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 :FLIP amide:sc= -0.125 F(o=-1.3,f=-0.3) USER MOD Set 1.2: A 93 SER OG : rot 130:sc= -0.175 USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.00893 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.372 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 54:sc= 0.814 USER MOD Single : A 32 GLN : amide:sc= -0.177 K(o=-0.18,f=-3!) USER MOD Single : A 34 GLN : amide:sc= -0.0475 X(o=-0.047,f=-0.036) 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 -107:sc= 0.3 USER MOD Single : A 61 CYS SG : rot 180:sc= -0.0452 USER MOD Single : A 65 GLN : amide:sc= -1.24 K(o=-1.2,f=-5.4!) USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 64:sc= 0.789 USER MOD Single : A 81 SER OG : rot -173:sc= 0.00696 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.00709 USER MOD Single : A 87 ASN : amide:sc= -0.0124 X(o=-0.012,f=0.041) USER MOD Single : A 88 GLN : amide:sc= -0.0954 X(o=-0.095,f=0) USER MOD Single : A 94 SER OG : rot 68:sc= 0.472 USER MOD Single : A 96 THR OG1 : rot -18:sc= 0.836 USER MOD Single : A 97 SER OG : rot 180:sc= -0.143 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 13.715 -11.463 -1.841 1.00 0.00 N ATOM 133 CA HIS A 13 13.515 -10.526 -0.748 1.00 0.00 C ATOM 134 C HIS A 13 12.460 -9.492 -1.146 1.00 0.00 C ATOM 135 O HIS A 13 12.154 -9.335 -2.327 1.00 0.00 O ATOM 136 CB HIS A 13 14.841 -9.890 -0.328 1.00 0.00 C ATOM 137 CG HIS A 13 15.500 -9.071 -1.413 1.00 0.00 C ATOM 138 ND1 HIS A 13 16.279 -9.635 -2.408 1.00 0.00 N ATOM 139 CD2 HIS A 13 15.488 -7.728 -1.648 1.00 0.00 C ATOM 140 CE1 HIS A 13 16.712 -8.665 -3.200 1.00 0.00 C ATOM 141 NE2 HIS A 13 16.221 -7.484 -2.727 1.00 0.00 N ATOM 0 HA HIS A 13 13.141 -11.057 0.128 1.00 0.00 H new ATOM 0 HB2 HIS A 13 14.668 -9.253 0.540 1.00 0.00 H new ATOM 0 HB3 HIS A 13 15.526 -10.677 -0.014 1.00 0.00 H new ATOM 0 HD2 HIS A 13 14.970 -6.988 -1.056 1.00 0.00 H new ATOM 0 HE1 HIS A 13 17.343 -8.788 -4.068 1.00 0.00 H new ATOM 0 HE2 HIS A 13 16.389 -6.565 -3.135 1.00 0.00 H new ATOM 149 N THR A 14 11.934 -8.812 -0.138 1.00 0.00 N ATOM 150 CA THR A 14 10.920 -7.797 -0.368 1.00 0.00 C ATOM 151 C THR A 14 11.344 -6.468 0.261 1.00 0.00 C ATOM 152 O THR A 14 11.920 -6.448 1.348 1.00 0.00 O ATOM 153 CB THR A 14 9.589 -8.327 0.170 1.00 0.00 C ATOM 154 OG1 THR A 14 9.961 -9.121 1.294 1.00 0.00 O ATOM 155 CG2 THR A 14 8.925 -9.321 -0.785 1.00 0.00 C ATOM 0 H THR A 14 12.191 -8.944 0.840 1.00 0.00 H new ATOM 0 HA THR A 14 10.798 -7.593 -1.432 1.00 0.00 H new ATOM 0 HB THR A 14 8.913 -7.492 0.352 1.00 0.00 H new ATOM 0 HG1 THR A 14 9.157 -9.503 1.705 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.985 -9.666 -0.355 1.00 0.00 H new ATOM 0 HG22 THR A 14 8.730 -8.833 -1.740 1.00 0.00 H new ATOM 0 HG23 THR A 14 9.587 -10.173 -0.941 1.00 0.00 H new ATOM 163 N GLU A 15 11.041 -5.391 -0.449 1.00 0.00 N ATOM 164 CA GLU A 15 11.384 -4.062 0.026 1.00 0.00 C ATOM 165 C GLU A 15 10.116 -3.280 0.376 1.00 0.00 C ATOM 166 O GLU A 15 9.037 -3.582 -0.132 1.00 0.00 O ATOM 167 CB GLU A 15 12.224 -3.309 -1.008 1.00 0.00 C ATOM 168 CG GLU A 15 13.717 -3.570 -0.795 1.00 0.00 C ATOM 169 CD GLU A 15 14.531 -2.292 -1.007 1.00 0.00 C ATOM 170 OE1 GLU A 15 14.709 -1.560 -0.010 1.00 0.00 O ATOM 171 OE2 GLU A 15 14.959 -2.077 -2.162 1.00 0.00 O ATOM 0 H GLU A 15 10.562 -5.412 -1.349 1.00 0.00 H new ATOM 0 HA GLU A 15 11.986 -4.165 0.929 1.00 0.00 H new ATOM 0 HB2 GLU A 15 11.936 -3.620 -2.012 1.00 0.00 H new ATOM 0 HB3 GLU A 15 12.024 -2.240 -0.936 1.00 0.00 H new ATOM 0 HG2 GLU A 15 13.884 -3.949 0.213 1.00 0.00 H new ATOM 0 HG3 GLU A 15 14.057 -4.341 -1.486 1.00 0.00 H new ATOM 178 N THR A 16 10.288 -2.291 1.240 1.00 0.00 N ATOM 179 CA THR A 16 9.171 -1.464 1.663 1.00 0.00 C ATOM 180 C THR A 16 9.420 0.000 1.293 1.00 0.00 C ATOM 181 O THR A 16 10.537 0.497 1.433 1.00 0.00 O ATOM 182 CB THR A 16 8.961 -1.684 3.163 1.00 0.00 C ATOM 183 OG1 THR A 16 10.261 -2.000 3.653 1.00 0.00 O ATOM 184 CG2 THR A 16 8.135 -2.937 3.460 1.00 0.00 C ATOM 0 H THR A 16 11.184 -2.044 1.659 1.00 0.00 H new ATOM 0 HA THR A 16 8.253 -1.745 1.146 1.00 0.00 H new ATOM 0 HB THR A 16 8.466 -0.813 3.592 1.00 0.00 H new ATOM 0 HG1 THR A 16 10.217 -2.156 4.619 1.00 0.00 H new ATOM 0 HG21 THR A 16 8.015 -3.047 4.538 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.154 -2.845 2.994 1.00 0.00 H new ATOM 0 HG23 THR A 16 8.646 -3.813 3.061 1.00 0.00 H new ATOM 192 N THR A 17 8.362 0.648 0.828 1.00 0.00 N ATOM 193 CA THR A 17 8.453 2.044 0.437 1.00 0.00 C ATOM 194 C THR A 17 7.641 2.920 1.393 1.00 0.00 C ATOM 195 O THR A 17 6.782 2.421 2.120 1.00 0.00 O ATOM 196 CB THR A 17 8.003 2.157 -1.021 1.00 0.00 C ATOM 197 OG1 THR A 17 7.901 3.561 -1.245 1.00 0.00 O ATOM 198 CG2 THR A 17 6.578 1.641 -1.235 1.00 0.00 C ATOM 0 H THR A 17 7.438 0.232 0.713 1.00 0.00 H new ATOM 0 HA THR A 17 9.478 2.407 0.505 1.00 0.00 H new ATOM 0 HB THR A 17 8.691 1.600 -1.658 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.616 3.725 -2.168 1.00 0.00 H new ATOM 0 HG21 THR A 17 6.308 1.744 -2.286 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.524 0.591 -0.947 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.886 2.220 -0.624 1.00 0.00 H new ATOM 206 N GLU A 18 7.940 4.210 1.362 1.00 0.00 N ATOM 207 CA GLU A 18 7.249 5.160 2.217 1.00 0.00 C ATOM 208 C GLU A 18 6.615 6.269 1.375 1.00 0.00 C ATOM 209 O GLU A 18 7.322 7.082 0.781 1.00 0.00 O ATOM 210 CB GLU A 18 8.196 5.742 3.269 1.00 0.00 C ATOM 211 CG GLU A 18 7.972 5.085 4.632 1.00 0.00 C ATOM 212 CD GLU A 18 9.280 5.002 5.422 1.00 0.00 C ATOM 213 OE1 GLU A 18 9.910 6.068 5.590 1.00 0.00 O ATOM 214 OE2 GLU A 18 9.619 3.874 5.840 1.00 0.00 O ATOM 0 H GLU A 18 8.652 4.620 0.758 1.00 0.00 H new ATOM 0 HA GLU A 18 6.454 4.633 2.745 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.229 5.593 2.955 1.00 0.00 H new ATOM 0 HB3 GLU A 18 8.039 6.818 3.350 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.236 5.656 5.199 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.562 4.085 4.495 1.00 0.00 H new ATOM 221 N VAL A 19 5.291 6.267 1.351 1.00 0.00 N ATOM 222 CA VAL A 19 4.554 7.263 0.592 1.00 0.00 C ATOM 223 C VAL A 19 4.163 8.417 1.517 1.00 0.00 C ATOM 224 O VAL A 19 3.641 8.194 2.608 1.00 0.00 O ATOM 225 CB VAL A 19 3.351 6.614 -0.095 1.00 0.00 C ATOM 226 CG1 VAL A 19 2.774 7.532 -1.174 1.00 0.00 C ATOM 227 CG2 VAL A 19 3.724 5.249 -0.678 1.00 0.00 C ATOM 0 H VAL A 19 4.709 5.591 1.845 1.00 0.00 H new ATOM 0 HA VAL A 19 5.178 7.678 -0.199 1.00 0.00 H new ATOM 0 HB VAL A 19 2.579 6.457 0.658 1.00 0.00 H new ATOM 0 HG11 VAL A 19 1.920 7.046 -1.646 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.453 8.470 -0.720 1.00 0.00 H new ATOM 0 HG13 VAL A 19 3.537 7.735 -1.925 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.851 4.809 -1.161 1.00 0.00 H new ATOM 0 HG22 VAL A 19 4.521 5.372 -1.411 1.00 0.00 H new ATOM 0 HG23 VAL A 19 4.066 4.593 0.122 1.00 0.00 H new ATOM 237 N VAL A 20 4.432 9.627 1.048 1.00 0.00 N ATOM 238 CA VAL A 20 4.115 10.817 1.819 1.00 0.00 C ATOM 239 C VAL A 20 3.154 11.698 1.018 1.00 0.00 C ATOM 240 O VAL A 20 3.578 12.438 0.132 1.00 0.00 O ATOM 241 CB VAL A 20 5.402 11.542 2.215 1.00 0.00 C ATOM 242 CG1 VAL A 20 5.100 12.947 2.740 1.00 0.00 C ATOM 243 CG2 VAL A 20 6.195 10.731 3.242 1.00 0.00 C ATOM 0 H VAL A 20 4.866 9.809 0.143 1.00 0.00 H new ATOM 0 HA VAL A 20 3.611 10.548 2.747 1.00 0.00 H new ATOM 0 HB VAL A 20 6.018 11.643 1.321 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.032 13.441 3.015 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.598 13.525 1.964 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.455 12.877 3.616 1.00 0.00 H new ATOM 0 HG21 VAL A 20 7.105 11.269 3.506 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.589 10.583 4.136 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.457 9.762 2.817 1.00 0.00 H new ATOM 253 N LEU A 21 1.878 11.588 1.359 1.00 0.00 N ATOM 254 CA LEU A 21 0.854 12.366 0.682 1.00 0.00 C ATOM 255 C LEU A 21 0.508 13.592 1.529 1.00 0.00 C ATOM 256 O LEU A 21 0.097 13.459 2.681 1.00 0.00 O ATOM 257 CB LEU A 21 -0.354 11.487 0.350 1.00 0.00 C ATOM 258 CG LEU A 21 -0.080 10.286 -0.557 1.00 0.00 C ATOM 259 CD1 LEU A 21 1.218 10.477 -1.344 1.00 0.00 C ATOM 260 CD2 LEU A 21 -0.076 8.983 0.245 1.00 0.00 C ATOM 0 H LEU A 21 1.530 10.973 2.094 1.00 0.00 H new ATOM 0 HA LEU A 21 1.225 12.734 -0.275 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.780 11.122 1.284 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.112 12.110 -0.124 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.890 10.216 -1.283 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.389 9.609 -1.981 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.140 11.371 -1.963 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.051 10.587 -0.650 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.121 8.145 -0.423 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.700 9.028 1.009 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.047 8.846 0.722 1.00 0.00 H new ATOM 272 N THR A 22 0.686 14.758 0.926 1.00 0.00 N ATOM 273 CA THR A 22 0.397 16.007 1.611 1.00 0.00 C ATOM 274 C THR A 22 -1.092 16.340 1.507 1.00 0.00 C ATOM 275 O THR A 22 -1.556 16.811 0.469 1.00 0.00 O ATOM 