2.121 12.973 -6.642 1.00 0.00 O ATOM 764 CB SER A 56 -5.102 12.326 -5.174 1.00 0.00 C ATOM 765 OG SER A 56 -4.300 11.158 -5.019 1.00 0.00 O ATOM 0 H SER A 56 -4.705 12.633 -7.749 1.00 0.00 H new ATOM 0 HA SER A 56 -4.636 14.397 -5.388 1.00 0.00 H new ATOM 0 HB2 SER A 56 -5.448 12.660 -4.196 1.00 0.00 H new ATOM 0 HB3 SER A 56 -5.989 12.082 -5.759 1.00 0.00 H new ATOM 0 HG SER A 56 -4.824 10.458 -4.577 1.00 0.00 H new ATOM 771 N PRO A 57 -2.373 13.445 -4.413 1.00 0.00 N ATOM 772 CA PRO A 57 -0.963 13.293 -4.097 1.00 0.00 C ATOM 773 C PRO A 57 -0.563 11.817 -4.071 1.00 0.00 C ATOM 774 O PRO A 57 0.600 11.481 -4.292 1.00 0.00 O ATOM 775 CB PRO A 57 -0.785 13.981 -2.753 1.00 0.00 C ATOM 776 CG PRO A 57 -2.176 14.083 -2.149 1.00 0.00 C ATOM 777 CD PRO A 57 -3.184 13.794 -3.250 1.00 0.00 C ATOM 0 HA PRO A 57 -0.313 13.741 -4.848 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.120 13.409 -2.107 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.339 14.968 -2.876 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.290 13.372 -1.331 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.340 15.077 -1.733 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -3.850 12.977 -2.972 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -3.811 14.663 -3.451 1.00 0.00 H new ATOM 785 N ALA A 58 -1.549 10.974 -3.799 1.00 0.00 N ATOM 786 CA ALA A 58 -1.314 9.541 -3.741 1.00 0.00 C ATOM 787 C ALA A 58 -1.043 9.016 -5.153 1.00 0.00 C ATOM 788 O ALA A 58 -0.401 7.980 -5.321 1.00 0.00 O ATOM 789 CB ALA A 58 -2.512 8.854 -3.083 1.00 0.00 C ATOM 0 H ALA A 58 -2.512 11.256 -3.616 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.437 9.319 -3.133 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.336 7.779 -3.039 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -2.644 9.241 -2.073 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.411 9.051 -3.667 1.00 0.00 H new ATOM 795 N GLU A 59 -1.545 9.755 -6.131 1.00 0.00 N ATOM 796 CA GLU A 59 -1.365 9.376 -7.522 1.00 0.00 C ATOM 797 C GLU A 59 -0.183 10.134 -8.130 1.00 0.00 C ATOM 798 O GLU A 59 0.496 9.623 -9.020 1.00 0.00 O ATOM 799 CB GLU A 59 -2.644 9.620 -8.327 1.00 0.00 C ATOM 800 CG GLU A 59 -2.616 8.848 -9.647 1.00 0.00 C ATOM 801 CD GLU A 59 -2.876 7.358 -9.417 1.00 0.00 C ATOM 802 OE1 GLU A 59 -1.954 6.694 -8.896 1.00 0.00 O ATOM 803 OE2 GLU A 59 -3.992 6.916 -9.768 1.00 0.00 O ATOM 0 H GLU A 59 -2.076 10.614 -5.988 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.147 8.309 -7.562 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.511 9.314 -7.741 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.754 10.686 -8.527 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -3.369 9.252 -10.324 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.648 8.981 -10.130 1.00 0.00 H new ATOM 810 N ARG A 60 0.028 11.341 -7.625 1.00 0.00 N ATOM 811 CA ARG A 60 1.117 12.174 -8.107 1.00 0.00 C ATOM 812 C ARG A 60 2.447 11.425 -7.997 1.00 0.00 C ATOM 813 O ARG A 60 3.152 11.257 -8.991 1.00 0.00 O ATOM 814 CB ARG A 60 1.206 13.478 -7.311 1.00 0.00 C ATOM 815 CG ARG A 60 0.303 14.553 -7.917 1.00 0.00 C ATOM 816 CD ARG A 60 0.671 15.941 -7.388 1.00 0.00 C ATOM 817 NE ARG A 60 -0.487 16.854 -7.514 1.00 0.00 N ATOM 818 CZ ARG A 60 -0.571 18.048 -6.911 1.00 0.00 C ATOM 819 NH1 ARG A 60 0.433 18.479 -6.136 1.00 0.00 N ATOM 820 NH2 ARG A 60 -1.660 18.810 -7.083 1.00 0.00 N ATOM 0 H ARG A 60 -0.537 11.762 -6.887 1.00 0.00 H new ATOM 0 HA ARG A 60 0.916 12.412 -9.151 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.917 13.297 -6.276 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.238 13.830 -7.297 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.393 14.538 -9.003 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.738 14.334 -7.680 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.978 15.872 -6.344 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.520 16.338 -7.945 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.270 16.556 -8.096 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.261 17.899 -6.005 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.369 19.388 -5.677 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -2.425 18.481 -7.673 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -1.724 19.719 -6.624 1.00 0.00 H new ATOM 834 N CYS A 61 2.749 10.996 -6.781 1.00 0.00 N ATOM 835 CA CYS A 61 3.982 10.269 -6.529 1.00 0.00 C ATOM 836 C CYS A 61 4.005 9.035 -7.433 1.00 0.00 C ATOM 837 O CYS A 61 5.070 8.602 -7.870 1.00 0.00 O ATOM 838 CB CYS A 61 4.127 9.897 -5.052 1.00 0.00 C ATOM 839 SG CYS A 61 2.564 9.176 -4.431 1.00 0.00 S ATOM 0 H CYS A 61 2.162 11.138 -5.959 1.00 0.00 H new ATOM 0 HA CYS A 61 4.836 10.905 -6.762 1.00 0.00 H new ATOM 0 HB2 CYS A 61 4.941 9.183 -4.927 1.00 0.00 H new ATOM 0 HB3 CYS A 61 4.386 10.781 -4.470 1.00 0.00 H new ATOM 0 HG CYS A 61 1.688 10.121 -4.259 1.00 0.00 H new ATOM 845 N GLY A 62 2.818 8.504 -7.687 1.00 0.00 N ATOM 846 CA GLY A 62 2.689 7.328 -8.531 1.00 0.00 C ATOM 847 C GLY A 62 3.558 6.181 -8.010 1.00 0.00 C ATOM 848 O GLY A 62 4.193 5.475 -8.792 1.00 0.00 O ATOM 0 H GLY A 62 1.937 8.867 -7.323 1.00 0.00 H new ATOM 0 HA2 GLY A 62 1.646 7.013 -8.564 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.980 7.575 -9.552 1.00 0.00 H new ATOM 852 N VAL A 63 3.558 6.032 -6.694 1.00 0.00 N ATOM 853 CA VAL A 63 4.338 4.983 -6.060 1.00 0.00 C ATOM 854 C VAL A 63 3.392 3.941 -5.460 1.00 0.00 C ATOM 855 O VAL A 63 3.838 2.930 -4.920 1.00 0.00 O ATOM 856 CB VAL A 63 5.291 5.591 -5.027 1.00 0.00 C ATOM 857 CG1 VAL A 63 6.256 6.578 -5.686 1.00 0.00 C ATOM 858 CG2 VAL A 63 4.514 6.259 -3.891 1.00 0.00 