USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=19 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 :FLIP amide:sc= 0.698 F(o=-0.056,f=0.94) USER MOD Set 1.2: A 93 SER OG : rot -65:sc= 0.246 USER MOD Single : A 13 HIS : no HD1:sc= -0.0173 X(o=-0.017,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0183 USER MOD Single : A 17 THR OG1 : rot 180:sc=-0.00838 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.053 USER MOD Single : A 27 THR OG1 : rot -180:sc= 0.59 USER MOD Single : A 32 GLN : amide:sc= -0.0118 X(o=-0.012,f=-0.033) USER MOD Single : A 34 GLN : amide:sc= -3.42! C(o=-3.4!,f=-4.9!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -106:sc= 0.174 USER MOD Single : A 61 CYS SG : rot 77:sc= 0.811 USER MOD Single : A 65 GLN : amide:sc=-0.00401 X(o=-0.004,f=-0.1) USER MOD Single : A 71 MET CE :methyl -151:sc= -0.482 (180deg=-2.27!) USER MOD Single : A 78 THR OG1 : rot 126:sc= -1.63 USER MOD Single : A 81 SER OG : rot -83:sc= -0.5! USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 GLN : amide:sc= -0.316 X(o=-0.32,f=-0.31) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot -33:sc= 0.207 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 132 N HIS A 13 13.882 -11.354 -1.591 1.00 0.00 N ATOM 133 CA HIS A 13 13.707 -10.370 -0.536 1.00 0.00 C ATOM 134 C HIS A 13 12.618 -9.374 -0.939 1.00 0.00 C ATOM 135 O HIS A 13 12.247 -9.293 -2.109 1.00 0.00 O ATOM 136 CB HIS A 13 15.037 -9.691 -0.201 1.00 0.00 C ATOM 137 CG HIS A 13 15.621 -8.889 -1.339 1.00 0.00 C ATOM 138 ND1 HIS A 13 16.619 -9.376 -2.165 1.00 0.00 N ATOM 139 CD2 HIS A 13 15.337 -7.630 -1.780 1.00 0.00 C ATOM 140 CE1 HIS A 13 16.915 -8.444 -3.059 1.00 0.00 C ATOM 141 NE2 HIS A 13 16.120 -7.362 -2.818 1.00 0.00 N ATOM 0 HA HIS A 13 13.378 -10.865 0.378 1.00 0.00 H new ATOM 0 HB2 HIS A 13 14.892 -9.034 0.656 1.00 0.00 H new ATOM 0 HB3 HIS A 13 15.756 -10.453 0.100 1.00 0.00 H new ATOM 0 HD2 HIS A 13 14.600 -6.964 -1.356 1.00 0.00 H new ATOM 0 HE1 HIS A 13 17.655 -8.526 -3.841 1.00 0.00 H new ATOM 0 HE2 HIS A 13 16.126 -6.491 -3.348 1.00 0.00 H new ATOM 149 N THR A 14 12.136 -8.640 0.054 1.00 0.00 N ATOM 150 CA THR A 14 11.096 -7.653 -0.182 1.00 0.00 C ATOM 151 C THR A 14 11.518 -6.291 0.372 1.00 0.00 C ATOM 152 O THR A 14 12.163 -6.215 1.417 1.00 0.00 O ATOM 153 CB THR A 14 9.796 -8.181 0.428 1.00 0.00 C ATOM 154 OG1 THR A 14 10.222 -8.911 1.575 1.00 0.00 O ATOM 155 CG2 THR A 14 9.120 -9.233 -0.453 1.00 0.00 C ATOM 0 H THR A 14 12.447 -8.709 1.023 1.00 0.00 H new ATOM 0 HA THR A 14 10.932 -7.498 -1.248 1.00 0.00 H new ATOM 0 HB THR A 14 9.110 -7.351 0.593 1.00 0.00 H new ATOM 0 HG1 THR A 14 9.441 -9.287 2.032 1.00 0.00 H new ATOM 0 HG21 THR A 14 8.202 -9.574 0.026 1.00 0.00 H new ATOM 0 HG22 THR A 14 8.882 -8.797 -1.423 1.00 0.00 H new ATOM 0 HG23 THR A 14 9.793 -10.079 -0.591 1.00 0.00 H new ATOM 163 N GLU A 15 11.138 -5.249 -0.352 1.00 0.00 N ATOM 164 CA GLU A 15 11.469 -3.894 0.054 1.00 0.00 C ATOM 165 C GLU A 15 10.195 -3.109 0.371 1.00 0.00 C ATOM 166 O GLU A 15 9.132 -3.395 -0.177 1.00 0.00 O ATOM 167 CB GLU A 15 12.296 -3.186 -1.022 1.00 0.00 C ATOM 168 CG GLU A 15 13.759 -3.631 -0.970 1.00 0.00 C ATOM 169 CD GLU A 15 14.619 -2.799 -1.923 1.00 0.00 C ATOM 170 OE1 GLU A 15 14.871 -1.623 -1.580 1.00 0.00 O ATOM 171 OE2 GLU A 15 15.005 -3.357 -2.973 1.00 0.00 O ATOM 0 H GLU A 15 10.604 -5.316 -1.218 1.00 0.00 H new ATOM 0 HA GLU A 15 12.076 -3.944 0.958 1.00 0.00 H new ATOM 0 HB2 GLU A 15 11.881 -3.403 -2.006 1.00 0.00 H new ATOM 0 HB3 GLU A 15 12.235 -2.107 -0.881 1.00 0.00 H new ATOM 0 HG2 GLU A 15 14.137 -3.532 0.047 1.00 0.00 H new ATOM 0 HG3 GLU A 15 13.832 -4.686 -1.236 1.00 0.00 H new ATOM 178 N THR A 16 10.344 -2.134 1.256 1.00 0.00 N ATOM 179 CA THR A 16 9.219 -1.305 1.653 1.00 0.00 C ATOM 180 C THR A 16 9.477 0.157 1.286 1.00 0.00 C ATOM 181 O THR A 16 10.595 0.649 1.430 1.00 0.00 O ATOM 182 CB THR A 16 8.976 -1.522 3.148 1.00 0.00 C ATOM 183 OG1 THR A 16 10.271 -1.798 3.674 1.00 0.00 O ATOM 184 CG2 THR A 16 8.180 -2.797 3.433 1.00 0.00 C ATOM 0 H THR A 16 11.227 -1.900 1.709 1.00 0.00 H new ATOM 0 HA THR A 16 8.313 -1.586 1.117 1.00 0.00 H new ATOM 0 HB THR A 16 8.445 -0.663 3.557 1.00 0.00 H new ATOM 0 HG1 THR A 16 10.206 -1.950 4.640 1.00 0.00 H new ATOM 0 HG21 THR A 16 8.036 -2.903 4.508 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.209 -2.738 2.941 1.00 0.00 H new ATOM 0 HG23 THR A 16 8.727 -3.660 3.054 1.00 0.00 H new ATOM 192 N THR A 17 8.424 0.812 0.818 1.00 0.00 N ATOM 193 CA THR A 17 8.524 2.208 0.429 1.00 0.00 C ATOM 194 C THR A 17 7.611 3.071 1.303 1.00 0.00 C ATOM 195 O THR A 17 6.580 2.603 1.782 1.00 0.00 O ATOM 196 CB THR A 17 8.206 2.307 -1.064 1.00 0.00 C ATOM 197 OG1 THR A 17 8.311 3.698 -1.351 1.00 0.00 O ATOM 198 CG2 THR A 17 6.745 1.972 -1.375 1.00 0.00 C ATOM 0 H THR A 17 7.498 0.401 0.700 1.00 0.00 H new ATOM 0 HA THR A 17 9.532 2.592 0.587 1.00 0.00 H new ATOM 0 HB THR A 17 8.859 1.634 -1.619 1.00 0.00 H new ATOM 0 HG1 THR A 17 8.122 3.851 -2.300 1.00 0.00 H new ATOM 0 HG21 THR A 17 6.573 2.057 -2.448 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.529 0.953 -1.053 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.092 2.666 -0.846 1.00 0.00 H new ATOM 206 N GLU A 18 8.024 4.317 1.483 1.00 0.00 N ATOM 207 CA GLU A 18 7.257 5.250 2.291 1.00 0.00 C ATOM 208 C GLU A 18 6.608 6.313 1.402 1.00 0.00 C ATOM 209 O GLU A 18 7.304 7.094 0.753 1.00 0.00 O ATOM 210 CB GLU A 18 8.134 5.895 3.366 1.00 0.00 C ATOM 211 CG GLU A 18 7.474 7.155 3.929 1.00 0.00 C ATOM 212 CD GLU A 18 8.145 7.590 5.233 1.00 0.00 C ATOM 213 OE1 GLU A 18 8.602 6.686 5.965 1.00 0.00 O ATOM 214 OE2 GLU A 18 8.187 8.817 5.468 1.00 0.00 O ATOM 0 H GLU A 18 8.880 4.702 1.083 1.00 0.00 H new ATOM 0 HA GLU A 18 6.467 4.696 2.798 1.00 0.00 H new ATOM 0 HB2 GLU A 18 8.311 5.182 4.171 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.107 6.147 2.944 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.537 7.961 3.197 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.415 6.967 4.106 1.00 0.00 H new ATOM 221 N VAL A 19 5.283 6.310 1.400 1.00 0.00 N ATOM 222 CA VAL A 19 4.534 7.265 0.601 1.00 0.00 C ATOM 223 C VAL A 19 3.963 8.351 1.515 1.00 0.00 C ATOM 224 O VAL A 19 3.128 8.070 2.374 1.00 0.00 O ATOM 225 CB VAL A 19 3.457 6.539 -0.208 1.00 0.00 C ATOM 226 CG1 VAL A 19 2.894 7.442 -1.307 1.00 0.00 C ATOM 227 CG2 VAL A 19 4.000 5.234 -0.796 1.00 0.00 C ATOM 0 H VAL A 19 4.709 5.662 1.939 1.00 0.00 H new ATOM 0 HA VAL A 19 5.188 7.756 -0.119 1.00 0.00 H new ATOM 0 HB VAL A 19 2.641 6.288 0.470 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.131 6.901 -1.867 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.452 8.331 -0.857 1.00 0.00 H new ATOM 0 HG13 VAL A 19 3.697 7.738 -1.982 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.215 4.737 -1.366 1.00 0.00 H new ATOM 0 HG22 VAL A 19 4.842 5.453 -1.453 1.00 0.00 H new ATOM 0 HG23 VAL A 19 4.330 4.581 0.012 1.00 0.00 H new ATOM 237 N VAL A 20 4.437 9.570 1.299 1.00 0.00 N ATOM 238 CA VAL A 20 3.984 10.700 2.093 1.00 0.00 C ATOM 239 C VAL A 20 3.014 11.544 1.264 1.00 0.00 C ATOM 240 O VAL A 20 3.437 12.345 0.432 1.00 0.00 O ATOM 241 CB VAL A 20 5.187 11.497 2.601 1.00 0.00 C ATOM 242 CG1 VAL A 20 4.739 12.804 3.259 1.00 0.00 C ATOM 243 CG2 VAL A 20 6.033 10.661 3.562 1.00 0.00 C ATOM 0 H VAL A 20 5.130 9.800 0.586 1.00 0.00 H new ATOM 0 HA VAL A 20 3.443 10.356 2.975 1.00 0.00 H new ATOM 0 HB VAL A 20 5.809 11.750 1.742 1.00 0.00 H new ATOM 0 HG11 VAL A 20 5.613 13.352 3.612 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.199 13.411 2.532 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.086 12.581 4.103 1.00 0.00 H new ATOM 0 HG21 VAL A 20 6.881 11.252 3.908 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.426 10.363 4.417 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.396 9.771 3.047 1.00 0.00 H new ATOM 253 N LEU A 21 1.731 11.335 1.519 1.00 0.00 N ATOM 254 CA LEU A 21 0.697 12.066 0.807 1.00 0.00 C ATOM 255 C LEU A 21 0.277 13.283 1.634 1.00 0.00 C ATOM 256 O LEU A 21 -0.480 13.153 2.595 1.00 0.00 O ATOM 257 CB LEU A 21 -0.464 11.138 0.445 1.00 0.00 C ATOM 258 CG LEU A 21 -0.111 9.930 -0.426 1.00 0.00 C ATOM 259 CD1 LEU A 21 1.251 10.117 -1.096 1.00 0.00 C ATOM 260 CD2 LEU A 21 -0.179 8.633 0.383 1.00 0.00 C ATOM 0 H LEU A 21 1.384 10.669 2.209 1.00 0.00 H new ATOM 0 HA LEU A 21 1.081 12.442 -0.141 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.915 10.775 1.369 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.224 11.724 -0.072 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.853 9.853 -1.221 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.478 9.245 -1.709 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.228 11.007 -1.725 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.020 10.233 -0.332 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.076 7.790 -0.259 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.526 8.684 1.212 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.188 8.500 0.773 1.00 0.00 H new ATOM 272 N THR A 22 0.787 14.437 1.232 1.00 0.00 N ATOM 273 CA THR A 22 0.474 15.676 1.924 1.00 0.00 C ATOM 274 C THR A 22 -1.005 16.026 1.748 1.00 0.00 C ATOM 275 O THR A 22 -1.404 16.545 0.707 1.00 