276 CB THR A 22 1.305 17.089 1.023 1.00 0.00 C ATOM 277 OG1 THR A 22 2.553 16.429 0.831 1.00 0.00 O ATOM 278 CG2 THR A 22 1.621 18.198 2.028 1.00 0.00 C ATOM 0 H THR A 22 1.027 14.865 -0.029 1.00 0.00 H new ATOM 0 HA THR A 22 0.607 15.931 2.678 1.00 0.00 H new ATOM 0 HB THR A 22 0.830 17.522 0.142 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.201 17.058 0.451 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.268 18.940 1.560 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.694 18.675 2.347 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.126 17.771 2.894 1.00 0.00 H new ATOM 286 N ALA A 23 -1.801 16.083 2.596 1.00 0.00 N ATOM 287 CA ALA A 23 -3.228 16.350 2.641 1.00 0.00 C ATOM 288 C ALA A 23 -3.528 17.633 1.862 1.00 0.00 C ATOM 289 O ALA A 23 -3.390 18.733 2.395 1.00 0.00 O ATOM 290 CB ALA A 23 -3.687 16.433 4.098 1.00 0.00 C ATOM 0 H ALA A 23 -1.413 15.692 3.455 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.784 15.540 2.169 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.758 16.633 4.131 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.479 15.488 4.599 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.152 17.237 4.603 1.00 0.00 H new ATOM 296 N ASP A 24 -3.931 17.448 0.613 1.00 0.00 N ATOM 297 CA ASP A 24 -4.250 18.577 -0.244 1.00 0.00 C ATOM 298 C ASP A 24 -5.468 19.311 0.320 1.00 0.00 C ATOM 299 O ASP A 24 -6.217 18.755 1.122 1.00 0.00 O ATOM 300 CB ASP A 24 -4.592 18.112 -1.661 1.00 0.00 C ATOM 301 CG ASP A 24 -3.851 18.848 -2.779 1.00 0.00 C ATOM 302 OD1 ASP A 24 -2.972 19.667 -2.434 1.00 0.00 O ATOM 303 OD2 ASP A 24 -4.180 18.574 -3.954 1.00 0.00 O ATOM 0 H ASP A 24 -4.044 16.534 0.175 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.379 19.231 -0.279 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.374 17.047 -1.740 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.664 18.230 -1.817 1.00 0.00 H new ATOM 308 N PRO A 25 -5.634 20.583 -0.134 1.00 0.00 N ATOM 309 CA PRO A 25 -6.748 21.399 0.317 1.00 0.00 C ATOM 310 C PRO A 25 -8.054 20.957 -0.345 1.00 0.00 C ATOM 311 O PRO A 25 -9.109 21.537 -0.094 1.00 0.00 O ATOM 312 CB PRO A 25 -6.358 22.826 -0.034 1.00 0.00 C ATOM 313 CG PRO A 25 -5.260 22.712 -1.079 1.00 0.00 C ATOM 314 CD PRO A 25 -4.767 21.274 -1.084 1.00 0.00 C ATOM 0 HA PRO A 25 -6.934 21.303 1.387 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -7.212 23.380 -0.424 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -6.005 23.362 0.847 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -5.639 22.989 -2.063 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -4.442 23.395 -0.849 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -4.839 20.834 -2.079 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -3.721 21.213 -0.783 1.00 0.00 H new ATOM 322 N VAL A 26 -7.941 19.932 -1.178 1.00 0.00 N ATOM 323 CA VAL A 26 -9.101 19.405 -1.877 1.00 0.00 C ATOM 324 C VAL A 26 -9.165 17.889 -1.680 1.00 0.00 C ATOM 325 O VAL A 26 -10.130 17.373 -1.118 1.00 0.00 O ATOM 326 CB VAL A 26 -9.053 19.814 -3.351 1.00 0.00 C ATOM 327 CG1 VAL A 26 -10.158 19.118 -4.149 1.00 0.00 C ATOM 328 CG2 VAL A 26 -9.143 21.334 -3.501 1.00 0.00 C ATOM 0 H VAL A 26 -7.064 19.453 -1.384 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.019 19.825 -1.465 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.094 19.493 -3.757 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.102 19.426 -5.193 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -10.030 18.038 -4.082 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -11.130 19.394 -3.741 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.107 21.598 -4.558 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.080 21.687 -3.071 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.306 21.801 -2.981 1.00 0.00 H new ATOM 338 N THR A 27 -8.124 17.218 -2.152 1.00 0.00 N ATOM 339 CA THR A 27 -8.050 15.772 -2.034 1.00 0.00 C ATOM 340 C THR A 27 -6.869 15.369 -1.150 1.00 0.00 C ATOM 341 O THR A 27 -5.838 14.922 -1.650 1.00 0.00 O ATOM 342 CB THR A 27 -7.980 15.186 -3.446 1.00 0.00 C ATOM 343 OG1 THR A 27 -6.788 15.741 -3.994 1.00 0.00 O ATOM 344 CG2 THR A 27 -9.090 15.716 -4.356 1.00 0.00 C ATOM 0 H THR A 27 -7.325 17.649 -2.617 1.00 0.00 H new ATOM 0 HA THR A 27 -8.936 15.369 -1.542 1.00 0.00 H new ATOM 0 HB THR A 27 -8.044 14.099 -3.391 1.00 0.00 H new ATOM 0 HG1 THR A 27 -6.035 15.556 -3.395 1.00 0.00 H new ATOM 0 HG21 THR A 27 -8.994 15.269 -5.345 1.00 0.00 H new ATOM 0 HG22 THR A 27 -10.061 15.458 -3.934 1.00 0.00 H new ATOM 0 HG23 THR A 27 -9.007 16.800 -4.438 1.00 0.00 H new ATOM 352 N GLY A 28 -7.058 15.542 0.150 1.00 0.00 N ATOM 353 CA GLY A 28 -6.021 15.202 1.109 1.00 0.00 C ATOM 354 C GLY A 28 -5.021 14.212 0.508 1.00 0.00 C ATOM 355 O GLY A 28 -4.034 14.617 -0.104 1.00 0.00 O ATOM 0 H GLY A 28 -7.914 15.913 0.562 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.499 16.107 1.422 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.474 14.770 2.002 1.00 0.00 H new ATOM 359 N PHE A 29 -5.312 12.934 0.703 1.00 0.00 N ATOM 360 CA PHE A 29 -4.450 11.884 0.187 1.00 0.00 C ATOM 361 C PHE A 29 -5.140 11.113 -0.940 1.00 0.00 C ATOM 362 O PHE A 29 -4.479 10.461 -1.746 1.00 0.00 O ATOM 363 CB PHE A 29 -4.170 10.926 1.347 1.00 0.00 C ATOM 364 CG PHE A 29 -3.890 11.626 2.678 1.00 0.00 C ATOM 365 CD1 PHE A 29 -2.752 12.354 2.837 1.00 0.00 C ATOM 366 CD2 PHE A 29 -4.777 11.519 3.703 1.00 0.00 C ATOM 367 CE1 PHE A 29 -2.492 13.004 4.073 1.00 0.00 C ATOM 368 CE2 PHE A 29 -4.517 12.168 4.938 1.00 0.00 C ATOM 369 CZ PHE A 29 -3.380 12.897 5.097 1.00 0.00 C ATOM 0 H PHE A 29 -6.132 12.602 1.211 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.534 12.318 -0.214 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.025 10.262 1.471 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.315 10.301 1.090 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -2.046 12.438 2.024 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -5.680 10.940 3.577 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.589 13.583 4.199 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -5.222 12.083 5.752 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.182 13.391 6.037 1.00 0.00 H new ATOM 379 N GLY A 30 -6.461 11.214 -0.961 1.00 0.00 N ATOM 380 CA GLY A 30 -7.248 10.534 -1.976 1.00 0.00 C ATOM 381 C GLY A 30 -6.864 9.056 -2.069 1.00 0.00 C ATOM 382 O GLY A 30 -6.348 8.609 -3.092 1.00 0.00 O ATOM 0 H GLY A 30 -7.006 11.757 -0.291 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.308 10.624 -1.740 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.095 11.015 -2.942 1.00 0.00 H new ATOM 386 N ILE A 31 -7.129 8.339 -0.987 1.00 0.00 N ATOM 387 CA ILE A 31 -6.818 6.921 -0.934 1.00 0.00 C ATOM 388 C ILE A 31 -7.986 6.170 -0.293 1.00 0.00 C ATOM 389 O ILE A 31 -8.664 6.703 0.584 1.00 0.00 O ATOM 390 CB ILE A 31 -5.479 6.692 -0.230 1.00 0.00 C ATOM 391 CG1 ILE A 31 -4.478 7.795 -0.583 1.00 0.00 C ATOM 392 CG2 ILE A 31 -4.928 5.299 -0.537 1.00 0.00 C ATOM 393 CD1 ILE A 31 -3.205 7.670 0.257 1.00 0.00 C ATOM 0 H ILE A 31 -7.556 8.714 -0.140 1.00 0.00 H new ATOM 0 HA ILE A 31 -6.695 6.520 -1.940 1.00 0.00 H new ATOM 0 HB ILE A 31 -5.647 6.741 0.846 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.226 7.737 -1.642 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.933 8.771 -0.416 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.976 5.163 -0.024 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -5.636 4.544 -0.194 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.779 5.195 -1.612 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.511 8.466 -0.014 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.457 7.753 1.314 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.739 6.703 0.070 1.00 0.00 H new ATOM 405 N GLN A 32 -8.185 4.944 -0.755 1.00 0.00 N ATOM 406 CA GLN A 32 -9.260 4.115 -0.237 1.00 0.00 C ATOM 407 C GLN A 32 -8.752 2.697 0.035 1.00 0.00 C ATOM 408 O GLN A 32 -8.030 2.125 -0.780 1.00 0.00 O ATOM 409 CB GLN A 32 -10.450 4.096 -1.199 1.00 0.00 C ATOM 410 CG GLN A 32 -11.450 5.202 -0.856 1.00 0.00 C ATOM 411 CD GLN A 32 -12.310 4.810 0.348 1.00 0.00 C ATOM 412 OE1 GLN A 32 -11.950 3.965 1.151 1.00 0.00 O ATOM 413 NE2 GLN A 32 -13.462 5.469 0.427 1.00 0.00 N ATOM 0 H GLN A 32 -7.620 4.505 -1.482 1.00 0.00 H new ATOM 0 HA GLN A 32 -9.603 4.544 0.704 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -10.097 4.224 -2.222 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -10.945 3.126 -1.152 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -10.915 6.127 -0.640 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -12.090 5.398 -1.716 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -13.701 6.164 -0.280 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -14.106 5.279 1.194 1.00 0.00 H new ATOM 422 N LEU A 33 -9.150 2.171 1.184 1.00 0.00 N ATOM 423 CA LEU A 33 -8.744 0.832 1.574 1.00 0.00 C ATOM 424 C LEU A 33 -9.869 -0.153 1.247 1.00 0.00 C ATOM 425 O LEU A 33 -11.036 0.231 1.184 1.00 0.00 O ATOM 426 CB LEU A 33 -8.314 0.808 3.042 1.00 0.00 C ATOM 427 CG LEU A 33 -7.180 1.762 3.424 1.00 0.00 C ATOM 428 CD1 LEU A 33 -5.898 1.424 2.661 1.00 0.00 C ATOM 429 CD2 LEU A 33 -7.599 3.220 3.223 1.00 0.00 C