USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 621 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 82 SER OG : rot -82:sc= 0.672 USER MOD Set 1.2: A 83 CYS SG : rot 180:sc= 0 USER MOD Set 2.1: A 33 CYS SG : rot 26:sc= 0.658 USER MOD Set 2.2: A 41 GLN : amide:sc= -0.0823 K(o=0.58,f=-1.4) USER MOD Set 3.1: A 18 GLN :FLIP amide:sc= -10.4! C(o=-12!,f=-10!) USER MOD Set 3.2: A 20 THR OG1 : rot -8:sc= 0.333 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot 160:sc= 0 USER MOD Single : A 36 SER OG : rot 60:sc= -0.0155 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.56 X(o=-0.56,f=-0.08) USER MOD Single : A 56 GLN : amide:sc= -1.65! C(o=-1.6!,f=-7.3!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.841 K(o=-0.84,f=-4.9!) USER MOD Single : A 64 ASN : amide:sc= -2.8! C(o=-2.8!,f=-3.3!) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 CYS SG : rot 180:sc= -0.188 USER MOD Single : A 78 HIS : no HD1:sc= -0.1 X(o=-0.1,f=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 143 N GLY A 14 9.909 -2.496 10.595 1.00 0.00 N ATOM 144 CA GLY A 14 9.077 -1.585 9.832 1.00 0.00 C ATOM 145 C GLY A 14 7.802 -1.214 10.563 1.00 0.00 C ATOM 146 O GLY A 14 7.516 -1.747 11.634 1.00 0.00 O ATOM 0 HA2 GLY A 14 9.642 -0.680 9.612 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.824 -2.043 8.876 1.00 0.00 H new ATOM 150 N GLU A 15 7.035 -0.296 9.983 1.00 0.00 N ATOM 151 CA GLU A 15 5.785 0.148 10.588 1.00 0.00 C ATOM 152 C GLU A 15 4.672 0.223 9.547 1.00 0.00 C ATOM 153 O GLU A 15 4.931 0.218 8.343 1.00 0.00 O ATOM 154 CB GLU A 15 5.970 1.514 11.252 1.00 0.00 C ATOM 155 CG GLU A 15 6.342 2.619 10.277 1.00 0.00 C ATOM 156 CD GLU A 15 7.732 2.441 9.697 1.00 0.00 C ATOM 157 OE1 GLU A 15 8.597 1.869 10.392 1.00 0.00 O ATOM 158 OE2 GLU A 15 7.954 2.875 8.547 1.00 0.00 O ATOM 0 H GLU A 15 7.257 0.154 9.095 1.00 0.00 H new ATOM 0 HA GLU A 15 5.500 -0.581 11.347 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.047 1.788 11.764 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.746 1.436 12.014 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.614 2.643 9.466 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.285 3.582 10.785 1.00 0.00 H new ATOM 165 N LYS A 16 3.432 0.291 10.018 1.00 0.00 N ATOM 166 CA LYS A 16 2.278 0.368 9.130 1.00 0.00 C ATOM 167 C LYS A 16 1.934 1.819 8.810 1.00 0.00 C ATOM 168 O LYS A 16 1.684 2.622 9.710 1.00 0.00 O ATOM 169 CB LYS A 16 1.072 -0.325 9.767 1.00 0.00 C ATOM 170 CG LYS A 16 1.097 -1.838 9.631 1.00 0.00 C ATOM 171 CD LYS A 16 0.107 -2.499 10.575 1.00 0.00 C ATOM 172 CE LYS A 16 -1.302 -2.488 10.001 1.00 0.00 C ATOM 173 NZ LYS A 16 -2.300 -3.018 10.972 1.00 0.00 N ATOM 0 H LYS A 16 3.200 0.294 11.011 1.00 0.00 H new ATOM 0 HA LYS A 16 2.532 -0.140 8.200 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.031 -0.064 10.825 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.160 0.057 9.309 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.862 -2.116 8.603 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.101 -2.206 9.839 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.415 -3.527 10.766 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.115 -1.980 11.534 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.572 -1.470 9.721 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.328 -3.086 9.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.247 -2.994 10.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.057 -3.998 11.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.294 -2.432 11.831 1.00 0.00 H new ATOM 187 N LEU A 17 1.922 2.149 7.523 1.00 0.00 N ATOM 188 CA LEU A 17 1.606 3.503 7.083 1.00 0.00 C ATOM 189 C LEU A 17 0.601 3.483 5.936 1.00 0.00 C ATOM 190 O LEU A 17 0.738 2.706 4.992 1.00 0.00 O ATOM 191 CB LEU A 17 2.880 4.229 6.647 1.00 0.00 C ATOM 192 CG LEU A 17 4.030 4.231 7.656 1.00 0.00 C ATOM 193 CD1 LEU A 17 5.331 4.639 6.981 1.00 0.00 C ATOM 194 CD2 LEU A 17 3.717 5.160 8.819 1.00 0.00 C ATOM 0 H LEU A 17 2.128 1.497 6.766 1.00 0.00 H new ATOM 0 HA LEU A 17 1.160 4.036 7.923 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.235 3.774 5.722 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.624 5.263 6.416 1.00 0.00 H new ATOM 0 HG LEU A 17 4.148 3.220 8.046 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.138 4.635 7.714 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.563 3.935 6.182 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.226 5.640 6.563 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.546 5.149 9.527 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.572 6.174 8.446 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.809 4.824 9.319 1.00 0.00 H new ATOM 206 N GLN A 18 -0.407 4.345 6.025 1.00 0.00 N ATOM 207 CA GLN A 18 -1.435 4.427 4.993 1.00 0.00 C ATOM 208 C GLN A 18 -1.172 5.600 4.055 1.00 0.00 C ATOM 209 O GLN A 18 -0.599 6.613 4.458 1.00 0.00 O ATOM 210 CB GLN A 18 -2.818 4.568 5.631 1.00 0.00 C ATOM 211 CG GLN A 18 -3.957 4.549 4.624 1.00 0.00 C ATOM 212 CD GLN A 18 -4.113 5.869 3.895 1.00 0.00 C ATOM 213 OE1 GLN A 18 -4.733 5.827 2.722 1.00 0.00 O flip ATOM 214 NE2 GLN A 18 -3.681 6.915 4.381 1.00 0.00 N flip ATOM 0 H GLN A 18 -0.534 4.996 6.800 1.00 0.00 H new ATOM 0 HA GLN A 18 -1.404 3.506 4.411 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -2.963 3.759 6.347 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -2.856 5.501 6.193 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.782 3.756 3.898 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.888 4.310 5.138 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -3.211 6.901 5.286 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -3.794 7.795 3.879 1.00 0.00 H new ATOM 223 N ILE A 19 -1.594 5.457 2.804 1.00 0.00 N ATOM 224 CA ILE A 19 -1.405 6.505 1.809 1.00 0.00 C ATOM 225 C ILE A 19 -2.660 6.695 0.964 1.00 0.00 C ATOM 226 O ILE A 19 -3.056 5.805 0.211 1.00 0.00 O ATOM 227 CB ILE A 19 -0.217 6.192 0.880 1.00 0.00 C ATOM 228 CG1 ILE A 19 1.052 5.955 1.701 1.00 0.00 C ATOM 229 CG2 ILE A 19 -0.008 7.326 -0.112 1.00 0.00 C ATOM 230 CD1 ILE A 19 1.498 7.167 2.489 1.00 0.00 C ATOM 0 H ILE A 19 -2.070 4.625 2.455 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.196 7.424 2.356 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.441 5.283 0.322 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.880 5.127 2.389 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.857 5.651 1.031 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.835 7.090 -0.762 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -0.907 7.452 -0.715 1.00 0.00 H new ATOM 0 HG23 ILE A 19 0.198 8.249 0.429 1.00 0.00 H new ATOM 0 HD11 ILE A 19 2.403 6.926 3.047 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.702 7.991 1.805 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.711 7.459 3.184 1.00 0.00 H new ATOM 242 N THR A 20 -3.283 7.862 1.094 1.00 0.00 N ATOM 243 CA THR A 20 -4.493 8.170 0.343 1.00 0.00 C ATOM 244 C THR A 20 -4.158 8.706 -1.044 1.00 0.00 C ATOM 245 O THR A 20 -3.566 9.778 -1.179 1.00 0.00 O ATOM 246 CB THR A 20 -5.367 9.201 1.082 1.00 0.00 C ATOM 247 OG1 THR A 20 -5.679 8.726 2.396 1.00 0.00 O ATOM 248 CG2 THR A 20 -6.653 9.471 0.315 1.00 0.00 C ATOM 0 H THR A 20 -2.969 8.610 1.713 1.00 0.00 H new ATOM 0 HA THR A 20 -5.049 7.238 0.245 1.00 0.00 H new ATOM 0 HB THR A 20 -4.806 10.133 1.157 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.374 7.799 2.490 1.00 0.00 H new ATOM 0 HG21 THR A 20 -7.253 10.202 0.857 1.00 0.00 H new ATOM 0 HG22 THR A 20 -6.412 9.861 -0.674 1.00 0.00 H new ATOM 0 HG23 THR A 20 -7.217 8.544 0.212 1.00 0.00 H new ATOM 256 N ILE A 21 -4.540 7.956 -2.072 1.00 0.00 N ATOM 257 CA ILE A 21 -4.281 8.358 -3.449 1.00 0.00 C ATOM 258 C ILE A 21 -5.538 8.923 -4.102 1.00 0.00 C ATOM 259 O ILE A 21 -6.609 8.321 -4.035 1.00 0.00 O ATOM 260 CB ILE A 21 -3.764 7.177 -4.292 1.00 0.00 C ATOM 261 CG1 ILE A 21 -2.517 6.570 -3.648 1.00 0.00 C ATOM 262 CG2 ILE A 21 -3.465 7.632 -5.713 1.00 0.00 C ATOM 263 CD1 ILE A 21 -2.144 5.216 -4.211 1.00 0.00 C ATOM 0 H ILE A 21 -5.030 7.066 -1.977 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.514 9.132 -3.414 1.00 0.00 H new ATOM 0 HB ILE A 21 -4.539 6.411 -4.332 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -1.679 7.254 -3.783 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.682 6.475 -2.575 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.101 6.787 -6.297 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -4.375 8.023 -6.169 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.705 8.413 -5.693 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.251 4.846 -3.708 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -2.965 4.517 -4.052 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.947 5.308 -5.279 1.00 0.00 H new ATOM 275 N ARG A 22 -5.398 10.083 -4.736 1.00 0.00 N ATOM 276 CA ARG A 22 -6.522 10.730 -5.402 1.00 0.00 C ATOM 277 C ARG A 22 -6.346 10.699 -6.918 1.00 0.00 C ATOM 278 O ARG A 22 -5.385 11.254 -7.452 1.00 0.00 O ATOM 279 CB ARG A 22 -6.663 12.176 -4.924 1.00 0.00 C ATOM 280 CG ARG A 22 -8.079 12.719 -5.033 1.00 0.00 C ATOM 281 CD ARG A 22 -8.201 14.090 -4.389 1.00 0.00 C ATOM 282 NE ARG A 22 -8.040 14.030 -2.939 1.00 0.00 N ATOM 283 CZ ARG A 22 -8.540 14.936 -2.106 1.00 0.00 C ATOM 284 NH1 ARG A 22 -9.228 15.967 -2.577 1.00 0.00 N ATOM 285 NH2 ARG A 22 -8.351 14.812 -0.798 1.00 0.00 N ATOM 0 H ARG A 22 -4.518 10.594 -4.802 1.00 0.00 H new ATOM 0 HA ARG A 22 -7.428 10.181 -5.147 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -6.338 12.240 -3.886 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.994 12.809 -5.507 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -8.366 12.782 -6.083 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -8.773 12.028 -4.554 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -7.448 14.756 -4.810 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -9.175 14.517 -4.628 1.00 0.00 H new ATOM 0 HE ARG A 22 -7.515 13.250 -2.544 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -9.375 16.066 -3.582 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -9.611 16.661 -1.935 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -7.822 14.021 -0.432 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -8.735 15.508 -0.159 1.00 0.00 H new ATOM 299 N ARG A 23 -7.279 10.048 -7.604 1.00 0.00 N ATOM 300 CA ARG A 23 -7.226 9.943 -9.057 1.00 0.00 C ATOM 301 C ARG A 23 -6.661 11.219 -9.673 1.00 0.00 C ATOM 302 O ARG A 23 -7.326 12.254 -9.705 1.00 0.00 O ATOM 303 CB ARG A 23 -8.621 9.667 -9.621 1.00 0.00 C ATOM 304 CG ARG A 23 -8.605 8.990 -10.982 1.00 0.00 C ATOM 305 CD ARG A 23 -10.010 8.640 -11.447 1.00 0.00 C ATOM 306 NE ARG A 23 -10.062 8.380 -12.883 1.00 0.00 N ATOM 307 CZ ARG A 23 -10.012 9.335 -13.805 1.00 0.00 C ATOM 308 NH1 ARG A 23 -9.908 10.606 -13.443 1.00 0.00 N ATOM 309 NH2 ARG A 23 -10.064 9.019 -15.093 1.00 0.00 N ATOM 0 H ARG A 23 -8.081 9.585 -7.177 1.00 0.00 H new ATOM 0 HA ARG A 23 -6.567 9.113 -9.313 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -9.170 9.039 -8.919 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -9.165 10.608 -9.699 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -8.133 9.648 -11.711 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -8.001 8.084 -10.932 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -10.362 7.762 -10.907 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -10.687 9.458 -11.202 1.00 0.00 H new ATOM 0 HE ARG A 23 -10.141 7.412 -13.195 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -9.866 10.853 -12.454 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -9.870 11.337 -14.153 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -10.142 8.042 -15.376 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -10.026 9.753 -15.800 1.00 0.00 H new ATOM 371 N PHE A 28 -5.368 6.688 -11.439 1.00 0.00 N ATOM 372 CA PHE A 28 -4.791 6.816 -10.105 1.00 0.00 C ATOM 373 C PHE A 28 -3.335 7.264 -10.183 1.00 0.00 C ATOM 374 O PHE A 28 -2.945 8.253 -9.564 1.00 0.00 O ATOM 375 CB PHE A 28 -4.887 5.485 -9.356 1.00 0.00 C ATOM 376 CG PHE A 28 -6.261 5.196 -8.822 1.00 0.00 C ATOM 377 CD1 PHE A 28 -6.836 6.022 -7.869 1.00 0.00 C ATOM 378 CD2 PHE A 28 -6.977 4.099 -9.272 1.00 0.00 C ATOM 379 CE1 PHE A 28 -8.099 5.757 -7.375 1.00 0.00 C ATOM 380 CE2 PHE A 28 -8.241 3.830 -8.783 1.00 0.00 C ATOM 381 CZ PHE A 28 -8.804 4.661 -7.833 1.00 0.00 C ATOM 0 HA PHE A 28 -5.357 7.573 -9.562 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -4.589 4.678 -10.025 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.178 5.491 -8.528 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -6.291 6.882 -7.509 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -6.542 3.446 -10.014 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -8.535 6.407 -6.631 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -8.788 2.971 -9.143 1.00 0.00 H new ATOM 0 HZ PHE A 28 -9.792 4.454 -7.450 1.00 0.00 H new ATOM 391 N GLY A 29 -2.535 6.529 -10.949 1.00 0.00 N ATOM 392 CA GLY A 29 -1.131 6.865 -11.094 1.00 0.00 C ATOM 393 C GLY A 29 -0.219 5.693 -10.791 1.00 0.00 C ATOM 394 O GLY A 29 0.772 5.472 -11.486 1.00 0.00 O ATOM 0 H GLY A 29 -2.835 5.706 -11.472 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.947 7.211 -12.111 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.888 7.692 -10.427 1.00 0.00 H new ATOM 398 N PHE A 30 -0.554 4.940 -9.748 1.00 0.00 N ATOM 399 CA PHE A 30 0.243 3.785 -9.352 1.00 0.00 C ATOM 400 C PHE A 30 -0.363 2.493 -9.894 1.00 0.00 C ATOM 401 O PHE A 30 -1.566 2.416 -10.146 1.00 0.00 O ATOM 402 CB PHE A 30 0.350 3.711 -7.827 1.00 0.00 C ATOM 403 CG PHE A 30 -0.847 3.084 -7.172 1.00 0.00 C ATOM 404 CD1 PHE A 30 -2.057 3.758 -7.119 1.00 0.00 C ATOM 405 CD2 PHE A 30 -0.764 1.821 -6.610 1.00 0.00 C ATOM 406 CE1 PHE A 30 -3.160 3.184 -6.516 1.00 0.00 C ATOM 407 CE2 PHE A 30 -1.864 1.241 -6.006 1.00 0.00 C ATOM 408 CZ PHE A 30 -3.063 1.923 -5.960 1.00 0.00 C ATOM 0 H PHE A 30 -1.372 5.109 -9.162 1.00 0.00 H new ATOM 0 HA PHE A 30 1.241 3.902 -9.774 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.240 3.141 -7.560 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.485 4.717 -7.431 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.139 4.743 -7.554 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.172 1.283 -6.644 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.097 3.720 -6.479 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.785 0.256 -5.571 1.00 0.00 H new ATOM 0 HZ PHE A 30 -3.924 1.472 -5.490 1.00 0.00 H new ATOM 418 N THR A 31 0.479 1.480 -10.072 1.00 0.00 N ATOM 419 CA THR A 31 0.028 0.193 -10.585 1.00 0.00 C ATOM 420 C THR A 31 0.456 -0.946 -9.666 1.00 0.00 C ATOM 421 O THR A 31 1.565 -0.940 -9.130 1.00 0.00 O ATOM 422 CB THR A 31 0.577 -0.071 -12.000 1.00 0.00 C ATOM 423 OG1 THR A 31 0.499 1.123 -12.786 1.00 0.00 O ATOM 424 CG2 THR A 31 -0.202 -1.185 -12.683 1.00 0.00 C ATOM 0 H THR A 31 1.477 1.526 -9.868 1.00 0.00 H new ATOM 0 HA THR A 31 -1.060 0.233 -10.627 1.00 0.00 H new ATOM 0 HB THR A 31 1.619 -0.379 -11.910 1.00 0.00 H new ATOM 0 HG1 THR A 31 0.851 0.947 -13.683 1.00 0.00 H new ATOM 0 HG21 THR A 31 0.203 -1.354 -13.681 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.117 -2.100 -12.097 1.00 0.00 H new ATOM 0 HG23 THR A 31 -1.251 -0.900 -12.761 1.00 0.00 H new ATOM 432 N ILE A 32 -0.428 -1.921 -9.489 1.00 0.00 N ATOM 433 CA ILE A 32 -0.140 -3.068 -8.636 1.00 0.00 C ATOM 434 C ILE A 32 -0.790 -4.335 -9.180 1.00 0.00 C ATOM 435 O ILE A 32 -1.973 -4.339 -9.525 1.00 0.00 O ATOM 436 CB ILE A 32 -0.627 -2.833 -7.194 1.00 0.00 C ATOM 437 CG1 ILE A 32 -2.142 -2.618 -7.172 1.00 0.00 C ATOM 438 CG2 ILE A 32 0.091 -1.640 -6.580 1.00 0.00 C ATOM 439 CD1 ILE A 32 -2.926 -3.875 -6.866 1.00 0.00 C ATOM 0 H ILE A 32 -1.350 -1.940 -9.925 1.00 0.00 H new ATOM 0 HA ILE A 32 0.943 -3.192 -8.630 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.396 -3.717 -6.600 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.382 -1.859 -6.427 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.460 -2.228 -8.139 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.264 -1.487 -5.561 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.164 -1.829 -6.566 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -0.112 -0.748 -7.173 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.992 -3.648 -6.867 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -2.715 -4.629 -7.624 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.637 -4.255 -5.886 1.00 0.00 H new ATOM 451 N CYS A 33 -0.011 -5.409 -9.252 1.00 0.00 N ATOM 452 CA CYS A 33 -0.512 -6.684 -9.753 1.00 0.00 C ATOM 453 C CYS A 33 0.281 -7.847 -9.167 1.00 0.00 C ATOM 454 O CYS A 33 1.500 -7.923 -9.324 1.00 0.00 O ATOM 455 CB CYS A 33 -0.438 -6.719 -11.281 1.00 0.00 C ATOM 456 SG CYS A 33 1.243 -6.839 -11.936 1.00 0.00 S ATOM 0 H CYS A 33 0.969 -5.422 -8.970 1.00 0.00 H new ATOM 0 HA CYS A 33 -1.552 -6.785 -9.444 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.019 -7.567 -11.643 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -0.908 -5.819 -11.678 1.00 0.00 H new ATOM 0 HG CYS A 33 2.013 -7.403 -11.054 1.00 0.00 H new ATOM 462 N CYS A 34 -0.418 -8.751 -8.489 1.00 0.00 N ATOM 463 CA CYS A 34 0.221 -9.910 -7.876 1.00 0.00 C ATOM 464 C CYS A 34 -0.814 -10.814 -7.214 1.00 0.00 C ATOM 465 O CYS A 34 -1.879 -10.356 -6.800 1.00 0.00 O ATOM 466 CB CYS A 34 1.258 -9.461 -6.846 1.00 0.00 C ATOM 467 SG CYS A 34 2.665 -10.584 -6.678 1.00 0.00 S ATOM 0 H CYS A 34 -1.427 -8.704 -8.350 1.00 0.00 H new ATOM 0 HA CYS A 34 0.722 -10.476 -8.661 1.00 0.00 H new ATOM 0 HB2 CYS A 34 1.626 -8.473 -7.124 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.771 -9.359 -5.876 1.00 0.00 H new ATOM 0 HG CYS A 34 3.663 -9.951 -6.136 1.00 0.00 H new ATOM 473 N ASP A 35 -0.494 -12.100 -7.120 1.00 0.00 N ATOM 474 CA ASP A 35 -1.396 -13.069 -6.508 1.00 0.00 C ATOM 475 C ASP A 35 -1.282 -13.034 -4.987 1.00 0.00 C ATOM 476 O ASP A 35 -0.182 -13.066 -4.436 1.00 0.00 O ATOM 477 CB ASP A 35 -1.090 -14.477 -7.022 1.00 0.00 C ATOM 478 CG ASP A 35 -0.527 -14.470 -8.430 1.00 0.00 C ATOM 479 OD1 ASP A 35 -0.988 -13.648 -9.249 1.00 0.00 O ATOM 480 OD2 ASP A 35 0.374 -15.287 -8.713 1.00 0.00 O ATOM 0 H ASP A 35 0.383 -12.496 -7.460 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.416 -12.803 -6.784 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.378 -14.959 -6.352 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.002 -15.074 -7.001 1.00 0.00 H new ATOM 485 N SER A 36 -2.426 -12.966 -4.315 1.00 0.00 N ATOM 486 CA SER A 36 -2.455 -12.921 -2.858 1.00 0.00 C ATOM 487 C SER A 36 -1.281 -13.695 -2.267 1.00 0.00 C ATOM 488 O SER A 36 -1.086 -14.880 -2.539 1.00 0.00 O ATOM 489 CB SER A 36 -3.774 -13.494 -2.335 1.00 0.00 C ATOM 490 OG SER A 36 -3.739 -13.649 -0.926 1.00 0.00 O ATOM 0 H SER A 36 -3.345 -12.941 -4.756 1.00 0.00 H new ATOM 0 HA SER A 36 -2.372 -11.879 -2.550 1.00 0.00 H new ATOM 0 HB2 SER A 36 -4.596 -12.834 -2.611 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.968 -14.458 -2.806 1.00 0.00 H new ATOM 0 HG SER A 36 -3.588 -12.777 -0.505 1.00 0.00 H new ATOM 496 N PRO A 37 -0.479 -13.011 -1.438 1.00 0.00 N ATOM 497 CA PRO A 37 -0.701 -11.600 -1.106 1.00 0.00 C ATOM 498 C PRO A 37 -0.429 -10.677 -2.289 1.00 0.00 C ATOM 499 O PRO A 37 0.402 -10.979 -3.147 1.00 0.00 O ATOM 500 CB PRO A 37 0.302 -11.337 0.019 1.00 0.00 C ATOM 501 CG PRO A 37 1.382 -12.342 -0.194 1.00 0.00 C ATOM 502 CD PRO A 37 0.707 -13.561 -0.760 1.00 0.00 C ATOM 0 HA PRO A 37 -1.736 -11.406 -0.826 1.00 0.00 H new ATOM 0 HB2 PRO A 37 0.692 -10.320 -0.028 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -0.162 -11.455 0.998 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.139 -11.962 -0.879 1.00 0.00 H new ATOM 0 HG3 PRO A 37 1.888 -12.576 0.743 1.00 0.00 H new ATOM 0 HD2 PRO A 37 1.356 -14.093 -1.455 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.431 -14.267 0.023 1.00 0.00 H new ATOM 510 N VAL A 38 -1.134 -9.551 -2.330 1.00 0.00 N ATOM 511 CA VAL A 38 -0.967 -8.583 -3.407 1.00 0.00 C ATOM 512 C VAL A 38 0.218 -7.662 -3.139 1.00 0.00 C ATOM 513 O VAL A 38 0.466 -7.268 -1.999 1.00 0.00 O ATOM 514 CB VAL A 38 -2.234 -7.728 -3.596 1.00 0.00 C ATOM 515 CG1 VAL A 38 -2.047 -6.739 -4.735 1.00 0.00 C ATOM 516 CG2 VAL A 38 -3.443 -8.618 -3.844 1.00 0.00 C ATOM 0 H VAL A 38 -1.827 -9.287 -1.629 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.783 -9.153 -4.318 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.409 -7.161 -2.682 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.953 -6.144 -4.853 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.207 -6.081 -4.511 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.847 -7.282 -5.659 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.330 -7.998 -3.975 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.279 -9.212 -4.743 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.587 -9.282 -2.992 1.00 0.00 H new ATOM 526 N ARG A 39 0.947 -7.321 -4.197 1.00 0.00 N ATOM 527 CA ARG A 39 2.107 -6.446 -4.076 1.00 0.00 C ATOM 528 C ARG A 39 2.033 -5.303 -5.084 1.00 0.00 C ATOM 529 O ARG A 39 1.129 -5.254 -5.919 1.00 0.00 O ATOM 530 CB ARG A 39 3.396 -7.242 -4.285 1.00 0.00 C ATOM 531 CG ARG A 39 4.599 -6.653 -3.567 1.00 0.00 C ATOM 532 CD ARG A 39 5.697 -7.688 -3.378 1.00 0.00 C ATOM 533 NE ARG A 39 5.464 -8.525 -2.204 1.00 0.00 N ATOM 534 CZ ARG A 39 4.845 -9.699 -2.250 1.00 0.00 C ATOM 535 NH1 ARG A 39 4.400 -10.173 -3.406 1.00 0.00 N ATOM 536 NH2 ARG A 39 4.670 -10.403 -1.139 1.00 0.00 N ATOM 0 H ARG A 39 0.755 -7.637 -5.147 1.00 0.00 H new ATOM 0 HA ARG A 39 2.108 -6.022 -3.072 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.242 -8.264 -3.939 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.611 -7.296 -5.352 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.987 -5.809 -4.137 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.291 -6.266 -2.596 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.758 -8.318 -4.266 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.658 -7.183 -3.278 1.00 0.00 H new ATOM 0 HE ARG A 39 5.795 -8.189 -1.299 1.00 0.00 H new ATOM 0 HH11 ARG A 39 4.533 -9.636 -4.263 1.00 0.00 H new ATOM 0 HH12 ARG A 39 3.925 -11.075 -3.438 1.00 0.00 H new ATOM 0 HH21 ARG A 39 5.011 -10.043 -0.248 1.00 0.00 H new ATOM 0 HH22 ARG A 39 4.194 -11.305 -1.176 1.00 0.00 H new ATOM 550 N VAL A 40 2.990 -4.384 -5.001 1.00 0.00 N ATOM 551 CA VAL A 40 3.035 -3.242 -5.906 1.00 0.00 C ATOM 552 C VAL A 40 3.885 -3.546 -7.134 1.00 0.00 C ATOM 553 O VAL A 40 4.895 -4.243 -7.044 1.00 0.00 O ATOM 554 CB VAL A 40 3.596 -1.991 -5.203 1.00 0.00 C ATOM 555 CG1 VAL A 40 3.511 -0.781 -6.120 1.00 0.00 C ATOM 556 CG2 VAL A 40 2.855 -1.736 -3.899 1.00 0.00 C ATOM 0 H VAL A 40 3.745 -4.408 -4.316 1.00 0.00 H new ATOM 0 HA VAL A 40 2.009 -3.045 -6.218 1.00 0.00 H new ATOM 0 HB VAL A 40 4.646 -2.166 -4.969 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.912 0.093 -5.607 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.090 -0.968 -7.024 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.470 -0.599 -6.387 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.264 -0.849 -3.416 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.796 -1.581 -4.107 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.973 -2.596 -3.239 1.00 0.00 H new ATOM 566 N GLN A 41 3.469 -3.018 -8.280 1.00 0.00 N ATOM 567 CA GLN A 41 4.193 -3.234 -9.528 1.00 0.00 C ATOM 568 C GLN A 41 5.192 -2.109 -9.779 1.00 0.00 C ATOM 569 O GLN A 41 6.398 -2.341 -9.851 1.00 0.00 O ATOM 570 CB GLN A 41 3.214 -3.334 -10.699 1.00 0.00 C ATOM 571 CG GLN A 41 3.891 -3.587 -12.037 1.00 0.00 C ATOM 572 CD GLN A 41 2.915 -4.024 -13.111 1.00 0.00 C ATOM 573 OE1 GLN A 41 1.700 -3.921 -12.941 1.00 0.00 O ATOM 574 NE2 GLN A 41 3.443 -4.516 -14.226 1.00 0.00 N ATOM 0 H GLN A 41 2.635 -2.438 -8.371 1.00 0.00 H new ATOM 0 HA GLN A 41 4.743 -4.171 -9.443 1.00 0.00 H new ATOM 0 HB2 GLN A 41 2.505 -4.138 -10.502 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.639 -2.410 -10.761 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.399 -2.678 -12.361 1.00 0.00 H new ATOM 0 HG3 GLN A 41 4.657 -4.353 -11.914 1.00 0.00 H new ATOM 0 HE21 GLN A 41 4.456 -4.583 -14.324 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.835 -4.827 -14.984 1.00 0.00 H new ATOM 583 N ALA A 42 4.681 -0.889 -9.911 1.00 0.00 N ATOM 584 CA ALA A 42 5.528 0.272 -10.152 1.00 0.00 C ATOM 585 C ALA A 42 4.838 1.557 -9.707 1.00 0.00 C ATOM 586 O ALA A 42 3.610 1.641 -9.691 1.00 0.00 O ATOM 587 CB ALA A 42 5.903 0.355 -11.624 1.00 0.00 C ATOM 0 H ALA A 42 3.684 -0.680 -9.855 1.00 0.00 H new ATOM 0 HA ALA A 42 6.437 0.156 -9.562 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.536 1.227 -11.790 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.444 -0.546 -11.913 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.998 0.444 -12.225 1.00 0.00 H new ATOM 593 N VAL A 43 5.635 2.558 -9.346 1.00 0.00 N ATOM 594 CA VAL A 43 5.101 3.839 -8.901 1.00 0.00 C ATOM 595 C VAL A 43 5.482 4.958 -9.865 1.00 0.00 C ATOM 596 O VAL A 43 6.629 5.050 -10.303 1.00 0.00 O ATOM 597 CB VAL A 43 5.604 4.198 -7.491 1.00 0.00 C ATOM 598 CG1 VAL A 43 5.095 5.569 -7.074 1.00 0.00 C ATOM 599 CG2 VAL A 43 5.180 3.135 -6.488 1.00 0.00 C ATOM 0 H VAL A 43 6.654 2.506 -9.353 1.00 0.00 H new ATOM 0 HA VAL A 43 4.016 3.738 -8.876 1.00 0.00 H new ATOM 0 HB VAL A 43 6.693 4.233 -7.511 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.461 5.805 -6.075 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.453 6.320 -7.778 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.005 5.567 -7.070 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.544 3.405 -5.497 1.00 0.00 H new ATOM 0 HG22 VAL A 43 4.092 3.066 -6.469 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.600 2.172 -6.779 1.00 0.00 H new ATOM 609 N ASP A 44 4.513 5.806 -10.190 1.00 0.00 N ATOM 610 CA ASP A 44 4.747 6.921 -11.101 1.00 0.00 C ATOM 611 C ASP A 44 5.571 8.012 -10.424 1.00 0.00 C ATOM 612 O ASP A 44 5.242 8.461 -9.327 1.00 0.00 O ATOM 613 CB ASP A 44 3.417 7.497 -11.588 1.00 0.00 C ATOM 614 CG ASP A 44 3.604 8.656 -12.547 1.00 0.00 C ATOM 615 OD1 ASP A 44 4.480 8.558 -13.432 1.00 0.00 O ATOM 616 OD2 ASP A 44 2.875 9.661 -12.413 1.00 0.00 O ATOM 0 H ASP A 44 3.558 5.743 -9.837 1.00 0.00 H new ATOM 0 HA ASP A 44 5.307 6.547 -11.958 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.843 6.712 -12.079 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.833 7.830 -10.730 1.00 0.00 H new ATOM 621 N SER A 45 6.645 8.432 -11.086 1.00 0.00 N ATOM 622 CA SER A 45 7.519 9.466 -10.547 1.00 0.00 C ATOM 623 C SER A 45 6.885 10.846 -10.696 1.00 0.00 C ATOM 624 O SER A 45 6.768 11.372 -11.802 1.00 0.00 O ATOM 625 CB SER A 45 8.876 9.437 -11.253 1.00 0.00 C ATOM 626 OG SER A 45 9.604 8.271 -10.910 1.00 0.00 O ATOM 0 H SER A 45 6.930 8.071 -11.997 1.00 0.00 H new ATOM 0 HA SER A 45 7.666 9.265 -9.486 1.00 0.00 H new ATOM 0 HB2 SER A 45 8.729 9.473 -12.332 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.451 10.322 -10.980 1.00 0.00 H new ATOM 0 HG SER A 45 10.467 8.275 -11.375 1.00 0.00 H new ATOM 632 N GLY A 46 6.476 11.428 -9.572 1.00 0.00 N ATOM 633 CA GLY A 46 5.858 12.741 -9.599 1.00 0.00 C ATOM 634 C GLY A 46 4.351 12.669 -9.741 1.00 0.00 C ATOM 635 O GLY A 46 3.745 13.497 -10.421 1.00 0.00 O ATOM 0 H GLY A 46 6.562 11.014 -8.644 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.108 13.276 -8.683 1.00 0.00 H new ATOM 0 HA3 GLY A 46 6.271 13.317 -10.427 1.00 0.00 H new ATOM 639 N GLY A 47 3.743 11.676 -9.099 1.00 0.00 N ATOM 640 CA GLY A 47 2.303 11.517 -9.172 1.00 0.00 C ATOM 641 C GLY A 47 1.642 11.585 -7.810 1.00 0.00 C ATOM 642 O GLY A 47 2.293 11.820 -6.792 1.00 0.00 O ATOM 0 H GLY A 47 4.223 10.979 -8.530 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.887 12.294 -9.813 1.00 0.00 H new ATOM 0 HA3 GLY A 47 2.070 10.560 -9.638 1.00 0.00 H new ATOM 646 N