0.00 O ATOM 276 CB THR A 22 1.421 16.760 1.405 1.00 0.00 C ATOM 277 OG1 THR A 22 2.658 16.079 1.216 1.00 0.00 O ATOM 278 CG2 THR A 22 1.736 17.818 2.464 1.00 0.00 C ATOM 0 H THR A 22 1.415 14.541 0.435 1.00 0.00 H new ATOM 0 HA THR A 22 0.627 15.578 2.999 1.00 0.00 H new ATOM 0 HB THR A 22 0.979 17.241 0.532 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.330 16.708 0.879 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.412 18.563 2.044 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.812 18.303 2.780 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.209 17.343 3.324 1.00 0.00 H new ATOM 286 N ALA A 23 -1.777 15.729 2.782 1.00 0.00 N ATOM 287 CA ALA A 23 -3.204 16.006 2.755 1.00 0.00 C ATOM 288 C ALA A 23 -3.453 17.298 1.976 1.00 0.00 C ATOM 289 O ALA A 23 -3.329 18.392 2.524 1.00 0.00 O ATOM 290 CB ALA A 23 -3.737 16.077 4.188 1.00 0.00 C ATOM 0 H ALA A 23 -1.442 15.299 3.644 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.741 15.206 2.246 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.807 16.285 4.168 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.561 15.125 4.689 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.223 16.872 4.728 1.00 0.00 H new ATOM 296 N ASP A 24 -3.800 17.129 0.708 1.00 0.00 N ATOM 297 CA ASP A 24 -4.068 18.268 -0.153 1.00 0.00 C ATOM 298 C ASP A 24 -5.223 19.083 0.432 1.00 0.00 C ATOM 299 O ASP A 24 -5.929 18.615 1.324 1.00 0.00 O ATOM 300 CB ASP A 24 -4.472 17.815 -1.557 1.00 0.00 C ATOM 301 CG ASP A 24 -3.633 18.404 -2.693 1.00 0.00 C ATOM 302 OD1 ASP A 24 -2.496 18.830 -2.397 1.00 0.00 O ATOM 303 OD2 ASP A 24 -4.148 18.413 -3.832 1.00 0.00 O ATOM 0 H ASP A 24 -3.902 16.220 0.257 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.158 18.865 -0.215 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.408 16.728 -1.604 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.516 18.080 -1.722 1.00 0.00 H new ATOM 308 N PRO A 25 -5.385 20.321 -0.109 1.00 0.00 N ATOM 309 CA PRO A 25 -6.443 21.205 0.349 1.00 0.00 C ATOM 310 C PRO A 25 -7.804 20.755 -0.186 1.00 0.00 C ATOM 311 O PRO A 25 -8.822 21.389 0.086 1.00 0.00 O ATOM 312 CB PRO A 25 -6.040 22.587 -0.139 1.00 0.00 C ATOM 313 CG PRO A 25 -5.021 22.358 -1.243 1.00 0.00 C ATOM 314 CD PRO A 25 -4.569 20.908 -1.167 1.00 0.00 C ATOM 0 HA PRO A 25 -6.557 21.198 1.433 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -6.904 23.137 -0.513 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -5.612 23.178 0.671 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -5.460 22.570 -2.218 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -4.171 23.030 -1.123 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -4.723 20.395 -2.116 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -3.507 20.836 -0.934 1.00 0.00 H new ATOM 322 N VAL A 26 -7.777 19.664 -0.937 1.00 0.00 N ATOM 323 CA VAL A 26 -8.996 19.122 -1.513 1.00 0.00 C ATOM 324 C VAL A 26 -8.936 17.594 -1.479 1.00 0.00 C ATOM 325 O VAL A 26 -9.808 16.948 -0.900 1.00 0.00 O ATOM 326 CB VAL A 26 -9.203 19.681 -2.923 1.00 0.00 C ATOM 327 CG1 VAL A 26 -10.198 18.827 -3.711 1.00 0.00 C ATOM 328 CG2 VAL A 26 -9.654 21.142 -2.873 1.00 0.00 C ATOM 0 H VAL A 26 -6.930 19.141 -1.160 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.863 19.426 -0.927 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.245 19.644 -3.442 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.327 19.246 -4.709 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.819 17.808 -3.791 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -11.158 18.817 -3.195 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.794 21.515 -3.888 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.595 21.214 -2.327 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.895 21.740 -2.368 1.00 0.00 H new ATOM 338 N THR A 27 -7.898 17.061 -2.107 1.00 0.00 N ATOM 339 CA THR A 27 -7.712 15.620 -2.155 1.00 0.00 C ATOM 340 C THR A 27 -6.602 15.193 -1.193 1.00 0.00 C ATOM 341 O THR A 27 -5.520 14.798 -1.625 1.00 0.00 O ATOM 342 CB THR A 27 -7.442 15.227 -3.609 1.00 0.00 C ATOM 343 OG1 THR A 27 -6.432 16.139 -4.033 1.00 0.00 O ATOM 344 CG2 THR A 27 -8.627 15.530 -4.528 1.00 0.00 C ATOM 0 H THR A 27 -7.177 17.601 -2.587 1.00 0.00 H new ATOM 0 HA THR A 27 -8.607 15.094 -1.822 1.00 0.00 H new ATOM 0 HB THR A 27 -7.207 14.164 -3.660 1.00 0.00 H new ATOM 0 HG1 THR A 27 -6.199 15.958 -4.967 1.00 0.00 H new ATOM 0 HG21 THR A 27 -8.382 15.232 -5.548 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.502 14.976 -4.188 1.00 0.00 H new ATOM 0 HG23 THR A 27 -8.842 16.598 -4.504 1.00 0.00 H new ATOM 352 N GLY A 28 -6.908 15.286 0.092 1.00 0.00 N ATOM 353 CA GLY A 28 -5.950 14.914 1.119 1.00 0.00 C ATOM 354 C GLY A 28 -4.947 13.888 0.587 1.00 0.00 C ATOM 355 O GLY A 28 -3.853 14.250 0.155 1.00 0.00 O ATOM 0 H GLY A 28 -7.807 15.614 0.446 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.419 15.801 1.465 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.476 14.501 1.980 1.00 0.00 H new ATOM 359 N PHE A 29 -5.356 12.629 0.636 1.00 0.00 N ATOM 360 CA PHE A 29 -4.507 11.548 0.164 1.00 0.00 C ATOM 361 C PHE A 29 -5.131 10.849 -1.046 1.00 0.00 C ATOM 362 O PHE A 29 -4.426 10.228 -1.840 1.00 0.00 O ATOM 363 CB PHE A 29 -4.383 10.543 1.311 1.00 0.00 C ATOM 364 CG PHE A 29 -4.160 11.187 2.681 1.00 0.00 C ATOM 365 CD1 PHE A 29 -3.029 11.904 2.919 1.00 0.00 C ATOM 366 CD2 PHE A 29 -5.093 11.043 3.660 1.00 0.00 C ATOM 367 CE1 PHE A 29 -2.822 12.501 4.191 1.00 0.00 C ATOM 368 CE2 PHE A 29 -4.886 11.641 4.932 1.00 0.00 C ATOM 369 CZ PHE A 29 -3.755 12.357 5.170 1.00 0.00 C ATOM 0 H PHE A 29 -6.264 12.333 0.995 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.537 11.942 -0.138 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.288 9.937 1.349 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.555 9.866 1.100 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -2.289 12.019 2.141 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -5.991 10.474 3.470 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.924 13.069 4.381 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -5.627 11.527 5.710 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.597 12.812 6.137 1.00 0.00 H new ATOM 379 N GLY A 30 -6.446 10.973 -1.147 1.00 0.00 N ATOM 380 CA GLY A 30 -7.173 10.361 -2.247 1.00 0.00 C ATOM 381 C GLY A 30 -6.813 8.880 -2.384 1.00 0.00 C ATOM 382 O GLY A 30 -6.313 8.453 -3.423 1.00 0.00 O ATOM 0 H GLY A 30 -7.027 11.488 -0.486 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.245 10.465 -2.082 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.942 10.883 -3.176 1.00 0.00 H new ATOM 386 N ILE A 31 -7.083 8.137 -1.321 1.00 0.00 N ATOM 387 CA ILE A 31 -6.795 6.713 -1.310 1.00 0.00 C ATOM 388 C ILE A 31 -8.037 5.949 -0.849 1.00 0.00 C ATOM 389 O ILE A 31 -8.796 6.437 -0.013 1.00 0.00 O ATOM 390 CB ILE A 31 -5.549 6.426 -0.470 1.00 0.00 C ATOM 391 CG1 ILE A 31 -4.440 7.437 -0.769 1.00 0.00 C ATOM 392 CG2 ILE A 31 -5.077 4.983 -0.665 1.00 0.00 C ATOM 393 CD1 ILE A 31 -3.223 7.198 0.127 1.00 0.00 C ATOM 0 H ILE A 31 -7.498 8.495 -0.461 1.00 0.00 H new ATOM 0 HA ILE A 31 -6.561 6.363 -2.316 1.00 0.00 H new ATOM 0 HB ILE A 31 -5.813 6.540 0.581 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.146 7.360 -1.816 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.815 8.449 -0.617 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.190 4.805 -0.057 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -5.868 4.297 -0.362 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.836 4.818 -1.715 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.450 7.930 -0.106 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.515 7.299 1.172 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.836 6.194 -0.046 1.00 0.00 H new ATOM 405 N GLN A 32 -8.207 4.763 -1.415 1.00 0.00 N ATOM 406 CA GLN A 32 -9.344 3.926 -1.072 1.00 0.00 C ATOM 407 C GLN A 32 -8.872 2.528 -0.669 1.00 0.00 C ATOM 408 O GLN A 32 -7.975 1.966 -1.296 1.00 0.00 O ATOM 409 CB GLN A 32 -10.341 3.855 -2.230 1.00 0.00 C ATOM 410 CG GLN A 32 -11.452 4.894 -2.061 1.00 0.00 C ATOM 411 CD GLN A 32 -12.692 4.270 -1.416 1.00 0.00 C ATOM 412 OE1 GLN A 32 -12.692 3.880 -0.261 1.00 0.00 O ATOM 413 NE2 GLN A 32 -13.745 4.199 -2.226 1.00 0.00 N ATOM 0 H GLN A 32 -7.576 4.362 -2.109 1.00 0.00 H new ATOM 0 HA GLN A 32 -9.857 4.374 -0.221 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -9.821 4.023 -3.173 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -10.776 2.857 -2.279 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -11.093 5.719 -1.445 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -11.715 5.313 -3.033 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -13.676 4.545 -3.183 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -14.621 3.799 -1.890 1.00 0.00 H new ATOM 422 N LEU A 33 -9.497 2.005 0.376 1.00 0.00 N ATOM 423 CA LEU A 33 -9.152 0.683 0.871 1.00 0.00 C ATOM 424 C LEU A 33 -10.339 -0.259 0.665 1.00 0.00 C ATOM 425 O LEU A 33 -11.477 0.189 0.534 1.00 0.00 O ATOM 426 CB LEU A 33 -8.674 0.762 2.322 1.00 0.00 C ATOM 427 CG LEU A 33 -7.677 1.878 2.640 1.00 0.00 C ATOM 428 CD1 LEU A 33 -7.674 2.200 4.136 1.00 0.00 C ATOM 429 CD2 LEU A 33 -6.279 