ATOM 0 H LEU A 33 -9.749 2.648 1.857 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.869 0.519 1.004 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.182 1.042 3.658 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.008 -0.207 3.294 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.967 1.631 4.485 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.108 2.117 2.951 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.592 0.405 2.898 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.079 1.509 1.590 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.775 3.877 3.502 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.856 3.384 2.176 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.465 3.439 3.848 1.00 0.00 H new ATOM 441 N GLN A 34 -9.478 -1.403 1.048 1.00 0.00 N ATOM 442 CA GLN A 34 -10.439 -2.445 0.729 1.00 0.00 C ATOM 443 C GLN A 34 -10.576 -3.418 1.902 1.00 0.00 C ATOM 444 O GLN A 34 -9.599 -3.707 2.590 1.00 0.00 O ATOM 445 CB GLN A 34 -10.043 -3.183 -0.552 1.00 0.00 C ATOM 446 CG GLN A 34 -8.735 -3.952 -0.360 1.00 0.00 C ATOM 447 CD GLN A 34 -8.849 -5.375 -0.908 1.00 0.00 C ATOM 448 OE1 GLN A 34 -9.045 -5.599 -2.091 1.00 0.00 O ATOM 449 NE2 GLN A 34 -8.717 -6.323 0.016 1.00 0.00 N ATOM 0 H GLN A 34 -8.509 -1.718 1.101 1.00 0.00 H new ATOM 0 HA GLN A 34 -11.408 -1.977 0.555 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -10.836 -3.874 -0.838 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -9.933 -2.469 -1.368 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -7.924 -3.428 -0.865 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -8.481 -3.986 0.700 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -8.554 -6.067 0.990 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -8.778 -7.306 -0.249 1.00 0.00 H new ATOM 620 N PRO A 47 -4.450 -4.991 3.958 1.00 0.00 N ATOM 621 CA PRO A 47 -5.257 -4.069 3.177 1.00 0.00 C ATOM 622 C PRO A 47 -4.556 -3.702 1.867 1.00 0.00 C ATOM 623 O PRO A 47 -3.337 -3.824 1.756 1.00 0.00 O ATOM 624 CB PRO A 47 -5.479 -2.873 4.087 1.00 0.00 C ATOM 625 CG PRO A 47 -4.410 -2.963 5.163 1.00 0.00 C ATOM 626 CD PRO A 47 -3.803 -4.355 5.102 1.00 0.00 C ATOM 0 HA PRO A 47 -6.210 -4.500 2.869 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -5.396 -1.939 3.531 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.477 -2.896 4.525 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -3.643 -2.205 5.004 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -4.842 -2.778 6.147 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -2.722 -4.310 4.971 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -3.990 -4.909 6.022 1.00 0.00 H new ATOM 634 N LEU A 48 -5.356 -3.259 0.909 1.00 0.00 N ATOM 635 CA LEU A 48 -4.828 -2.873 -0.389 1.00 0.00 C ATOM 636 C LEU A 48 -5.551 -1.616 -0.876 1.00 0.00 C ATOM 637 O LEU A 48 -6.769 -1.504 -0.740 1.00 0.00 O ATOM 638 CB LEU A 48 -4.904 -4.045 -1.369 1.00 0.00 C ATOM 639 CG LEU A 48 -4.500 -5.412 -0.812 1.00 0.00 C ATOM 640 CD1 LEU A 48 -5.215 -6.541 -1.558 1.00 0.00 C ATOM 641 CD2 LEU A 48 -2.980 -5.585 -0.832 1.00 0.00 C ATOM 0 H LEU A 48 -6.366 -3.159 1.005 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.770 -2.622 -0.310 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.925 -4.115 -1.743 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.266 -3.820 -2.224 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.816 -5.463 0.230 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.910 -7.502 -1.143 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.293 -6.424 -1.448 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.951 -6.503 -2.615 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.720 -6.565 -0.431 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.618 -5.505 -1.857 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.517 -4.809 -0.222 1.00 0.00 H new ATOM 653 N ILE A 49 -4.771 -0.701 -1.433 1.00 0.00 N ATOM 654 CA ILE A 49 -5.322 0.543 -1.941 1.00 0.00 C ATOM 655 C ILE A 49 -6.475 0.233 -2.898 1.00 0.00 C ATOM 656 O ILE A 49 -6.257 0.023 -4.090 1.00 0.00 O ATOM 657 CB ILE A 49 -4.220 1.402 -2.564 1.00 0.00 C ATOM 658 CG1 ILE A 49 -3.262 1.926 -1.493 1.00 0.00 C ATOM 659 CG2 ILE A 49 -4.816 2.534 -3.403 1.00 0.00 C ATOM 660 CD1 ILE A 49 -2.130 2.741 -2.121 1.00 0.00 C ATOM 0 H ILE A 49 -3.762 -0.797 -1.543 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.735 1.137 -1.126 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.637 0.774 -3.238 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.809 2.545 -0.782 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.845 1.089 -0.932 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -4.011 3.130 -3.835 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.425 2.112 -4.203 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.437 3.168 -2.770 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.463 3.102 -1.338 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.570 2.112 -2.813 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.549 3.590 -2.660 1.00 0.00 H new ATOM 672 N SER A 50 -7.677 0.213 -2.340 1.00 0.00 N ATOM 673 CA SER A 50 -8.864 -0.069 -3.128 1.00 0.00 C ATOM 674 C SER A 50 -8.933 0.881 -4.326 1.00 0.00 C ATOM 675 O SER A 50 -8.963 0.437 -5.473 1.00 0.00 O ATOM 676 CB SER A 50 -10.131 0.054 -2.280 1.00 0.00 C ATOM 677 OG SER A 50 -11.276 -0.464 -2.952 1.00 0.00 O ATOM 0 H SER A 50 -7.854 0.388 -1.351 1.00 0.00 H new ATOM 0 HA SER A 50 -8.800 -1.096 -3.488 1.00 0.00 H new ATOM 0 HB2 SER A 50 -9.991 -0.479 -1.340 1.00 0.00 H new ATOM 0 HB3 SER A 50 -10.300 1.102 -2.031 1.00 0.00 H new ATOM 0 HG SER A 50 -12.064 -0.369 -2.377 1.00 0.00 H new ATOM 683 N TYR A 51 -8.957 2.169 -4.019 1.00 0.00 N ATOM 684 CA TYR A 51 -9.022 3.185 -5.056 1.00 0.00 C ATOM 685 C TYR A 51 -8.102 4.362 -4.730 1.00 0.00 C ATOM 686 O TYR A 51 -7.756 4.581 -3.570 1.00 0.00 O ATOM 687 CB TYR A 51 -10.471 3.675 -5.075 1.00 0.00 C ATOM 688 CG TYR A 51 -10.770 4.693 -6.178 1.00 0.00 C ATOM 689 CD1 TYR A 51 -10.822 4.286 -7.496 1.00 0.00 C ATOM 690 CD2 TYR A 51 -10.986 6.017 -5.856 1.00 0.00 C ATOM 691 CE1 TYR A 51 -11.103 5.243 -8.535 1.00 0.00 C ATOM 692 CE2 TYR A 51 -11.266 6.974 -6.894 1.00 0.00 C ATOM 693 CZ TYR A 51 -11.311 6.540 -8.182 1.00 0.00 C ATOM 694 OH TYR A 51 -11.576 7.445 -9.163 1.00 0.00 O ATOM 0 H TYR A 51 -8.933 2.533 -3.066 1.00 0.00 H new ATOM 0 HA TYR A 51 -8.706 2.775 -6.015 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -11.132 2.817 -5.198 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -10.705 4.122 -4.109 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -10.652 3.250 -7.748 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -10.945 6.335 -4.825 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -11.148 4.938 -9.570 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -11.437 8.013 -6.655 1.00 0.00 H new ATOM 0 HH TYR A 51 -11.704 8.331 -8.765 1.00 0.00 H new ATOM 704 N ILE A 52 -7.731 5.089 -5.773 1.00 0.00 N ATOM 705 CA ILE A 52 -6.857 6.239 -5.612 1.00 0.00 C ATOM 706 C ILE A 52 -7.494 7.457 -6.284 1.00 0.00 C ATOM 707 O ILE A 52 -7.540 7.540 -7.511 1.00 0.00 O ATOM 708 CB ILE A 52 -5.451 5.920 -6.123 1.00 0.00 C ATOM 709 CG1 ILE A 52 -4.870 4.701 -5.403 1.00 0.00 C ATOM 710 CG2 ILE A 52 -4.537 7.141 -6.013 1.00 0.00 C ATOM 711 CD1 ILE A 52 -3.705 4.102 -6.194 1.00 0.00 C ATOM 0 H ILE A 52 -8.020 4.904 -6.734 1.00 0.00 H new ATOM 0 HA ILE A 52 -6.739 6.482 -4.556 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.521 5.666 -7.181 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.529 4.990 -4.409 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.647 3.949 -5.268 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.544 6.887 -6.383 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.947 7.957 -6.607 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.467 7.451 -4.970 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.310 3.237 -5.661 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.055 3.793 -7.179 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.919 4.849 -6.306 1.00 0.00 H new ATOM 723 N GLU A 53 -7.971 8.371 -5.452 1.00 0.00 N ATOM 724 CA GLU A 53 -8.603 9.580 -5.951 1.00 0.00 C ATOM 725 C GLU A 53 -7.704 10.262 -6.984 1.00 0.00 C ATOM 726 O GLU A 53 -6.482 10.132 -6.931 1.00 0.00 O ATOM 727 CB GLU A 53 -8.942 10.535 -4.804 1.00 0.00 C ATOM 728 CG GLU A 53 -10.375 11.057 -4.930 1.00 0.00 C ATOM 729 CD GLU A 53 -10.421 12.577 -4.766 1.00 0.00 C ATOM 730 OE1 GLU A 53 -10.399 13.023 -3.598 1.00 0.00 O ATOM 731 OE2 GLU A 53 -10.477 13.259 -5.812 1.00 0.00 O ATOM 0 H GLU A 53 -7.932 8.298 -4.435 1.00 0.00 H new ATOM 0 HA GLU A 53 -9.538 9.303 -6.438 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -8.821 10.021 -3.850 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -8.245 11.373 -4.805 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -10.783 10.780 -5.902 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -11.005 10.587 -4.175 1.00 0.00 H new ATOM 738 N ALA A 54 -8.344 10.974 -7.900 1.00 0.00 N ATOM 739 CA ALA A 54 -7.617 11.677 -8.944 1.00 0.00 C ATOM 740 C ALA A 54 -7.186 13.049 -8.424 1.00 0.00 C ATOM 741 O ALA A 54 -7.674 13.507 -7.392 1.00 0.00 O ATOM 742 CB ALA A 