C ATOM 0 H VAL A 63 3.030 6.620 -6.049 1.00 0.00 H new ATOM 0 HA VAL A 63 4.960 4.472 -6.795 1.00 0.00 H new ATOM 0 HB VAL A 63 5.881 4.781 -4.598 1.00 0.00 H new ATOM 0 HG11 VAL A 63 6.922 6.995 -4.931 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.845 6.060 -6.443 1.00 0.00 H new ATOM 0 HG13 VAL A 63 5.690 7.383 -6.155 1.00 0.00 H new ATOM 0 HG21 VAL A 63 5.214 6.683 -3.171 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.886 7.052 -4.297 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.887 5.518 -3.394 1.00 0.00 H new ATOM 868 N LEU A 64 2.103 4.224 -5.574 1.00 0.00 N ATOM 869 CA LEU A 64 1.090 3.324 -5.050 1.00 0.00 C ATOM 870 C LEU A 64 0.374 2.636 -6.214 1.00 0.00 C ATOM 871 O LEU A 64 0.363 3.149 -7.332 1.00 0.00 O ATOM 872 CB LEU A 64 0.148 4.071 -4.104 1.00 0.00 C ATOM 873 CG LEU A 64 0.809 4.780 -2.920 1.00 0.00 C ATOM 874 CD1 LEU A 64 0.127 6.119 -2.633 1.00 0.00 C ATOM 875 CD2 LEU A 64 0.840 3.876 -1.687 1.00 0.00 C ATOM 0 H LEU A 64 1.737 5.064 -6.022 1.00 0.00 H new ATOM 0 HA LEU A 64 1.551 2.539 -4.450 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.404 4.811 -4.683 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.582 3.361 -3.715 1.00 0.00 H new ATOM 0 HG LEU A 64 1.844 4.996 -3.186 1.00 0.00 H new ATOM 0 HD11 LEU A 64 0.616 6.602 -1.787 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.202 6.761 -3.511 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.923 5.949 -2.396 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.315 4.404 -0.860 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.179 3.606 -1.408 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.406 2.972 -1.913 1.00 0.00 H new ATOM 887 N GLN A 65 -0.208 1.485 -5.911 1.00 0.00 N ATOM 888 CA GLN A 65 -0.925 0.721 -6.918 1.00 0.00 C ATOM 889 C GLN A 65 -2.272 0.250 -6.368 1.00 0.00 C ATOM 890 O GLN A 65 -2.409 0.014 -5.168 1.00 0.00 O ATOM 891 CB GLN A 65 -0.088 -0.463 -7.407 1.00 0.00 C ATOM 892 CG GLN A 65 -0.804 -1.214 -8.532 1.00 0.00 C ATOM 893 CD GLN A 65 0.202 -1.881 -9.472 1.00 0.00 C ATOM 894 OE1 GLN A 65 1.003 -2.713 -9.078 1.00 0.00 O ATOM 895 NE2 GLN A 65 0.116 -1.470 -10.735 1.00 0.00 N ATOM 0 H GLN A 65 -0.198 1.063 -4.983 1.00 0.00 H new ATOM 0 HA GLN A 65 -1.111 1.370 -7.774 1.00 0.00 H new ATOM 0 HB2 GLN A 65 0.880 -0.107 -7.761 1.00 0.00 H new ATOM 0 HB3 GLN A 65 0.106 -1.143 -6.577 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -1.466 -1.969 -8.107 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -1.430 -0.522 -9.095 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -0.578 -0.770 -10.997 1.00 0.00 H new ATOM 0 HE22 GLN A 65 0.744 -1.855 -11.441 1.00 0.00 H new ATOM 904 N ILE A 66 -3.234 0.126 -7.271 1.00 0.00 N ATOM 905 CA ILE A 66 -4.566 -0.312 -6.891 1.00 0.00 C ATOM 906 C ILE A 66 -4.496 -1.751 -6.375 1.00 0.00 C ATOM 907 O ILE A 66 -4.184 -2.671 -7.130 1.00 0.00 O ATOM 908 CB ILE A 66 -5.544 -0.122 -8.051 1.00 0.00 C ATOM 909 CG1 ILE A 66 -5.711 1.361 -8.390 1.00 0.00 C ATOM 910 CG2 ILE A 66 -6.885 -0.797 -7.755 1.00 0.00 C ATOM 911 CD1 ILE A 66 -6.706 2.031 -7.440 1.00 0.00 C ATOM 0 H ILE A 66 -3.117 0.321 -8.265 1.00 0.00 H new ATOM 0 HA ILE A 66 -4.951 0.302 -6.077 1.00 0.00 H new ATOM 0 HB ILE A 66 -5.127 -0.609 -8.932 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.746 1.864 -8.325 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -6.057 1.466 -9.418 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.562 -0.646 -8.596 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.729 -1.865 -7.602 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -7.321 -0.361 -6.856 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -6.807 3.084 -7.702 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -7.676 1.542 -7.525 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -6.345 1.945 -6.415 1.00 0.00 H new ATOM 923 N GLY A 67 -4.793 -1.901 -5.092 1.00 0.00 N ATOM 924 CA GLY A 67 -4.769 -3.212 -4.467 1.00 0.00 C ATOM 925 C GLY A 67 -3.372 -3.540 -3.935 1.00 0.00 C ATOM 926 O GLY A 67 -3.011 -4.708 -3.806 1.00 0.00 O ATOM 0 H GLY A 67 -5.051 -1.136 -4.469 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.490 -3.243 -3.650 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -5.074 -3.969 -5.190 1.00 0.00 H new ATOM 930 N ASP A 68 -2.624 -2.486 -3.640 1.00 0.00 N ATOM 931 CA ASP A 68 -1.275 -2.647 -3.125 1.00 0.00 C ATOM 932 C ASP A 68 -1.319 -3.483 -1.844 1.00 0.00 C ATOM 933 O ASP A 68 -2.351 -4.064 -1.513 1.00 0.00 O ATOM 934 CB ASP A 68 -0.650 -1.293 -2.785 1.00 0.00 C ATOM 935 CG ASP A 68 0.867 -1.217 -2.965 1.00 0.00 C ATOM 936 OD1 ASP A 68 1.535 -2.201 -2.577 1.00 0.00 O ATOM 937 OD2 ASP A 68 1.326 -0.178 -3.486 1.00 0.00 O ATOM 0 H ASP A 68 -2.927 -1.518 -3.748 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.677 -3.137 -3.893 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.113 -0.529 -3.409 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -0.891 -1.048 -1.750 1.00 0.00 H new ATOM 942 N ARG A 69 -0.186 -3.516 -1.158 1.00 0.00 N ATOM 943 CA ARG A 69 -0.082 -4.271 0.079 1.00 0.00 C ATOM 944 C ARG A 69 0.564 -3.415 1.170 1.00 0.00 C ATOM 945 O ARG A 69 1.788 -3.343 1.264 1.00 0.00 O ATOM 946 CB ARG A 69 0.746 -5.542 -0.119 1.00 0.00 C ATOM 947 CG ARG A 69 1.856 -5.319 -1.148 1.00 0.00 C ATOM 948 CD ARG A 69 1.319 -5.460 -2.573 1.00 0.00 C ATOM 949 NE ARG A 69 2.393 -5.935 -3.474 1.00 0.00 N ATOM 950 CZ ARG A 69 3.276 -5.130 -4.081 1.00 0.00 C ATOM 951 NH1 ARG A 69 3.218 -3.805 -3.887 1.00 0.00 N ATOM 952 NH2 ARG A 69 4.216 -5.649 -4.881 1.00 0.00 N ATOM 0 H ARG A 69 0.668 -3.032 -1.435 1.00 0.00 H new ATOM 0 HA ARG A 69 -1.091 -4.552 0.382 1.00 0.00 H new ATOM 0 HB2 ARG A 69 1.183 -5.847 0.832 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.098 -6.355 -0.448 1.00 0.00 H new ATOM 0 HG2 ARG A 69 2.287 -4.327 -1.014 1.00 0.00 H new ATOM 0 HG3 ARG A 69 2.658 -6.039 -0.985 1.00 0.00 H new ATOM 0 HD2 ARG A 69 0.484 -6.160 -2.588 1.00 0.00 H new ATOM 0 HD3 ARG A 69 0.937 -4.501 -2.923 1.00 0.00 H new ATOM 0 HE ARG A 69 2.466 -6.938 -3.644 1.00 0.00 H new ATOM 0 HH11 ARG A 69 2.502 -3.410 -3.278 1.00 0.00 H new ATOM 0 HH12 ARG A 69 3.890 -3.192 -4.349 1.00 0.00 H new ATOM 0 HH21 ARG A 69 4.260 -6.657 -5.029 1.00 0.00 H new ATOM 0 HH22 ARG A 69 4.888 -5.036 -5.343 1.00 0.00 H new ATOM 966 N VAL A 70 -0.288 -2.787 1.968 1.00 0.00 N ATOM 967 CA VAL A 70 0.185 -1.939 3.049 1.00 0.00 C ATOM 968 C VAL A 70 0.439 -2.797 4.290 1.00 0.00 C ATOM 969 O VAL A 70 -0.482 -3.415 4.821 1.00 0.00 O ATOM 970 CB VAL A 70 -0.813 -0.806 3.299 1.00 0.00 C ATOM 971 CG1 VAL A 70 -2.067 -1.326 4.004 1.00 0.00 C ATOM 972 CG2 VAL A 70 -0.165 0.328 4.096 1.00 0.00 C ATOM 0 H VAL A 70 -1.303 -2.849 1.887 1.00 0.00 H new ATOM 0 HA VAL A 70 1.131 -1.468 2.780 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.115 -0.405 2.332 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.760 -0.501 4.170 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.546 -2.083 3.383 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.790 -1.765 4.962 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.895 1.121 4.260 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.179 -0.053 5.057 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.683 0.726 3.539 1.00 0.00 H new ATOM 982 N MET A 71 1.693 -2.806 4.717 1.00 0.00 N ATOM 983 CA MET A 71 2.080 -3.577 5.886 1.00 0.00 C ATOM 984 C MET A 71 1.823 -2.789 7.172 1.00 0.00 C ATOM 985 O MET A 71 1.789 -3.363 8.260 1.00 0.00 O ATOM 986 CB MET A 71 3.565 -3.934 5.794 1.00 0.00 C ATOM 987 CG MET A 71 3.918 -4.456 4.399 1.00 0.00 C ATOM 988 SD MET A 71 3.354 -6.139 4.216 1.00 0.00 S ATOM 989 CE MET A 71 4.427 -6.955 5.387 1.00 0.00 C ATOM 0 H MET A 71 2.454 -2.292 4.274 1.00 0.00 H new ATOM 0 HA MET A 71 1.480 -4.486 5.913 1.00 0.00 H new ATOM 0 HB2 MET A 71 4.169 -3.055 6.021 1.00 0.00 H new ATOM 0 HB3 MET A 71 3.808 -4.689 6.541 1.00 0.00 H new ATOM 0 HG2 MET A 71 3.458 -3.825 3.639 1.00 0.00 H new ATOM 0 HG3 MET A 71 4.996 -4.406 4.245 1.00 0.00 H new ATOM 0 HE1 MET A 71 4.584 -7.988 5.078 1.00 0.00 H new ATOM 0 HE2 MET A 71 5.386 -6.437 5.424 1.00 0.00 H new ATOM 0 HE3 MET A 71 3.967 -6.938 6.375 1.00 0.00 H new ATOM 999 N ALA A 72 1.649 -1.486 7.006 1.00 0.00 N ATOM 1000 CA ALA A 72 1.396 -0.614 8.140 1.00 0.00 C ATOM 1001 C ALA A 72 0.982 0.768 7.632 1.00 0.00 C ATOM 1002 O ALA A 72 1.245 1.116 6.482 1.00 0.00 O ATOM 1003 CB ALA A 72 2.640 -0.560 9.029 1.00 0.00 C ATOM 0 H ALA A 72 1.678 -1.013 6.103 1.00 0.00 H new ATOM 0 HA ALA A 72 0.578 -1.001 8.747 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.451 0.094 9.880 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.875 -1.562 9.387 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.481 -0.173 8.454 1.00 0.00 H new ATOM 1009 N ILE A 73 0.340 1.520 8.515 1.00 0.00 N ATOM 1010 CA ILE A 73 -0.113 2.857 8.170 1.00 0.00 C ATOM 1011 C ILE A 73 0.357 3.842 9.242 1.00 0.00 C ATOM 1012 O ILE A 73 -0.274 3.974 10.289 1.00 0.00 O ATOM 1013 CB ILE A 73 -1.627 2.868 7.946 1.00 0.00 C ATOM 1014 CG1 ILE A 73 -2.019 1.930 6.802 1.00 0.00 C ATOM 1015 CG2 ILE A 73 -2.137 4.292 7.721 1.00 0.00 C ATOM 1016 CD1 ILE A 73 -3.528 1.971 6.553 1.00 0.00 C ATOM 0 H ILE A 73 0.123 1.229 9.468 1.00 0.00 H new ATOM 0 HA ILE A 73 0.328 3.178 7.226 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.109 2.493 8.849 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.489 2.217 5.894 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.714 0.911 7.041 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.215 4.272 7.564 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.909 4.903 8.595 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.651 4.718 6.843 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -3.780 1.296 5.735 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.054 1.660 7.456 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -3.826 2.986 6.290 1.00 0.00 H new ATOM 1028 N ASN A 74 1.462 4.509 8.943 1.00 0.00 N ATOM 1029 CA ASN A 74 2.024 5.479 9.867 1.00 0.00 C ATOM 1030 C ASN A 74 2.617 4.744 11.072 1.00 0.00 C ATOM 1031 O ASN A 74 2.735 5.315 12.155 1.00 0.00 O ATOM 1032 CB ASN A 74 0.949 6.438 10.381 1.00 0.00 C ATOM 1033 CG ASN A 74 1.254 7.878 9.963 1.00 0.00 C ATOM 1034 OD1 ASN A 74 2.299 8.431 10.265 1.00 0.00 O ATOM 1035 ND2 ASN A 74 0.286 8.453 9.255 1.00 0.00 N ATOM 0 H ASN A 74 1.983 4.397 8.073 1.00 0.00 H new ATOM 0 HA ASN A 74 2.789 6.046 9.337 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -0.025 6.141 9.992 1.00 0.00 H new ATOM 0 HB3 ASN A 74 0.890 6.376 11.468 1.00 0.00 H new ATOM 0 HD21 ASN A 74 0.394 9.414 8.930 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -0.564 7.933 9.037 1.00 0.00 H new ATOM 1042 N GLY A 75 2.974 3.489 10.842 1.00 0.00 N ATOM 1043 CA GLY A 75 3.551 2.671 11.895 1.00 0.00 C ATOM 1044 C GLY A 75 2.498 1.749 12.512 1.00 0.00 C ATOM 1045 O GLY A 75 2.832 0.839 13.269 1.00 0.00 O ATOM 0 H GLY A 75 2.875 3.019 9.942 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.369 2.075 11.490 1.00 0.00 H new ATOM 0 HA3 GLY A 75 3.975 3.312 12.667 1.00 0.00 H new ATOM 1049 N ILE A 76 1.247 2.016 12.166 1.00 0.00 N ATOM 1050 CA ILE A 76 0.143 1.222 12.677 1.00 0.00 C ATOM 1051 C ILE A 76 0.194 -0.174 12.054 1.00 0.00 