1.526 2.127 1.00 0.00 C ATOM 0 H LEU A 33 -10.241 2.473 0.894 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.316 0.271 0.306 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.546 0.887 2.965 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.217 -0.192 2.586 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.995 2.780 2.117 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.957 2.996 4.335 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.669 2.523 4.441 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.394 1.310 4.699 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.589 2.336 2.366 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.938 0.606 2.603 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.313 1.385 1.047 1.00 0.00 H new ATOM 441 N GLN A 34 -10.034 -1.548 0.642 1.00 0.00 N ATOM 442 CA GLN A 34 -11.062 -2.558 0.454 1.00 0.00 C ATOM 443 C GLN A 34 -11.337 -3.287 1.770 1.00 0.00 C ATOM 444 O GLN A 34 -10.434 -3.465 2.586 1.00 0.00 O ATOM 445 CB GLN A 34 -10.666 -3.545 -0.647 1.00 0.00 C ATOM 446 CG GLN A 34 -9.246 -4.069 -0.428 1.00 0.00 C ATOM 447 CD GLN A 34 -9.030 -5.392 -1.166 1.00 0.00 C ATOM 448 OE1 GLN A 34 -8.547 -5.437 -2.286 1.00 0.00 O ATOM 449 NE2 GLN A 34 -9.414 -6.464 -0.478 1.00 0.00 N ATOM 0 H GLN A 34 -9.089 -1.917 0.750 1.00 0.00 H new ATOM 0 HA GLN A 34 -11.979 -2.061 0.138 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -11.367 -4.379 -0.662 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -10.731 -3.056 -1.619 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -8.524 -3.331 -0.778 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -9.067 -4.210 0.638 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -9.811 -6.356 0.455 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -9.311 -7.394 -0.884 1.00 0.00 H new ATOM 620 N PRO A 47 -4.873 -4.168 4.127 1.00 0.00 N ATOM 621 CA PRO A 47 -5.820 -3.485 3.263 1.00 0.00 C ATOM 622 C PRO A 47 -5.154 -3.047 1.957 1.00 0.00 C ATOM 623 O PRO A 47 -4.122 -2.378 1.977 1.00 0.00 O ATOM 624 CB PRO A 47 -6.334 -2.317 4.089 1.00 0.00 C ATOM 625 CG PRO A 47 -5.320 -2.117 5.204 1.00 0.00 C ATOM 626 CD PRO A 47 -4.429 -3.347 5.249 1.00 0.00 C ATOM 0 HA PRO A 47 -6.643 -4.127 2.950 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -6.426 -1.418 3.479 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -7.323 -2.530 4.494 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -4.726 -1.221 5.023 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -5.826 -1.977 6.159 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.377 -3.078 5.151 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -4.535 -3.878 6.195 1.00 0.00 H new ATOM 634 N LEU A 48 -5.772 -3.442 0.854 1.00 0.00 N ATOM 635 CA LEU A 48 -5.252 -3.099 -0.459 1.00 0.00 C ATOM 636 C LEU A 48 -5.917 -1.809 -0.945 1.00 0.00 C ATOM 637 O LEU A 48 -7.074 -1.543 -0.622 1.00 0.00 O ATOM 638 CB LEU A 48 -5.413 -4.275 -1.424 1.00 0.00 C ATOM 639 CG LEU A 48 -5.168 -5.665 -0.833 1.00 0.00 C ATOM 640 CD1 LEU A 48 -5.913 -6.738 -1.629 1.00 0.00 C ATOM 641 CD2 LEU A 48 -3.671 -5.963 -0.731 1.00 0.00 C ATOM 0 H LEU A 48 -6.628 -3.996 0.842 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.181 -2.906 -0.405 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.423 -4.248 -1.833 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.727 -4.131 -2.259 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.568 -5.680 0.181 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.722 -7.716 -1.188 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.983 -6.532 -1.605 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.566 -6.732 -2.662 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.526 -6.957 -0.308 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.223 -5.922 -1.724 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.195 -5.222 -0.088 1.00 0.00 H new ATOM 653 N ILE A 49 -5.157 -1.043 -1.714 1.00 0.00 N ATOM 654 CA ILE A 49 -5.658 0.212 -2.248 1.00 0.00 C ATOM 655 C ILE A 49 -6.729 -0.078 -3.301 1.00 0.00 C ATOM 656 O ILE A 49 -6.409 -0.381 -4.450 1.00 0.00 O ATOM 657 CB ILE A 49 -4.505 1.073 -2.765 1.00 0.00 C ATOM 658 CG1 ILE A 49 -3.726 1.700 -1.606 1.00 0.00 C ATOM 659 CG2 ILE A 49 -5.007 2.127 -3.754 1.00 0.00 C ATOM 660 CD1 ILE A 49 -2.431 2.346 -2.102 1.00 0.00 C ATOM 0 H ILE A 49 -4.198 -1.267 -1.980 1.00 0.00 H new ATOM 0 HA ILE A 49 -6.134 0.797 -1.461 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.814 0.427 -3.306 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.344 2.449 -1.111 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.495 0.936 -0.863 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -4.167 2.725 -4.106 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.481 1.633 -4.602 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.731 2.774 -3.259 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.897 2.784 -1.259 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.805 1.589 -2.575 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.667 3.126 -2.826 1.00 0.00 H new ATOM 672 N SER A 50 -7.979 0.024 -2.873 1.00 0.00 N ATOM 673 CA SER A 50 -9.099 -0.224 -3.765 1.00 0.00 C ATOM 674 C SER A 50 -9.029 0.720 -4.967 1.00 0.00 C ATOM 675 O SER A 50 -9.025 0.273 -6.112 1.00 0.00 O ATOM 676 CB SER A 50 -10.432 -0.056 -3.034 1.00 0.00 C ATOM 677 OG SER A 50 -11.540 -0.093 -3.930 1.00 0.00 O ATOM 0 H SER A 50 -8.241 0.275 -1.920 1.00 0.00 H new ATOM 0 HA SER A 50 -9.036 -1.254 -4.116 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.540 -0.846 -2.291 1.00 0.00 H new ATOM 0 HB3 SER A 50 -10.433 0.891 -2.495 1.00 0.00 H new ATOM 0 HG SER A 50 -12.373 0.016 -3.425 1.00 0.00 H new ATOM 683 N TYR A 51 -8.977 2.009 -4.664 1.00 0.00 N ATOM 684 CA TYR A 51 -8.908 3.020 -5.705 1.00 0.00 C ATOM 685 C TYR A 51 -8.015 4.187 -5.278 1.00 0.00 C ATOM 686 O TYR A 51 -7.843 4.438 -4.086 1.00 0.00 O ATOM 687 CB TYR A 51 -10.338 3.529 -5.893 1.00 0.00 C ATOM 688 CG TYR A 51 -10.475 4.619 -6.959 1.00 0.00 C ATOM 689 CD1 TYR A 51 -10.388 4.290 -8.297 1.00 0.00 C ATOM 690 CD2 TYR A 51 -10.686 5.930 -6.583 1.00 0.00 C ATOM 691 CE1 TYR A 51 -10.517 5.316 -9.300 1.00 0.00 C ATOM 692 CE2 TYR A 51 -10.815 6.955 -7.585 1.00 0.00 C ATOM 693 CZ TYR A 51 -10.724 6.597 -8.894 1.00 0.00 C ATOM 694 OH TYR A 51 -10.846 7.566 -9.842 1.00 0.00 O ATOM 0 H TYR A 51 -8.981 2.376 -3.712 1.00 0.00 H new ATOM 0 HA TYR A 51 -8.490 2.601 -6.620 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -10.979 2.690 -6.162 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -10.703 3.917 -4.942 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -10.223 3.264 -8.592 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -10.754 6.187 -5.536 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -10.451 5.073 -10.350 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -10.980 7.985 -7.304 1.00 0.00 H new ATOM 0 HH TYR A 51 -10.992 8.432 -9.407 1.00 0.00 H new ATOM 704 N ILE A 52 -7.471 4.869 -6.275 1.00 0.00 N ATOM 705 CA ILE A 52 -6.600 6.004 -6.017 1.00 0.00 C ATOM 706 C ILE A 52 -7.203 7.258 -6.652 1.00 0.00 C ATOM 707 O ILE A 52 -7.196 7.405 -7.873 1.00 0.00 O ATOM 708 CB ILE A 52 -5.175 5.703 -6.484 1.00 0.00 C ATOM 709 CG1 ILE A 52 -4.650 4.415 -5.847 1.00 0.00 C ATOM 710 CG2 ILE A 52 -4.249 6.892 -6.221 1.00 0.00 C ATOM 711 CD1 ILE A 52 -3.514 3.814 -6.678 1.00 0.00 C ATOM 0 H ILE A 52 -7.616 4.658 -7.262 1.00 0.00 H new ATOM 0 HA ILE A 52 -6.526 6.192 -4.946 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.195 5.544 -7.562 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.296 4.623 -4.837 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.461 3.693 -5.758 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.242 6.651 -6.562 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.616 7.765 -6.760 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.228 7.108 -5.153 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.160 2.900 -6.202 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.878 3.585 -7.680 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.694 4.529 -6.745 1.00 0.00 H new ATOM 723 N GLU A 53 -7.711 8.132 -5.795 1.00 0.00 N ATOM 724 CA GLU A 53 -8.317 9.369 -6.256 1.00 0.00 C ATOM 725 C GLU A 53 -7.377 10.091 -7.225 1.00 0.00 C ATOM 726 O GLU A 53 -6.159 9.943 -7.140 1.00 0.00 O ATOM 727 CB GLU A 53 -8.688 10.271 -5.078 1.00 0.00 C ATOM 728 CG GLU A 53 -10.129 10.770 -5.202 1.00 0.00 C ATOM 729 CD GLU A 53 -10.223 12.262 -4.875 1.00 0.00 C ATOM 730 OE1 GLU A 53 -9.660 12.650 -3.828 1.00 0.00 O ATOM 731 OE2 GLU A 53 -10.855 12.980 -5.679 1.00 0.00 O ATOM 0 H GLU A 53 -7.715 8.007 -4.783 1.00 0.00 H new ATOM 0 HA GLU A 53 -9.237 9.124 -6.787 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -8.568 9.723 -4.144 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -8.007 11.121 -5.038 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -10.493 10.592 -6.214 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -10.773 10.205 -4.528 1.00 0.00 H new ATOM 738 N ALA A 54 -7.979 10.856 -8.123 1.00 0.00 N ATOM 739 CA ALA A 54 -7.212 11.601 -9.107 1.00 0.00 C ATOM 740 C ALA A 54 -6.873 12.982 -8.542 1.00 0.00 C ATOM 741 O ALA A 54 -7.467 13.418 -7.557 