54 -8.490 11.775 -10.196 1.00 0.00 C ATOM 0 H ALA A 54 -9.358 11.079 -7.941 1.00 0.00 H new ATOM 0 HA ALA A 54 -6.714 11.131 -9.218 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.945 12.302 -10.979 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -8.744 10.773 -10.542 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -9.404 12.320 -9.960 1.00 0.00 H new ATOM 748 N ASP A 55 -6.277 13.668 -9.163 1.00 0.00 N ATOM 749 CA ASP A 55 -5.775 14.980 -8.790 1.00 0.00 C ATOM 750 C ASP A 55 -5.379 14.967 -7.312 1.00 0.00 C ATOM 751 O ASP A 55 -5.463 15.991 -6.635 1.00 0.00 O ATOM 752 CB ASP A 55 -6.846 16.055 -8.983 1.00 0.00 C ATOM 753 CG ASP A 55 -6.313 17.482 -9.122 1.00 0.00 C ATOM 754 OD1 ASP A 55 -6.022 17.869 -10.275 1.00 0.00 O ATOM 755 OD2 ASP A 55 -6.207 18.153 -8.073 1.00 0.00 O ATOM 0 H ASP A 55 -5.875 13.285 -10.019 1.00 0.00 H new ATOM 0 HA ASP A 55 -4.918 15.207 -9.425 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -7.427 15.812 -9.873 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.531 16.020 -8.136 1.00 0.00 H new ATOM 760 N SER A 56 -4.955 13.798 -6.855 1.00 0.00 N ATOM 761 CA SER A 56 -4.546 13.639 -5.470 1.00 0.00 C ATOM 762 C SER A 56 -3.034 13.415 -5.394 1.00 0.00 C ATOM 763 O SER A 56 -2.397 13.106 -6.400 1.00 0.00 O ATOM 764 CB SER A 56 -5.289 12.478 -4.806 1.00 0.00 C ATOM 765 OG SER A 56 -4.554 11.260 -4.884 1.00 0.00 O ATOM 0 H SER A 56 -4.886 12.951 -7.420 1.00 0.00 H new ATOM 0 HA SER A 56 -4.799 14.552 -4.931 1.00 0.00 H new ATOM 0 HB2 SER A 56 -5.480 12.720 -3.760 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.259 12.347 -5.285 1.00 0.00 H new ATOM 0 HG SER A 56 -4.978 10.663 -5.536 1.00 0.00 H new ATOM 771 N PRO A 57 -2.490 13.584 -4.159 1.00 0.00 N ATOM 772 CA PRO A 57 -1.065 13.404 -3.939 1.00 0.00 C ATOM 773 C PRO A 57 -0.694 11.920 -3.937 1.00 0.00 C ATOM 774 O PRO A 57 0.471 11.567 -4.118 1.00 0.00 O ATOM 775 CB PRO A 57 -0.783 14.088 -2.611 1.00 0.00 C ATOM 776 CG PRO A 57 -2.128 14.219 -1.916 1.00 0.00 C ATOM 777 CD PRO A 57 -3.213 13.950 -2.945 1.00 0.00 C ATOM 0 HA PRO A 57 -0.458 13.839 -4.733 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.088 13.502 -2.010 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.326 15.066 -2.764 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.201 13.511 -1.090 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.243 15.217 -1.492 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -3.875 13.147 -2.621 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -3.835 14.831 -3.105 1.00 0.00 H new ATOM 785 N ALA A 58 -1.706 11.090 -3.731 1.00 0.00 N ATOM 786 CA ALA A 58 -1.501 9.652 -3.703 1.00 0.00 C ATOM 787 C ALA A 58 -1.260 9.148 -5.128 1.00 0.00 C ATOM 788 O ALA A 58 -0.627 8.112 -5.325 1.00 0.00 O ATOM 789 CB ALA A 58 -2.704 8.976 -3.042 1.00 0.00 C ATOM 0 H ALA A 58 -2.671 11.386 -3.582 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.621 9.402 -3.111 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.549 7.897 -3.021 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -2.815 9.346 -2.023 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.606 9.202 -3.610 1.00 0.00 H new ATOM 795 N GLU A 59 -1.778 9.904 -6.084 1.00 0.00 N ATOM 796 CA GLU A 59 -1.628 9.547 -7.485 1.00 0.00 C ATOM 797 C GLU A 59 -0.454 10.310 -8.104 1.00 0.00 C ATOM 798 O GLU A 59 0.138 9.856 -9.082 1.00 0.00 O ATOM 799 CB GLU A 59 -2.921 9.809 -8.259 1.00 0.00 C ATOM 800 CG GLU A 59 -2.855 9.195 -9.659 1.00 0.00 C ATOM 801 CD GLU A 59 -3.102 7.686 -9.608 1.00 0.00 C ATOM 802 OE1 GLU A 59 -4.290 7.302 -9.664 1.00 0.00 O ATOM 803 OE2 GLU A 59 -2.096 6.949 -9.513 1.00 0.00 O ATOM 0 H GLU A 59 -2.302 10.763 -5.917 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.416 8.480 -7.547 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.767 9.390 -7.714 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.092 10.883 -8.336 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -3.597 9.667 -10.302 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.878 9.393 -10.101 1.00 0.00 H new ATOM 810 N ARG A 60 -0.153 11.454 -7.508 1.00 0.00 N ATOM 811 CA ARG A 60 0.939 12.283 -7.988 1.00 0.00 C ATOM 812 C ARG A 60 2.264 11.526 -7.888 1.00 0.00 C ATOM 813 O ARG A 60 3.112 11.631 -8.773 1.00 0.00 O ATOM 814 CB ARG A 60 1.039 13.582 -7.185 1.00 0.00 C ATOM 815 CG ARG A 60 0.052 14.627 -7.706 1.00 0.00 C ATOM 816 CD ARG A 60 0.716 16.000 -7.822 1.00 0.00 C ATOM 817 NE ARG A 60 -0.060 17.004 -7.061 1.00 0.00 N ATOM 818 CZ ARG A 60 0.413 18.205 -6.702 1.00 0.00 C ATOM 819 NH1 ARG A 60 1.662 18.560 -7.033 1.00 0.00 N ATOM 820 NH2 ARG A 60 -0.363 19.053 -6.013 1.00 0.00 N ATOM 0 H ARG A 60 -0.647 11.826 -6.697 1.00 0.00 H new ATOM 0 HA ARG A 60 0.735 12.529 -9.030 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.838 13.380 -6.133 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.054 13.974 -7.246 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.328 14.320 -8.680 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.805 14.689 -7.035 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.736 15.953 -7.442 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.779 16.295 -8.869 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.015 16.767 -6.793 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.253 17.916 -7.558 1.00 0.00 H new ATOM 0 HH12 ARG A 60 2.022 19.474 -6.760 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -1.314 18.784 -5.762 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -0.002 19.967 -5.740 1.00 0.00 H new ATOM 834 N CYS A 61 2.402 10.780 -6.802 1.00 0.00 N ATOM 835 CA CYS A 61 3.610 10.005 -6.574 1.00 0.00 C ATOM 836 C CYS A 61 3.799 9.052 -7.756 1.00 0.00 C ATOM 837 O CYS A 61 4.911 8.891 -8.257 1.00 0.00 O ATOM 838 CB CYS A 61 3.560 9.257 -5.241 1.00 0.00 C ATOM 839 SG CYS A 61 5.116 9.522 -4.315 1.00 0.00 S ATOM 0 H CYS A 61 1.697 10.696 -6.070 1.00 0.00 H new ATOM 0 HA CYS A 61 4.467 10.675 -6.507 1.00 0.00 H new ATOM 0 HB2 CYS A 61 2.712 9.605 -4.651 1.00 0.00 H new ATOM 0 HB3 CYS A 61 3.409 8.192 -5.418 1.00 0.00 H new ATOM 0 HG CYS A 61 5.062 8.884 -3.184 1.00 0.00 H new ATOM 845 N GLY A 62 2.696 8.445 -8.168 1.00 0.00 N ATOM 846 CA GLY A 62 2.727 7.512 -9.282 1.00 0.00 C ATOM 847 C GLY A 62 3.307 6.163 -8.852 1.00 0.00 C ATOM 848 O GLY A 62 3.522 5.282 -9.683 1.00 0.00 O ATOM 0 H GLY A 62 1.775 8.581 -7.751 1.00 0.00 H new ATOM 0 HA2 GLY A 62 1.719 7.371 -9.671 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.326 7.928 -10.092 1.00 0.00 H new ATOM 852 N VAL A 63 3.545 6.045 -7.554 1.00 0.00 N ATOM 853 CA VAL A 63 4.097 4.818 -7.004 1.00 0.00 C ATOM 854 C VAL A 63 2.979 4.017 -6.333 1.00 0.00 C ATOM 855 O VAL A 63 3.140 2.828 -6.063 1.00 0.00 O ATOM 856 CB VAL A 63 5.252 5.144 -6.054 1.00 0.00 C ATOM 857 CG1 VAL A 63 6.368 5.893 -6.785 1.00 0.00 C ATOM 858 CG2 VAL A 63 4.759 5.940 -4.844 1.00 0.00 C ATOM 0 H VAL A 63 3.366 6.778 -6.868 1.00 0.00 H new ATOM 0 HA VAL A 63 4.512 4.196 -7.797 1.00 0.00 H new ATOM 0 HB VAL A 63 5.663 4.202 -5.690 1.00 0.00 H new ATOM 0 HG11 VAL A 63 7.176 6.113 -6.087 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.748 5.275 -7.599 1.00 0.00 H new ATOM 0 HG13 VAL A 63 5.975 6.825 -7.190 1.00 0.00 H new ATOM 0 HG21 VAL A 63 5.599 6.158 -4.185 1.00 0.00 H new ATOM 0 HG22 VAL A 63 4.310 6.874 -5.181 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.016 5.355 -4.302 1.00 0.00 H new ATOM 868 N LEU A 64 1.872 4.701 -6.084 1.00 0.00 N ATOM 869 CA LEU A 64 0.728 4.068 -5.451 1.00 0.00 C ATOM 870 C LEU A 64 -0.190 3.488 -6.528 1.00 0.00 C ATOM 871 O LEU A 64 -0.909 4.227 -7.199 1.00 0.00 O ATOM 872 CB LEU A 64 0.028 5.048 -4.508 1.00 0.00 C ATOM 873 CG LEU A 64 0.869 5.577 -3.345 1.00 0.00 C ATOM 874 CD1 LEU A 64 0.259 6.854 -2.763 1.00 0.00 C ATOM 875 CD2 LEU A 64 1.069 4.500 -2.277 1.00 0.00 C ATOM 0 H LEU A 64 1.743 5.687 -6.309 1.00 0.00 H new ATOM 0 HA LEU A 64 1.051 3.235 -4.826 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.321 5.898 -5.094 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.856 4.559 -4.098 1.00 0.00 H new ATOM 0 HG LEU A 64 1.856 5.837 -3.729 1.00 0.00 H new ATOM 0 HD11 LEU A 64 0.876 7.209 -1.938 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.212 7.620 -3.537 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.747 6.644 -2.399 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.670 4.903 -1.462 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.099 4.185 -1.891 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.580 3.643 -2.716 1.00 0.00 H new ATOM 887 N GLN A 65 -0.136 2.171 -6.661 1.00 0.00 N ATOM 888 CA GLN A 65 -0.955 1.484 -7.645 1.00 0.00 C ATOM 889 C GLN A 65 -2.184 0.866 -6.976 1.00 0.00 C ATOM 890 O GLN A 65 -2.129 0.470 -5.813 1.00 0.00 O ATOM 891 CB GLN A 65 -0.142 0.420 -8.387 1.00 0.00 C ATOM 892 CG GLN A 65 -0.989 -0.265 -9.462 1.00 0.00 C ATOM 893 CD GLN A 65 -1.244 0.676 -10.641 1.00 0.00 C ATOM 894 OE1 GLN A 65 -1.147 1.887 -10.535 1.00 0.00 O ATOM 895 NE2 GLN A 65 -1.574 0.052 -11.769 1.00 0.00 N ATOM 0 H GLN A 65 0.462 1.561 -6.104 1.00 0.00 H new ATOM 0 HA GLN A 65 -1.295 2.214 -8.380 1.00 0.00 H new ATOM 0 HB2 GLN A 65 0.733 0.880 -8.846 1.00 0.00 H new ATOM 0 HB3 GLN A 65 0.224 -0.323 -7.679 