C ATOM 1052 O ILE A 76 0.303 -0.311 10.836 1.00 0.00 O ATOM 1053 CB ILE A 76 -1.186 1.947 12.455 1.00 0.00 C ATOM 1054 CG1 ILE A 76 -1.316 3.152 13.388 1.00 0.00 C ATOM 1055 CG2 ILE A 76 -2.366 0.983 12.595 1.00 0.00 C ATOM 1056 CD1 ILE A 76 -1.645 2.707 14.815 1.00 0.00 C ATOM 0 H ILE A 76 0.974 2.772 11.538 1.00 0.00 H new ATOM 0 HA ILE A 76 0.233 1.093 13.756 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.201 2.328 11.434 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.386 3.720 13.386 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.097 3.818 13.021 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -3.299 1.523 12.433 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -2.275 0.187 11.856 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -2.366 0.551 13.596 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.732 3.583 15.458 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -2.588 2.160 14.817 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.850 2.061 15.187 1.00 0.00 H new ATOM 1068 N PRO A 77 0.111 -1.202 12.940 1.00 0.00 N ATOM 1069 CA PRO A 77 0.146 -2.583 12.490 1.00 0.00 C ATOM 1070 C PRO A 77 -1.183 -2.985 11.847 1.00 0.00 C ATOM 1071 O PRO A 77 -2.098 -3.437 12.534 1.00 0.00 O ATOM 1072 CB PRO A 77 0.473 -3.394 13.733 1.00 0.00 C ATOM 1073 CG PRO A 77 0.151 -2.494 14.915 1.00 0.00 C ATOM 1074 CD PRO A 77 -0.019 -1.078 14.389 1.00 0.00 C ATOM 0 HA PRO A 77 0.891 -2.752 11.712 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -0.117 -4.310 13.768 1.00 0.00 H new ATOM 0 HB3 PRO A 77 1.522 -3.690 13.742 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -0.759 -2.828 15.413 1.00 0.00 H new ATOM 0 HG3 PRO A 77 0.951 -2.533 15.654 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.990 -0.667 14.666 1.00 0.00 H new ATOM 0 HD3 PRO A 77 0.739 -0.410 14.799 1.00 0.00 H new ATOM 1082 N THR A 78 -1.247 -2.805 10.536 1.00 0.00 N ATOM 1083 CA THR A 78 -2.449 -3.143 9.792 1.00 0.00 C ATOM 1084 C THR A 78 -2.684 -4.654 9.816 1.00 0.00 C ATOM 1085 O THR A 78 -2.470 -5.335 8.814 1.00 0.00 O ATOM 1086 CB THR A 78 -2.307 -2.572 8.380 1.00 0.00 C ATOM 1087 OG1 THR A 78 -0.931 -2.766 8.063 1.00 0.00 O ATOM 1088 CG2 THR A 78 -2.487 -1.053 8.341 1.00 0.00 C ATOM 0 H THR A 78 -0.486 -2.430 9.970 1.00 0.00 H new ATOM 0 HA THR A 78 -3.334 -2.701 10.249 1.00 0.00 H new ATOM 0 HB THR A 78 -3.040 -3.041 7.724 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.850 -3.094 7.143 1.00 0.00 H new ATOM 0 HG21 THR A 78 -2.376 -0.700 7.316 1.00 0.00 H new ATOM 0 HG22 THR A 78 -3.480 -0.795 8.709 1.00 0.00 H new ATOM 0 HG23 THR A 78 -1.733 -0.581 8.971 1.00 0.00 H new ATOM 1096 N GLU A 79 -3.120 -5.135 10.971 1.00 0.00 N ATOM 1097 CA GLU A 79 -3.387 -6.553 11.138 1.00 0.00 C ATOM 1098 C GLU A 79 -3.954 -6.826 12.533 1.00 0.00 C ATOM 1099 O GLU A 79 -3.667 -7.861 13.132 1.00 0.00 O ATOM 1100 CB GLU A 79 -2.125 -7.381 10.888 1.00 0.00 C ATOM 1101 CG GLU A 79 -2.311 -8.319 9.694 1.00 0.00 C ATOM 1102 CD GLU A 79 -1.458 -9.580 9.848 1.00 0.00 C ATOM 1103 OE1 GLU A 79 -0.218 -9.429 9.847 1.00 0.00 O ATOM 1104 OE2 GLU A 79 -2.067 -10.666 9.963 1.00 0.00 O ATOM 0 H GLU A 79 -3.295 -4.568 11.800 1.00 0.00 H new ATOM 0 HA GLU A 79 -4.131 -6.852 10.400 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -1.281 -6.717 10.705 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.886 -7.963 11.778 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -3.362 -8.595 9.604 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.038 -7.801 8.774 1.00 0.00 H new ATOM 1111 N ASP A 80 -4.749 -5.879 13.009 1.00 0.00 N ATOM 1112 CA ASP A 80 -5.359 -6.004 14.322 1.00 0.00 C ATOM 1113 C ASP A 80 -6.324 -4.838 14.544 1.00 0.00 C ATOM 1114 O ASP A 80 -6.446 -4.332 15.658 1.00 0.00 O ATOM 1115 CB ASP A 80 -4.302 -5.960 15.427 1.00 0.00 C ATOM 1116 CG ASP A 80 -4.538 -6.930 16.586 1.00 0.00 C ATOM 1117 OD1 ASP A 80 -5.394 -6.601 17.436 1.00 0.00 O ATOM 1118 OD2 ASP A 80 -3.857 -7.978 16.597 1.00 0.00 O ATOM 0 H ASP A 80 -4.985 -5.022 12.509 1.00 0.00 H new ATOM 0 HA ASP A 80 -5.882 -6.960 14.361 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -3.328 -6.174 14.986 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -4.256 -4.946 15.825 1.00 0.00 H new ATOM 1123 N SER A 81 -6.986 -4.445 13.465 1.00 0.00 N ATOM 1124 CA SER A 81 -7.937 -3.348 13.529 1.00 0.00 C ATOM 1125 C SER A 81 -9.135 -3.642 12.625 1.00 0.00 C ATOM 1126 O SER A 81 -9.337 -4.780 12.205 1.00 0.00 O ATOM 1127 CB SER A 81 -7.279 -2.026 13.126 1.00 0.00 C ATOM 1128 OG SER A 81 -6.018 -1.841 13.764 1.00 0.00 O ATOM 0 H SER A 81 -6.882 -4.867 12.542 1.00 0.00 H new ATOM 0 HA SER A 81 -8.282 -3.252 14.559 1.00 0.00 H new ATOM 0 HB2 SER A 81 -7.145 -2.003 12.045 1.00 0.00 H new ATOM 0 HB3 SER A 81 -7.940 -1.199 13.383 1.00 0.00 H new ATOM 0 HG SER A 81 -6.103 -1.161 14.465 1.00 0.00 H new ATOM 1134 N THR A 82 -9.901 -2.595 12.352 1.00 0.00 N ATOM 1135 CA THR A 82 -11.074 -2.726 11.505 1.00 0.00 C ATOM 1136 C THR A 82 -10.968 -1.792 10.298 1.00 0.00 C ATOM 1137 O THR A 82 -10.307 -0.757 10.366 1.00 0.00 O ATOM 1138 CB THR A 82 -12.311 -2.466 12.368 1.00 0.00 C ATOM 1139 OG1 THR A 82 -12.284 -1.060 12.599 1.00 0.00 O ATOM 1140 CG2 THR A 82 -12.188 -3.076 13.766 1.00 0.00 C ATOM 0 H THR A 82 -9.732 -1.652 12.703 1.00 0.00 H new ATOM 0 HA THR A 82 -11.153 -3.731 11.092 1.00 0.00 H new ATOM 0 HB THR A 82 -13.192 -2.872 11.871 1.00 0.00 H new ATOM 0 HG1 THR A 82 -13.053 -0.804 13.150 1.00 0.00 H new ATOM 0 HG21 THR A 82 -13.092 -2.863 14.337 1.00 0.00 H new ATOM 0 HG22 THR A 82 -12.058 -4.155 13.682 1.00 0.00 H new ATOM 0 HG23 THR A 82 -11.326 -2.646 