1.00 0.00 O ATOM 742 CB ALA A 54 -8.001 11.683 -10.415 1.00 0.00 C ATOM 0 H ALA A 54 -8.990 10.976 -8.190 1.00 0.00 H new ATOM 0 HA ALA A 54 -6.272 11.094 -9.326 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.425 12.242 -11.153 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -8.191 10.677 -10.789 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -8.950 12.189 -10.236 1.00 0.00 H new ATOM 748 N ASP A 55 -5.918 13.633 -9.191 1.00 0.00 N ATOM 749 CA ASP A 55 -5.492 14.955 -8.766 1.00 0.00 C ATOM 750 C ASP A 55 -5.114 14.913 -7.284 1.00 0.00 C ATOM 751 O ASP A 55 -5.094 15.945 -6.615 1.00 0.00 O ATOM 752 CB ASP A 55 -6.617 15.978 -8.938 1.00 0.00 C ATOM 753 CG ASP A 55 -6.161 17.437 -8.999 1.00 0.00 C ATOM 754 OD1 ASP A 55 -5.499 17.783 -10.000 1.00 0.00 O ATOM 755 OD2 ASP A 55 -6.486 18.173 -8.042 1.00 0.00 O ATOM 0 H ASP A 55 -5.428 13.269 -10.008 1.00 0.00 H new ATOM 0 HA ASP A 55 -4.641 15.248 -9.380 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -7.163 15.745 -9.852 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.318 15.867 -8.111 1.00 0.00 H new ATOM 760 N SER A 56 -4.823 13.709 -6.815 1.00 0.00 N ATOM 761 CA SER A 56 -4.446 13.519 -5.424 1.00 0.00 C ATOM 762 C SER A 56 -2.937 13.292 -5.317 1.00 0.00 C ATOM 763 O SER A 56 -2.272 13.035 -6.319 1.00 0.00 O ATOM 764 CB SER A 56 -5.205 12.344 -4.804 1.00 0.00 C ATOM 765 OG SER A 56 -4.443 11.140 -4.835 1.00 0.00 O ATOM 0 H SER A 56 -4.840 12.855 -7.373 1.00 0.00 H new ATOM 0 HA SER A 56 -4.711 14.420 -4.871 1.00 0.00 H new ATOM 0 HB2 SER A 56 -5.463 12.583 -3.772 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.142 12.194 -5.341 1.00 0.00 H new ATOM 0 HG SER A 56 -4.802 10.544 -5.525 1.00 0.00 H new ATOM 771 N PRO A 57 -2.427 13.397 -4.061 1.00 0.00 N ATOM 772 CA PRO A 57 -1.009 13.206 -3.810 1.00 0.00 C ATOM 773 C PRO A 57 -0.636 11.724 -3.874 1.00 0.00 C ATOM 774 O PRO A 57 0.522 11.381 -4.111 1.00 0.00 O ATOM 775 CB PRO A 57 -0.765 13.822 -2.441 1.00 0.00 C ATOM 776 CG PRO A 57 -2.130 13.917 -1.778 1.00 0.00 C ATOM 777 CD PRO A 57 -3.185 13.700 -2.850 1.00 0.00 C ATOM 0 HA PRO A 57 -0.381 13.681 -4.563 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.086 13.206 -1.851 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.305 14.806 -2.532 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.225 13.168 -0.992 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.259 14.892 -1.307 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -3.854 12.881 -2.587 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -3.804 14.588 -2.982 1.00 0.00 H new ATOM 785 N ALA A 58 -1.638 10.884 -3.657 1.00 0.00 N ATOM 786 CA ALA A 58 -1.429 9.447 -3.688 1.00 0.00 C ATOM 787 C ALA A 58 -1.180 9.002 -5.130 1.00 0.00 C ATOM 788 O ALA A 58 -0.546 7.974 -5.366 1.00 0.00 O ATOM 789 CB ALA A 58 -2.634 8.743 -3.060 1.00 0.00 C ATOM 0 H ALA A 58 -2.596 11.172 -3.459 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.550 9.174 -3.104 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.478 7.664 -3.083 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -2.749 9.071 -2.027 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.534 8.991 -3.622 1.00 0.00 H new ATOM 795 N GLU A 59 -1.692 9.798 -6.058 1.00 0.00 N ATOM 796 CA GLU A 59 -1.532 9.499 -7.471 1.00 0.00 C ATOM 797 C GLU A 59 -0.351 10.281 -8.049 1.00 0.00 C ATOM 798 O GLU A 59 0.361 9.783 -8.920 1.00 0.00 O ATOM 799 CB GLU A 59 -2.819 9.800 -8.243 1.00 0.00 C ATOM 800 CG GLU A 59 -2.770 9.194 -9.647 1.00 0.00 C ATOM 801 CD GLU A 59 -2.884 7.669 -9.590 1.00 0.00 C ATOM 802 OE1 GLU A 59 -4.035 7.188 -9.515 1.00 0.00 O ATOM 803 OE2 GLU A 59 -1.817 7.018 -9.624 1.00 0.00 O ATOM 0 H GLU A 59 -2.218 10.649 -5.859 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.323 8.434 -7.576 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.675 9.400 -7.700 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.962 10.878 -8.313 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -3.581 9.601 -10.251 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.837 9.475 -10.136 1.00 0.00 H new ATOM 810 N ARG A 60 -0.178 11.492 -7.541 1.00 0.00 N ATOM 811 CA ARG A 60 0.905 12.347 -7.995 1.00 0.00 C ATOM 812 C ARG A 60 2.235 11.593 -7.940 1.00 0.00 C ATOM 813 O ARG A 60 3.034 11.667 -8.872 1.00 0.00 O ATOM 814 CB ARG A 60 1.006 13.610 -7.139 1.00 0.00 C ATOM 815 CG ARG A 60 0.075 14.705 -7.663 1.00 0.00 C ATOM 816 CD ARG A 60 0.757 16.074 -7.618 1.00 0.00 C ATOM 817 NE ARG A 60 -0.257 17.148 -7.706 1.00 0.00 N ATOM 818 CZ ARG A 60 -0.881 17.501 -8.838 1.00 0.00 C ATOM 819 NH1 ARG A 60 -0.599 16.867 -9.985 1.00 0.00 N ATOM 820 NH2 ARG A 60 -1.788 18.487 -8.824 1.00 0.00 N ATOM 0 H ARG A 60 -0.770 11.902 -6.819 1.00 0.00 H new ATOM 0 HA ARG A 60 0.690 12.636 -9.024 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.750 13.374 -6.106 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.034 13.972 -7.139 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.221 14.476 -8.687 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.836 14.729 -7.065 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.327 16.175 -6.694 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.466 16.164 -8.441 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.496 17.651 -6.851 1.00 0.00 H new ATOM 0 HH11 ARG A 60 0.091 16.116 -9.996 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -1.074 17.136 -10.847 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -2.004 18.969 -7.951 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -2.263 18.755 -9.686 1.00 0.00 H new ATOM 834 N CYS A 61 2.433 10.886 -6.837 1.00 0.00 N ATOM 835 CA CYS A 61 3.652 10.119 -6.647 1.00 0.00 C ATOM 836 C CYS A 61 3.739 9.072 -7.759 1.00 0.00 C ATOM 837 O CYS A 61 4.810 8.840 -8.317 1.00 0.00 O ATOM 838 CB CYS A 61 3.710 9.483 -5.257 1.00 0.00 C ATOM 839 SG CYS A 61 3.628 10.782 -3.970 1.00 0.00 S ATOM 0 H CYS A 61 1.769 10.828 -6.065 1.00 0.00 H new ATOM 0 HA CYS A 61 4.515 10.782 -6.706 1.00 0.00 H new ATOM 0 HB2 CYS A 61 2.883 8.784 -5.133 1.00 0.00 H new ATOM 0 HB3 CYS A 61 4.631 8.910 -5.149 1.00 0.00 H new ATOM 0 HG CYS A 61 2.402 11.197 -3.850 1.00 0.00 H new ATOM 845 N GLY A 62 2.597 8.465 -8.047 1.00 0.00 N ATOM 846 CA GLY A 62 2.530 7.447 -9.082 1.00 0.00 C ATOM 847 C GLY A 62 3.313 6.198 -8.673 1.00 0.00 C ATOM 848 O GLY A 62 3.730 5.416 -9.526 1.00 0.00 O ATOM 0 H GLY A 62 1.710 8.659 -7.581 1.00 0.00 H new ATOM 0 HA2 GLY A 62 1.489 7.183 -9.271 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.932 7.844 -10.014 1.00 0.00 H new ATOM 852 N VAL A 63 3.489 6.049 -7.368 1.00 0.00 N ATOM 853 CA VAL A 63 4.214 4.908 -6.836 1.00 0.00 C ATOM 854 C VAL A 63 3.219 3.903 -6.253 1.00 0.00 C ATOM 855 O VAL A 63 3.553 2.737 -6.055 1.00 0.00 O ATOM 856 CB VAL A 63 5.255 5.379 -5.818 1.00 0.00 C ATOM 857 CG1 VAL A 63 6.105 6.516 -6.388 1.00 0.00 C ATOM 858 CG2 VAL A 63 4.588 5.797 -4.506 1.00 0.00 C ATOM 0 H VAL A 63 3.142 6.700 -6.664 1.00 0.00 H new ATOM 0 HA VAL A 63 4.761 4.399 -7.629 1.00 0.00 H new ATOM 0 HB VAL A 63 5.918 4.541 -5.605 1.00 0.00 H new ATOM 0 HG11 VAL A 63 6.836 6.832 -5.644 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.623 6.170 -7.282 1.00 0.00 H new ATOM 0 HG13 VAL A 63 5.462 7.358 -6.644 1.00 0.00 H new ATOM 0 HG21 VAL A 63 5.350 6.127 -3.800 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.891 6.613 -4.696 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.048 4.949 -4.086 1.00 0.00 H new ATOM 868 N LEU A 64 2.015 4.393 -5.995 1.00 0.00 N ATOM 869 CA LEU A 64 0.969 3.552 -5.438 1.00 0.00 C ATOM 870 C LEU A 64 0.137 2.959 -6.577 1.00 0.00 C ATOM 871 O LEU A 64 -0.392 3.692 -7.412 1.00 0.00 O ATOM 872 CB LEU A 64 0.141 4.333 -4.415 1.00 0.00 C ATOM 873 CG LEU A 64 0.927 4.996 -3.282 1.00 0.00 C ATOM 874 CD1 LEU A 64 0.211 6.251 -2.779 1.00 0.00 C ATOM 875 CD2 LEU A 64 1.204 4.002 -2.152 1.00 0.00 C ATOM 0 H LEU A 64 1.741 5.361 -6.161 1.00 0.00 H new ATOM 0 HA LEU A 64 1.404 2.716 -4.891 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.418 5.105 -4.943 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.590 3.655 -3.975 1.00 0.00 H new ATOM 0 HG LEU A 64 1.893 5.313 -3.676 1.00 0.00 H new ATOM 0 HD11 LEU A 64 0.791 6.703 -1.974 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.109 6.964 -3.597 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.778 5.982 -2.407 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.764 4.499 -1.360 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.259 3.633 -1.752 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.786 3.165 -2.538 1.00 0.00 H new ATOM 887 N GLN A 65 0.048 1.637 -6.576 1.00 0.00 N ATOM 888 CA GLN A 65 -0.710 0.937 -7.599 1.00 0.00 C ATOM 889 C GLN A 65 -2.011 0.386 -7.012 1.00 0.00 C ATOM 890 O GLN A 65 -2.067 0.041 -5.832 1.00 0.00 O ATOM 891 CB GLN A 65 0.123 -0.180 -8.231 1.00 0.00 C ATOM 892 CG GLN A 65 1.276 0.396 -9.055 1.00 0.00 C ATOM 893 CD GLN A 65 2.610 -0.230 -8.643 1.00 0.00 C ATOM 894 OE1 GLN A 65 2.971 -0.275 -7.479 1.00 0.00 O ATOM 895 NE2 GLN A 65 3.320 -0.709 -9.661 1.00 0.00 N ATOM 0 H GLN A 65 0.488 1.032 -5.883 1.00 0.00 H new ATOM 0 HA GLN A 65 -0.962 1.647 -8.387 1.00 0.00 H new ATOM 0 HB2 GLN A 65 0.518 -0.830 -7.450 