USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 649 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 51 TYR OH : rot -56:sc= 0.834 USER MOD Set 1.2: A 55 GLN : amide:sc= -9.95! C(o=-9.1!,f=-9.3!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -165:sc= -0.0347 (180deg=-0.268) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 GLN : amide:sc= -0.604 K(o=-0.6,f=-0.011) USER MOD Single : A 25 GLN : amide:sc= -1.53 K(o=-1.5,f=-14!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl -156:sc= -0.697 (180deg=-1.12) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 147:sc= -0.442 (180deg=-1.92!) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0.0282 X(o=0.028,f=0) USER MOD Single : A 52 TYR OH : rot 137:sc= -2.22! USER MOD Single : A 54 GLN : amide:sc= 0.266 X(o=0.27,f=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -2.16 K(o=-2.2,f=-1.5) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 72 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 75 ASN : amide:sc= -1.42 K(o=-1.4,f=-5.2!) USER MOD Single : A 76 THR OG1 : rot -82:sc= 1.2 USER MOD Single : A 79 ASN : amide:sc= -0.0169 X(o=-0.017,f=-0.3) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 30:sc= -1.85! USER MOD ----------------------------------------------------------------- ATOM 87 N LYS A 8 6.895 21.269 -0.454 1.00 0.00 N ATOM 88 CA LYS A 8 7.390 20.204 -1.313 1.00 0.00 C ATOM 89 C LYS A 8 7.969 19.066 -0.482 1.00 0.00 C ATOM 90 O LYS A 8 7.960 17.910 -0.904 1.00 0.00 O ATOM 91 CB LYS A 8 8.454 20.743 -2.272 1.00 0.00 C ATOM 92 CG LYS A 8 8.912 19.727 -3.305 1.00 0.00 C ATOM 93 CD LYS A 8 9.478 20.406 -4.544 1.00 0.00 C ATOM 94 CE LYS A 8 10.947 20.069 -4.745 1.00 0.00 C ATOM 95 NZ LYS A 8 11.384 20.300 -6.149 1.00 0.00 N ATOM 0 HA LYS A 8 6.552 19.819 -1.894 1.00 0.00 H new ATOM 0 HB2 LYS A 8 8.058 21.618 -2.786 1.00 0.00 H new ATOM 0 HB3 LYS A 8 9.317 21.076 -1.695 1.00 0.00 H new ATOM 0 HG2 LYS A 8 9.670 19.078 -2.867 1.00 0.00 H new ATOM 0 HG3 LYS A 8 8.073 19.092 -3.589 1.00 0.00 H new ATOM 0 HD2 LYS A 8 8.910 20.096 -5.421 1.00 0.00 H new ATOM 0 HD3 LYS A 8 9.361 21.486 -4.453 1.00 0.00 H new ATOM 0 HE2 LYS A 8 11.554 20.675 -4.072 1.00 0.00 H new ATOM 0 HE3 LYS A 8 11.120 19.026 -4.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 12.391 20.058 -6.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 10.823 19.703 -6.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 11.244 21.300 -6.396 1.00 0.00 H new ATOM 109 N ASP A 9 8.470 19.398 0.706 1.00 0.00 N ATOM 110 CA ASP A 9 9.047 18.394 1.587 1.00 0.00 C ATOM 111 C ASP A 9 7.962 17.493 2.154 1.00 0.00 C ATOM 112 O ASP A 9 8.111 16.276 2.173 1.00 0.00 O ATOM 113 CB ASP A 9 9.830 19.058 2.722 1.00 0.00 C ATOM 114 CG ASP A 9 10.724 18.078 3.458 1.00 0.00 C ATOM 115 OD1 ASP A 9 11.819 17.770 2.941 1.00 0.00 O ATOM 116 OD2 ASP A 9 10.328 17.619 4.551 1.00 0.00 O ATOM 0 H ASP A 9 8.487 20.348 1.076 1.00 0.00 H new ATOM 0 HA ASP A 9 9.735 17.784 1.002 1.00 0.00 H new ATOM 0 HB2 ASP A 9 10.438 19.866 2.316 1.00 0.00 H new ATOM 0 HB3 ASP A 9 9.131 19.508 3.427 1.00 0.00 