14.276 1.00 0.00 H new ATOM 1148 N PHE A 83 -11.630 -2.192 9.222 1.00 0.00 N ATOM 1149 CA PHE A 83 -11.618 -1.403 8.001 1.00 0.00 C ATOM 1150 C PHE A 83 -11.641 0.094 8.315 1.00 0.00 C ATOM 1151 O PHE A 83 -10.962 0.880 7.657 1.00 0.00 O ATOM 1152 CB PHE A 83 -12.883 -1.768 7.221 1.00 0.00 C ATOM 1153 CG PHE A 83 -12.858 -1.330 5.755 1.00 0.00 C ATOM 1154 CD1 PHE A 83 -12.711 -0.015 5.441 1.00 0.00 C ATOM 1155 CD2 PHE A 83 -12.983 -2.256 4.767 1.00 0.00 C ATOM 1156 CE1 PHE A 83 -12.688 0.391 4.080 1.00 0.00 C ATOM 1157 CE2 PHE A 83 -12.959 -1.850 3.407 1.00 0.00 C ATOM 1158 CZ PHE A 83 -12.813 -0.535 3.092 1.00 0.00 C ATOM 0 H PHE A 83 -12.178 -3.051 9.170 1.00 0.00 H new ATOM 0 HA PHE A 83 -10.713 -1.613 7.431 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -13.026 -2.848 7.265 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -13.744 -1.313 7.711 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -12.612 0.720 6.226 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -13.101 -3.300 5.017 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -12.571 1.435 3.830 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -13.057 -2.586 2.622 1.00 0.00 H new ATOM 0 HZ PHE A 83 -12.796 -0.226 2.057 1.00 0.00 H new ATOM 1168 N GLU A 84 -12.429 0.443 9.322 1.00 0.00 N ATOM 1169 CA GLU A 84 -12.549 1.832 9.731 1.00 0.00 C ATOM 1170 C GLU A 84 -11.196 2.364 10.209 1.00 0.00 C ATOM 1171 O GLU A 84 -10.710 3.375 9.706 1.00 0.00 O ATOM 1172 CB GLU A 84 -13.616 1.994 10.816 1.00 0.00 C ATOM 1173 CG GLU A 84 -14.996 1.591 10.292 1.00 0.00 C ATOM 1174 CD GLU A 84 -15.979 2.760 10.383 1.00 0.00 C ATOM 1175 OE1 GLU A 84 -16.198 3.231 11.520 1.00 0.00 O ATOM 1176 OE2 GLU A 84 -16.489 3.157 9.313 1.00 0.00 O ATOM 0 H GLU A 84 -12.990 -0.212 9.866 1.00 0.00 H new ATOM 0 HA GLU A 84 -12.863 2.418 8.868 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -13.358 1.381 11.680 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -13.640 3.029 11.156 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -14.914 1.260 9.257 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -15.375 0.746 10.867 1.00 0.00 H new ATOM 1183 N GLU A 85 -10.626 1.657 11.174 1.00 0.00 N ATOM 1184 CA GLU A 85 -9.339 2.045 11.725 1.00 0.00 C ATOM 1185 C GLU A 85 -8.432 2.592 10.621 1.00 0.00 C ATOM 1186 O GLU A 85 -8.172 3.793 10.565 1.00 0.00 O ATOM 1187 CB GLU A 85 -8.676 0.871 12.448 1.00 0.00 C ATOM 1188 CG GLU A 85 -9.083 0.834 13.922 1.00 0.00 C ATOM 1189 CD GLU A 85 -7.875 1.073 14.831 1.00 0.00 C ATOM 1190 OE1 GLU A 85 -7.450 2.245 14.913 1.00 0.00 O ATOM 1191 OE2 GLU A 85 -7.405 0.077 15.423 1.00 0.00 O ATOM 0 H GLU A 85 -11.032 0.818 11.588 1.00 0.00 H new ATOM 0 HA GLU A 85 -9.503 2.835 12.458 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -8.959 -0.064 11.965 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -7.592 0.956 12.368 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -9.842 1.593 14.113 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -9.532 -0.131 14.155 1.00 0.00 H new ATOM 1198 N ALA A 86 -7.976 1.685 9.770 1.00 0.00 N ATOM 1199 CA ALA A 86 -7.104 2.062 8.671 1.00 0.00 C ATOM 1200 C ALA A 86 -7.634 3.341 8.020 1.00 0.00 C ATOM 1201 O ALA A 86 -6.870 4.266 7.748 1.00 0.00 O ATOM 1202 CB ALA A 86 -7.003 0.902 7.678 1.00 0.00 C ATOM 0 H ALA A 86 -8.194 0.690 9.819 1.00 0.00 H new ATOM 0 HA ALA A 86 -6.097 2.269 9.034 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.349 1.185 6.853 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.594 0.026 8.182 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -7.994 0.667 7.290 1.00 0.00 H new ATOM 1208 N ASN A 87 -8.938 3.353 7.789 1.00 0.00 N ATOM 1209 CA ASN A 87 -9.580 4.504 7.176 1.00 0.00 C ATOM 1210 C ASN A 87 -9.339 5.739 8.045 1.00 0.00 C ATOM 1211 O ASN A 87 -8.895 6.774 7.550 1.00 0.00 O ATOM 1212 CB ASN A 87 -11.091 4.295 7.058 1.00 0.00 C ATOM 1213 CG ASN A 87 -11.610 4.793 5.708 1.00 0.00 C ATOM 1214 OD1 ASN A 87 -11.071 5.707 5.106 1.00 0.00 O ATOM 1215 ND2 ASN A 87 -12.684 4.144 5.269 1.00 0.00 N ATOM 0 H ASN A 87 -9.568 2.584 8.015 1.00 0.00 H new ATOM 0 HA ASN A 87 -9.156 4.636 6.180 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -11.325 3.237 7.174 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -11.599 4.824 7.864 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -13.107 4.402 4.378 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -13.085 3.388 5.824 1.00 0.00 H new ATOM 1222 N GLN A 88 -9.644 5.591 9.326 1.00 0.00 N ATOM 1223 CA GLN A 88 -9.466 6.682 10.269 1.00 0.00 C ATOM 1224 C GLN A 88 -8.032 7.210 10.206 1.00 0.00 C ATOM 1225 O GLN A 88 -7.814 8.419 10.137 1.00 0.00 O ATOM 1226 CB GLN A 88 -9.828 6.244 11.689 1.00 0.00 C ATOM 1227 CG GLN A 88 -10.817 7.219 12.329 1.00 0.00 C ATOM 1228 CD GLN A 88 -12.055 7.402 11.448 1.00 0.00 C ATOM 1229 OE1 GLN A 88 -12.379 8.492 11.007 1.00 0.00 O ATOM 1230 NE2 GLN A 88 -12.725 6.276 11.218 1.00 0.00 N ATOM 0 H GLN A 88 -10.013 4.732 9.733 1.00 0.00 H new ATOM 0 HA GLN A 88 -10.142 7.491 9.991 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -10.261 5.244 11.665 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -8.925 6.186 12.297 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -11.116 6.848 13.310 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -10.333 8.183 12.487 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -12.398 5.397 11.619 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -13.566 6.292 10.641 1.00 0.00 H new ATOM 1239 N LEU A 89 -7.090 6.278 10.232 1.00 0.00 N ATOM 1240 CA LEU A 89 -5.683 6.634 10.179 1.00 0.00 C ATOM 1241 C LEU A 89 -5.486 