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -0.512 -0.796 -8.868 1.00 0.00 H new ATOM 0 HG2 GLN A 65 1.097 0.214 -10.115 1.00 0.00 H new ATOM 0 HG3 GLN A 65 1.320 1.477 -8.920 1.00 0.00 H new ATOM 0 HE21 GLN A 65 2.959 -0.639 -10.612 1.00 0.00 H new ATOM 0 HE22 GLN A 65 4.225 -1.146 -9.490 1.00 0.00 H new ATOM 904 N ILE A 66 -3.025 0.319 -7.862 1.00 0.00 N ATOM 905 CA ILE A 66 -4.322 -0.184 -7.442 1.00 0.00 C ATOM 906 C ILE A 66 -4.172 -1.630 -6.964 1.00 0.00 C ATOM 907 O ILE A 66 -3.795 -2.508 -7.739 1.00 0.00 O ATOM 908 CB ILE A 66 -5.352 -0.009 -8.559 1.00 0.00 C ATOM 909 CG1 ILE A 66 -5.562 1.471 -8.884 1.00 0.00 C ATOM 910 CG2 ILE A 66 -6.666 -0.711 -8.209 1.00 0.00 C ATOM 911 CD1 ILE A 66 -6.689 2.064 -8.036 1.00 0.00 C ATOM 0 H ILE A 66 -2.975 0.605 -8.840 1.00 0.00 H new ATOM 0 HA ILE A 66 -4.700 0.394 -6.599 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.963 -0.485 -9.459 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.638 2.021 -8.704 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.800 1.585 -9.942 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.381 -0.571 -9.020 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.483 -1.776 -8.067 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -7.072 -0.287 -7.291 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -6.818 3.117 -8.287 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -7.616 1.527 -8.237 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -6.437 1.971 -6.980 1.00 0.00 H new ATOM 923 N GLY A 67 -4.476 -1.834 -5.691 1.00 0.00 N ATOM 924 CA GLY A 67 -4.380 -3.158 -5.101 1.00 0.00 C ATOM 925 C GLY A 67 -3.016 -3.366 -4.439 1.00 0.00 C ATOM 926 O GLY A 67 -2.497 -4.481 -4.415 1.00 0.00 O ATOM 0 H GLY A 67 -4.789 -1.104 -5.051 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.171 -3.289 -4.362 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.534 -3.915 -5.870 1.00 0.00 H new ATOM 930 N ASP A 68 -2.474 -2.275 -3.919 1.00 0.00 N ATOM 931 CA ASP A 68 -1.180 -2.324 -3.258 1.00 0.00 C ATOM 932 C ASP A 68 -1.278 -3.216 -2.019 1.00 0.00 C ATOM 933 O ASP A 68 -2.327 -3.800 -1.752 1.00 0.00 O ATOM 934 CB ASP A 68 -0.741 -0.930 -2.805 1.00 0.00 C ATOM 935 CG ASP A 68 -0.200 -0.029 -3.916 1.00 0.00 C ATOM 936 OD1 ASP A 68 0.107 -0.581 -4.995 1.00 0.00 O ATOM 937 OD2 ASP A 68 -0.105 1.191 -3.662 1.00 0.00 O ATOM 0 H ASP A 68 -2.907 -1.352 -3.942 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.453 -2.718 -3.968 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.590 -0.433 -2.336 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.027 -1.039 -2.040 1.00 0.00 H new ATOM 942 N ARG A 69 -0.171 -3.292 -1.295 1.00 0.00 N ATOM 943 CA ARG A 69 -0.119 -4.103 -0.091 1.00 0.00 C ATOM 944 C ARG A 69 0.410 -3.276 1.083 1.00 0.00 C ATOM 945 O ARG A 69 1.585 -3.371 1.433 1.00 0.00 O ATOM 946 CB ARG A 69 0.777 -5.327 -0.289 1.00 0.00 C ATOM 947 CG ARG A 69 1.947 -5.005 -1.220 1.00 0.00 C ATOM 948 CD ARG A 69 1.501 -5.014 -2.684 1.00 0.00 C ATOM 949 NE ARG A 69 2.598 -5.512 -3.544 1.00 0.00 N ATOM 950 CZ ARG A 69 3.582 -4.742 -4.027 1.00 0.00 C ATOM 951 NH1 ARG A 69 3.613 -3.434 -3.739 1.00 0.00 N ATOM 952 NH2 ARG A 69 4.536 -5.280 -4.800 1.00 0.00 N ATOM 0 H ARG A 69 0.697 -2.805 -1.519 1.00 0.00 H new ATOM 0 HA ARG A 69 -1.132 -4.441 0.125 1.00 0.00 H new ATOM 0 HB2 ARG A 69 1.157 -5.664 0.675 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.192 -6.147 -0.705 1.00 0.00 H new ATOM 0 HG2 ARG A 69 2.359 -4.028 -0.968 1.00 0.00 H new ATOM 0 HG3 ARG A 69 2.744 -5.734 -1.074 1.00 0.00 H new ATOM 0 HD2 ARG A 69 0.621 -5.646 -2.801 1.00 0.00 H new ATOM 0 HD3 ARG A 69 1.214 -4.008 -2.992 1.00 0.00 H new ATOM 0 HE ARG A 69 2.605 -6.503 -3.784 1.00 0.00 H new ATOM 0 HH11 ARG A 69 2.887 -3.024 -3.152 1.00 0.00 H new ATOM 0 HH12 ARG A 69 4.363 -2.848 -4.107 1.00 0.00 H new ATOM 0 HH21 ARG A 69 4.513 -6.276 -5.020 1.00 0.00 H new ATOM 0 HH22 ARG A 69 5.285 -4.694 -5.168 1.00 0.00 H new ATOM 966 N VAL A 70 -0.483 -2.485 1.658 1.00 0.00 N ATOM 967 CA VAL A 70 -0.121 -1.642 2.785 1.00 0.00 C ATOM 968 C VAL A 70 0.189 -2.523 3.997 1.00 0.00 C ATOM 969 O VAL A 70 -0.692 -3.213 4.508 1.00 0.00 O ATOM 970 CB VAL A 70 -1.230 -0.623 3.055 1.00 0.00 C ATOM 971 CG1 VAL A 70 -2.449 -1.295 3.690 1.00 0.00 C ATOM 972 CG2 VAL A 70 -0.719 0.525 3.928 1.00 0.00 C ATOM 0 H VAL A 70 -1.457 -2.410 1.365 1.00 0.00 H new ATOM 0 HA VAL A 70 0.779 -1.070 2.560 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.540 -0.203 2.098 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.222 -0.549 3.872 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.834 -2.061 3.017 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.160 -1.755 4.635 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.527 1.235 4.105 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.369 0.129 4.881 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.103 1.030 3.421 1.00 0.00 H new ATOM 982 N MET A 71 1.443 -2.472 4.421 1.00 0.00 N ATOM 983 CA MET A 71 1.879 -3.258 5.563 1.00 0.00 C ATOM 984 C MET A 71 1.691 -2.481 6.867 1.00 0.00 C ATOM 985 O MET A 71 1.658 -3.070 7.946 1.00 0.00 O ATOM 986 CB MET A 71 3.355 -3.625 5.396 1.00 0.00 C ATOM 987 CG MET A 71 3.651 -4.071 3.962 1.00 0.00 C ATOM 988 SD MET A 71 2.932 -5.677 3.662 1.00 0.00 S ATOM 989 CE MET A 71 3.691 -6.607 4.983 1.00 0.00 C ATOM 0 H MET A 71 2.171 -1.899 3.995 1.00 0.00 H new ATOM 0 HA MET A 71 1.273 -4.163 5.610 1.00 0.00 H new ATOM 0 HB2 MET A 71 3.978 -2.767 5.650 1.00 0.00 H new ATOM 0 HB3 MET A 71 3.615 -4.424 6.090 1.00 0.00 H new ATOM 0 HG2 MET A 71 3.248 -3.345 3.256 1.00 0.00 H new ATOM 0 HG3 MET A 71 4.728 -4.109 3.799 1.00 0.00 H new ATOM 0 HE1 MET A 71 3.792 -7.650 4.682 1.00 0.00 H new ATOM 0 HE2 MET A 71 4.676 -6.194 5.199 1.00 0.00 H new ATOM 0 HE3 MET A 71 3.068 -6.546 5.876 1.00 0.00 H new ATOM 999 N ALA A 72 1.573 -1.169 6.725 1.00 0.00 N ATOM 1000 CA ALA A 72 1.388 -0.304 7.878 1.00 0.00 C ATOM 1001 C ALA A 72 0.915 1.072 7.408 1.00 0.00 C ATOM 1002 O ALA A 72 1.022 1.400 6.228 1.00 0.00 O ATOM 1003 CB ALA A 72 2.692 -0.232 8.675 1.00 0.00 C ATOM 0 H ALA A 72 1.602 -0.684 5.828 1.00 0.00 H new ATOM 0 HA ALA A 72 0.622 -0.706 8.541 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.554 0.417 9.540 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.969 -1.231 9.011 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.483 0.170 8.042 1.00 0.00 H new ATOM 1009 N ILE A 73 0.400 1.841 8.357 1.00 0.00 N ATOM 1010 CA ILE A 73 -0.090 3.175 8.055 1.00 0.00 C ATOM 1011 C ILE A 73 0.367 4.142 9.149 1.00 0.00 C ATOM 1012 O ILE A 73 -0.161 4.123 10.259 1.00 0.00 O ATOM 1013 CB ILE A 73 -1.606 3.154 7.846 1.00 0.00 C ATOM 1014 CG1 ILE A 73 -1.982 2.287 6.643 1.00 0.00 C ATOM 1015 CG2 ILE A 73 -2.163 4.574 7.726 1.00 0.00 C ATOM 1016 CD1 ILE A 73 -3.471 2.419 6.316 1.00 0.00 C ATOM 0 H ILE A 73 0.312 1.565 9.335 1.00 0.00 H new ATOM 0 HA ILE A 73 0.333 3.533 7.116 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.065 2.701 8.725 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.388 2.582 5.778 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.743 1.244 6.853 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.242 4.530 7.578 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.944 5.129 8.638 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.700 5.076 6.876 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -3.712 1.793 5.457 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.062 2.100 7.175 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -3.702 3.459 6.083 1.00 0.00 H new ATOM 1028 N ASN A 74 1.344 4.965 8.796 1.00 0.00 N ATOM 1029 CA ASN A 74 1.878 5.938 9.734 1.00 0.00 C ATOM 1030 C ASN A 74 2.756 5.220 10.761 1.00 0.00 C ATOM 1031 O ASN A 74 3.231 5.835 11.715 1.00 0.00 O ATOM 1032 CB ASN A 74 0.754 6.650 10.489 1.00 0.00 C ATOM 1033 CG ASN A 74 0.864 8.168 10.332 1.00 0.00 C ATOM 1034 OD1 ASN A 74 -0.248 8.748 9.891 1.00 0.00 O flip ATOM 1035 ND2 ASN A 74 1.891 8.772 10.594 1.00 0.00 N flip ATOM 0 H ASN A 74 1.779 4.978 7.874 1.00 0.00 H new ATOM 0 HA ASN A 74 2.453 6.671 9.169 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -0.212 6.311 10.115 1.00 0.00 H new ATOM 0 HB3 ASN A 74 0.797 6.386 11.546 1.00 0.00 H new ATOM 0 HD21 ASN A 74 2.710 8.264 10.929 1.00 0.00 H new ATOM 0 HD22 ASN A 74 1.931 9.785 10.478 1.00 0.00 H new ATOM 1042 N GLY A 75 2.945 3.929 10.532 1.00 0.00 N ATOM 1043 CA GLY A 75 3.758 3.121 11.425 1.00 0.00 C ATOM 1044 C GLY A 75 2.923 2.018 12.079 1.00 0.00 C ATOM 1045 O GLY A 75 3.468 1.028 12.565 1.00 0.00 O ATOM 0 H GLY A 75 2.549 3.422 9.740 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.583 2.676 10.869 1.00 0.00 H new ATOM 0 HA3 GLY A 75 4.198 3.754 12.195 1.00 0.00 H new ATOM 1049 N ILE A 76 1.615 2.227 12.070 1.00 0.00 N ATOM 1050 CA ILE A 76 0.700 1.262 12.657 1.00 0.00 C ATOM 1051 C ILE A 76 0.694 -0.010 11.808 1.00 0.00 C ATOM 1052 O ILE A 76 0.588 0.056 10.584 1.00 0.00 O ATOM 1053 CB ILE A 76 -0.686 1.884 12.843 1.00 0.00 C ATOM 1054 CG1 ILE A 76 -0.669 2.940 13.950 1.00 0.00 C ATOM 1055 CG2 ILE A 76 -1.741 0.805 13.096 1.00 0.00 C ATOM 1056 CD1 ILE A 76 0.241 4.112 13.576 1.00 0.00 C ATOM 0 H ILE A 76 1.167 3.049 11.666 1.00 0.00 H new ATOM 