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -0.481 -1.164 -9.812 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -1.940 -0.583 -9.033 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -1.637 -0.966 -11.789 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.763 0.592 -12.614 1.00 0.00 H new ATOM 904 N ILE A 66 -3.265 0.804 -7.740 1.00 0.00 N ATOM 905 CA ILE A 66 -4.507 0.242 -7.235 1.00 0.00 C ATOM 906 C ILE A 66 -4.265 -1.203 -6.794 1.00 0.00 C ATOM 907 O ILE A 66 -3.990 -2.071 -7.621 1.00 0.00 O ATOM 908 CB ILE A 66 -5.622 0.390 -8.272 1.00 0.00 C ATOM 909 CG1 ILE A 66 -5.926 1.864 -8.544 1.00 0.00 C ATOM 910 CG2 ILE A 66 -6.872 -0.384 -7.847 1.00 0.00 C ATOM 911 CD1 ILE A 66 -7.004 2.387 -7.592 1.00 0.00 C ATOM 0 H ILE A 66 -3.307 1.133 -8.704 1.00 0.00 H new ATOM 0 HA ILE A 66 -4.845 0.792 -6.357 1.00 0.00 H new ATOM 0 HB ILE A 66 -5.276 -0.046 -9.210 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.017 2.454 -8.428 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -6.256 1.986 -9.575 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.649 -0.262 -8.601 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.628 -1.441 -7.745 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -7.230 -0.000 -6.892 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -7.201 3.437 -7.807 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -7.919 1.811 -7.727 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -6.661 2.286 -6.563 1.00 0.00 H new ATOM 923 N GLY A 67 -4.376 -1.416 -5.491 1.00 0.00 N ATOM 924 CA GLY A 67 -4.172 -2.740 -4.929 1.00 0.00 C ATOM 925 C GLY A 67 -2.798 -2.850 -4.266 1.00 0.00 C ATOM 926 O GLY A 67 -2.236 -3.939 -4.171 1.00 0.00 O ATOM 0 H GLY A 67 -4.605 -0.694 -4.808 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.951 -2.952 -4.196 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.261 -3.490 -5.715 1.00 0.00 H new ATOM 930 N ASP A 68 -2.297 -1.706 -3.823 1.00 0.00 N ATOM 931 CA ASP A 68 -1.000 -1.659 -3.171 1.00 0.00 C ATOM 932 C ASP A 68 -0.976 -2.666 -2.020 1.00 0.00 C ATOM 933 O ASP A 68 -1.915 -3.443 -1.850 1.00 0.00 O ATOM 934 CB ASP A 68 -0.724 -0.271 -2.591 1.00 0.00 C ATOM 935 CG ASP A 68 0.116 0.648 -3.481 1.00 0.00 C ATOM 936 OD1 ASP A 68 0.082 0.431 -4.711 1.00 0.00 O ATOM 937 OD2 ASP A 68 0.772 1.545 -2.910 1.00 0.00 O ATOM 0 H ASP A 68 -2.767 -0.804 -3.903 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.240 -1.895 -3.916 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.677 0.217 -2.388 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -0.216 -0.388 -1.634 1.00 0.00 H new ATOM 942 N ARG A 69 0.108 -2.621 -1.259 1.00 0.00 N ATOM 943 CA ARG A 69 0.266 -3.520 -0.129 1.00 0.00 C ATOM 944 C ARG A 69 0.552 -2.724 1.147 1.00 0.00 C ATOM 945 O ARG A 69 1.603 -2.889 1.763 1.00 0.00 O ATOM 946 CB ARG A 69 1.407 -4.511 -0.369 1.00 0.00 C ATOM 947 CG ARG A 69 1.312 -5.128 -1.766 1.00 0.00 C ATOM 948 CD ARG A 69 1.643 -4.095 -2.845 1.00 0.00 C ATOM 949 NE ARG A 69 2.639 -4.651 -3.788 1.00 0.00 N ATOM 950 CZ ARG A 69 3.474 -3.905 -4.524 1.00 0.00 C ATOM 951 NH1 ARG A 69 3.439 -2.569 -4.430 1.00 0.00 N ATOM 952 NH2 ARG A 69 4.345 -4.496 -5.354 1.00 0.00 N ATOM 0 H ARG A 69 0.885 -1.976 -1.403 1.00 0.00 H new ATOM 0 HA ARG A 69 -0.665 -4.075 -0.015 1.00 0.00 H new ATOM 0 HB2 ARG A 69 2.365 -4.003 -0.256 1.00 0.00 H new ATOM 0 HB3 ARG A 69 1.374 -5.299 0.384 1.00 0.00 H new ATOM 0 HG2 ARG A 69 1.998 -5.972 -1.842 1.00 0.00 H new ATOM 0 HG3 ARG A 69 0.307 -5.519 -1.927 1.00 0.00 H new ATOM 0 HD2 ARG A 69 0.737 -3.815 -3.383 1.00 0.00 H new ATOM 0 HD3 ARG A 69 2.033 -3.187 -2.384 1.00 0.00 H new ATOM 0 HE ARG A 69 2.693 -5.665 -3.884 1.00 0.00 H new ATOM 0 HH11 ARG A 69 2.777 -2.119 -3.798 1.00 0.00 H new ATOM 0 HH12 ARG A 69 4.075 -2.001 -4.990 1.00 0.00 H new ATOM 0 HH21 ARG A 69 4.372 -5.513 -5.425 1.00 0.00 H new ATOM 0 HH22 ARG A 69 4.981 -3.929 -5.914 1.00 0.00 H new ATOM 966 N VAL A 70 -0.403 -1.878 1.504 1.00 0.00 N ATOM 967 CA VAL A 70 -0.267 -1.057 2.695 1.00 0.00 C ATOM 968 C VAL A 70 -0.085 -1.961 3.916 1.00 0.00 C ATOM 969 O VAL A 70 -1.058 -2.322 4.576 1.00 0.00 O ATOM 970 CB VAL A 70 -1.468 -0.117 2.822 1.00 0.00 C ATOM 971 CG1 VAL A 70 -2.776 -0.906 2.910 1.00 0.00 C ATOM 972 CG2 VAL A 70 -1.309 0.817 4.023 1.00 0.00 C ATOM 0 H VAL A 70 -1.274 -1.743 0.990 1.00 0.00 H new ATOM 0 HA VAL A 70 0.618 -0.425 2.624 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.508 0.498 1.923 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.613 -0.214 3.000 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.898 -1.509 2.010 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.749 -1.558 3.783 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.176 1.474 4.090 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.230 0.226 4.936 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.407 1.417 3.900 1.00 0.00 H new ATOM 982 N MET A 71 1.168 -2.301 4.178 1.00 0.00 N ATOM 983 CA MET A 71 1.491 -3.156 5.308 1.00 0.00 C ATOM 984 C MET A 71 1.178 -2.457 6.632 1.00 0.00 C ATOM 985 O MET A 71 0.779 -3.102 7.600 1.00 0.00 O ATOM 986 CB MET A 71 2.975 -3.524 5.262 1.00 0.00 C ATOM 987 CG MET A 71 3.361 -4.081 3.890 1.00 0.00 C ATOM 988 SD MET A 71 2.244 -5.394 3.429 1.00 0.00 S ATOM 989 CE MET A 71 3.089 -6.789 4.154 1.00 0.00 C ATOM 0 H MET A 71 1.972 -2.000 3.627 1.00 0.00 H new ATOM 0 HA MET A 71 0.882 -4.058 5.243 1.00 0.00 H new ATOM 0 HB2 MET A 71 3.578 -2.644 5.484 1.00 0.00 H new ATOM 0 HB3 MET A 71 3.194 -4.263 6.033 1.00 0.00 H new ATOM 0 HG2 MET A 71 3.330 -3.287 3.144 1.00 0.00 H new ATOM 0 HG3 MET A 71 4.385 -4.455 3.915 1.00 0.00 H new ATOM 0 HE1 MET A 71 2.522 -7.699 3.959 1.00 0.00 H new ATOM 0 HE2 MET A 71 4.083 -6.880 3.717 1.00 0.00 H new ATOM 0 HE3 MET A 71 3.178 -6.641 5.230 1.00 0.00 H new ATOM 999 N ALA A 72 1.371 -1.146 6.632 1.00 0.00 N ATOM 1000 CA ALA A 72 1.114 -0.352 7.821 1.00 0.00 C ATOM 1001 C ALA A 72 0.637 1.041 7.406 1.00 0.00 C ATOM 1002 O ALA A 72 0.520 1.332 6.217 1.00 0.00 O ATOM 1003 CB ALA A 72 2.377 -0.302 8.684 1.00 0.00 C ATOM 0 H ALA A 72 1.702 -0.614 5.827 1.00 0.00 H new ATOM 0 HA ALA A 72 0.325 -0.805 8.422 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.185 0.294 9.576 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.658 -1.314 8.977 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.189 0.150 8.114 1.00 0.00 H new ATOM 1009 N ILE A 73 0.374 1.865 8.410 1.00 0.00 N ATOM 1010 CA ILE A 73 -0.088 3.221 8.164 1.00 0.00 C ATOM 1011 C ILE A 73 0.408 4.136 9.286 1.00 0.00 C ATOM 1012 O ILE A 73 -0.145 4.131 10.385 1.00 0.00 O ATOM 1013 CB ILE A 73 -1.606 3.244 7.977 1.00 0.00 C ATOM 1014 CG1 ILE A 73 -2.023 2.402 6.769 1.00 0.00 C ATOM 1015 CG2 ILE A 73 -2.126 4.680 7.882 1.00 0.00 C ATOM 1016 CD1 ILE A 73 -3.544 2.401 6.600 1.00 0.00 C ATOM 0 H ILE A 73 0.472 1.620 9.395 1.00 0.00 H new ATOM 0 HA ILE A 73 0.330 3.603 7.233 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.065 2.794 8.857 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.554 2.796 5.867 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.667 1.379 6.893 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.208 4.667 7.749 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.879 5.218 8.797 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.662 5.179 7.031 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -3.814 1.796 5.735 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.009 1.984 7.493 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -3.894 3.422 6.451 1.00 0.00 H new ATOM 1028 N ASN A 74 1.444 4.898 8.969 1.00 0.00 N ATOM 1029 CA ASN A 74 2.020 5.817 9.937 1.00 0.00 C ATOM 1030 C ASN A 74 2.829 5.024 10.966 1.00 0.00 C ATOM 1031 O ASN A 74 3.237 5.568 11.992 1.00 0.00 O ATOM 1032 CB ASN A 74 0.928 6.586 10.684 1.00 0.00 C ATOM 1033 CG ASN A 74 1.143 8.096 10.565 1.00 0.00 C ATOM 1034 OD1 ASN A 74 0.379 8.680 9.646 1.00 0.00 O flip ATOM 1035 ND2 ASN A 74 1.948 8.691 11.261 1.00 0.00 N flip ATOM 0 H ASN A 74 1.900 4.898 8.056 1.00 0.00 H new ATOM 0 HA ASN A 74 2.653 6.522 9.398 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -0.049 6.321 10.281 1.00 0.00 H new ATOM 0 HB3 ASN A 74 0.928 6.297 11.735 1.00 0.00 H new ATOM 0 HD21 ASN A 74 2.503 8.181 11.948 1.00 0.00 H new ATOM 0 HD22 ASN A 74 2.066 9.699 11.156 1.00 0.00 H new ATOM 1042 N GLY A 75 3.036 3.753 10.657 1.00 0.00 N ATOM 1043 CA GLY A 75 3.789 2.881 11.542 1.00 0.00 C ATOM 1044 C GLY A 75 2.867 1.876 12.236 1.00 0.00 C ATOM 1045 O GLY A 75 3.337 0.937 12.877 1.00 0.00 O ATOM 0 H GLY A 75 2.695 3.306 9.806 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.550 2.348 10.972 1.00 0.00 H new ATOM 0 HA3 GLY A 75 4.310 3.478 12.290 1.00 0.00 H new ATOM 1049 N ILE A 76 1.571 2.107 12.084 1.00 0.00 N ATOM 1050 CA ILE A 76 0.580 1.233 12.688 1.00 0.00 C ATOM 1051 C ILE A 76 0.427 -0.026 11.832 1.00 0.00 C ATOM 1052 O ILE A 76 0.295 0.061 10.612 1.00 0.00 O ATOM 1053 CB ILE A 76 -0.733 1.987 12.912 1.00 0.00 C ATOM 1054 CG1 ILE A 76 -0.620 2.942 14.103 1.00 0.00 C ATOM 1055 CG2 ILE A 76 -1.904 1.015 13.066 1.00 0.00 C ATOM 1056 CD1 ILE A 76 -0.502 2.167 15.417 1.00 0.00 C ATOM 0 H ILE A 76 1.185 2.887 11.552 1.00 0.00 H new ATOM 0 HA ILE A 76 0.909 0.910 13.676 