7.767 9.169 1.00 0.00 C ATOM 1242 O LEU A 89 -4.786 8.739 9.450 1.00 0.00 O ATOM 1243 CB LEU A 89 -4.828 5.399 9.892 1.00 0.00 C ATOM 1244 CG LEU A 89 -5.002 4.224 10.856 1.00 0.00 C ATOM 1245 CD1 LEU A 89 -3.873 3.204 10.688 1.00 0.00 C ATOM 1246 CD2 LEU A 89 -5.121 4.713 12.301 1.00 0.00 C ATOM 0 H LEU A 89 -7.274 5.276 10.289 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.348 7.007 11.147 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.053 5.052 8.883 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.780 5.698 9.900 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.934 3.716 10.610 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.021 2.379 11.385 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.877 2.822 9.667 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.916 3.684 10.892 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -5.244 3.858 12.966 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.219 5.259 12.576 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -5.985 5.371 12.393 1.00 0.00 H new ATOM 1258 N LEU A 90 -6.115 7.603 8.014 1.00 0.00 N ATOM 1259 CA LEU A 90 -6.017 8.600 6.961 1.00 0.00 C ATOM 1260 C LEU A 90 -6.575 9.930 7.471 1.00 0.00 C ATOM 1261 O LEU A 90 -5.821 10.871 7.715 1.00 0.00 O ATOM 1262 CB LEU A 90 -6.694 8.098 5.684 1.00 0.00 C ATOM 1263 CG LEU A 90 -5.912 7.061 4.874 1.00 0.00 C ATOM 1264 CD1 LEU A 90 -6.546 6.850 3.498 1.00 0.00 C ATOM 1265 CD2 LEU A 90 -4.435 7.445 4.773 1.00 0.00 C ATOM 0 H LEU A 90 -6.694 6.795 7.784 1.00 0.00 H new ATOM 0 HA LEU A 90 -4.974 8.773 6.695 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -7.659 7.668 5.953 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.895 8.955 5.042 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.961 6.108 5.400 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.972 6.109 2.943 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -7.571 6.499 3.620 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -6.548 7.792 2.950 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.902 6.692 4.193 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.344 8.414 4.281 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.005 7.504 5.773 1.00 0.00 H new ATOM 1277 N ARG A 91 -7.892 9.966 7.616 1.00 0.00 N ATOM 1278 CA ARG A 91 -8.560 11.166 8.092 1.00 0.00 C ATOM 1279 C ARG A 91 -7.708 11.861 9.156 1.00 0.00 C ATOM 1280 O ARG A 91 -7.534 13.078 9.119 1.00 0.00 O ATOM 1281 CB ARG A 91 -9.931 10.834 8.683 1.00 0.00 C ATOM 1282 CG ARG A 91 -10.892 10.344 7.598 1.00 0.00 C ATOM 1283 CD ARG A 91 -12.204 11.130 7.632 1.00 0.00 C ATOM 1284 NE ARG A 91 -12.092 12.339 6.786 1.00 0.00 N ATOM 1285 CZ ARG A 91 -13.141 13.010 6.292 1.00 0.00 C ATOM 1286 NH1 ARG A 91 -14.387 12.595 6.556 1.00 0.00 N ATOM 1287 NH2 ARG A 91 -12.944 14.097 5.533 1.00 0.00 N ATOM 0 H ARG A 91 -8.514 9.184 7.412 1.00 0.00 H new ATOM 0 HA ARG A 91 -8.696 11.831 7.239 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -9.824 10.069 9.452 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -10.345 11.718 9.169 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -10.425 10.451 6.619 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -11.096 9.283 7.740 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -13.022 10.503 7.278 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -12.441 11.414 8.657 1.00 0.00 H new ATOM 0 HE ARG A 91 -11.157 12.683 6.565 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -14.537 11.768 7.133 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -15.185 13.106 6.180 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -11.995 14.413 5.332 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -13.743 14.608 5.157 1.00 0.00 H new ATOM 1301 N ASP A 92 -7.199 11.058 10.079 1.00 0.00 N ATOM 1302 CA ASP A 92 -6.370 11.581 11.151 1.00 0.00 C ATOM 1303 C ASP A 92 -5.132 12.252 10.552 1.00 0.00 C ATOM 1304 O ASP A 92 -4.881 13.431 10.797 1.00 0.00 O ATOM 1305 CB ASP A 92 -5.896 10.460 12.078 1.00 0.00 C ATOM 1306 CG ASP A 92 -6.227 10.662 13.558 1.00 0.00 C ATOM 1307 OD1 ASP A 92 -7.200 11.399 13.827 1.00 0.00 O ATOM 1308 OD2 ASP A 92 -5.499 10.075 14.388 1.00 0.00 O ATOM 0 H ASP A 92 -7.345 10.049 10.106 1.00 0.00 H new ATOM 0 HA ASP A 92 -6.967 12.293 11.721 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -6.341 9.522 11.746 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -4.816 10.355 11.974 1.00 0.00 H new ATOM 1313 N SER A 93 -4.392 11.473 9.777 1.00 0.00 N ATOM 1314 CA SER A 93 -3.187 11.977 9.141 1.00 0.00 C ATOM 1315 C SER A 93 -3.439 13.379 8.581 1.00 0.00 C ATOM 1316 O SER A 93 -2.620 14.279 8.760 1.00 0.00 O ATOM 1317 CB SER A 93 -2.717 11.038 8.029 1.00 0.00 C ATOM 1318 OG SER A 93 -2.568 9.698 8.489 1.00 0.00 O ATOM 0 H SER A 93 -4.604 10.496 9.575 1.00 0.00 H new ATOM 0 HA SER A 93 -2.399 12.028 9.893 1.00 0.00 H new ATOM 0 HB2 SER A 93 -3.433 11.062 7.208 1.00 0.00 H new ATOM 0 HB3 SER A 93 -1.766 11.393 7.633 1.00 0.00 H new ATOM 0 HG SER A 93 -3.450 9.275 8.557 1.00 0.00 H new ATOM 1324 N SER A 94 -4.575 13.519 7.913 1.00 0.00 N ATOM 1325 CA SER A 94 -4.944 14.796 7.326 1.00 0.00 C ATOM 1326 C SER A 94 -4.565 15.937 8.272 1.00 0.00 C ATOM 1327 O SER A 94 -4.266 17.044 7.827 1.00 0.00 O ATOM 1328 CB SER A 94 -6.440 14.844 7.009 1.00 0.00 C ATOM 1329 OG SER A 94 -7.213 15.241 8.138 1.00 0.00 O ATOM 0 H SER A 94 -5.251 12.770 7.765 1.00 0.00 H new ATOM 0 HA SER A 94 -4.397 14.913 6.390 1.00 0.00 H new ATOM 0 HB2 SER A 94 -6.614 15.539 6.188 1.00 0.00 H new ATOM 0 HB3 SER A 94 -6.770 13.862 6.671 1.00 0.00 H new ATOM 0 HG SER A 94 -7.175 14.541 8.823 1.00 