0 HA ILE A 76 1.034 0.978 13.655 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.960 2.392 11.918 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.681 3.303 14.127 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.325 2.490 14.881 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.717 1.273 13.225 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -1.775 0.123 12.246 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -1.484 0.249 13.997 1.00 0.00 H new ATOM 0 HD11 ILE A 76 0.235 4.848 14.380 1.00 0.00 H new ATOM 0 HD12 ILE A 76 1.258 3.749 13.424 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.120 4.575 12.658 1.00 0.00 H new ATOM 1068 N PRO A 77 0.812 -1.169 12.509 1.00 0.00 N ATOM 1069 CA PRO A 77 0.821 -2.456 11.833 1.00 0.00 C ATOM 1070 C PRO A 77 -0.584 -2.840 11.367 1.00 0.00 C ATOM 1071 O PRO A 77 -1.457 -3.128 12.185 1.00 0.00 O ATOM 1072 CB PRO A 77 1.398 -3.429 12.847 1.00 0.00 C ATOM 1073 CG PRO A 77 1.257 -2.753 14.201 1.00 0.00 C ATOM 1074 CD PRO A 77 0.939 -1.286 13.959 1.00 0.00 C ATOM 0 HA PRO A 77 1.420 -2.449 10.923 1.00 0.00 H new ATOM 0 HB2 PRO A 77 0.862 -4.378 12.827 1.00 0.00 H new ATOM 0 HB3 PRO A 77 2.443 -3.648 12.627 1.00 0.00 H new ATOM 0 HG2 PRO A 77 0.465 -3.224 14.782 1.00 0.00 H new ATOM 0 HG3 PRO A 77 2.178 -2.854 14.776 1.00 0.00 H new ATOM 0 HD2 PRO A 77 0.018 -0.992 14.462 1.00 0.00 H new ATOM 0 HD3 PRO A 77 1.730 -0.641 14.341 1.00 0.00 H new ATOM 1082 N THR A 78 -0.761 -2.833 10.053 1.00 0.00 N ATOM 1083 CA THR A 78 -2.045 -3.177 9.469 1.00 0.00 C ATOM 1084 C THR A 78 -2.134 -4.685 9.226 1.00 0.00 C ATOM 1085 O THR A 78 -1.871 -5.157 8.121 1.00 0.00 O ATOM 1086 CB THR A 78 -2.224 -2.346 8.197 1.00 0.00 C ATOM 1087 OG1 THR A 78 -0.924 -2.320 7.614 1.00 0.00 O ATOM 1088 CG2 THR A 78 -2.528 -0.877 8.495 1.00 0.00 C ATOM 0 H THR A 78 -0.035 -2.594 9.377 1.00 0.00 H new ATOM 0 HA THR A 78 -2.864 -2.940 10.148 1.00 0.00 H new ATOM 0 HB THR A 78 -3.030 -2.769 7.598 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.974 -2.640 6.689 1.00 0.00 H new ATOM 0 HG21 THR A 78 -2.646 -0.333 7.558 1.00 0.00 H new ATOM 0 HG22 THR A 78 -3.449 -0.806 9.074 1.00 0.00 H new ATOM 0 HG23 THR A 78 -1.706 -0.444 9.066 1.00 0.00 H new ATOM 1096 N GLU A 79 -2.505 -5.401 10.278 1.00 0.00 N ATOM 1097 CA GLU A 79 -2.632 -6.846 10.194 1.00 0.00 C ATOM 1098 C GLU A 79 -3.523 -7.367 11.323 1.00 0.00 C ATOM 1099 O GLU A 79 -3.392 -8.516 11.741 1.00 0.00 O ATOM 1100 CB GLU A 79 -1.258 -7.519 10.224 1.00 0.00 C ATOM 1101 CG GLU A 79 -1.297 -8.875 9.517 1.00 0.00 C ATOM 1102 CD GLU A 79 -0.049 -9.699 9.842 1.00 0.00 C ATOM 1103 OE1 GLU A 79 1.047 -9.251 9.440 1.00 0.00 O ATOM 1104 OE2 GLU A 79 -0.219 -10.757 10.485 1.00 0.00 O ATOM 0 H GLU A 79 -2.722 -5.007 11.193 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.102 -7.096 9.243 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -0.523 -6.875 9.742 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.937 -7.652 11.257 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -2.189 -9.423 9.822 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -1.368 -8.726 8.440 1.00 0.00 H new ATOM 1111 N ASP A 80 -4.410 -6.498 11.783 1.00 0.00 N ATOM 1112 CA ASP A 80 -5.323 -6.856 12.855 1.00 0.00 C ATOM 1113 C ASP A 80 -6.097 -5.613 13.297 1.00 0.00 C ATOM 1114 O ASP A 80 -5.622 -4.845 14.132 1.00 0.00 O ATOM 1115 CB ASP A 80 -4.563 -7.396 14.068 1.00 0.00 C ATOM 1116 CG ASP A 80 -5.164 -8.651 14.702 1.00 0.00 C ATOM 1117 OD1 ASP A 80 -5.227 -9.674 13.986 1.00 0.00 O ATOM 1118 OD2 ASP A 80 -5.548 -8.560 15.888 1.00 0.00 O ATOM 0 H ASP A 80 -4.516 -5.546 11.433 1.00 0.00 H new ATOM 0 HA ASP A 80 -5.998 -7.626 12.480 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -3.538 -7.614 13.768 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -4.514 -6.613 14.825 1.00 0.00 H new ATOM 1123 N SER A 81 -7.278 -5.452 12.717 1.00 0.00 N ATOM 1124 CA SER A 81 -8.122 -4.315 13.040 1.00 0.00 C ATOM 1125 C SER A 81 -9.333 -4.280 12.106 1.00 0.00 C ATOM 1126 O SER A 81 -9.543 -5.204 11.321 1.00 0.00 O ATOM 1127 CB SER A 81 -7.341 -3.004 12.945 1.00 0.00 C ATOM 1128 OG SER A 81 -6.088 -3.175 12.288 1.00 0.00 O ATOM 0 H SER A 81 -7.670 -6.091 12.025 1.00 0.00 H new ATOM 0 HA SER A 81 -8.467 -4.427 14.068 1.00 0.00 H new ATOM 0 HB2 SER A 81 -7.935 -2.266 12.406 1.00 0.00 H new ATOM 0 HB3 SER A 81 -7.174 -2.608 13.947 1.00 0.00 H new ATOM 0 HG SER A 81 -5.426 -3.508 12.929 1.00 0.00 H new ATOM 1134 N THR A 82 -10.098 -3.205 12.220 1.00 0.00 N ATOM 1135 CA THR A 82 -11.282 -3.037 11.395 1.00 0.00 C ATOM 1136 C THR A 82 -10.990 -2.091 10.229 1.00 0.00 C ATOM 1137 O THR A 82 -10.173 -1.180 10.353 1.00 0.00 O ATOM 1138 CB THR A 82 -12.422 -2.557 12.296 1.00 0.00 C ATOM 1139 OG1 THR A 82 -12.142 -1.176 12.504 1.00 0.00 O ATOM 1140 CG2 THR A 82 -12.356 -3.166 13.698 1.00 0.00 C ATOM 0 H THR A 82 -9.921 -2.441 12.872 1.00 0.00 H new ATOM 0 HA THR A 82 -11.583 -3.980 10.939 1.00 0.00 H new ATOM 0 HB THR A 82 -13.378 -2.807 11.836 1.00 0.00 H new ATOM 0 HG1 THR A 82 -12.834 -0.785 13.077 1.00 0.00 H new ATOM 0 HG21 THR A 82 -13.187 -2.793 14.296 1.00 0.00 H new ATOM 0 HG22 THR A 82 -12.419 -4.252 13.626 1.00 0.00 H new ATOM 0 HG23 THR A 82 -11.414 -2.888 14.171 1.00 0.00 H new ATOM 1148 N PHE A 83 -11.675 -2.339 9.122 1.00 0.00 N ATOM 1149 CA PHE A 83 -11.499 -1.521 7.934 1.00 0.00 C ATOM 1150 C PHE A 83 -11.669 -0.036 8.262 1.00 0.00 C ATOM 1151 O PHE A 83 -11.206 0.825 7.514 1.00 0.00 O ATOM 1152 CB PHE A 83 -12.584 -1.938 6.939 1.00 0.00 C ATOM 1153 CG PHE A 83 -12.790 -0.947 5.792 1.00 0.00 C ATOM 1154 CD1 PHE A 83 -13.413 0.240 6.022 1.00 0.00 C ATOM 1155 CD2 PHE A 83 -12.352 -1.253 4.541 1.00 0.00 C ATOM 1156 CE1 PHE A 83 -13.605 1.159 4.958 1.00 0.00 C ATOM 1157 CE2 PHE A 83 -12.543 -0.333 3.477 1.00 0.00 C ATOM 1158 CZ PHE A 83 -13.166 0.853 3.707 1.00 0.00 C ATOM 0 H PHE A 83 -12.353 -3.095 9.023 1.00 0.00 H new ATOM 0 HA PHE A 83 -10.498 -1.665 7.528 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -12.326 -2.912 6.522 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -13.526 -2.060 7.474 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -13.762 0.483 7.015 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -11.859 -2.196 4.357 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -14.100 2.101 5.141 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -12.193 -0.575 2.484 1.00 0.00 H new ATOM 0 HZ PHE A 83 -13.312 1.552 2.897 1.00 0.00 H new ATOM 1168 N GLU A 84 -12.333 0.219 9.379 1.00 0.00 N ATOM 1169 CA GLU A 84 -12.569 1.585 9.815 1.00 0.00 C ATOM 1170 C GLU A 84 -11.289 2.185 10.398 1.00 0.00 C ATOM 1171 O GLU A 84 -11.035 3.380 10.250 1.00 0.00 O ATOM 1172 CB GLU A 84 -13.715 1.647 10.827 1.00 0.00 C ATOM 1173 CG GLU A 84 -15.072 1.609 10.122 1.00 0.00 C ATOM 1174 CD GLU A 84 -15.967 0.519 10.716 1.00 0.00 C ATOM 1175 OE1 GLU A 84 -15.502 -0.641 10.752 1.00 0.00 O ATOM 1176 OE2 GLU A 84 -17.097 0.870 11.119 1.00 0.00 O ATOM 0 H GLU A 84 -12.715 -0.498 9.996 1.00 0.00 H new ATOM 0 HA GLU A 84 -12.862 2.177 8.948 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -13.638 0.810 11.521 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -13.634 2.559 11.418 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -15.562 2.578 10.216 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -14.928 1.426 9.057 1.00 0.00 H new ATOM 1183 N GLU A 85 -10.515 1.329 11.049 1.00 0.00 N ATOM 1184 CA GLU A 85 -9.266 1.760 11.655 1.00 0.00 C ATOM 1185 C GLU A 85 -8.434 2.555 10.647 1.00 0.00 C ATOM 1186 O GLU A 85 -8.210 3.751 10.829 1.00 0.00 O ATOM 1187 CB GLU A 85 -8.478 0.565 12.195 1.00 0.00 C ATOM 1188 CG GLU A 85 -7.984 0.832 13.618 1.00 0.00 C ATOM 1189 CD GLU A 85 -6.803 1.805 13.615 1.00 0.00 C ATOM 1190 OE1 GLU A 85 -5.897 1.595 12.780 1.00 0.00 O ATOM 1191 OE2 GLU A 85 -6.833 2.736 14.448 1.00 0.00 O ATOM 0 H GLU A 85 -10.728 0.339 11.170 1.00 0.00 H new ATOM 0 HA GLU A 85 -9.499 2.411 12.498 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -9.108 -0.325 12.186 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -7.628 0.361 11.544 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -8.796 1.242 14.218 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -7.685 -0.106 14.085 1.00 0.00 H new ATOM 1198 N ALA A 86 -7.999 1.860 9.607 1.00 0.00 N ATOM 1199 CA ALA A 86 -7.196 2.487 8.571 1.00 0.00 C ATOM 1200 C ALA A 86 -7.855 3.800 8.146 1.00 0.00 C ATOM 1201 O ALA A 86 -7.221 4.854 8.172 1.00 0.00 O ATOM 1202 CB ALA A 86 -7.023 1.515 7.401 1.00 0.00 C ATOM 0 H ALA A 86 -8.187 0.868 9.459 1.00 0.00 H new ATOM 0 HA ALA A 86 -6.201 2.725 8.947 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.421 1.985 6.624 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.524 0.611 7.750 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -8.001 1.256 6.995 1.00 0.00 H new ATOM 1208 N ASN A 87 -9.119 3.694 7.764 1.00 0.00 N ATOM 1209 CA ASN A 87 -9.872 4.860 7.333 1.00 0.00 C ATOM 1210 C ASN A 87 -9.723 5.970 8.375 1.00 0.00 C ATOM 1211 O ASN A 87 -9.744 7.152 8.036 1.00 0.00 O ATOM 1212 CB ASN A 87 -11.361 4.536 7.197 1.00 0.00 C ATOM 1213 CG ASN A 87 -11.992 5.328 6.050 1.00 0.00 C ATOM 1214 OD1 ASN A 87 -12.510 6.418 6.226 1.00 0.00 O ATOM 1215 ND2 ASN