PRO A 48 0.318 11.377 -7.779 1.00 0.00 N ATOM 647 CA PRO A 48 -0.460 11.411 -6.537 1.00 0.00 C ATOM 648 C PRO A 48 -0.154 10.226 -5.628 1.00 0.00 C ATOM 649 O PRO A 48 -0.463 10.249 -4.437 1.00 0.00 O ATOM 650 CB PRO A 48 -1.910 11.350 -7.025 1.00 0.00 C ATOM 651 CG PRO A 48 -1.836 10.675 -8.350 1.00 0.00 C ATOM 652 CD PRO A 48 -0.523 11.091 -8.954 1.00 0.00 C ATOM 0 HA PRO A 48 -0.234 12.294 -5.939 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -2.538 10.792 -6.331 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -2.340 12.348 -7.112 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -1.889 9.592 -8.240 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -2.670 10.972 -8.986 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -0.096 10.300 -9.571 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -0.634 11.968 -9.592 1.00 0.00 H new ATOM 660 N ALA A 49 0.456 9.192 -6.197 1.00 0.00 N ATOM 661 CA ALA A 49 0.806 7.998 -5.436 1.00 0.00 C ATOM 662 C ALA A 49 2.092 8.209 -4.645 1.00 0.00 C ATOM 663 O ALA A 49 2.101 8.106 -3.419 1.00 0.00 O ATOM 664 CB ALA A 49 0.946 6.802 -6.366 1.00 0.00 C ATOM 0 H ALA A 49 0.718 9.156 -7.182 1.00 0.00 H new ATOM 0 HA ALA A 49 0.002 7.800 -4.727 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.207 5.918 -5.785 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.002 6.630 -6.883 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.729 7.000 -7.098 1.00 0.00 H new ATOM 670 N GLU A 50 3.177 8.505 -5.355 1.00 0.00 N ATOM 671 CA GLU A 50 4.469 8.728 -4.718 1.00 0.00 C ATOM 672 C GLU A 50 4.434 9.977 -3.841 1.00 0.00 C ATOM 673 O GLU A 50 4.690 9.910 -2.638 1.00 0.00 O ATOM 674 CB GLU A 50 5.567 8.865 -5.775 1.00 0.00 C ATOM 675 CG GLU A 50 6.970 8.669 -5.224 1.00 0.00 C ATOM 676 CD GLU A 50 7.015 7.666 -4.087 1.00 0.00 C ATOM 677 OE1 GLU A 50 6.587 8.019 -2.968 1.00 0.00 O ATOM 678 OE2 GLU A 50 7.479 6.530 -4.316 1.00 0.00 O ATOM 0 H GLU A 50 3.186 8.596 -6.371 1.00 0.00 H new ATOM 0 HA GLU A 50 4.688 7.867 -4.087 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.391 8.136 -6.566 1.00 0.00 H new ATOM 0 HB3 GLU A 50 5.499 9.853 -6.231 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.628 8.333 -6.026 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.356 9.626 -4.875 1.00 0.00 H new ATOM 685 N ARG A 51 4.117 11.113 -4.452 1.00 0.00 N ATOM 686 CA ARG A 51 4.050 12.377 -3.728 1.00 0.00 C ATOM 687 C ARG A 51 3.396 12.188 -2.362 1.00 0.00 C ATOM 688 O ARG A 51 3.827 12.774 -1.370 1.00 0.00 O ATOM 689 CB ARG A 51 3.270 13.413 -4.539 1.00 0.00 C ATOM 690 CG ARG A 51 4.041 13.962 -5.729 1.00 0.00 C ATOM 691 CD ARG A 51 3.487 15.303 -6.181 1.00 0.00 C ATOM 692 NE ARG A 51 4.212 15.835 -7.332 1.00 0.00 N ATOM 693 CZ ARG A 51 4.265 17.128 -7.634 1.00 0.00 C ATOM 694 NH1 ARG A 51 3.640 18.016 -6.874 1.00 0.00 N ATOM 695 NH2 ARG A 51 4.945 17.534 -8.699 1.00 0.00 N ATOM 0 H ARG A 51 3.902 11.185 -5.447 1.00 0.00 H new ATOM 0 HA ARG A 51 5.069 12.735 -3.578 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.344 12.961 -4.894 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.991 14.239 -3.885 1.00 0.00 H new ATOM 0 HG2 ARG A 51 5.092 14.072 -5.463 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.994 13.251 -6.554 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.433 15.192 -6.436 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.543 16.014 -5.357 1.00 0.00 H new ATOM 0 HE ARG A 51 4.705 15.178 -7.937 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.117 17.708 -6.055 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.683 19.008 -7.108 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.427 16.853 -9.286 1.00 0.00 H new ATOM 0 HH22 ARG A 51 4.985 18.527 -8.930 1.00 0.00 H new ATOM 709 N ALA A 52 2.353 11.365 -2.321 1.00 0.00 N ATOM 710 CA ALA A 52 1.641 11.098 -1.077 1.00 0.00 C ATOM 711 C ALA A 52 2.509 10.304 -0.107 1.00 0.00 C ATOM 712 O ALA A 52 2.526 10.576 1.092 1.00 0.00 O ATOM 713 CB ALA A 52 0.345 10.351 -1.361 1.00 0.00 C ATOM 0 H ALA A 52 1.983 10.872 -3.134 1.00 0.00 H new ATOM 0 HA ALA A 52 1.403 12.054 -0.611 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.177 10.158 -0.424 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.288 10.955 -2.011 1.00 0.00 H new ATOM 0 HB3 ALA A 52 0.571 9.404 -1.852 1.00 0.00 H new ATOM 719 N GLY A 53 3.230 9.319 -0.635 1.00 0.00 N ATOM 720 CA GLY A 53 4.090 8.500 0.199 1.00 0.00 C ATOM 721 C GLY A 53 3.966 7.022 -0.116 1.00 0.00 C ATOM 722 O GLY A 53 3.979 6.184 0.787 1.00 0.00 O ATOM 0 H GLY A 53 3.234 9.074 -1.625 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.126 8.812 0.064 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.841 8.667 1.247 1.00 0.00 H new ATOM 726 N LEU A 54 3.843 6.700 -1.399 1.00 0.00 N ATOM 727 CA LEU A 54 3.714 5.312 -1.830 1.00 0.00 C ATOM 728 C LEU A 54 5.069 4.738 -2.229 1.00 0.00 C ATOM 729 O LEU A 54 5.803 5.341 -3.011 1.00 0.00 O ATOM 730 CB LEU A 54 2.739 5.212 -3.005 1.00 0.00 C ATOM 731 CG LEU A 54 2.017 3.874 -3.165 1.00 0.00 C ATOM 732 CD1 LEU A 54 0.796 4.029 -4.059 1.00 0.00 C ATOM 733 CD2 LEU A 54 2.961 2.821 -3.727 1.00 0.00 C ATOM 0 H LEU A 54 3.830 7.381 -2.159 1.00 0.00 H new ATOM 0 HA LEU A 54 3.326 4.731 -0.993 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.989 5.996 -2.897 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.287 5.419 -3.924 1.00 0.00 H new ATOM 0 HG LEU A 54 1.682 3.545 -2.181 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.295 3.066 -4.161 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.109 4.750 -3.615 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.107 4.382 -5.042 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.429 1.876 -3.834 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.327 3.144 -4.702 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.804 2.689 -3.049 1.00 0.00 H new ATOM 745 N GLN A 55 5.393 3.568 -1.686 1.00 0.00 N ATOM 746 CA GLN A 55 6.660 2.912 -1.987 1.00 0.00 C ATOM 747 C GLN A 55 6.450 1.727 -2.924 1.00 0.00 C ATOM 748 O GLN A 55 5.471 0.992 -2.800 1.00 0.00 O ATOM 749 CB GLN A 55 7.335 2.444 -0.696 1.00 0.00 C ATOM 750 CG GLN A 55 8.830 2.209 -0.842 1.00 0.00 C ATOM 751 CD GLN A 55 9.588 2.461 0.445 1.00 0.00 C ATOM 752 OE1 GLN A 55 10.052 1.526 1.100 1.00 0.00 O ATOM 753 NE2 GLN A 55 9.720 3.729 0.817 1.00 0.00 N ATOM 0 H GLN A 55 4.796 3.056 -1.036 1.00 0.00 H new ATOM 0 HA GLN A 55 7.306 3.635 -2.485 1.00 0.00 H new ATOM 0 HB2 GLN A 55 7.167 3.188 0.083 1.00 0.00 H new ATOM 0 HB3 GLN A 55 6.861 1.521 -0.362 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.003 1.183 -1.166 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.222 2.860 -1.623 1.00 0.00 H new ATOM 0 HE21 GLN A 55 9.320 4.473 0.245 1.00 0.00 H new ATOM 0 HE22 GLN A 55 10.221 3.959 1.675 1.00 0.00 H new ATOM 762 N GLN A 56 7.376 1.549 -3.861 1.00 0.00 N ATOM 763 CA GLN A 56 7.291 0.454 -4.819 1.00 0.00 C ATOM 764 C GLN A 56 7.651 -0.874 -4.162 1.00 0.00 C ATOM 765 O GLN A 56 8.341 -0.907 -3.142 1.00 0.00 O ATOM 766 CB GLN A 56 8.217 0.715 -6.008 1.00 0.00 C ATOM 767 CG GLN A 56 7.895 -0.133 -7.229 1.00 0.00 C ATOM 768 CD GLN A 56 8.609 0.347 -8.477 1.00 0.00 C ATOM 769 OE1 GLN A 56 8.230 1.355 -9.074 1.00 0.00 O ATOM 770 NE2 GLN A 56 9.648 -0.375 -8.879 1.00 0.00 N ATOM 0 H GLN A 56 8.193 2.149 -3.977 1.00 0.00 H new ATOM 0 HA GLN A 56 6.262 0.396 -5.174 1.00 0.00 H new ATOM 0 HB2 GLN A 56 8.155 1.768 -6.281 1.00 0.00 H new ATOM 0 HB3 GLN A 56 9.246 0.524 -5.705 1.00 0.00 H new ATOM 0 HG2 GLN A 56 8.173 -1.168 -7.031 1.00 0.00 H new ATOM 0 HG3 GLN A 56 6.819 -0.120 -7.403 1.00 0.00 H new ATOM 0 HE21 GLN A 56 9.927 -1.203 -8.354 1.00 0.00 H new ATOM 0 HE22 GLN A 56 10.167 -0.101 -9.713 1.00 0.00 H new ATOM 779 N LEU A 57 7.180 -1.968 -4.751 1.00 0.00 N ATOM 780 CA LEU A 57 7.452 -3.300 -4.222 1.00 0.00 C ATOM 781 C LEU A 57 6.947 -3.430 -2.789 1.00 0.00 C ATOM 782 O LEU A 57 7.566 -4.099 -1.961 1.00 0.00 O ATOM 783 CB LEU A 57 8.952 -3.595 -4.276 1.00 0.00 C ATOM 784 CG LEU A 57 9.616 -3.451 -5.646 1.00 0.00 C ATOM 785 CD1 LEU A 57 11.125 -3.590 -5.525 1.00 0.00 C ATOM 786 CD2 LEU A 57 9.060 -4.482 -6.618 1.00 0.00 C ATOM 0 H LEU A 57 6.608 -1.959 -5.595 1.00 0.00 H new ATOM 0 HA LEU A 57 6.923 -4.025 -4.841 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.458 -2.929 -3.577 1.00 0.00 H new ATOM 0 HB3 LEU A 57 9.115 -4.613 -3.921 1.00 0.00 H new ATOM 0 HG LEU A 57 9.394 -2.457 -6.034 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.580 -3.485 -6.510 1.00 0.00 H new ATOM 0 HD12 LEU A 57 11.510 -2.815 -4.863 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.368 -4.570 -5.116 1.00 0.00 H new ATOM 0 HD21 LEU A 57 9.543 -4.365 -7.588 1.00 0.00 H new ATOM 0 HD22 LEU A 57 9.252 -5.484 -6.235 1.00 0.00 H new ATOM 0 HD23 LEU A 57 7.985 -4.336 -6.728 1.00 0.00 H new ATOM 798 N ASP A 58 5.820 -2.789 -2.504 1.00 0.00 N ATOM 799 CA ASP A 58 5.230 -2.836 -1.171 1.00 0.00 C ATOM 800 C ASP A 58 4.148 -3.909 -1.093 1.00 0.00 C ATOM 801 O ASP A 58 3.552 -4.280 -2.104 1.00 0.00 O ATOM 802 CB ASP A 58 4.641 -1.473 -0.803 1.00 0.00 C ATOM 803 CG ASP A 58 4.693 -1.203 0.689 1.00 0.00 C ATOM 804 OD1 ASP A 58 4.518 -2.161 1.471 1.00 0.00 O ATOM 805 OD2 ASP A 58 4.909 -0.035 1.073 1.00 0.00 O ATOM 0 H ASP A 58 5.296 -2.230 -3.178 1.00 0.00 H new ATOM 0 HA ASP A 58 6.017 -3.087 -0.460 