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.933 2.595 12.029 1.00 0.00 H new ATOM 0 HG12 ILE A 76 0.251 3.585 13.977 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.494 3.592 14.137 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.825 1.577 13.224 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -1.997 0.412 12.163 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -1.726 0.363 13.921 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.423 2.869 16.247 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -1.385 1.543 15.552 1.00 0.00 H new ATOM 0 HD13 ILE A 76 0.387 1.537 15.389 1.00 0.00 H new ATOM 1068 N PRO A 77 0.449 -1.197 12.523 1.00 0.00 N ATOM 1069 CA PRO A 77 0.315 -2.472 11.840 1.00 0.00 C ATOM 1070 C PRO A 77 -1.133 -2.714 11.410 1.00 0.00 C ATOM 1071 O PRO A 77 -1.968 -3.108 12.223 1.00 0.00 O ATOM 1072 CB PRO A 77 0.820 -3.506 12.833 1.00 0.00 C ATOM 1073 CG PRO A 77 0.782 -2.830 14.194 1.00 0.00 C ATOM 1074 CD PRO A 77 0.603 -1.337 13.968 1.00 0.00 C ATOM 0 HA PRO A 77 0.889 -2.515 10.914 1.00 0.00 H new ATOM 0 HB2 PRO A 77 0.193 -4.397 12.822 1.00 0.00 H new ATOM 0 HB3 PRO A 77 1.832 -3.825 12.584 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -0.037 -3.226 14.794 1.00 0.00 H new ATOM 0 HG3 PRO A 77 1.703 -3.025 14.743 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.271 -0.958 14.498 1.00 0.00 H new ATOM 0 HD3 PRO A 77 1.464 -0.775 14.331 1.00 0.00 H new ATOM 1082 N THR A 78 -1.387 -2.467 10.133 1.00 0.00 N ATOM 1083 CA THR A 78 -2.720 -2.653 9.586 1.00 0.00 C ATOM 1084 C THR A 78 -3.143 -4.119 9.698 1.00 0.00 C ATOM 1085 O THR A 78 -3.078 -4.864 8.721 1.00 0.00 O ATOM 1086 CB THR A 78 -2.719 -2.129 8.149 1.00 0.00 C ATOM 1087 OG1 THR A 78 -1.842 -3.014 7.457 1.00 0.00 O ATOM 1088 CG2 THR A 78 -2.042 -0.762 8.024 1.00 0.00 C ATOM 0 H THR A 78 -0.692 -2.140 9.462 1.00 0.00 H new ATOM 0 HA THR A 78 -3.462 -2.089 10.152 1.00 0.00 H new ATOM 0 HB THR A 78 -3.745 -2.061 7.788 1.00 0.00 H new ATOM 0 HG1 THR A 78 -2.222 -3.917 7.456 1.00 0.00 H new ATOM 0 HG21 THR A 78 -2.069 -0.436 6.984 1.00 0.00 H new ATOM 0 HG22 THR A 78 -2.569 -0.037 8.645 1.00 0.00 H new ATOM 0 HG23 THR A 78 -1.006 -0.838 8.354 1.00 0.00 H new ATOM 1096 N GLU A 79 -3.567 -4.490 10.897 1.00 0.00 N ATOM 1097 CA GLU A 79 -4.000 -5.854 11.149 1.00 0.00 C ATOM 1098 C GLU A 79 -4.614 -5.966 12.546 1.00 0.00 C ATOM 1099 O GLU A 79 -5.578 -6.704 12.747 1.00 0.00 O ATOM 1100 CB GLU A 79 -2.841 -6.838 10.979 1.00 0.00 C ATOM 1101 CG GLU A 79 -3.356 -8.242 10.656 1.00 0.00 C ATOM 1102 CD GLU A 79 -2.340 -9.020 9.818 1.00 0.00 C ATOM 1103 OE1 GLU A 79 -1.390 -9.555 10.430 1.00 0.00 O ATOM 1104 OE2 GLU A 79 -2.535 -9.062 8.584 1.00 0.00 O ATOM 0 H GLU A 79 -3.620 -3.870 11.705 1.00 0.00 H new ATOM 0 HA GLU A 79 -4.764 -6.113 10.416 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -2.183 -6.496 10.180 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -2.246 -6.866 11.892 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -3.558 -8.781 11.582 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -4.300 -8.171 10.116 1.00 0.00 H new ATOM 1111 N ASP A 80 -4.031 -5.224 13.475 1.00 0.00 N ATOM 1112 CA ASP A 80 -4.508 -5.231 14.847 1.00 0.00 C ATOM 1113 C ASP A 80 -5.617 -4.187 15.002 1.00 0.00 C ATOM 1114 O ASP A 80 -5.660 -3.465 15.997 1.00 0.00 O ATOM 1115 CB ASP A 80 -3.385 -4.875 15.823 1.00 0.00 C ATOM 1116 CG ASP A 80 -3.315 -5.751 17.076 1.00 0.00 C ATOM 1117 OD1 ASP A 80 -3.577 -6.965 16.935 1.00 0.00 O ATOM 1118 OD2 ASP A 80 -3.002 -5.187 18.146 1.00 0.00 O ATOM 0 H ASP A 80 -3.232 -4.613 13.305 1.00 0.00 H new ATOM 0 HA ASP A 80 -4.876 -6.232 15.071 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -2.432 -4.942 15.297 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -3.507 -3.836 16.130 1.00 0.00 H new ATOM 1123 N SER A 81 -6.486 -4.142 14.004 1.00 0.00 N ATOM 1124 CA SER A 81 -7.592 -3.199 14.017 1.00 0.00 C ATOM 1125 C SER A 81 -8.644 -3.613 12.986 1.00 0.00 C ATOM 1126 O SER A 81 -8.563 -4.697 12.412 1.00 0.00 O ATOM 1127 CB SER A 81 -7.105 -1.776 13.736 1.00 0.00 C ATOM 1128 OG SER A 81 -5.783 -1.758 13.205 1.00 0.00 O ATOM 0 H SER A 81 -6.447 -4.743 13.181 1.00 0.00 H new ATOM 0 HA SER A 81 -8.041 -3.211 15.010 1.00 0.00 H new ATOM 0 HB2 SER A 81 -7.784 -1.293 13.034 1.00 0.00 H new ATOM 0 HB3 SER A 81 -7.133 -1.195 14.658 1.00 0.00 H new ATOM 0 HG SER A 81 -5.468 -0.832 13.143 1.00 0.00 H new ATOM 1134 N THR A 82 -9.609 -2.727 12.784 1.00 0.00 N ATOM 1135 CA THR A 82 -10.676 -2.986 11.833 1.00 0.00 C ATOM 1136 C THR A 82 -10.419 -2.235 10.525 1.00 0.00 C ATOM 1137 O THR A 82 -9.746 -1.206 10.518 1.00 0.00 O ATOM 1138 CB THR A 82 -12.003 -2.613 12.498 1.00 0.00 C ATOM 1139 OG1 THR A 82 -12.037 -1.190 12.431 1.00 0.00 O ATOM 1140 CG2 THR A 82 -12.011 -2.916 13.998 1.00 0.00 C ATOM 0 H THR A 82 -9.674 -1.829 13.263 1.00 0.00 H new ATOM 0 HA THR A 82 -10.717 -4.041 11.562 1.00 0.00 H new ATOM 0 HB THR A 82 -12.816 -3.154 12.014 1.00 0.00 H new ATOM 0 HG1 THR A 82 -12.866 -0.863 12.839 1.00 0.00 H new ATOM 0 HG21 THR A 82 -12.975 -2.633 14.421 1.00 0.00 H new ATOM 0 HG22 THR A 82 -11.845 -3.982 14.155 1.00 0.00 H new ATOM 0 HG23 THR A 82 -11.219 -2.349 14.488 1.00 0.00 H new ATOM 1148 N PHE A 83 -10.970 -2.779 9.450 1.00 0.00 N ATOM 1149 CA PHE A 83 -10.809 -2.173 8.139 1.00 0.00 C ATOM 1150 C PHE A 83 -11.104 -0.672 8.189 1.00 0.00 C ATOM 1151 O PHE A 83 -10.498 0.108 7.456 1.00 0.00 O ATOM 1152 CB PHE A 83 -11.818 -2.848 7.207 1.00 0.00 C ATOM 1153 CG PHE A 83 -12.339 -1.940 6.091 1.00 0.00 C ATOM 1154 CD1 PHE A 83 -11.677 -1.874 4.905 1.00 0.00 C ATOM 1155 CD2 PHE A 83 -13.462 -1.199 6.285 1.00 0.00 C ATOM 1156 CE1 PHE A 83 -12.160 -1.031 3.869 1.00 0.00 C ATOM 1157 CE2 PHE A 83 -13.945 -0.356 5.249 1.00 0.00 C ATOM 1158 CZ PHE A 83 -13.284 -0.290 4.063 1.00 0.00 C ATOM 0 H PHE A 83 -11.528 -3.633 9.460 1.00 0.00 H new ATOM 0 HA PHE A 83 -9.784 -2.304 7.792 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -11.353 -3.726 6.759 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -12.663 -3.201 7.798 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -10.784 -2.462 4.751 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -13.987 -1.251 7.227 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -11.635 -0.978 2.927 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -14.837 0.233 5.403 1.00 0.00 H new ATOM 0 HZ PHE A 83 -13.651 0.351 3.275 1.00 0.00 H new ATOM 1168 N GLU A 84 -12.035 -0.313 9.061 1.00 0.00 N ATOM 1169 CA GLU A 84 -12.417 1.080 9.216 1.00 0.00 C ATOM 1170 C GLU A 84 -11.263 1.884 9.819 1.00 0.00 C ATOM 1171 O GLU A 84 -11.009 3.016 9.409 1.00 0.00 O ATOM 1172 CB GLU A 84 -13.680 1.211 10.069 1.00 0.00 C ATOM 1173 CG GLU A 84 -14.929 0.862 9.257 1.00 0.00 C ATOM 1174 CD GLU A 84 -15.448 2.085 8.499 1.00 0.00 C ATOM 1175 OE1 GLU A 84 -14.718 2.545 7.595 1.00 0.00 O ATOM 1176 OE2 GLU A 84 -16.565 2.533 8.840 1.00 0.00 O ATOM 0 H GLU A 84 -12.536 -0.963 9.667 1.00 0.00 H new ATOM 0 HA GLU A 84 -12.640 1.486 8.229 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -13.609 0.552 10.934 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -13.762 2.229 10.450 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -14.698 0.064 8.552 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -15.706 0.485 9.922 1.00 0.00 H new ATOM 1183 N GLU A 85 -10.594 1.267 10.782 1.00 0.00 N ATOM 1184 CA GLU A 85 -9.472 1.910 11.445 1.00 0.00 C ATOM 1185 C GLU A 85 -8.577 2.606 10.418 1.00 0.00 C ATOM 1186 O GLU A 85 -8.420 3.826 10.452 1.00 0.00 O ATOM 1187 CB GLU A 85 -8.674 0.902 12.274 1.00 0.00 C ATOM 1188 CG GLU A 85 -8.455 1.416 13.699 1.00 0.00 C ATOM 1189 CD GLU A 85 -7.079 2.068 13.841 1.00 0.00 C ATOM 1190 OE1 GLU A 85 -6.089 1.388 13.494 1.00 0.00 O ATOM 1191 OE2 GLU A 85 -7.047 3.234 14.293 1.00 0.00 O ATOM 0 H GLU A 85 -10.807 0.328 11.119 1.00 0.00 H new ATOM 0 HA GLU A 85 -9.862 2.664 12.128 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -9.204 -0.050 12.304 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -7.711 0.716 11.799 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -9.231 2.138 13.952 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -8.545 0.590 14.405 1.00 0.00 H new ATOM 1198 N ALA A 86 -8.013 1.801 9.530 1.00 0.00 N ATOM 1199 CA ALA A 86 -7.137 2.324 8.495 1.00 0.00 C ATOM 1200 C ALA A 86 -7.742 3.608 7.922 1.00 0.00 C ATOM 1201 O ALA A 86 -7.139 4.676 8.011 1.00 0.00 O ATOM 1202 CB ALA A 86 -6.916 1.255 7.424 1.00 0.00 C ATOM 0 H ALA A 86 -8.145 0.790 9.506 1.00 0.00 H new ATOM 0 HA ALA A 86 -6.161 2.576 8.910 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.259 1.648 6.648 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.458 0.376 7.877 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -7.874 0.979 6.983 1.00 0.00 H new ATOM 1208 N ASN A 87 -8.926 3.460 7.346 1.00 0.00 N ATOM 1209 CA ASN A 87 -9.620 4.594 6.759 1.00 0.00 C ATOM 1210 C ASN A 87 -9.574 5.774 7.732 1.00 0.00 C ATOM 1211 O ASN A 87 -9.457 6.924 7.312 1.00 0.00 O ATOM 1212 CB ASN A 87 -11.088 4.261 6.488 1.00 0.00 C ATOM 1213 CG ASN A 87 -11.662 5.164 5.394 1.00 0.00 C ATOM 1214 OD1 ASN A 87 -11.407 6.356 5.339 1.00 0.00 O ATOM 1215 ND2 ASN A 87 -12.449 4.531 4.528 1.00 