A 87 -11.919 4.722 4.869 1.00 0.00 N ATOM 0 H ASN A 87 -9.641 2.818 7.744 1.00 0.00 H new ATOM 0 HA ASN A 87 -9.482 5.174 6.365 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -11.490 3.468 7.020 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -11.874 4.769 8.130 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -12.311 5.170 4.041 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -11.471 3.809 4.791 1.00 0.00 H new ATOM 1222 N GLN A 88 -9.578 5.551 9.624 1.00 0.00 N ATOM 1223 CA GLN A 88 -9.426 6.495 10.718 1.00 0.00 C ATOM 1224 C GLN A 88 -8.016 7.089 10.715 1.00 0.00 C ATOM 1225 O GLN A 88 -7.833 8.264 11.030 1.00 0.00 O ATOM 1226 CB GLN A 88 -9.739 5.833 12.061 1.00 0.00 C ATOM 1227 CG GLN A 88 -10.850 6.584 12.797 1.00 0.00 C ATOM 1228 CD GLN A 88 -12.120 6.656 11.946 1.00 0.00 C ATOM 1229 OE1 GLN A 88 -12.597 7.720 11.586 1.00 0.00 O ATOM 1230 NE2 GLN A 88 -12.639 5.469 11.647 1.00 0.00 N ATOM 0 H GLN A 88 -9.563 4.570 9.902 1.00 0.00 H new ATOM 0 HA GLN A 88 -10.141 7.305 10.574 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -10.040 4.798 11.899 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -8.840 5.810 12.677 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -11.068 6.084 13.741 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -10.513 7.592 13.040 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -12.189 4.617 11.981 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -13.487 5.411 11.084 1.00 0.00 H new ATOM 1239 N LEU A 89 -7.056 6.250 10.355 1.00 0.00 N ATOM 1240 CA LEU A 89 -5.668 6.677 10.307 1.00 0.00 C ATOM 1241 C LEU A 89 -5.549 7.908 9.406 1.00 0.00 C ATOM 1242 O LEU A 89 -4.957 8.913 9.796 1.00 0.00 O ATOM 1243 CB LEU A 89 -4.764 5.517 9.886 1.00 0.00 C ATOM 1244 CG LEU A 89 -4.670 4.348 10.869 1.00 0.00 C ATOM 1245 CD1 LEU A 89 -3.408 3.521 10.619 1.00 0.00 C ATOM 1246 CD2 LEU A 89 -4.755 4.841 12.315 1.00 0.00 C ATOM 0 H LEU A 89 -7.212 5.276 10.094 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.326 6.973 11.299 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.120 5.134 8.930 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.760 5.907 9.719 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.523 3.691 10.701 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -3.366 2.697 11.331 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.429 3.123 9.604 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.528 4.153 10.743 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -4.686 3.991 12.994 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -3.935 5.531 12.513 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -5.705 5.353 12.470 1.00 0.00 H new ATOM 1258 N LEU A 90 -6.121 7.789 8.217 1.00 0.00 N ATOM 1259 CA LEU A 90 -6.086 8.879 7.257 1.00 0.00 C ATOM 1260 C LEU A 90 -6.667 10.139 7.902 1.00 0.00 C ATOM 1261 O LEU A 90 -6.003 11.173 7.961 1.00 0.00 O ATOM 1262 CB LEU A 90 -6.788 8.473 5.959 1.00 0.00 C ATOM 1263 CG LEU A 90 -6.266 7.204 5.283 1.00 0.00 C ATOM 1264 CD1 LEU A 90 -6.741 7.121 3.831 1.00 0.00 C ATOM 1265 CD2 LEU A 90 -4.743 7.109 5.395 1.00 0.00 C ATOM 0 H LEU A 90 -6.611 6.954 7.896 1.00 0.00 H new ATOM 0 HA LEU A 90 -5.058 9.108 6.978 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -7.849 8.338 6.170 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.706 9.298 5.251 1.00 0.00 H new ATOM 0 HG LEU A 90 -6.681 6.343 5.807 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -6.356 6.210 3.374 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -7.831 7.108 3.805 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -6.375 7.987 3.279 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -4.398 6.198 4.906 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.288 7.974 4.912 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.456 7.088 6.446 1.00 0.00 H new ATOM 1277 N ARG A 91 -7.900 10.012 8.369 1.00 0.00 N ATOM 1278 CA ARG A 91 -8.577 11.127 9.007 1.00 0.00 C ATOM 1279 C ARG A 91 -7.682 11.748 10.082 1.00 0.00 C ATOM 1280 O ARG A 91 -7.769 12.944 10.352 1.00 0.00 O ATOM 1281 CB ARG A 91 -9.894 10.680 9.646 1.00 0.00 C ATOM 1282 CG ARG A 91 -10.889 10.214 8.582 1.00 0.00 C ATOM 1283 CD ARG A 91 -12.284 10.785 8.848 1.00 0.00 C ATOM 1284 NE ARG A 91 -12.496 12.003 8.036 1.00 0.00 N ATOM 1285 CZ ARG A 91 -12.703 11.997 6.712 1.00 0.00 C ATOM 1286 NH1 ARG A 91 -12.727 10.836 6.043 1.00 0.00 N ATOM 1287 NH2 ARG A 91 -12.886 13.152 6.057 1.00 0.00 N ATOM 0 H ARG A 91 -8.448 9.153 8.318 1.00 0.00 H new ATOM 0 HA ARG A 91 -8.793 11.867 8.237 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -9.704 9.870 10.351 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -10.324 11.504 10.215 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -10.546 10.527 7.596 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -10.934 9.125 8.573 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -13.043 10.041 8.607 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -12.394 11.020 9.907 1.00 0.00 H new ATOM 0 HE ARG A 91 -12.484 12.904 8.514 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -12.588 9.957 6.542 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -12.885 10.831 5.035 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -12.868 14.036 6.566 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -13.044 13.147 5.049 1.00 0.00 H new ATOM 1301 N ASP A 92 -6.842 10.905 10.666 1.00 0.00 N ATOM 1302 CA ASP A 92 -5.932 11.356 11.704 1.00 0.00 C ATOM 1303 C ASP A 92 -4.675 11.942 11.057 1.00 0.00 C ATOM 1304 O ASP A 92 -4.130 12.934 11.537 1.00 0.00 O ATOM 1305 CB ASP A 92 -5.502 10.194 12.603 1.00 0.00 C ATOM 1306 CG ASP A 92 -4.831 10.605 13.914 1.00 0.00 C ATOM 1307 OD1 ASP A 92 -5.577 11.007 14.833 1.00 0.00 O ATOM 1308 OD2 ASP A 92 -3.586 10.508 13.969 1.00 0.00 O ATOM 0 H ASP A 92 -6.773 9.913 10.440 1.00 0.00 H new ATOM 0 HA ASP A 92 -6.450 12.104 12.304 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -6.379 9.590 12.835 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -4.815 9.557 12.045 1.00 0.00 H new ATOM 1313 N SER A 93 -4.252 11.302 9.976 1.00 0.00 N ATOM 1314 CA SER A 93 -3.071 11.747 9.257 1.00 0.00 C ATOM 1315 C SER A 93 -3.236 13.208 8.832 1.00 0.00 C ATOM 1316 O SER A 93 -2.251 13.931 8.687 1.00 0.00 O ATOM 1317 CB SER A 93 -2.804 10.866 8.036 1.00 0.00 C ATOM 1318 OG SER A 93 -2.534 9.515 8.401 1.00 0.00 O ATOM 0 H SER A 93 -4.707 10.479 9.581 1.00 0.00 H new ATOM 0 HA SER A 93 -2.213 11.664 9.925 1.00 0.00 H new ATOM 0 HB2 SER A 93 -3.667 10.896 7.371 1.00 0.00 H new ATOM 0 HB3 SER A 93 -1.958 11.267 7.478 1.00 0.00 H new ATOM 0 HG SER A 93 -1.697 9.474 8.909 1.00 0.00 H new ATOM 1324 N SER A 94 -4.488 13.598 8.646 1.00 0.00 N ATOM 1325 CA SER A 94 -4.795 14.960 8.240 1.00 0.00 C ATOM 1326 C SER A 94 -4.163 15.952 9.219 1.00 0.00 C ATOM 1327 O SER A 94 -3.988 17.125 8.892 1.00 0.00 O ATOM 1328 CB SER A 94 -6.306 15.183 8.159 1.00 0.00 C ATOM 1329 OG SER A 94 -6.633 16.368 7.439 1.00 0.00 O ATOM 0 H SER A 94 -5.302 12.996 8.769 1.00 0.00 H new ATOM 0 HA SER A 94 -4.378 15.124 7.246 1.00 0.00 H new ATOM 0 HB2 SER A 94 -6.774 14.325 7.676 1.00 0.00 H new ATOM 0 HB3 SER A 94 -6.718 15.246 9.166 1.00 0.00 H new ATOM 0 HG SER A 94 -7.607 16.474 7.408 1.00 0.00 H new ATOM 1335 N ILE A 95 -3.838 15.445 10.399 1.00 0.00 N ATOM 1336 CA ILE A 95 -3.230 16.272 11.427 1.00 0.00 C ATOM 1337 C ILE A 95 -1.913 16.846 10.900 1.00 0.00 C ATOM 1338 O ILE A 95 -1.819 18.041 10.624 1.00 0.00 O ATOM 1339 CB ILE A 95 -3.080 15.484 12.730 1.00 0.00 C ATOM 1340 CG1 ILE A 95 -4.406 15.427 13.491 1.00 0.00 C ATOM 1341 CG2 ILE A 95 -1.950 16.054 13.588 1.00 0.00 C ATOM 1342 CD1 ILE A 95 -4.411 14.274 14.497 1.00 0.00 C ATOM 0 H ILE A 95 -3.984 14.472 10.666 1.00 0.00 H new ATOM 0 HA ILE A 95 -3.874 17.118 11.666 1.00 0.00 H new ATOM 0 HB ILE A 95 -2.808 14.458 12.480 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -4.571 16.370 14.012 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -5.229 15.304 12.787 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -1.865 15.476 14.508 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -1.011 15.999 13.037 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -2.167 17.094 13.832 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.365 14.256 15.025 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -4.270 13.331 13.970 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -3.602 14.413 15.214 1.00 0.00 H new ATOM 1354 N THR A 96 -0.929 15.968 10.777 1.00 0.00 N ATOM 1355 CA THR A 96 0.378 16.372 10.288 1.00 0.00 C ATOM 1356 C THR A 96 0.272 16.907 8.859 1.00 0.00 C ATOM 1357 O THR A 96 1.205 17.529 8.354 1.00 0.00 O ATOM 1358 CB THR A 96 1.323 15.176 10.420 1.00 0.00 C ATOM 1359 OG1 THR A 96 2.588 15.685 10.005 1.00 0.00 O ATOM 1360 CG2 THR A 96 1.015 14.071 9.408 1.00 0.00 C ATOM 0 H THR A 96 -1.011 14.978 11.008 1.00 0.00 H new ATOM 0 HA THR A 96 0.784 17.193 10.879 1.00 0.00 H new ATOM 0 HB THR A 96 1.256 14.771 11.430 1.00 0.00 H new ATOM 0 HG1 THR A 96 2.456 16.357 9.304 1.00 0.00 H new ATOM 0 HG21 THR A 96 1.715 13.247 9.545 1.00 0.00 H new ATOM 0 HG22 THR A 96 -0.003 13.712 9.560 1.00 0.00 H new ATOM 0 HG23 THR A 96 1.114 14.466 8.397 1.00 0.00 H new ATOM 1368 