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.187 -0.690 -1.330 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.606 -1.424 -1.142 1.00 0.00 H new ATOM 810 N THR A 59 3.901 -4.405 0.116 1.00 0.00 N ATOM 811 CA THR A 59 2.893 -5.437 0.326 1.00 0.00 C ATOM 812 C THR A 59 1.603 -4.842 0.878 1.00 0.00 C ATOM 813 O THR A 59 1.594 -4.244 1.954 1.00 0.00 O ATOM 814 CB THR A 59 3.398 -6.526 1.292 1.00 0.00 C ATOM 815 OG1 THR A 59 4.611 -7.100 0.793 1.00 0.00 O ATOM 816 CG2 THR A 59 2.352 -7.616 1.472 1.00 0.00 C ATOM 0 H THR A 59 4.385 -4.109 0.964 1.00 0.00 H new ATOM 0 HA THR A 59 2.694 -5.888 -0.646 1.00 0.00 H new ATOM 0 HB THR A 59 3.588 -6.062 2.260 1.00 0.00 H new ATOM 0 HG1 THR A 59 4.926 -7.790 1.414 1.00 0.00 H new ATOM 0 HG21 THR A 59 2.731 -8.374 2.158 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.440 -7.181 1.880 1.00 0.00 H new ATOM 0 HG23 THR A 59 2.135 -8.075 0.508 1.00 0.00 H new ATOM 824 N VAL A 60 0.514 -5.010 0.135 1.00 0.00 N ATOM 825 CA VAL A 60 -0.783 -4.491 0.552 1.00 0.00 C ATOM 826 C VAL A 60 -1.309 -5.239 1.771 1.00 0.00 C ATOM 827 O VAL A 60 -1.716 -6.398 1.674 1.00 0.00 O ATOM 828 CB VAL A 60 -1.819 -4.590 -0.584 1.00 0.00 C ATOM 829 CG1 VAL A 60 -3.138 -3.962 -0.160 1.00 0.00 C ATOM 830 CG2 VAL A 60 -1.287 -3.932 -1.848 1.00 0.00 C ATOM 0 H VAL A 60 0.504 -5.501 -0.759 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.636 -3.442 0.809 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.999 -5.644 -0.798 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.857 -4.041 -0.975 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.524 -4.483 0.716 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.979 -2.911 0.083 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.031 -4.011 -2.640 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.078 -2.881 -1.650 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.370 -4.432 -2.160 1.00 0.00 H new ATOM 840 N LEU A 61 -1.298 -4.571 2.919 1.00 0.00 N ATOM 841 CA LEU A 61 -1.775 -5.173 4.160 1.00 0.00 C ATOM 842 C LEU A 61 -3.298 -5.128 4.237 1.00 0.00 C ATOM 843 O LEU A 61 -3.956 -6.166 4.293 1.00 0.00 O ATOM 844 CB LEU A 61 -1.171 -4.451 5.365 1.00 0.00 C ATOM 845 CG LEU A 61 0.313 -4.709 5.627 1.00 0.00 C ATOM 846 CD1 LEU A 61 0.757 -4.018 6.907 1.00 0.00 C ATOM 847 CD2 LEU A 61 0.589 -6.204 5.703 1.00 0.00 C ATOM 0 H LEU A 61 -0.964 -3.612 3.017 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.460 -6.216 4.173 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.315 -3.379 5.230 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.732 -4.739 6.254 1.00 0.00 H new ATOM 0 HG LEU A 61 0.886 -4.295 4.797 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.816 -4.213 7.077 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.596 -2.944 6.815 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.178 -4.401 7.747 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.650 -6.369 5.890 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.005 -6.641 6.513 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.309 -6.674 4.760 1.00 0.00 H new ATOM 859 N GLN A 62 -3.850 -3.919 4.236 1.00 0.00 N ATOM 860 CA GLN A 62 -5.295 -3.739 4.305 1.00 0.00 C ATOM 861 C GLN A 62 -5.737 -2.548 3.460 1.00 0.00 C ATOM 862 O GLN A 62 -5.056 -1.523 3.410 1.00 0.00 O ATOM 863 CB GLN A 62 -5.738 -3.543 5.756 1.00 0.00 C ATOM 864 CG GLN A 62 -5.277 -2.227 6.360 1.00 0.00 C ATOM 865 CD GLN A 62 -5.770 -2.031 7.780 1.00 0.00 C ATOM 866 OE1 GLN A 62 -4.980 -1.821 8.700 1.00 0.00 O ATOM 867 NE2 GLN A 62 -7.083 -2.100 7.965 1.00 0.00 N ATOM 0 H GLN A 62 -3.318 -3.050 4.188 1.00 0.00 H new ATOM 0 HA GLN A 62 -5.766 -4.638 3.907 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -6.826 -3.595 5.805 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.352 -4.365 6.359 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -4.188 -2.189 6.349 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -5.631 -1.403 5.740 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -7.701 -2.276 7.173 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -7.474 -1.977 8.899 1.00 0.00 H new ATOM 876 N LEU A 63 -6.879 -2.690 2.798 1.00 0.00 N ATOM 877 CA LEU A 63 -7.412 -1.626 1.954 1.00 0.00 C ATOM 878 C LEU A 63 -8.818 -1.233 2.397 1.00 0.00 C ATOM 879 O LEU A 63 -9.690 -2.085 2.555 1.00 0.00 O ATOM 880 CB LEU A 63 -7.431 -2.069 0.490 1.00 0.00 C ATOM 881 CG LEU A 63 -8.088 -1.102 -0.495 1.00 0.00 C ATOM 882 CD1 LEU A 63 -7.061 -0.129 -1.053 1.00 0.00 C ATOM 883 CD2 LEU A 63 -8.766 -1.868 -1.622 1.00 0.00 C ATOM 0 H LEU A 63 -7.454 -3.532 2.829 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.762 -0.756 2.055 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.403 -2.240 0.170 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -7.948 -3.027 0.428 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.848 -0.531 0.038 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -7.547 0.552 -1.752 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.621 0.443 -0.236 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.278 -0.683 -1.571 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.228 -1.164 -2.314 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -8.025 -2.465 -2.153 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.531 -2.524 -1.207 1.00 0.00 H new ATOM 895 N ASN A 64 -9.030 0.065 2.592 1.00 0.00 N ATOM 896 CA ASN A 64 -10.330 0.571 3.015 1.00 0.00 C ATOM 897 C ASN A 64 -10.700 0.037 4.395 1.00 0.00 C ATOM 898 O ASN A 64 -11.761 -0.559 4.577 1.00 0.00 O ATOM 899 CB ASN A 64 -11.407 0.181 2.000 1.00 0.00 C ATOM 900 CG ASN A 64 -10.946 0.369 0.567 1.00 0.00 C ATOM 901 OD1 ASN A 64 -11.168 -0.490 -0.286 1.00 0.00 O ATOM 902 ND2 ASN A 64 -10.299 1.497 0.297 1.00 0.00 N ATOM 0 H ASN A 64 -8.318 0.784 2.464 1.00 0.00 H new ATOM 0 HA ASN A 64 -10.268 1.658 3.071 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -11.688 -0.861 2.155 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -12.300 0.781 2.173 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -9.964 1.679 -0.649 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -10.137 2.181 1.036 1.00 0.00 H new ATOM 909 N GLU A 65 -9.817 0.256 5.365 1.00 0.00 N ATOM 910 CA GLU A 65 -10.052 -0.203 6.728 1.00 0.00 C ATOM 911 C GLU A 65 -10.544 -1.648 6.739 1.00 0.00 C ATOM 912 O GLU A 65 -11.265 -2.062 7.646 1.00 0.00 O ATOM 913 CB GLU A 65 -11.071 0.699 7.427 1.00 0.00 C ATOM 914 CG GLU A 65 -12.458 0.642 6.809 1.00 0.00 C ATOM 915 CD GLU A 65 -13.502 1.346 7.654 1.00 0.00 C ATOM 916 OE1 GLU A 65 -13.822 0.836 8.749 1.00 0.00 O ATOM 917 OE2 GLU A 65 -13.999 2.406 7.221 1.00 0.00 O ATOM 0 H GLU A 65 -8.934 0.748 5.232 1.00 0.00 H new ATOM 0 HA GLU A 65 -9.106 -0.155 7.267 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -11.138 0.412 8.477 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -10.712 1.728 7.400 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -12.430 1.097 5.819 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -12.748 -0.400 6.672 1.00 0.00 H new ATOM 924 N ARG A 66 -10.149 -2.408 5.723 1.00 0.00 N ATOM 925 CA ARG A 66 -10.551 -3.805 5.614 1.00 0.00 C ATOM 926 C ARG A 66 -9.353 -4.692 5.285 1.00 0.00 C ATOM 927 O ARG A 66 -8.451 -4.307 4.541 1.00 0.00 O ATOM 928 CB ARG A 66 -11.628 -3.966 4.539 1.00 0.00 C ATOM 929 CG ARG A 66 -12.997 -3.465 4.969 1.00 0.00 C ATOM 930 CD ARG A 66 -14.107 -4.114 4.158 1.00 0.00 C ATOM 931 NE ARG A 66 -15.349 -3.347 4.219 1.00 0.00 N ATOM 932 CZ ARG A 66 -16.243 -3.473 5.194 1.00 0.00 C ATOM 933 NH1 ARG A 66 -16.033 -4.329 6.184 1.00 0.00 N ATOM 934 NH2 ARG A 66 -17.349 -2.740 5.180 1.00 0.00 N ATOM 0 H ARG A 66 -9.551 -2.080 4.964 1.00 0.00 H new ATOM 0 HA ARG A 66 -10.958 -4.115 6.576 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -11.318 -3.428 3.643 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -11.704 -5.019 4.268 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -13.147 -3.676 6.028 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -13.043 -2.382 4.850 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -13.790 -4.208 3.119 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -14.285 -5.123 4.530 1.00 0.00 H new ATOM 0 HE ARG A 66 -15.540 -2.679 3.473 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -15.183 -4.893 6.199 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -16.721 -4.424 6.931 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -17.513 -2.079 4.420 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -18.035 -2.837 5.929 1.00 0.00 H new ATOM 948 N PRO A 67 -9.342 -5.907 5.851 1.00 0.00 N ATOM 949 CA PRO A 67 -8.261 -6.873 5.633 1.00 0.00 C ATOM 950 C PRO A 67 -8.258 -7.428 4.213 1.00 0.00 C ATOM 951 O PRO A 67 -9.280 -7.906 3.720 1.00 0.00 O ATOM 952 CB PRO A 67 -8.570 -7.984 6.640 1.00 0.00 C ATOM 953 CG PRO A 67 -10.039 -7.891 6.869 1.00 0.00 C ATOM 954 CD PRO A 67 -10.385 -6.432 6.749 1.00 0.00 C ATOM 0 HA PRO A 67 -7.278 -6.421 5.764 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -8.292 -8.962 6.248 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -8.015 -7.843 7.568 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -10.587 -8.484 6.136 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -10.306 -8.276 7.853 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -11.382 -6.288 