0.00 N ATOM 0 H ASN A 87 -9.422 2.572 7.273 1.00 0.00 H new ATOM 0 HA ASN A 87 -9.127 4.841 5.819 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -11.178 3.217 6.188 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -11.667 4.380 7.404 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -12.880 5.046 3.760 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -12.621 3.531 4.632 1.00 0.00 H new ATOM 1222 N GLN A 88 -9.667 5.448 9.012 1.00 0.00 N ATOM 1223 CA GLN A 88 -9.638 6.467 10.048 1.00 0.00 C ATOM 1224 C GLN A 88 -8.227 7.044 10.185 1.00 0.00 C ATOM 1225 O GLN A 88 -8.062 8.236 10.436 1.00 0.00 O ATOM 1226 CB GLN A 88 -10.133 5.906 11.383 1.00 0.00 C ATOM 1227 CG GLN A 88 -11.416 6.611 11.831 1.00 0.00 C ATOM 1228 CD GLN A 88 -12.652 5.797 11.443 1.00 0.00 C ATOM 1229 OE1 GLN A 88 -13.409 5.333 12.280 1.00 0.00 O ATOM 1230 NE2 GLN A 88 -12.814 5.651 10.131 1.00 0.00 N ATOM 0 H GLN A 88 -9.763 4.493 9.356 1.00 0.00 H new ATOM 0 HA GLN A 88 -10.313 7.272 9.758 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -10.316 4.836 11.287 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -9.361 6.030 12.143 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -11.397 6.758 12.911 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -11.470 7.600 11.376 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -12.142 6.066 9.485 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -13.610 5.124 9.771 1.00 0.00 H new ATOM 1239 N LEU A 89 -7.246 6.170 10.014 1.00 0.00 N ATOM 1240 CA LEU A 89 -5.855 6.577 10.116 1.00 0.00 C ATOM 1241 C LEU A 89 -5.577 7.686 9.099 1.00 0.00 C ATOM 1242 O LEU A 89 -4.623 8.447 9.250 1.00 0.00 O ATOM 1243 CB LEU A 89 -4.930 5.367 9.975 1.00 0.00 C ATOM 1244 CG LEU A 89 -5.127 4.249 11.000 1.00 0.00 C ATOM 1245 CD1 LEU A 89 -3.917 3.314 11.032 1.00 0.00 C ATOM 1246 CD2 LEU A 89 -5.445 4.822 12.383 1.00 0.00 C ATOM 0 H LEU A 89 -7.387 5.182 9.805 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.651 6.991 11.104 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.064 4.947 8.978 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.899 5.714 10.039 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.986 3.653 10.693 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.084 2.528 11.769 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.778 2.865 10.048 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -3.026 3.881 11.301 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -5.580 4.006 13.093 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.622 5.456 12.712 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.360 5.413 12.331 1.00 0.00 H new ATOM 1258 N LEU A 90 -6.428 7.741 8.084 1.00 0.00 N ATOM 1259 CA LEU A 90 -6.286 8.743 7.042 1.00 0.00 C ATOM 1260 C LEU A 90 -6.880 10.066 7.529 1.00 0.00 C ATOM 1261 O LEU A 90 -6.228 11.107 7.458 1.00 0.00 O ATOM 1262 CB LEU A 90 -6.893 8.242 5.730 1.00 0.00 C ATOM 1263 CG LEU A 90 -6.147 7.099 5.040 1.00 0.00 C ATOM 1264 CD1 LEU A 90 -6.614 6.935 3.592 1.00 0.00 C ATOM 1265 CD2 LEU A 90 -4.633 7.295 5.135 1.00 0.00 C ATOM 0 H LEU A 90 -7.218 7.108 7.962 1.00 0.00 H new ATOM 0 HA LEU A 90 -5.233 8.925 6.829 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -7.915 7.917 5.926 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.953 9.081 5.037 1.00 0.00 H new ATOM 0 HG LEU A 90 -6.384 6.172 5.562 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -6.068 6.116 3.124 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -7.681 6.715 3.577 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -6.426 7.857 3.042 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -4.127 6.468 4.636 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.357 8.233 4.653 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.335 7.324 6.183 1.00 0.00 H new ATOM 1277 N ARG A 91 -8.110 9.983 8.013 1.00 0.00 N ATOM 1278 CA ARG A 91 -8.800 11.161 8.512 1.00 0.00 C ATOM 1279 C ARG A 91 -7.998 11.806 9.644 1.00 0.00 C ATOM 1280 O ARG A 91 -8.245 12.955 10.008 1.00 0.00 O ATOM 1281 CB ARG A 91 -10.197 10.806 9.024 1.00 0.00 C ATOM 1282 CG ARG A 91 -11.056 10.212 7.906 1.00 0.00 C ATOM 1283 CD ARG A 91 -12.412 10.915 7.823 1.00 0.00 C ATOM 1284 NE ARG A 91 -13.269 10.246 6.819 1.00 0.00 N ATOM 1285 CZ ARG A 91 -14.596 10.413 6.732 1.00 0.00 C ATOM 1286 NH1 ARG A 91 -15.226 11.227 7.590 1.00 0.00 N ATOM 1287 NH2 ARG A 91 -15.293 9.765 5.789 1.00 0.00 N ATOM 0 H ARG A 91 -8.647 9.118 8.070 1.00 0.00 H new ATOM 0 HA ARG A 91 -8.897 11.864 7.684 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -10.117 10.093 9.844 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -10.679 11.698 9.423 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -10.535 10.306 6.953 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -11.205 9.147 8.084 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -12.899 10.899 8.798 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -12.272 11.962 7.554 1.00 0.00 H new ATOM 0 HE ARG A 91 -12.822 9.618 6.151 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -14.696 11.719 8.309 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -16.236 11.354 7.524 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -14.814 9.144 5.137 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -16.303 9.892 5.723 1.00 0.00 H new ATOM 1301 N ASP A 92 -7.054 11.039 10.169 1.00 0.00 N ATOM 1302 CA ASP A 92 -6.214 11.521 11.252 1.00 0.00 C ATOM 1303 C ASP A 92 -4.977 12.206 10.667 1.00 0.00 C ATOM 1304 O ASP A 92 -4.686 13.355 10.994 1.00 0.00 O ATOM 1305 CB ASP A 92 -5.741 10.367 12.138 1.00 0.00 C ATOM 1306 CG ASP A 92 -5.382 10.758 13.573 1.00 0.00 C ATOM 1307 OD1 ASP A 92 -5.255 11.978 13.814 1.00 0.00 O ATOM 1308 OD2 ASP A 92 -5.245 9.828 14.397 1.00 0.00 O ATOM 0 H ASP A 92 -6.852 10.087 9.864 1.00 0.00 H new ATOM 0 HA ASP A 92 -6.802 12.217 11.850 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -6.523 9.609 12.169 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -4.869 9.907 11.674 1.00 0.00 H new ATOM 1313 N SER A 93 -4.282 11.471 9.811 1.00 0.00 N ATOM 1314 CA SER A 93 -3.084 11.993 9.177 1.00 0.00 C ATOM 1315 C SER A 93 -3.358 13.384 8.604 1.00 0.00 C ATOM 1316 O SER A 93 -2.501 14.264 8.664 1.00 0.00 O ATOM 1317 CB SER A 93 -2.589 11.053 8.076 1.00 0.00 C ATOM 1318 OG SER A 93 -1.526 10.217 8.524 1.00 0.00 O ATOM 0 H SER A 93 -4.526 10.518 9.542 1.00 0.00 H new ATOM 0 HA SER A 93 -2.302 12.067 9.933 1.00 0.00 H new ATOM 0 HB2 SER A 93 -3.416 10.433 7.730 1.00 0.00 H new ATOM 0 HB3 SER A 93 -2.252 11.641 7.222 1.00 0.00 H new ATOM 0 HG SER A 93 -1.725 9.285 8.296 1.00 0.00 H new ATOM 1324 N SER A 94 -4.557 13.540 8.062 1.00 0.00 N ATOM 1325 CA SER A 94 -4.956 14.809 7.478 1.00 0.00 C ATOM 1326 C SER A 94 -4.532 15.961 8.392 1.00 0.00 C ATOM 1327 O SER A 94 -4.228 17.055 7.918 1.00 0.00 O ATOM 1328 CB SER A 94 -6.465 14.854 7.234 1.00 0.00 C ATOM 1329 OG SER A 94 -6.901 13.790 6.392 1.00 0.00 O ATOM 0 H SER A 94 -5.266 12.808 8.015 1.00 0.00 H new ATOM 0 HA SER A 94 -4.457 14.914 6.515 1.00 0.00 H new ATOM 0 HB2 SER A 94 -6.988 14.799 8.188 1.00 0.00 H new ATOM 0 HB3 SER A 94 -6.731 15.808 6.779 1.00 0.00 H new ATOM 0 HG SER A 94 -6.796 12.937 6.862 1.00 0.00 H new ATOM 1335 N ILE A 95 -4.526 15.676 9.686 1.00 0.00 N ATOM 1336 CA ILE A 95 -4.145 16.675 10.671 1.00 0.00 C ATOM 1337 C ILE A 95 -2.762 17.229 10.320 1.00 0.00 C ATOM 1338 O ILE A 95 -2.625 18.410 10.006 1.00 0.00 O ATOM 1339 CB ILE A 95 -4.235 16.095 12.084 1.00 0.00 C ATOM 1340 CG1 ILE A 95 -5.690 16.005 12.548 1.00 0.00 C ATOM 1341 CG2 ILE A 95 -3.370 16.895 13.060 1.00 0.00 C ATOM 1342 CD1 ILE A 95 -5.894 14.812 13.484 1.00 0.00 C ATOM 0 H ILE A 95 -4.779 14.768 10.075 1.00 0.00 H new ATOM 0 HA ILE A 95 -4.840 17.515 10.651 1.00 0.00 H new ATOM 0 HB ILE A 95 -3.841 15.079 12.063 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -5.970 16.926 13.060 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -6.346 15.909 11.683 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -3.452 16.462 14.057 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -2.330 16.863 12.735 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -3.711 17.930 13.084 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -6.937 14.771 13.799 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.637 13.891 12.961 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -5.254 14.923 14.360 1.00 0.00 H new ATOM 1354 N THR A 96 -1.774 16.349 10.385 1.00 0.00 N ATOM 1355 CA THR A 96 -0.407 16.735 10.078 1.00 0.00 C ATOM 1356 C THR A 96 -0.253 17.006 8.580 1.00 0.00 C ATOM 1357 O THR A 96 0.804 17.447 8.131 1.00 0.00 O ATOM 1358 CB THR A 96 0.522 15.636 10.595 1.00 0.00 C ATOM 1359 OG1 THR A 96 1.823 16.068 10.204 1.00 0.00 O ATOM 1360 CG2 THR A 96 0.332 14.311 9.853 1.00 0.00 C ATOM 0 H THR A 96 -1.893 15.370 10.646 1.00 0.00 H new ATOM 0 HA THR A 96 -0.138 17.668 10.574 1.00 0.00 H new ATOM 0 HB THR A 96 0.346 15.485 11.660 1.00 0.00 H new ATOM 0 HG1 THR A 96 1.745 16.745 9.500 1.00 0.00 H new ATOM 0 HG21 THR A 96 1.015 13.565 10.259 1.00 0.00 H new ATOM 0 HG22 THR A 96 -0.695 13.968 9.978 1.00 0.00 H new ATOM 0 HG23 THR A 96 0.540 14.455 8.793 1.00 0.00 H new ATOM 1368 N SER A 97 -1.323 16.732 7.848 1.00 0.00 