H new ATOM 121 N LEU A 10 6.865 18.090 2.607 1.00 0.00 N ATOM 122 CA LEU A 10 5.759 17.316 3.156 1.00 0.00 C ATOM 123 C LEU A 10 5.223 16.365 2.101 1.00 0.00 C ATOM 124 O LEU A 10 5.004 15.183 2.369 1.00 0.00 O ATOM 125 CB LEU A 10 4.643 18.254 3.639 1.00 0.00 C ATOM 126 CG LEU A 10 3.789 17.765 4.821 1.00 0.00 C ATOM 127 CD1 LEU A 10 2.485 17.160 4.322 1.00 0.00 C ATOM 128 CD2 LEU A 10 4.547 16.765 5.686 1.00 0.00 C ATOM 0 H LEU A 10 6.719 19.099 2.605 1.00 0.00 H new ATOM 0 HA LEU A 10 6.119 16.737 4.006 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.096 19.205 3.918 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.978 18.452 2.798 1.00 0.00 H new ATOM 0 HG LEU A 10 3.559 18.630 5.443 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.893 16.819 5.172 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.924 17.912 3.767 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.702 16.315 3.669 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.912 16.442 6.511 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.826 15.901 5.083 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.446 17.236 6.084 1.00 0.00 H new ATOM 140 N ILE A 11 5.025 16.883 0.896 1.00 0.00 N ATOM 141 CA ILE A 11 4.527 16.061 -0.193 1.00 0.00 C ATOM 142 C ILE A 11 5.512 14.937 -0.493 1.00 0.00 C ATOM 143 O ILE A 11 5.135 13.767 -0.510 1.00 0.00 O ATOM 144 CB ILE A 11 4.294 16.891 -1.471 1.00 0.00 C ATOM 145 CG1 ILE A 11 3.397 18.093 -1.168 1.00 0.00 C ATOM 146 CG2 ILE A 11 3.677 16.026 -2.561 1.00 0.00 C ATOM 147 CD1 ILE A 11 2.016 17.710 -0.679 1.00 0.00 C ATOM 0 H ILE A 11 5.200 17.858 0.652 1.00 0.00 H new ATOM 0 HA ILE A 11 3.571 15.642 0.122 1.00 0.00 H new ATOM 0 HB ILE A 11 5.256 17.259 -1.827 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.880 18.716 -0.415 1.00 0.00 H new ATOM 0 HG13 ILE A 11 3.299 18.699 -2.069 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.519 16.627 -3.457 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.348 15.199 -2.793 1.00 0.00 H new ATOM 0 HG23 ILE A 11 2.721 15.632 -2.215 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.436 18.612 -0.484 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.513 17.112 -1.440 1.00 0.00 H new ATOM 0 HD13 ILE A 11 2.103 17.129 0.239 1.00 0.00 H new ATOM 159 N SER A 12 6.773 15.294 -0.743 1.00 0.00 N ATOM 160 CA SER A 12 7.803 14.310 -1.057 1.00 0.00 C ATOM 161 C SER A 12 8.018 13.322 0.086 1.00 0.00 C ATOM 162 O SER A 12 8.353 12.165 -0.147 1.00 0.00 O ATOM 163 CB SER A 12 9.120 15.014 -1.385 1.00 0.00 C ATOM 164 OG SER A 12 10.122 14.078 -1.749 1.00 0.00 O ATOM 0 H SER A 12 7.103 16.259 -0.733 1.00 0.00 H new ATOM 0 HA SER A 12 7.460 13.746 -1.924 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.965 15.721 -2.200 1.00 0.00 H new ATOM 0 HB3 SER A 12 9.453 15.591 -0.522 1.00 0.00 H new ATOM 0 HG SER A 12 10.954 14.553 -1.955 1.00 0.00 H new ATOM 170 N ALA A 13 7.853 13.784 1.318 1.00 0.00 N ATOM 171 CA ALA A 13 8.057 12.919 2.474 1.00 0.00 C ATOM 172 C ALA A 13 6.978 11.854 2.552 1.00 0.00 C ATOM 173 O ALA A 13 7.271 10.676 2.760 1.00 