6.334 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -10.369 -5.934 7.718 1.00 0.00 H new ATOM 962 N VAL A 68 -7.102 -7.361 3.559 1.00 0.00 N ATOM 963 CA VAL A 68 -6.966 -7.858 2.195 1.00 0.00 C ATOM 964 C VAL A 68 -5.715 -8.716 2.046 1.00 0.00 C ATOM 965 O VAL A 68 -5.177 -8.861 0.949 1.00 0.00 O ATOM 966 CB VAL A 68 -6.906 -6.702 1.179 1.00 0.00 C ATOM 967 CG1 VAL A 68 -8.172 -5.863 1.250 1.00 0.00 C ATOM 968 CG2 VAL A 68 -5.674 -5.843 1.422 1.00 0.00 C ATOM 0 H VAL A 68 -6.247 -6.968 3.952 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.847 -8.466 1.990 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.834 -7.125 0.177 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.112 -5.051 0.525 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -9.036 -6.488 1.024 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.277 -5.448 2.252 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.647 -5.031 0.695 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.713 -5.428 2.429 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.778 -6.454 1.316 1.00 0.00 H new ATOM 978 N GLU A 69 -5.257 -9.284 3.158 1.00 0.00 N ATOM 979 CA GLU A 69 -4.068 -10.128 3.150 1.00 0.00 C ATOM 980 C GLU A 69 -4.305 -11.395 2.332 1.00 0.00 C ATOM 981 O GLU A 69 -3.372 -11.968 1.770 1.00 0.00 O ATOM 982 CB GLU A 69 -3.669 -10.498 4.580 1.00 0.00 C ATOM 983 CG GLU A 69 -2.801 -9.452 5.259 1.00 0.00 C ATOM 984 CD GLU A 69 -2.456 -9.820 6.689 1.00 0.00 C ATOM 985 OE1 GLU A 69 -3.271 -9.527 7.589 1.00 0.00 O ATOM 986 OE2 GLU A 69 -1.373 -10.400 6.909 1.00 0.00 O ATOM 0 H GLU A 69 -5.691 -9.175 4.075 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.257 -9.565 2.688 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.571 -10.650 5.172 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.134 -11.448 4.565 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.881 -9.323 4.689 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.319 -8.493 5.249 1.00 0.00 H new ATOM 993 N HIS A 70 -5.561 -11.826 2.272 1.00 0.00 N ATOM 994 CA HIS A 70 -5.923 -13.025 1.524 1.00 0.00 C ATOM 995 C HIS A 70 -6.654 -12.661 0.235 1.00 0.00 C ATOM 996 O HIS A 70 -7.438 -13.452 -0.289 1.00 0.00 O ATOM 997 CB HIS A 70 -6.798 -13.941 2.379 1.00 0.00 C ATOM 998 CG HIS A 70 -6.081 -14.524 3.558 1.00 0.00 C ATOM 999 ND1 HIS A 70 -5.351 -15.692 3.493 1.00 0.00 N ATOM 1000 CD2 HIS A 70 -5.985 -14.093 4.838 1.00 0.00 C ATOM 1001 CE1 HIS A 70 -4.837 -15.955 4.681 1.00 0.00 C ATOM 1002 NE2 HIS A 70 -5.207 -14.999 5.515 1.00 0.00 N ATOM 0 H HIS A 70 -6.345 -11.363 2.732 1.00 0.00 H new ATOM 0 HA HIS A 70 -5.005 -13.552 1.264 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -7.663 -13.379 2.732 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.177 -14.752 1.757 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -6.436 -13.202 5.250 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -4.220 -16.806 4.929 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -4.955 -14.943 6.502 1.00 0.00 H new ATOM 1011 N TRP A 71 -6.393 -11.461 -0.269 1.00 0.00 N ATOM 1012 CA TRP A 71 -7.027 -10.992 -1.496 1.00 0.00 C ATOM 1013 C TRP A 71 -6.037 -10.993 -2.655 1.00 0.00 C ATOM 1014 O TRP A 71 -4.867 -10.648 -2.486 1.00 0.00 O ATOM 1015 CB TRP A 71 -7.596 -9.587 -1.296 1.00 0.00 C ATOM 1016 CG TRP A 71 -8.778 -9.550 -0.375 1.00 0.00 C ATOM 1017 CD1 TRP A 71 -9.132 -10.497 0.543 1.00 0.00 C ATOM 1018 CD2 TRP A 71 -9.763 -8.514 -0.285 1.00 0.00 C ATOM 1019 NE1 TRP A 71 -10.277 -10.113 1.198 1.00 0.00 N ATOM 1020 CE2 TRP A 71 -10.683 -8.900 0.709 1.00 0.00 C ATOM 1021 CE3 TRP A 71 -9.955 -7.298 -0.946 1.00 0.00 C ATOM 1022 CZ2 TRP A 71 -11.778 -8.112 1.055 1.00 0.00 C ATOM 1023 CZ3 TRP A 71 -11.042 -6.518 -0.602 1.00 0.00 C ATOM 1024 CH2 TRP A 71 -11.942 -6.926 0.391 1.00 0.00 C ATOM 0 H TRP A 71 -5.746 -10.794 0.153 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.842 -11.675 -1.738 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -6.814 -8.940 -0.899 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -7.886 -9.179 -2.264 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -8.591 -11.413 0.727 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -10.748 -10.645 1.930 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -9.266 -6.974 -1.712 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -12.473 -8.425 1.820 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -11.201 -5.577 -1.108 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -12.781 -6.293 0.638 1.00 0.00 H new ATOM 1035 N LYS A 72 -6.512 -11.381 -3.833 1.00 0.00 N ATOM 1036 CA LYS A 72 -5.669 -11.426 -5.022 1.00 0.00 C ATOM 1037 C LYS A 72 -5.782 -10.129 -5.818 1.00 0.00 C ATOM 1038 O LYS A 72 -6.434 -9.178 -5.384 1.00 0.00 O ATOM 1039 CB LYS A 72 -6.058 -12.614 -5.905 1.00 0.00 C ATOM 1040 CG LYS A 72 -5.969 -13.954 -5.195 1.00 0.00 C ATOM 1041 CD LYS A 72 -6.418 -15.092 -6.095 1.00 0.00 C ATOM 1042 CE LYS A 72 -5.305 -15.533 -7.033 1.00 0.00 C ATOM 1043 NZ LYS A 72 -4.325 -16.424 -6.352 1.00 0.00 N ATOM 0 H LYS A 72 -7.478 -11.669 -3.990 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.635 -11.545 -4.699 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.077 -12.470 -6.265 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -5.410 -12.633 -6.781 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -4.943 -14.128 -4.871 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -6.587 -13.933 -4.297 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.736 -15.937 -5.484 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -7.283 -14.776 -6.678 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -5.736 -16.054 -7.888 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -4.789 -14.655 -7.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.583 -16.702 -7.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.895 -15.919 -5.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -4.812 -17.274 -6.003 1.00 0.00 H new ATOM 1057 N CYS A 73 -5.146 -10.098 -6.983 1.00 0.00 N ATOM 1058 CA CYS A 73 -5.176 -8.918 -7.840 1.00 0.00 C ATOM 1059 C CYS A 73 -6.577 -8.686 -8.397 1.00 0.00 C ATOM 1060 O CYS A 73 -7.003 -7.546 -8.579 1.00 0.00 O ATOM 1061 CB CYS A 73 -4.176 -9.070 -8.988 1.00 0.00 C ATOM 1062 SG CYS A 73 -4.508 -10.476 -10.074 1.00 0.00 S ATOM 0 H CYS A 73 -4.603 -10.876 -7.356 1.00 0.00 H new ATOM 0 HA CYS A 73 -4.897 -8.054 -7.237 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -4.180 -8.156 -9.583 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -3.174 -9.175 -8.572 1.00 0.00 H new ATOM 0 HG CYS A 73 -3.611 -10.519 -11.014 1.00 0.00 H new ATOM 1068 N VAL A 74 -7.288 -9.776 -8.668 1.00 0.00 N ATOM 1069 CA VAL A 74 -8.641 -9.692 -9.205 1.00 0.00 C ATOM 1070 C VAL A 74 -9.648 -9.365 -8.108 1.00 0.00 C ATOM 1071 O VAL A 74 -10.588 -8.600 -8.323 1.00 0.00 O ATOM 1072 CB VAL A 74 -9.055 -11.007 -9.892 1.00 0.00 C ATOM 1073 CG1 VAL A 74 -8.280 -11.200 -11.187 1.00 0.00 C ATOM 1074 CG2 VAL A 74 -8.845 -12.186 -8.954 1.00 0.00 C ATOM 0 H VAL A 74 -6.950 -10.727 -8.524 1.00 0.00 H new ATOM 0 HA VAL A 74 -8.639 -8.890 -9.943 1.00 0.00 H new ATOM 0 HB VAL A 74 -10.116 -10.951 -10.137 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -8.586 -12.134 -11.658 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -8.486 -10.369 -11.862 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -7.212 -11.235 -10.970 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -9.142 -13.107 -9.455 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -7.793 -12.247 -8.677 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -9.449 -12.050 -8.057 1.00 0.00 H new ATOM 1084 N GLU A 75 -9.445 -9.951 -6.932 1.00 0.00 N ATOM 1085 CA GLU A 75 -10.337 -9.722 -5.802 1.00 0.00 C ATOM 1086 C GLU A 75 -10.123 -8.329 -5.214 1.00 0.00 C ATOM 1087 O GLU A 75 -11.075 -7.666 -4.798 1.00 0.00 O ATOM 1088 CB GLU A 75 -10.111 -10.783 -4.722 1.00 0.00 C ATOM 1089 CG GLU A 75 -10.766 -12.118 -5.035 1.00 0.00 C ATOM 1090 CD GLU A 75 -12.252 -12.124 -4.734 1.00 0.00 C ATOM 1091 OE1 GLU A 75 -12.646 -11.582 -3.680 1.00 0.00 O ATOM 1092 OE2 GLU A 75 -13.020 -12.672 -5.552 1.00 0.00 O ATOM 0 H GLU A 75 -8.672 -10.587 -6.738 1.00 0.00 H new ATOM 0 HA GLU A 75 -11.363 -9.793 -6.162 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -9.039 -10.935 -4.592 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -10.498 -10.412 -3.773 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -10.611 -12.356 -6.087 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.279 -12.902 -4.456 1.00 0.00 H new ATOM 1099 N LEU A 76 -8.869 -7.893 -5.182 1.00 0.00 N ATOM 1100 CA LEU A 76 -8.529 -6.580 -4.645 1.00 0.00 C ATOM 1101 C LEU A 76 -8.920 -5.475 -5.621 1.00 0.00 C ATOM 1102 O LEU A 76 -9.769 -4.638 -5.318 1.00 0.00 O ATOM 1103 CB LEU A 76 -7.032 -6.503 -4.342 1.00 0.00 C ATOM 1104 CG LEU A 76 -6.559 -5.249 -3.607 1.00 0.00 C ATOM 1105 CD1 LEU A 76 -7.496 -4.920 -2.455 1.00 0.00 C ATOM 1106 CD2 LEU A 76 -5.135 -5.431 -3.103 1.00 0.00 C ATOM 0 H LEU A 76 -8.071 -8.429 -5.522 1.00 0.00 H new ATOM 0 HA LEU A 76 -9.088 -6.437 -3.720 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.757 -7.374 -3.747 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.487 -6.575 -5.283 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.571 -4.414 -4.308 