0.00 H new ATOM 1335 N ILE A 95 -4.591 15.628 9.560 1.00 0.00 N ATOM 1336 CA ILE A 95 -4.254 16.613 10.573 1.00 0.00 C ATOM 1337 C ILE A 95 -2.899 17.240 10.238 1.00 0.00 C ATOM 1338 O ILE A 95 -2.829 18.404 9.848 1.00 0.00 O ATOM 1339 CB ILE A 95 -4.314 15.989 11.969 1.00 0.00 C ATOM 1340 CG1 ILE A 95 -5.763 15.781 12.415 1.00 0.00 C ATOM 1341 CG2 ILE A 95 -3.519 16.821 12.977 1.00 0.00 C ATOM 1342 CD1 ILE A 95 -5.860 14.672 13.464 1.00 0.00 C ATOM 0 H ILE A 95 -4.840 14.709 9.925 1.00 0.00 H new ATOM 0 HA ILE A 95 -4.987 17.420 10.578 1.00 0.00 H new ATOM 0 HB ILE A 95 -3.846 15.006 11.923 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -6.158 16.710 12.826 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -6.380 15.526 11.553 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -3.578 16.355 13.961 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -2.477 16.874 12.663 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -3.935 17.827 13.026 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -6.900 14.545 13.764 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.487 13.739 13.042 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -5.262 14.941 14.335 1.00 0.00 H new ATOM 1354 N THR A 96 -1.856 16.440 10.403 1.00 0.00 N ATOM 1355 CA THR A 96 -0.507 16.902 10.123 1.00 0.00 C ATOM 1356 C THR A 96 -0.345 17.202 8.631 1.00 0.00 C ATOM 1357 O THR A 96 0.659 17.779 8.216 1.00 0.00 O ATOM 1358 CB THR A 96 0.472 15.845 10.639 1.00 0.00 C ATOM 1359 OG1 THR A 96 1.756 16.378 10.325 1.00 0.00 O ATOM 1360 CG2 THR A 96 0.403 14.543 9.839 1.00 0.00 C ATOM 0 H THR A 96 -1.918 15.475 10.727 1.00 0.00 H new ATOM 0 HA THR A 96 -0.296 17.840 10.637 1.00 0.00 H new ATOM 0 HB THR A 96 0.262 15.638 11.688 1.00 0.00 H new ATOM 0 HG1 THR A 96 1.673 17.017 9.587 1.00 0.00 H new ATOM 0 HG21 THR A 96 1.117 13.827 10.246 1.00 0.00 H new ATOM 0 HG22 THR A 96 -0.603 14.129 9.904 1.00 0.00 H new ATOM 0 HG23 THR A 96 0.646 14.744 8.795 1.00 0.00 H new ATOM 1368 N SER A 97 -1.349 16.798 7.867 1.00 0.00 N ATOM 1369 CA SER A 97 -1.331 17.017 6.430 1.00 0.00 C ATOM 1370 C SER A 97 -0.284 16.113 5.776 1.00 0.00 C ATOM 1371 O SER A 97 0.238 16.432 4.709 1.00 0.00 O ATOM 1372 CB SER A 97 -1.046 18.483 6.100 1.00 0.00 C ATOM 1373 OG SER A 97 -2.188 19.140 5.557 1.00 0.00 O ATOM 0 H SER A 97 -2.180 16.320 8.215 1.00 0.00 H new ATOM 0 HA SER A 97 -2.315 16.768 6.034 1.00 0.00 H new ATOM 0 HB2 SER A 97 -0.725 19.002 7.003 1.00 0.00 H new ATOM 0 HB3 SER A 97 -0.222 18.541 5.389 1.00 0.00 H new ATOM 0 HG SER A 97 -1.966 20.074 5.361 1.00 0.00 H new ATOM 1379 N LYS A 98 -0.007 15.003 6.444 1.00 0.00 N ATOM 1380 CA LYS A 98 0.969 14.050 5.942 1.00 0.00 C ATOM 1381 C LYS A 98 0.585 12.643 6.403 1.00 0.00 C ATOM 1382 O LYS A 98 0.417 12.401 7.597 1.00 0.00 O ATOM 1383 CB LYS A 98 2.384 14.467 6.349 1.00 0.00 C ATOM 1384 CG LYS A 98 3.405 14.051 5.289 1.00 0.00 C ATOM 1385 CD LYS A 98 3.730 15.217 4.353 1.00 0.00 C ATOM 1386 CE LYS A 98 5.214 15.584 4.431 1.00 0.00 C ATOM 1387 NZ LYS A 98 5.519 16.239 5.722 1.00 0.00 N ATOM 0 H LYS A 98 -0.441 14.742 7.329 1.00 0.00 H new ATOM 0 HA LYS A 98 0.966 14.040 4.852 1.00 0.00 H new ATOM 0 HB2 LYS A 98 2.422 15.547 6.491 1.00 0.00 H new ATOM 0 HB3 LYS A 98 2.641 14.010 7.305 1.00 0.00 H new ATOM 0 HG2 LYS A 98 4.317 13.704 5.774 1.00 0.00 H new ATOM 0 HG3 LYS A 98 3.014 13.214 4.711 1.00 0.00 H new ATOM 0 HD2 LYS A 98 3.471 14.949 3.329 1.00 0.00 H new ATOM 0 HD3 LYS A 98 3.123 16.082 4.619 1.00 0.00 H new ATOM 0 HE2 LYS A 98 5.823 14.687 4.319 1.00 0.00 H new ATOM 0 HE3 LYS A 98 5.474 16.250 3.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 6.530 16.481 5.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 4.952 17.106 5.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 5.290 15.591 6.503 1.00 0.00 H new ATOM 1401 N VAL A 99 0.459 11.751 5.431 1.00 0.00 N ATOM 1402 CA VAL A 99 0.098 10.374 5.722 1.00 0.00 C ATOM 1403 C VAL A 99 1.268 9.457 5.358 1.00 0.00 C ATOM 1404 O VAL A 99 1.965 9.696 4.373 1.00 0.00 O ATOM 1405 CB VAL A 99 -1.198 10.007 4.996 1.00 0.00 C ATOM 1406 CG1 VAL A 99 -1.011 10.067 3.478 1.00 0.00 C ATOM 1407 CG2 VAL A 99 -1.700 8.630 5.433 1.00 0.00 C ATOM 0 H VAL A 99 0.600 11.955 4.442 1.00 0.00 H new ATOM 0 HA VAL A 99 -0.096 10.247 6.787 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.956 10.741 5.270 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -1.947 9.802 2.985 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.721 11.077 3.187 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -0.232 9.365 3.179 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.622 8.394 4.902 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.946 7.878 5.203 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.891 8.636 6.506 1.00 0.00 H new ATOM 1417 N THR A 100 1.446 8.426 6.171 1.00 0.00 N ATOM 1418 CA THR A 100 2.519 7.473 5.947 1.00 0.00 C ATOM 1419 C THR A 100 1.950 6.068 5.741 1.00 0.00 C ATOM 1420 O THR A 100 1.257 5.542 6.610 1.00 0.00 O ATOM 1421 CB THR A 100 3.491 7.568 7.125 1.00 0.00 C ATOM 1422 OG1 THR A 100 4.239 8.752 6.863 1.00 0.00 O ATOM 1423 CG2 THR A 100 4.540 6.454 7.110 1.00 0.00 C ATOM 0 H THR A 100 0.865 8.230 6.986 1.00 0.00 H new ATOM 0 HA THR A 100 3.069 7.704 5.035 1.00 0.00 H new ATOM 0 HB THR A 100 2.933 7.528 8.060 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.179 8.519 6.715 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.204 6.568 7.967 1.00 0.00 H new ATOM 0 HG22 THR A 100 4.043 5.485 7.163 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.121 6.514 6.190 1.00 0.00 H new ATOM 1431 N LEU A 101 2.263 5.500 