N SER A 97 -0.874 16.646 8.247 1.00 0.00 N ATOM 1369 CA SER A 97 -1.115 17.093 6.886 1.00 0.00 C ATOM 1370 C SER A 97 -0.405 16.167 5.897 1.00 0.00 C ATOM 1371 O SER A 97 -0.082 16.574 4.782 1.00 0.00 O ATOM 1372 CB SER A 97 -0.648 18.537 6.690 1.00 0.00 C ATOM 1373 OG SER A 97 -1.679 19.363 6.155 1.00 0.00 O ATOM 0 H SER A 97 -1.646 16.130 8.669 1.00 0.00 H new ATOM 0 HA SER A 97 -2.188 17.058 6.700 1.00 0.00 H new ATOM 0 HB2 SER A 97 -0.317 18.944 7.645 1.00 0.00 H new ATOM 0 HB3 SER A 97 0.213 18.552 6.021 1.00 0.00 H new ATOM 0 HG SER A 97 -1.343 20.277 6.046 1.00 0.00 H new ATOM 1379 N LYS A 98 -0.183 14.938 6.341 1.00 0.00 N ATOM 1380 CA LYS A 98 0.484 13.951 5.509 1.00 0.00 C ATOM 1381 C LYS A 98 0.247 12.556 6.092 1.00 0.00 C ATOM 1382 O LYS A 98 -0.002 12.413 7.288 1.00 0.00 O ATOM 1383 CB LYS A 98 1.963 14.303 5.340 1.00 0.00 C ATOM 1384 CG LYS A 98 2.818 13.600 6.395 1.00 0.00 C ATOM 1385 CD LYS A 98 3.930 14.521 6.903 1.00 0.00 C ATOM 1386 CE LYS A 98 5.193 14.376 6.053 1.00 0.00 C ATOM 1387 NZ LYS A 98 6.287 15.207 6.604 1.00 0.00 N ATOM 0 H LYS A 98 -0.453 14.604 7.266 1.00 0.00 H new ATOM 0 HA LYS A 98 0.063 13.954 4.504 1.00 0.00 H new ATOM 0 HB2 LYS A 98 2.298 14.014 4.344 1.00 0.00 H new ATOM 0 HB3 LYS A 98 2.095 15.382 5.420 1.00 0.00 H new ATOM 0 HG2 LYS A 98 2.189 13.289 7.229 1.00 0.00 H new ATOM 0 HG3 LYS A 98 3.255 12.696 5.971 1.00 0.00 H new ATOM 0 HD2 LYS A 98 3.589 15.556 6.880 1.00 0.00 H new ATOM 0 HD3 LYS A 98 4.157 14.283 7.942 1.00 0.00 H new ATOM 0 HE2 LYS A 98 5.501 13.331 6.025 1.00 0.00 H new ATOM 0 HE3 LYS A 98 4.983 14.675 5.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 7.137 15.097 6.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 5.996 16.205 6.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 6.498 14.903 7.576 1.00 0.00 H new ATOM 1401 N VAL A 99 0.332 11.563 5.219 1.00 0.00 N ATOM 1402 CA VAL A 99 0.130 10.185 5.632 1.00 0.00 C ATOM 1403 C VAL A 99 1.271 9.322 5.088 1.00 0.00 C ATOM 1404 O VAL A 99 1.690 9.490 3.945 1.00 0.00 O ATOM 1405 CB VAL A 99 -1.251 9.701 5.184 1.00 0.00 C ATOM 1406 CG1 VAL A 99 -1.396 9.790 3.663 1.00 0.00 C ATOM 1407 CG2 VAL A 99 -1.521 8.279 5.678 1.00 0.00 C ATOM 0 H VAL A 99 0.538 11.685 4.228 1.00 0.00 H new ATOM 0 HA VAL A 99 0.151 10.105 6.719 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.997 10.358 5.631 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -2.386 9.440 3.371 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -1.268 10.825 3.345 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -0.637 9.168 3.188 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.509 7.960 5.346 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.767 7.604 5.274 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.480 8.258 6.767 1.00 0.00 H new ATOM 1417 N THR A 100 1.740 8.416 5.934 1.00 0.00 N ATOM 1418 CA THR A 100 2.824 7.527 5.553 1.00 0.00 C ATOM 1419 C THR A 100 2.294 6.110 5.321 1.00 0.00 C ATOM 1420 O THR A 100 2.046 5.373 6.274 1.00 0.00 O ATOM 1421 CB THR A 100 3.901 7.603 6.637 1.00 0.00 C ATOM 1422 OG1 THR A 100 4.508 8.876 6.435 1.00 0.00 O ATOM 1423 CG2 THR A 100 5.039 6.607 6.403 1.00 0.00 C ATOM 0 H THR A 100 1.389 8.279 6.882 1.00 0.00 H new ATOM 0 HA THR A 100 3.272 7.832 4.607 1.00 0.00 H new ATOM 0 HB THR A 100 3.449 7.416 7.611 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.218 9.009 7.098 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.776 6.703 7.200 1.00 0.00 H new ATOM 0 HG22 THR A 100 4.640 5.593 6.398 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.513 6.815 5.444 1.00 0.00 H new ATOM 1431 N LEU A 101 2.138 5.772 4.050 1.00 0.00 N ATOM 1432 CA LEU A 101 1.643 4.457 3.681 1.00 0.00 C ATOM 1433 C LEU A 101 2.824 3.498 3.520 1.00 0.00 C ATOM 1434 O LEU A 101 3.675 3.696 2.654 1.00 0.00 O ATOM 1435 CB LEU A 101 0.752 4.549 2.440 1.00 0.00 C ATOM 1436 CG LEU A 101 -0.631 5.169 2.651 1.00 0.00 C ATOM 1437 CD1 LEU A 101 -1.553 4.209 3.406 1.00 0.00 C ATOM 1438 CD2 LEU A 101 -0.522 6.526 3.348 1.00 0.00 C ATOM 0 H LEU A 101 2.346 6.386 3.262 1.00 0.00 H new ATOM 0 HA LEU A 101 1.010 4.053 4.471 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.277 5.131 1.682 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.620 3.545 2.036 1.00 0.00 H new ATOM 0 HG LEU A 101 -1.080 5.344 1.673 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -2.529 4.674 3.543 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -1.667 3.288 2.834 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -1.121 3.980 4.380 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -1.519 6.945 3.486 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -0.044 6.399 4.319 1.00 0.00 H new ATOM 0 HD23 LEU A 101 0.075 7.202 2.736 1.00 0.00 H new ATOM 1450 N GLU A 102 2.839 2.481 4.368 1.00 0.00 N ATOM 1451 CA GLU A 102 3.902 1.491 4.331 1.00 0.00 C ATOM 1452 C GLU A 102 3.557 0.378 3.340 1.00 0.00 C ATOM 1453 O GLU A 102 2.694 -0.455 3.613 1.00 0.00 O ATOM 1454 CB GLU A 102 4.169 0.920 5.726 1.00 0.00 C ATOM 1455 CG GLU A 102 5.413 0.030 5.725 1.00 0.00 C ATOM 1456 CD GLU A 102 6.108 0.058 7.087 1.00 0.00 C ATOM 1457 OE1 GLU A 102 5.578 -0.599 8.009 1.00 0.00 O ATOM 1458 OE2 GLU A 102 7.155 0.736 7.176 1.00 0.00 O ATOM 0 H GLU A 102 2.132 2.321 5.085 1.00 0.00 H new ATOM 0 HA GLU A 102 4.816 1.980 3.994 1.00 0.00 H new ATOM 0 HB2 GLU A 102 4.301 1.735 6.437 1.00 0.00 H new ATOM 0 HB3 GLU A 102 3.306 0.344 6.058 1.00 0.00 H new ATOM 0 HG2 GLU A 102 5.132 -0.994 5.477 1.00 0.00 H new ATOM 0 HG3 GLU A 102 6.105 0.367 4.953 1.00 0.00 H new ATOM 1465 N ILE A 103 4.249 0.400 2.210 1.00 0.00 N ATOM 1466 CA ILE A 103 4.026 -0.598 1.177 1.00 0.00 C ATOM 1467 C ILE A 103 5.203 -1.576 1.157 1.00 0.00 C ATOM 1468 O ILE A 103 6.265 -1.286 1.705 1.00 0.00 O ATOM 1469 CB ILE A 103 3.764 0.077 -0.171 1.00 0.00 C ATOM 1470 CG1 ILE A 103 2.730 1.196 -0.031 1.00 0.00 C ATOM 1471 CG2 ILE A 103 3.357 -0.951 -1.228 1.00 0.00 C ATOM 1472 CD1 ILE A 103 1.324 0.623 0.157 1.00 0.00 C ATOM 0 H ILE A 103 4.964 1.093 1.987 1.00 0.00 H new ATOM 0 HA ILE A 103 3.131 -1.180 1.395 1.00 0.00 H new ATOM 0 HB ILE A 103 4.692 0.537 -0.510 1.00 0.00 H new ATOM 0 HG12 ILE A 103 2.986 1.828 0.820 1.00 0.00 H new ATOM 0 HG13 ILE A 103 2.753 1.830 -0.917 1.00 0.00 H new ATOM 0 HG21 ILE A 103 3.177 -0.445 -2.177 1.00 0.00 H new ATOM 0 HG22 ILE A 103 4.157 -1.681 -1.352 1.00 0.00 H new ATOM 0 HG23 ILE A 103 2.447 -1.460 -0.909 1.00 0.00 H new ATOM 0 HD11 ILE A 103 0.608 1.439 0.254 1.00 0.00 H new ATOM 0 HD12 ILE A 103 1.062 0.011 -0.706 1.00 0.00 H new ATOM 0 HD13 ILE A 103 1.299 0.009 1.058 1.00 0.00 H new ATOM 1484 N GLU A 104 4.973 -2.714 0.518 1.00 0.00 N ATOM 1485 CA GLU A 104 6.001 -3.736 0.419 1.00 0.00 C ATOM 1486 C GLU A 104 5.906 -4.455 -0.929 1.00 0.00 C ATOM 1487 O GLU A 104 4.863 -5.011 -1.268 1.00 0.00 O ATOM 1488 CB GLU A 104 5.900 -4.730 1.578 1.00 0.00 C ATOM 1489 CG GLU A 104 6.658 -6.020 1.262 1.00 0.00 C ATOM 1490 CD GLU A 104 7.184 -6.675 2.541 1.00 0.00 C ATOM 1491 OE1 GLU A 104 6.396 -7.420 3.163 1.00 0.00 O ATOM 1492 OE2 GLU A 104 8.362 -6.415 2.869 1.00 0.00 O ATOM 0 H GLU A 104 4.091 -2.950 0.064 1.00 0.00 H new ATOM 0 HA GLU A 104 6.975 -3.251 0.483 1.00 0.00 H new ATOM 0 HB2 GLU A 104 6.304 -4.279 2.484 1.00 0.00 H new ATOM 0 HB3 GLU A 104 4.853 -4.959 1.775 1.00 0.00 H new ATOM 0 HG2 GLU A 104 6.000 -6.713 0.738 1.00 0.00 H new ATOM 0 HG3 GLU A 104 7.490 -5.802 0.592 1.00 0.00 H new ATOM 1499 N PHE A 105 7.010 -4.420 -1.661 1.00 0.00 N ATOM 1500 CA PHE A 105 7.065 -5.061 -2.963 1.00 0.00 C ATOM 1501 C PHE A 105 8.166 -6.122 -3.007 1.00 0.00 C ATOM 1502 O PHE A 105 8.916 -6.284 -2.045 1.00 0.00 O ATOM 1503 CB PHE A 105 7.384 -3.969 -3.986 1.00 0.00 C ATOM 1504 CG PHE A 105 8.513 -3.029 -3.561 1.00 0.00 C ATOM 1505 CD1 PHE A 105 8.292 -2.091 -2.601 1.00 0.00 C ATOM 1506 CD2 PHE A 105 9.738 -3.131 -4.142 1.00 0.00 C ATOM 1507 CE1 PHE A 105 9.340 -1.218 -2.206 1.00 0.00 C ATOM 1508 CE2 PHE A 105 10.787 -2.258 -3.747 1.00 0.00 C ATOM 1509 CZ PHE A 105 10.565 -1.320 -2.787 1.00 0.00 C ATOM 0 H PHE A 105 7.873 -3.957 -1.377 1.00 0.00 H new ATOM 0 HA PHE A 105 6.116 -5.553 -3.175 1.00 0.00 H new ATOM 0 HB2 PHE A 105 7.653 -4.439 -4.932 1.00 0.00 H new ATOM 0 HB3 PHE A 105 6.484 -3.381 -4.167 1.00 0.00 H new ATOM 0 HD1 PHE A 105 7.319 -2.010 -2.139 1.00 0.00 H new ATOM 0 HD2 PHE A 105 9.914 -3.876 -4.904 1.00 0.00 H new ATOM 0 HE1 PHE A 105 9.164 -0.473 -1.444 1.00 0.00 H new ATOM 0 HE2 PHE A 105 11.760 -2.339 -4.209 1.00 0.00 H new ATOM 0 HZ PHE A 105 11.362 -0.656 -2.486 1.00 0.00 H new ATOM 1519 N ASP A 106 8.230 -6.817 -4.133 1.00 0.00 N ATOM 1520 CA ASP A 106 9.228 -7.858 -4.314 1.00 0.00 C ATOM 1521 C ASP A 106 10.368 -7.320 -5.181 1.00 0.00 C ATOM 1522 O ASP A 106 10.159 -6.432 -6.006 1.00 0.00 O ATOM 1523 CB ASP A 106 8.630 -9.076 -5.021 1.00 0.00 C ATOM 1524 CG ASP A 106 7.690 -8.753 -6.184 1.00 0.00 C ATOM 1525 OD1 ASP A 106 7.802 -7.623 -6.707 1.00 0.00 O ATOM 1526 OD2 ASP A 106 6.881 -9.643 -6.524 1.00 0.00 O ATOM 0 H ASP A 106 7.607 -6.680 -4.929 1.00 0.00 H new ATOM 0 HA ASP A 106 9.590 -8.154 -3.329 1.00 0.00 H new ATOM 0 HB2 ASP A 106 9.445 -9.697 -5.394 1.00 0.00 H new ATOM 0 HB3 ASP A 106 8.085 -9.671 -4.288 1.00 0.00 H new