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -7.143 -4.024 -1.944 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -8.500 -4.746 -2.841 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.517 -5.754 -1.753 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.815 -4.528 -2.582 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.097 -6.278 -2.418 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.471 -5.617 -3.947 1.00 0.00 H new ATOM 1118 N ALA A 77 -8.295 -5.480 -6.794 1.00 0.00 N ATOM 1119 CA ALA A 77 -8.580 -4.481 -7.816 1.00 0.00 C ATOM 1120 C ALA A 77 -10.042 -4.051 -7.770 1.00 0.00 C ATOM 1121 O ALA A 77 -10.358 -2.872 -7.934 1.00 0.00 O ATOM 1122 CB ALA A 77 -8.229 -5.022 -9.194 1.00 0.00 C ATOM 0 H ALA A 77 -7.588 -6.165 -7.060 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.965 -3.604 -7.615 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -8.447 -4.266 -9.948 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.169 -5.273 -9.227 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -8.820 -5.916 -9.395 1.00 0.00 H new ATOM 1128 N HIS A 78 -10.931 -5.014 -7.547 1.00 0.00 N ATOM 1129 CA HIS A 78 -12.361 -4.734 -7.480 1.00 0.00 C ATOM 1130 C HIS A 78 -12.641 -3.560 -6.548 1.00 0.00 C ATOM 1131 O HIS A 78 -13.317 -2.604 -6.925 1.00 0.00 O ATOM 1132 CB HIS A 78 -13.122 -5.972 -7.005 1.00 0.00 C ATOM 1133 CG HIS A 78 -14.569 -5.970 -7.392 1.00 0.00 C ATOM 1134 ND1 HIS A 78 -15.293 -7.124 -7.605 1.00 0.00 N ATOM 1135 CD2 HIS A 78 -15.428 -4.945 -7.602 1.00 0.00 C ATOM 1136 CE1 HIS A 78 -16.534 -6.809 -7.932 1.00 0.00 C ATOM 1137 NE2 HIS A 78 -16.642 -5.493 -7.936 1.00 0.00 N ATOM 0 H HIS A 78 -10.686 -5.995 -7.410 1.00 0.00 H new ATOM 0 HA HIS A 78 -12.703 -4.469 -8.481 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -12.645 -6.862 -7.417 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -13.045 -6.042 -5.920 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -15.201 -3.892 -7.522 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -17.325 -7.509 -8.158 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -17.490 -4.969 -8.152 1.00 0.00 H new ATOM 1146 N GLU A 79 -12.118 -3.640 -5.328 1.00 0.00 N ATOM 1147 CA GLU A 79 -12.314 -2.585 -4.342 1.00 0.00 C ATOM 1148 C GLU A 79 -11.664 -1.283 -4.802 1.00 0.00 C ATOM 1149 O GLU A 79 -12.262 -0.211 -4.707 1.00 0.00 O ATOM 1150 CB GLU A 79 -11.737 -3.006 -2.989 1.00 0.00 C ATOM 1151 CG GLU A 79 -12.692 -3.842 -2.153 1.00 0.00 C ATOM 1152 CD GLU A 79 -14.091 -3.258 -2.108 1.00 0.00 C ATOM 1153 OE1 GLU A 79 -14.219 -2.041 -1.861 1.00 0.00 O ATOM 1154 OE2 GLU A 79 -15.058 -4.020 -2.321 1.00 0.00 O ATOM 0 H GLU A 79 -11.555 -4.425 -5.000 1.00 0.00 H new ATOM 0 HA GLU A 79 -13.386 -2.418 -4.235 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.821 -3.573 -3.155 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -11.462 -2.113 -2.427 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -12.737 -4.852 -2.560 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -12.304 -3.924 -1.138 1.00 0.00 H new ATOM 1161 N ILE A 80 -10.436 -1.385 -5.299 1.00 0.00 N ATOM 1162 CA ILE A 80 -9.705 -0.217 -5.773 1.00 0.00 C ATOM 1163 C ILE A 80 -10.496 0.531 -6.840 1.00 0.00 C ATOM 1164 O ILE A 80 -10.521 1.762 -6.861 1.00 0.00 O ATOM 1165 CB ILE A 80 -8.331 -0.609 -6.350 1.00 0.00 C ATOM 1166 CG1 ILE A 80 -7.474 -1.277 -5.273 1.00 0.00 C ATOM 1167 CG2 ILE A 80 -7.625 0.615 -6.913 1.00 0.00 C ATOM 1168 CD1 ILE A 80 -6.242 -1.963 -5.822 1.00 0.00 C ATOM 0 H ILE A 80 -9.927 -2.265 -5.384 1.00 0.00 H new ATOM 0 HA ILE A 80 -9.557 0.433 -4.911 1.00 0.00 H new ATOM 0 HB ILE A 80 -8.483 -1.322 -7.161 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -7.168 -0.525 -4.545 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -8.080 -2.009 -4.739 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.656 0.322 -7.317 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -8.232 1.052 -7.706 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.481 1.349 -6.120 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.682 -2.415 -5.003 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.541 -2.738 -6.528 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.614 -1.231 -6.331 1.00 0.00 H new ATOM 1180 N ARG A 81 -11.145 -0.220 -7.724 1.00 0.00 N ATOM 1181 CA ARG A 81 -11.939 0.372 -8.794 1.00 0.00 C ATOM 1182 C ARG A 81 -13.276 0.879 -8.262 1.00 0.00 C ATOM 1183 O ARG A 81 -13.866 1.805 -8.819 1.00 0.00 O ATOM 1184 CB ARG A 81 -12.176 -0.650 -9.908 1.00 0.00 C ATOM 1185 CG ARG A 81 -13.172 -1.736 -9.536 1.00 0.00 C ATOM 1186 CD ARG A 81 -13.883 -2.283 -10.763 1.00 0.00 C ATOM 1187 NE ARG A 81 -12.987 -3.062 -11.614 1.00 0.00 N ATOM 1188 CZ ARG A 81 -13.403 -4.005 -12.451 1.00 0.00 C ATOM 1189 NH1 ARG A 81 -14.695 -4.286 -12.549 1.00 0.00 N ATOM 1190 NH2 ARG A 81 -12.526 -4.671 -13.192 1.00 0.00 N ATOM 0 H ARG A 81 -11.136 -1.240 -7.720 1.00 0.00 H new ATOM 0 HA ARG A 81 -11.384 1.218 -9.199 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -12.533 -0.130 -10.797 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -11.226 -1.115 -10.171 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -12.654 -2.546 -9.023 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -13.906 -1.334 -8.838 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -14.719 -2.908 -10.449 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -14.301 -1.457 -11.338 1.00 0.00 H new ATOM 0 HE ARG A 81 -11.986 -2.871 -11.562 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -15.372 -3.777 -11.981 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -15.012 -5.011 -13.193 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -11.531 -4.459 -13.119 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -12.847 -5.395 -13.835 1.00 0.00 H new ATOM 1204 N SER A 82 -13.747 0.267 -7.180 1.00 0.00 N ATOM 1205 CA SER A 82 -15.016 0.653 -6.575 1.00 0.00 C ATOM 1206 C SER A 82 -15.121 2.171 -6.456 1.00 0.00 C ATOM 1207 O SER A 82 -16.131 2.766 -6.836 1.00 0.00 O ATOM 1208 CB SER A 82 -15.164 0.011 -5.195 1.00 0.00 C ATOM 1209 OG SER A 82 -14.460 0.748 -4.211 1.00 0.00 O ATOM 0 H SER A 82 -13.269 -0.498 -6.705 1.00 0.00 H new ATOM 0 HA SER A 82 -15.820 0.299 -7.220 1.00 0.00 H new ATOM 0 HB2 SER A 82 -16.219 -0.043 -4.927 1.00 0.00 H new ATOM 0 HB3 SER A 82 -14.789 -1.012 -5.225 1.00 0.00 H new ATOM 0 HG SER A 82 -13.514 0.493 -4.226 1.00 0.00 H new ATOM 1215 N CYS A 83 -14.072 2.790 -5.926 1.00 0.00 N ATOM 1216 CA CYS A 83 -14.045 4.239 -5.756 1.00 0.00 C ATOM 1217 C CYS A 83 -12.933 4.864 -6.591 1.00 0.00 C ATOM 1218 O CYS A 83 -11.760 4.851 -6.217 1.00 0.00 O ATOM 1219 CB CYS A 83 -13.855 4.596 -4.281 1.00 0.00 C ATOM 1220 SG CYS A 83 -15.312 4.295 -3.254 1.00 0.00 S ATOM 0 H CYS A 83 -13.229 2.312 -5.607 1.00 0.00 H new ATOM 0 HA CYS A 83 -14.999 4.639 -6.099 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -13.019 4.020 -3.884 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -13.582 5.649 -4.205 1.00 0.00 H new ATOM 0 HG CYS A 83 -15.052 4.625 -2.024 1.00 0.00 H new ATOM 1226 N PRO A 84 -13.307 5.424 -7.751 1.00 0.00 N ATOM 1227 CA PRO A 84 -12.356 6.063 -8.664 1.00 0.00 C ATOM 1228 C PRO A 84 -11.800 7.367 -8.102 1.00 0.00 C ATOM 1229 O PRO A 84 -10.586 7.573 -8.071 1.00 0.00 O ATOM 1230 CB PRO A 84 -13.194 6.336 -9.916 1.00 0.00 C ATOM 1231 CG PRO A 84 -14.596 6.427 -9.421 1.00 0.00 C ATOM 1232 CD PRO A 84 -14.688 5.475 -8.260 1.00 0.00 C ATOM 0 HA PRO A 84 -11.483 5.436 -8.847 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -12.886 7.260 -10.405 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -13.084 5.536 -10.648 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -14.835 7.444 -9.111 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -15.305 6.157 -10.204 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -15.383 5.833 -7.501 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -15.037 4.491 -8.574 1.00 0.00 H new ATOM 1240 N SER A 85 -12.694 8.244 -7.658 1.00 0.00 N ATOM 1241 CA SER A 85 -12.292 9.530 -7.099 1.00 0.00 C ATOM 1242 C SER A 85 -11.047 9.379 -6.231 1.00 0.00 C ATOM 1243 O SER A 85 -9.962 9.826 -6.601 1.00 0.00 O ATOM 1244 CB SER A 85 -13.433 10.131 -6.275 1.00 0.00 C ATOM 1245 OG SER A 85 -14.340 10.840 -7.101 1.00 0.00 O ATOM 0 H SER A 85 -13.702 8.088 -7.674 1.00 0.00 H new ATOM 0 HA SER A 85 -12.058 10.201 -7.926 1.00 0.00 H new ATOM 0 HB2 SER A 85 -13.961 9.337 -5.747 1.00 0.00 H new ATOM 0 HB3 SER A 85 -13.025 10.801 -5.518 1.00 0.00 H new ATOM 0 HG SER A 85 -15.060 11.213 -6.551 1.00 0.00 H new ATOM 1251 N GLU A 86 -11.213 8.747 -5.074 1.00 0.00 N ATOM 1252 CA GLU A 86 -10.103 8.538 -4.152 1.00 0.00 C ATOM 1253 C GLU A 86 -10.170 7.148 -3.524 1.00 0.00 C ATOM 1254 O GLU A 86 -11.226 6.515 -3.506 1.00 0.00 O ATOM 1255 CB GLU A 86 -10.113 9.605 -3.056 1.00 0.00 C ATOM 1256 CG GLU A 86 -8.853 9.619 -2.207 1.00 0.00 C ATOM 1257 CD GLU A 86 -8.728 10.875 -1.367 1.00 0.00 C ATOM 1258 OE1 GLU A 86 -9.598 11.098 -0.499 1.00 0.00 O ATOM 1259 OE2 GLU A 86 -7.761 11.636 -1.578 1.00 0.00 O ATOM 0 H GLU A 86 -12.105 8.371 -4.753 1.00 0.00 H new ATOM 0 HA GLU A 86 -9.175 8.617 -4.718 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -10.242 10.585 -3.516 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -10.975 9.441 -2.409 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -8.851 