4.586 1.00 0.00 N ATOM 1432 CA LEU A 101 1.791 4.166 4.255 1.00 0.00 C ATOM 1433 C LEU A 101 2.991 3.260 3.975 1.00 0.00 C ATOM 1434 O LEU A 101 3.828 3.575 3.130 1.00 0.00 O ATOM 1435 CB LEU A 101 0.783 4.224 3.105 1.00 0.00 C ATOM 1436 CG LEU A 101 -0.420 5.147 3.313 1.00 0.00 C ATOM 1437 CD1 LEU A 101 -1.134 5.424 1.989 1.00 0.00 C ATOM 1438 CD2 LEU A 101 -1.370 4.579 4.369 1.00 0.00 C ATOM 0 H LEU A 101 2.838 5.939 3.867 1.00 0.00 H new ATOM 0 HA LEU A 101 1.253 3.732 5.098 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.308 4.541 2.204 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.414 3.215 2.920 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.056 6.103 3.688 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -1.985 6.082 2.165 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -0.442 5.903 1.296 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -1.484 4.485 1.561 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -2.216 5.254 4.498 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -1.731 3.602 4.046 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.841 4.476 5.316 1.00 0.00 H new ATOM 1450 N GLU A 102 3.038 2.152 4.700 1.00 0.00 N ATOM 1451 CA GLU A 102 4.122 1.198 4.541 1.00 0.00 C ATOM 1452 C GLU A 102 3.737 0.122 3.524 1.00 0.00 C ATOM 1453 O GLU A 102 2.883 -0.720 3.799 1.00 0.00 O ATOM 1454 CB GLU A 102 4.504 0.572 5.883 1.00 0.00 C ATOM 1455 CG GLU A 102 5.944 0.057 5.859 1.00 0.00 C ATOM 1456 CD GLU A 102 6.592 0.173 7.240 1.00 0.00 C ATOM 1457 OE1 GLU A 102 6.752 1.325 7.697 1.00 0.00 O ATOM 1458 OE2 GLU A 102 6.912 -0.894 7.808 1.00 0.00 O ATOM 0 H GLU A 102 2.342 1.894 5.400 1.00 0.00 H new ATOM 0 HA GLU A 102 4.996 1.730 4.165 1.00 0.00 H new ATOM 0 HB2 GLU A 102 4.391 1.310 6.677 1.00 0.00 H new ATOM 0 HB3 GLU A 102 3.824 -0.249 6.112 1.00 0.00 H new ATOM 0 HG2 GLU A 102 5.956 -0.983 5.534 1.00 0.00 H new ATOM 0 HG3 GLU A 102 6.525 0.625 5.132 1.00 0.00 H new ATOM 1465 N ILE A 103 4.385 0.184 2.370 1.00 0.00 N ATOM 1466 CA ILE A 103 4.120 -0.775 1.310 1.00 0.00 C ATOM 1467 C ILE A 103 5.316 -1.719 1.173 1.00 0.00 C ATOM 1468 O ILE A 103 6.397 -1.436 1.687 1.00 0.00 O ATOM 1469 CB ILE A 103 3.755 -0.052 0.012 1.00 0.00 C ATOM 1470 CG1 ILE A 103 2.623 0.951 0.243 1.00 0.00 C ATOM 1471 CG2 ILE A 103 3.417 -1.051 -1.096 1.00 0.00 C ATOM 1472 CD1 ILE A 103 1.257 0.266 0.161 1.00 0.00 C ATOM 0 H ILE A 103 5.093 0.883 2.145 1.00 0.00 H new ATOM 0 HA ILE A 103 3.255 -1.389 1.559 1.00 0.00 H new ATOM 0 HB ILE A 103 4.625 0.514 -0.319 1.00 0.00 H new ATOM 0 HG12 ILE A 103 2.741 1.419 1.220 1.00 0.00 H new ATOM 0 HG13 ILE A 103 2.680 1.746 -0.500 1.00 0.00 H new ATOM 0 HG21 ILE A 103 3.161 -0.511 -2.007 1.00 0.00 H new ATOM 0 HG22 ILE A 103 4.279 -1.692 -1.284 1.00 0.00 H new ATOM 0 HG23 ILE A 103 2.570 -1.664 -0.788 1.00 0.00 H new ATOM 0 HD11 ILE A 103 0.470 1.002 0.329 1.00 0.00 H new ATOM 0 HD12 ILE A 103 1.132 -0.180 -0.826 1.00 0.00 H new ATOM 0 HD13 ILE A 103 1.194 -0.512 0.921 1.00 0.00 H new ATOM 1484 N GLU A 104 5.082 -2.821 0.476 1.00 0.00 N ATOM 1485 CA GLU A 104 6.127 -3.808 0.264 1.00 0.00 C ATOM 1486 C GLU A 104 6.022 -4.399 -1.144 1.00 0.00 C ATOM 1487 O GLU A 104 4.968 -4.899 -1.534 1.00 0.00 O ATOM 1488 CB GLU A 104 6.066 -4.908 1.326 1.00 0.00 C ATOM 1489 CG GLU A 104 6.801 -6.165 0.857 1.00 0.00 C ATOM 1490 CD GLU A 104 7.440 -6.899 2.037 1.00 0.00 C ATOM 1491 OE1 GLU A 104 7.883 -6.196 2.970 1.00 0.00 O ATOM 1492 OE2 GLU A 104 7.471 -8.148 1.979 1.00 0.00 O ATOM 0 H GLU A 104 4.184 -3.052 0.051 1.00 0.00 H new ATOM 0 HA GLU A 104 7.093 -3.311 0.357 1.00 0.00 H new ATOM 0 HB2 GLU A 104 6.510 -4.548 2.254 1.00 0.00 H new ATOM 0 HB3 GLU A 104 5.026 -5.151 1.544 1.00 0.00 H new ATOM 0 HG2 GLU A 104 6.104 -6.829 0.346 1.00 0.00 H new ATOM 0 HG3 GLU A 104 7.570 -5.893 0.134 1.00 0.00 H new ATOM 1499 N PHE A 105 7.129 -4.321 -1.868 1.00 0.00 N ATOM 1500 CA PHE A 105 7.174 -4.841 -3.223 1.00 0.00 C ATOM 1501 C PHE A 105 8.339 -5.818 -3.397 1.00 0.00 C ATOM 1502 O PHE A 105 9.118 -6.032 -2.470 1.00 0.00 O ATOM 1503 CB PHE A 105 7.384 -3.646 -4.155 1.00 0.00 C ATOM 1504 CG PHE A 105 8.529 -2.723 -3.735 1.00 0.00 C ATOM 1505 CD1 PHE A 105 8.394 -1.926 -2.641 1.00 0.00 C ATOM 1506 CD2 PHE A 105 9.683 -2.700 -4.455 1.00 0.00 C ATOM 1507 CE1 PHE A 105 9.457 -1.069 -2.251 1.00 0.00 C ATOM 1508 CE2 PHE A 105 10.746 -1.843 -4.065 1.00 0.00 C ATOM 1509 CZ PHE A 105 10.611 -1.046 -2.971 1.00 0.00 C ATOM 0 H PHE A 105 8.001 -3.905 -1.541 1.00 0.00 H new ATOM 0 HA PHE A 105 6.250 -5.374 -3.447 1.00 0.00 H new ATOM 0 HB2 PHE A 105 7.578 -4.014 -5.162 1.00 0.00 H new ATOM 0 HB3 PHE A 105 6.462 -3.067 -4.200 1.00 0.00 H new ATOM 0 HD1 PHE A 105 7.478 -1.945 -2.069 1.00 0.00 H new ATOM 0 HD2 PHE A 105 9.791 -3.333 -5.323 1.00 0.00 H new ATOM 0 HE1 PHE A 105 9.349 -0.436 -1.383 1.00 0.00 H new ATOM 0 HE2 PHE A 105 11.662 -1.824 -4.637 1.00 0.00 H new ATOM 0 HZ PHE A 105 11.420 -0.395 -2.674 1.00 0.00 H new ATOM 1519 N ASP A 106 8.421 -6.386 -4.592 1.00 0.00 N ATOM 1520 CA ASP A 106 9.477 -7.335 -4.898 1.00 0.00 C ATOM 1521 C ASP A 106 10.505 -6.669 -5.815 1.00 0.00 C ATOM 1522 O ASP A 106 10.193 -5.696 -6.500 1.00 0.00 O ATOM 1523 CB ASP A 106 8.921 -8.562 -5.625 1.00 0.00 C ATOM 1524 CG ASP A 106 7.554 -9.040 -5.133 1.00 0.00 C ATOM 1525 OD1 ASP A 106 7.518 -9.615 -4.024 1.00 0.00 O ATOM 1526 OD2 ASP A 106 6.574 -8.819 -5.878 1.00 0.00 O ATOM 0 H ASP A 106 7.773 -6.207 -5.359 1.00 0.00 H new ATOM 0 HA ASP A 106 9.932 -7.647 -3.958 1.00 0.00 H new ATOM 0 HB2 ASP A 106 8.848 -8.334 -6.688 1.00 0.00 H new ATOM 0 HB3 ASP A 106 9.634 -9.380 -5.523 1.00 0.00 H new