N ATOM 1369 CA SER A 97 -1.320 16.940 6.410 1.00 0.00 C ATOM 1370 C SER A 97 -0.211 16.108 5.763 1.00 0.00 C ATOM 1371 O SER A 97 0.379 16.522 4.766 1.00 0.00 O ATOM 1372 CB SER A 97 -1.140 18.421 6.069 1.00 0.00 C ATOM 1373 OG SER A 97 -2.388 19.103 5.975 1.00 0.00 O ATOM 0 H SER A 97 -2.198 16.368 8.224 1.00 0.00 H new ATOM 0 HA SER A 97 -2.284 16.618 6.016 1.00 0.00 H new ATOM 0 HB2 SER A 97 -0.524 18.896 6.832 1.00 0.00 H new ATOM 0 HB3 SER A 97 -0.605 18.513 5.124 1.00 0.00 H new ATOM 0 HG SER A 97 -2.230 20.045 5.758 1.00 0.00 H new ATOM 1379 N LYS A 98 0.038 14.950 6.356 1.00 0.00 N ATOM 1380 CA LYS A 98 1.065 14.056 5.849 1.00 0.00 C ATOM 1381 C LYS A 98 0.772 12.630 6.321 1.00 0.00 C ATOM 1382 O LYS A 98 0.698 12.372 7.521 1.00 0.00 O ATOM 1383 CB LYS A 98 2.455 14.560 6.242 1.00 0.00 C ATOM 1384 CG LYS A 98 3.419 14.490 5.056 1.00 0.00 C ATOM 1385 CD LYS A 98 4.626 15.405 5.275 1.00 0.00 C ATOM 1386 CE LYS A 98 5.045 16.082 3.969 1.00 0.00 C ATOM 1387 NZ LYS A 98 6.504 16.327 3.957 1.00 0.00 N ATOM 0 H LYS A 98 -0.454 14.610 7.183 1.00 0.00 H new ATOM 0 HA LYS A 98 1.053 14.041 4.759 1.00 0.00 H new ATOM 0 HB2 LYS A 98 2.386 15.588 6.599 1.00 0.00 H new ATOM 0 HB3 LYS A 98 2.843 13.962 7.066 1.00 0.00 H new ATOM 0 HG2 LYS A 98 3.757 13.463 4.918 1.00 0.00 H new ATOM 0 HG3 LYS A 98 2.899 14.780 4.143 1.00 0.00 H new ATOM 0 HD2 LYS A 98 4.382 16.163 6.020 1.00 0.00 H new ATOM 0 HD3 LYS A 98 5.459 14.825 5.672 1.00 0.00 H new ATOM 0 HE2 LYS A 98 4.769 15.454 3.122 1.00 0.00 H new ATOM 0 HE3 LYS A 98 4.511 17.025 3.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 6.771 16.787 3.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 6.759 16.944 4.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 7.009 15.422 4.045 1.00 0.00 H new ATOM 1401 N VAL A 99 0.613 11.741 5.351 1.00 0.00 N ATOM 1402 CA VAL A 99 0.329 10.348 5.652 1.00 0.00 C ATOM 1403 C VAL A 99 1.517 9.486 5.219 1.00 0.00 C ATOM 1404 O VAL A 99 2.192 9.799 4.240 1.00 0.00 O ATOM 1405 CB VAL A 99 -0.986 9.928 4.994 1.00 0.00 C ATOM 1406 CG1 VAL A 99 -0.948 10.176 3.484 1.00 0.00 C ATOM 1407 CG2 VAL A 99 -1.310 8.464 5.300 1.00 0.00 C ATOM 0 H VAL A 99 0.675 11.958 4.356 1.00 0.00 H new ATOM 0 HA VAL A 99 0.199 10.207 6.725 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.782 10.543 5.415 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -1.895 9.869 3.041 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.785 11.237 3.293 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -0.136 9.599 3.041 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.250 8.191 4.820 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.511 7.827 4.920 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.400 8.329 6.378 1.00 0.00 H new ATOM 1417 N THR A 100 1.735 8.416 5.970 1.00 0.00 N ATOM 1418 CA THR A 100 2.829 7.506 5.676 1.00 0.00 C ATOM 1419 C THR A 100 2.298 6.089 5.450 1.00 0.00 C ATOM 1420 O THR A 100 1.950 5.393 6.403 1.00 0.00 O ATOM 1421 CB THR A 100 3.842 7.600 6.818 1.00 0.00 C ATOM 1422 OG1 THR A 100 4.483 8.856 6.611 1.00 0.00 O ATOM 1423 CG2 THR A 100 4.972 6.578 6.685 1.00 0.00 C ATOM 0 H THR A 100 1.173 8.159 6.781 1.00 0.00 H new ATOM 0 HA THR A 100 3.334 7.781 4.750 1.00 0.00 H new ATOM 0 HB THR A 100 3.331 7.453 7.769 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.155 8.999 7.309 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.663 6.688 7.521 1.00 0.00 H new ATOM 0 HG22 THR A 100 4.554 5.571 6.690 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.506 6.745 5.749 1.00 0.00 H new ATOM 1431 N LEU A 101 2.252 5.703 4.184 1.00 0.00 N ATOM 1432 CA LEU A 101 1.769 4.382 3.821 1.00 0.00 C ATOM 1433 C LEU A 101 2.963 3.454 3.588 1.00 0.00 C ATOM 1434 O LEU A 101 3.782 3.700 2.703 1.00 0.00 O ATOM 1435 CB LEU A 101 0.816 4.469 2.627 1.00 0.00 C ATOM 1436 CG LEU A 101 -0.439 5.321 2.831 1.00 0.00 C ATOM 1437 CD1 LEU A 101 -1.125 5.615 1.496 1.00 0.00 C ATOM 1438 CD2 LEU A 101 -1.390 4.663 3.833 1.00 0.00 C ATOM 0 H LEU A 101 2.542 6.282 3.396 1.00 0.00 H new ATOM 0 HA LEU A 101 1.185 3.953 4.635 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.367 4.868 1.776 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.506 3.459 2.361 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.137 6.279 3.255 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -2.014 6.222 1.669 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -0.438 6.156 0.845 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -1.413 4.677 1.021 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -2.274 5.288 3.960 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -1.689 3.683 3.461 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.885 4.548 4.792 1.00 0.00 H new ATOM 1450 N GLU A 102 3.024 2.406 4.397 1.00 0.00 N ATOM 1451 CA GLU A 102 4.104 1.440 4.290 1.00 0.00 C ATOM 1452 C GLU A 102 3.701 0.294 3.360 1.00 0.00 C ATOM 1453 O GLU A 102 2.881 -0.547 3.724 1.00 0.00 O ATOM 1454 CB GLU A 102 4.506 0.912 5.668 1.00 0.00 C ATOM 1455 CG GLU A 102 5.753 0.030 5.576 1.00 0.00 C ATOM 1456 CD GLU A 102 6.822 0.485 6.571 1.00 0.00 C ATOM 1457 OE1 GLU A 102 6.433 0.808 7.714 1.00 0.00 O ATOM 1458 OE2 GLU A 102 8.004 0.501 6.165 1.00 0.00 O ATOM 0 H GLU A 102 2.343 2.205 5.129 1.00 0.00 H new ATOM 0 HA GLU A 102 4.972 1.941 3.862 1.00 0.00 H new ATOM 0 HB2 GLU A 102 4.697 1.749 6.340 1.00 0.00 H new ATOM 0 HB3 GLU A 102 3.683 0.340 6.096 1.00 0.00 H new ATOM 0 HG2 GLU A 102 5.484 -1.007 5.775 1.00 0.00 H new ATOM 0 HG3 GLU A 102 6.155 0.067 4.563 1.00 0.00 H new ATOM 1465 N ILE A 103 4.297 0.298 2.176 1.00 0.00 N ATOM 1466 CA ILE A 103 4.010 -0.731 1.191 1.00 0.00 C ATOM 1467 C ILE A 103 5.151 -1.750 1.177 1.00 0.00 C ATOM 1468 O ILE A 103 6.214 -1.504 1.744 1.00 0.00 O ATOM 1469 CB ILE A 103 3.731 -0.101 -0.176 1.00 0.00 C ATOM 1470 CG1 ILE A 103 2.811 1.114 -0.043 1.00 0.00 C ATOM 1471 CG2 ILE A 103 3.174 -1.138 -1.154 1.00 0.00 C ATOM 1472 CD1 ILE A 103 1.348 0.684 0.078 1.00 0.00 C ATOM 0 H ILE A 103 4.977 0.997 1.877 1.00 0.00 H new ATOM 0 HA ILE A 103 3.102 -1.272 1.458 1.00 0.00 H new ATOM 0 HB ILE A 103 4.676 0.255 -0.587 1.00 0.00 H new ATOM 0 HG12 ILE A 103 3.096 1.696 0.833 1.00 0.00 H new ATOM 0 HG13 ILE A 103 2.932 1.763 -0.910 1.00 0.00 H new ATOM 0 HG21 ILE A 103 2.984 -0.665 -2.117 1.00 0.00 H new ATOM 0 HG22 ILE A 103 3.897 -1.943 -1.282 1.00 0.00 H new ATOM 0 HG23 ILE A 103 2.243 -1.546 -0.761 1.00 0.00 H new ATOM 0 HD11 ILE A 103 0.716 1.567 0.171 1.00 0.00 H new ATOM 0 HD12 ILE A 103 1.059 0.123 -0.811 1.00 0.00 H new ATOM 0 HD13 ILE A 103 1.225 0.055 0.960 1.00 0.00 H new ATOM 1484 N GLU A 104 4.891 -2.873 0.523 1.00 0.00 N ATOM 1485 CA GLU A 104 5.883 -3.930 0.429 1.00 0.00 C ATOM 1486 C GLU A 104 5.846 -4.569 -0.961 1.00 0.00 C ATOM 1487 O GLU A 104 4.809 -5.073 -1.389 1.00 0.00 O ATOM 1488 CB GLU A 104 5.671 -4.980 1.521 1.00 0.00 C ATOM 1489 CG GLU A 104 6.366 -6.295 1.160 1.00 0.00 C ATOM 1490 CD GLU A 104 6.848 -7.023 2.417 1.00 0.00 C ATOM 1491 OE1 GLU A 104 7.479 -6.346 3.258 1.00 0.00 O ATOM 1492 OE2 GLU A 104 6.576 -8.239 2.508 1.00 0.00 O ATOM 0 H GLU A 104 4.008 -3.073 0.053 1.00 0.00 H new ATOM 0 HA GLU A 104 6.869 -3.491 0.580 1.00 0.00 H new ATOM 0 HB2 GLU A 104 6.059 -4.608 2.469 1.00 0.00 H new ATOM 0 HB3 GLU A 104 4.604 -5.155 1.660 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.678 -6.934 0.606 1.00 0.00 H new ATOM 0 HG3 GLU A 104 7.213 -6.095 0.504 1.00 0.00 H new ATOM 1499 N PHE A 105 6.991 -4.529 -1.627 1.00 0.00 N ATOM 1500 CA PHE A 105 7.103 -5.097 -2.959 1.00 0.00 C ATOM 1501 C PHE A 105 8.214 -6.148 -3.015 1.00 0.00 C ATOM 1502 O PHE A 105 8.903 -6.381 -2.023 1.00 0.00 O ATOM 1503 CB PHE A 105 7.454 -3.949 -3.907 1.00 0.00 C ATOM 1504 CG PHE A 105 8.516 -2.993 -3.361 1.00 0.00 C ATOM 1505 CD1 PHE A 105 8.204 -2.135 -2.353 1.00 0.00 C ATOM 1506 CD2 PHE A 105 9.772 -3.002 -3.883 1.00 0.00 C ATOM 1507 CE1 PHE A 105 9.190 -1.248 -1.846 1.00 0.00 C ATOM 1508 CE2 PHE A 105 10.757 -2.115 -3.376 1.00 0.00 C ATOM 1509 CZ PHE A 105 10.446 -1.256 -2.369 1.00 0.00 C ATOM 0 H PHE A 105 7.850 -4.112 -1.268 1.00 0.00 H new ATOM 0 HA PHE A 105 6.167 -5.582 -3.237 1.00 0.00 H new ATOM 0 HB2 PHE A 105 7.806 -4.366 -4.851 1.00 0.00 H new ATOM 0 HB3 PHE A 105 6.549 -3.383 -4.126 1.00 0.00 H new ATOM 0 HD1 PHE A 105 7.207 -2.128 -1.938 1.00 0.00 H new ATOM 0 HD2 PHE A 105 10.020 -3.684 -4.683 1.00 0.00 H new ATOM 0 HE1 PHE A 105 8.943 -0.567 -1.045 1.00 0.00 H new ATOM 0 HE2 PHE A 105 11.754 -2.122 -3.790 1.00 0.00 H new ATOM 0 HZ PHE A 105 11.196 -0.580 -1.984 1.00 0.00 H new ATOM 1519 N ASP A 106 8.354 -6.753 -4.186 1.00 0.00 N ATOM 1520 CA ASP A 106 9.369 -7.773 -4.384 1.00 0.00 C ATOM 1521 C ASP A 106 10.523 -7.185 -5.200 1.00 0.00 C ATOM 1522 O ASP A 106 10.355 -6.174 -5.880 1.00 0.00 O ATOM 1523 CB ASP A 106 8.806 -8.968 -5.155 1.00 0.00 C ATOM 1524 CG ASP A 106 8.011 -8.611 -6.412 1.00 0.00 C ATOM 1525 OD1 ASP A 106 6.982 -7.919 -6.255 1.00 0.00 O ATOM 1526 OD2 ASP A 106 8.450 -9.038 -7.501 1.00 0.00 O ATOM 0 H ASP A 106 7.781 -6.556 -5.007 1.00 0.00 H new ATOM 0 HA ASP A 106 9.710 -8.105 -3.403 1.00 0.00 H new ATOM 0 HB2 ASP A 106 9.632 -9.620 -5.439 1.00 0.00 H new ATOM 0 HB3 ASP A 106 8.163 -9.541 -4.487 1.00 0.00 H new