8.747 -1.553 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -7.981 9.532 -2.856 1.00 0.00 H new ATOM 1266 N ILE A 87 -9.037 6.681 -3.012 1.00 0.00 N ATOM 1267 CA ILE A 87 -8.967 5.368 -2.384 1.00 0.00 C ATOM 1268 C ILE A 87 -7.999 5.373 -1.206 1.00 0.00 C ATOM 1269 O ILE A 87 -7.062 6.171 -1.163 1.00 0.00 O ATOM 1270 CB ILE A 87 -8.529 4.286 -3.389 1.00 0.00 C ATOM 1271 CG1 ILE A 87 -7.173 4.644 -3.999 1.00 0.00 C ATOM 1272 CG2 ILE A 87 -9.578 4.119 -4.478 1.00 0.00 C ATOM 1273 CD1 ILE A 87 -6.372 3.439 -4.439 1.00 0.00 C ATOM 0 H ILE A 87 -8.155 7.193 -3.020 1.00 0.00 H new ATOM 0 HA ILE A 87 -9.970 5.136 -2.026 1.00 0.00 H new ATOM 0 HB ILE A 87 -8.429 3.339 -2.859 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -7.331 5.298 -4.856 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -6.593 5.209 -3.269 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -9.254 3.351 -5.180 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -10.526 3.823 -4.028 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -9.707 5.063 -5.007 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -5.423 3.768 -4.862 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -6.183 2.794 -3.581 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -6.932 2.885 -5.192 1.00 0.00 H new ATOM 1285 N ILE A 88 -8.231 4.476 -0.253 1.00 0.00 N ATOM 1286 CA ILE A 88 -7.377 4.376 0.925 1.00 0.00 C ATOM 1287 C ILE A 88 -6.756 2.988 1.036 1.00 0.00 C ATOM 1288 O ILE A 88 -7.449 2.004 1.300 1.00 0.00 O ATOM 1289 CB ILE A 88 -8.161 4.680 2.215 1.00 0.00 C ATOM 1290 CG1 ILE A 88 -8.764 6.084 2.152 1.00 0.00 C ATOM 1291 CG2 ILE A 88 -7.255 4.541 3.430 1.00 0.00 C ATOM 1292 CD1 ILE A 88 -9.770 6.359 3.248 1.00 0.00 C ATOM 0 H ILE A 88 -9.002 3.809 -0.273 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.586 5.117 0.807 1.00 0.00 H new ATOM 0 HB ILE A 88 -8.974 3.960 2.307 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -7.961 6.819 2.214 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -9.247 6.220 1.184 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -7.823 4.759 4.334 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -6.868 3.523 3.481 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -6.424 5.241 3.346 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -10.156 7.373 3.141 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -10.592 5.648 3.174 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -9.287 6.255 4.220 1.00 0.00 H new ATOM 1304 N LEU A 89 -5.445 2.915 0.834 1.00 0.00 N ATOM 1305 CA LEU A 89 -4.727 1.647 0.913 1.00 0.00 C ATOM 1306 C LEU A 89 -3.592 1.726 1.929 1.00 0.00 C ATOM 1307 O LEU A 89 -2.856 2.713 1.977 1.00 0.00 O ATOM 1308 CB LEU A 89 -4.173 1.265 -0.460 1.00 0.00 C ATOM 1309 CG LEU A 89 -3.204 2.264 -1.094 1.00 0.00 C ATOM 1310 CD1 LEU A 89 -2.294 1.565 -2.093 1.00 0.00 C ATOM 1311 CD2 LEU A 89 -3.968 3.395 -1.767 1.00 0.00 C ATOM 0 H LEU A 89 -4.857 3.719 0.614 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.429 0.880 1.240 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.666 0.304 -0.371 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -5.012 1.121 -1.141 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.584 2.690 -0.305 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.612 2.292 -2.534 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -1.720 0.791 -1.583 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.897 1.111 -2.879 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.262 4.096 -2.213 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.613 2.986 -2.545 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -4.577 3.914 -1.027 1.00 0.00 H new ATOM 1323 N LEU A 90 -3.454 0.681 2.737 1.00 0.00 N ATOM 1324 CA LEU A 90 -2.406 0.631 3.751 1.00 0.00 C ATOM 1325 C LEU A 90 -1.349 -0.408 3.390 1.00 0.00 C ATOM 1326 O LEU A 90 -1.672 -1.551 3.065 1.00 0.00 O ATOM 1327 CB LEU A 90 -3.009 0.309 5.119 1.00 0.00 C ATOM 1328 CG LEU A 90 -2.011 0.084 6.256 1.00 0.00 C ATOM 1329 CD1 LEU A 90 -1.274 1.374 6.582 1.00 0.00 C ATOM 1330 CD2 LEU A 90 -2.720 -0.454 7.490 1.00 0.00 C ATOM 0 H LEU A 90 -4.054 -0.143 2.710 1.00 0.00 H new ATOM 0 HA LEU A 90 -1.927 1.609 3.793 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -3.674 1.125 5.402 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.625 -0.585 5.021 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.280 -0.656 5.931 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.568 1.195 7.393 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -0.733 1.717 5.700 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -1.991 2.136 6.887 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -1.994 -0.608 8.288 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.474 0.262 7.818 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.201 -1.402 7.249 1.00 0.00 H new ATOM 1342 N VAL A 91 -0.084 -0.004 3.452 1.00 0.00 N ATOM 1343 CA VAL A 91 1.021 -0.901 3.136 1.00 0.00 C ATOM 1344 C VAL A 91 2.058 -0.911 4.253 1.00 0.00 C ATOM 1345 O VAL A 91 2.002 -0.094 5.173 1.00 0.00 O ATOM 1346 CB VAL A 91 1.708 -0.501 1.816 1.00 0.00 C ATOM 1347 CG1 VAL A 91 0.745 -0.644 0.648 1.00 0.00 C ATOM 1348 CG2 VAL A 91 2.244 0.920 1.905 1.00 0.00 C ATOM 0 H VAL A 91 0.201 0.939 3.718 1.00 0.00 H new ATOM 0 HA VAL A 91 0.597 -1.900 3.029 1.00 0.00 H new ATOM 0 HB VAL A 91 2.549 -1.173 1.646 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.248 -0.357 -0.275 1.00 0.00 H new ATOM 0 HG12 VAL A 91 0.414 -1.680 0.574 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.118 0.002 0.807 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.726 1.187 0.964 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.421 1.608 2.099 1.00 0.00 H new ATOM 0 HG23 VAL A 91 2.970 0.985 2.716 1.00 0.00 H new ATOM 1358 N TRP A 92 3.003 -1.840 4.167 1.00 0.00 N ATOM 1359 CA TRP A 92 4.054 -1.956 5.171 1.00 0.00 C ATOM 1360 C TRP A 92 5.362 -1.362 4.661 1.00 0.00 C ATOM 1361 O TRP A 92 5.745 -1.575 3.511 1.00 0.00 O ATOM 1362 CB TRP A 92 4.261 -3.422 5.556 1.00 0.00 C ATOM 1363 CG TRP A 92 5.409 -3.633 6.496 1.00 0.00 C ATOM 1364 CD1 TRP A 92 6.703 -3.911 6.160 1.00 0.00 C ATOM 1365 CD2 TRP A 92 5.365 -3.585 7.926 1.00 0.00 C ATOM 1366 NE1 TRP A 92 7.466 -4.039 7.295 1.00 0.00 N ATOM 1367 CE2 TRP A 92 6.669 -3.843 8.392 1.00 0.00 C ATOM 1368 CE3 TRP A 92 4.351 -3.348 8.859 1.00 0.00 C ATOM 1369 CZ2 TRP A 92 6.983 -3.871 9.748 1.00 0.00 C ATOM 1370 CZ3 TRP A 92 4.664 -3.377 10.204 1.00 0.00 C ATOM 1371 CH2 TRP A 92 5.971 -3.635 10.639 1.00 0.00 C ATOM 0 H TRP A 92 3.063 -2.524 3.413 1.00 0.00 H new ATOM 0 HA TRP A 92 3.742 -1.397 6.053 1.00 0.00 H new ATOM 0 HB2 TRP A 92 3.349 -3.801 6.017 1.00 0.00 H new ATOM 0 HB3 TRP A 92 4.429 -4.007 4.652 1.00 0.00 H new ATOM 0 HD1 TRP A 92 7.072 -4.015 5.150 1.00 0.00 H new ATOM 0 HE1 TRP A 92 8.464 -4.246 7.317 1.00 0.00 H new ATOM 0 HE3 TRP A 92 3.341 -3.146 8.534 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 7.989 -4.072 10.085 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 3.888 -3.198 10.933 1.00 0.00 H new ATOM 0 HH2 TRP A 92 6.184 -3.648 11.698 1.00 0.00 H new ATOM 1382 N ARG A 93 6.045 -0.616 5.524 1.00 0.00 N ATOM 1383 CA ARG A 93 7.310 0.010 5.160 1.00 0.00 C ATOM 1384 C ARG A 93 8.372 -0.251 6.224 1.00 0.00 C ATOM 1385 O ARG A 93 8.075 -0.279 7.419 1.00 0.00 O ATOM 1386 CB ARG A 93 7.123 1.516 4.970 1.00 0.00 C ATOM 1387 CG ARG A 93 8.094 2.130 3.975 1.00 0.00 C ATOM 1388 CD ARG A 93 7.526 3.394 3.350 1.00 0.00 C ATOM 1389 NE ARG A 93 6.466 3.102 2.389 1.00 0.00 N ATOM 1390 CZ ARG A 93 5.513 3.966 2.061 1.00 0.00 C ATOM 1391 NH1 ARG A 93 5.487 5.171 2.614 1.00 0.00 N ATOM 1392 NH2 ARG A 93 4.582 3.626 1.178 1.00 0.00 N ATOM 0 H ARG A 93 5.743 -0.431 6.480 1.00 0.00 H new ATOM 0 HA ARG A 93 7.646 -0.429 4.220 1.00 0.00 H new ATOM 0 HB2 ARG A 93 6.104 1.707 4.635 1.00 0.00 H new ATOM 0 HB3 ARG A 93 7.241 2.012 5.933 1.00 0.00 H new ATOM 0 HG2 ARG A 93 9.033 2.362 4.477 1.00 0.00 H new ATOM 0 HG3 ARG A 93 8.321 1.406 3.192 1.00 0.00 H new ATOM 0 HD2 ARG A 93 7.135 4.042 4.135 1.00 0.00 H new ATOM 0 HD3 ARG A 93 8.325 3.943 2.852 1.00 0.00 H new ATOM 0 HE ARG A 93 6.457 2.184 1.945 1.00 0.00 H new ATOM 0 HH11 ARG A 93 6.200 5.436 3.293 1.00 0.00 H new ATOM 0 HH12 ARG A 93 4.754 5.833 2.360 1.00 0.00 H new ATOM 0 HH21 ARG A 93 4.598 2.700 0.751 1.00 0.00 H new ATOM 0 HH22 ARG A 93 3.850 4.291 0.927 1.00 0.00 H new ATOM 1406 N VAL A 94 9.611 -0.442 5.783 1.00 0.00 N ATOM 1407 CA VAL A 94 10.717 -0.700 6.697 1.00 0.00 C ATOM 1408 C VAL A 94 11.850 0.299 6.485 1.00 0.00 C ATOM 1409 O VAL A 94 12.263 0.554 5.354 1.00 0.00 O ATOM 1410 CB VAL A 94 11.268 -2.128 6.522 1.00 0.00 C ATOM 1411 CG1 VAL A 94 11.634 -2.386 5.068 1.00 0.00 C ATOM 1412 CG2 VAL A 94 12.468 -2.350 7.430 1.00 0.00 C ATOM 0 H VAL A 94 9.874 -0.423 4.798 1.00 0.00 H new ATOM 0 HA VAL A 94 10.324 -0.591 7.708 1.00 0.00 H new ATOM 0 HB VAL A 94 10.490 -2.836 6.806 1.00 0.00 H new ATOM 0 HG11 VAL A 94 12.021 -3.400 4.965 1.00 0.00 H new ATOM 0 HG12 VAL A 94 10.748 -2.271 4.444 1.00 0.00 H new ATOM 0 HG13 VAL A 94 12.395 -1.673 4.752 1.00 0.00 H new ATOM 0 HG21 VAL A 94 12.845 -3.364 7.294 1.00 0.00 H new ATOM 0 HG22 VAL A 94 13.251 -1.635 7.179 1.00 0.00 H new ATOM 0 HG23 VAL A 94 12.169 -2.211 8.469 1.00 0.00 H new