0.00 O ATOM 174 CB ALA A 13 8.119 13.730 3.758 1.00 0.00 C ATOM 0 H ALA A 13 7.582 14.741 1.543 1.00 0.00 H new ATOM 0 HA ALA A 13 9.016 12.415 2.352 1.00 0.00 H new ATOM 0 HB1 ALA A 13 8.272 13.060 4.604 1.00 0.00 H new ATOM 0 HB2 ALA A 13 8.946 14.438 3.702 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.184 14.274 3.890 1.00 0.00 H new ATOM 180 N GLY A 14 5.741 12.260 2.332 1.00 0.00 N ATOM 181 CA GLY A 14 4.656 11.305 2.327 1.00 0.00 C ATOM 182 C GLY A 14 4.763 10.444 1.090 1.00 0.00 C ATOM 183 O GLY A 14 4.590 9.229 1.129 1.00 0.00 O ATOM 0 H GLY A 14 5.468 13.227 2.158 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.697 10.684 3.222 1.00 0.00 H new ATOM 0 HA3 GLY A 14 3.698 11.824 2.342 1.00 0.00 H new ATOM 187 N LEU A 15 5.070 11.121 -0.009 1.00 0.00 N ATOM 188 CA LEU A 15 5.236 10.466 -1.297 1.00 0.00 C ATOM 189 C LEU A 15 6.258 9.346 -1.176 1.00 0.00 C ATOM 190 O LEU A 15 5.952 8.184 -1.436 1.00 0.00 O ATOM 191 CB LEU A 15 5.659 11.466 -2.369 1.00 0.00 C ATOM 192 CG LEU A 15 4.557 11.863 -3.354 1.00 0.00 C ATOM 193 CD1 LEU A 15 4.936 13.137 -4.094 1.00 0.00 C ATOM 194 CD2 LEU A 15 4.289 10.733 -4.337 1.00 0.00 C ATOM 0 H LEU A 15 5.210 12.131 -0.032 1.00 0.00 H new ATOM 0 HA LEU A 15 4.278 10.042 -1.598 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.029 12.366 -1.879 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.492 11.043 -2.930 1.00 0.00 H new ATOM 0 HG LEU A 15 3.643 12.053 -2.791 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.141 13.404 -4.790 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.077 13.946 -3.377 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.862 12.975 -4.646 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.503 11.032 -5.030 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.199 10.512 -4.894 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.973 9.844 -3.792 1.00 0.00 H new ATOM 206 N LYS A 16 7.471 9.697 -0.766 1.00 0.00 N ATOM 207 CA LYS A 16 8.524 8.705 -0.600 1.00 0.00 C ATOM 208 C LYS A 16 8.116 7.690 0.460 1.00 0.00 C ATOM 209 O LYS A 16 8.470 6.516 0.385 1.00 0.00 O ATOM 210 CB LYS A 16 9.841 9.388 -0.211 1.00 0.00 C ATOM 211 CG LYS A 16 10.906 8.426 0.290 1.00 0.00 C ATOM 212 CD LYS A 16 12.180 9.160 0.677 1.00 0.00 C ATOM 213 CE LYS A 16 13.212 8.211 1.267 1.00 0.00 C ATOM 214 NZ LYS A 16 12.741 7.604 2.543 1.00 0.00 N ATOM 0 H LYS A 16 7.748 10.653 -0.544 1.00 0.00 H new ATOM 0 HA LYS A 16 8.674 8.184 -1.546 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.229 9.927 -1.075 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.641 10.129 0.563 1.00 0.00 H new ATOM 0 HG2 LYS A 16 10.526 7.876 1.151 1.00 0.00 H new ATOM 0 HG3 LYS A 16 11.128 7.692 -0.484 1.00 0.00 H new ATOM 0 HD2 LYS A 16 12.598 9.654 -0.200 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.946 9.941 1.401 1.00 0.00 H new ATOM 0 HE2 LYS A 16 13.432 7.421 0.549 1.00 0.00 H new ATOM 0 HE3 LYS A 16 14.143 8.750 1.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 13.546 7.173 3.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 12.318 8.341 3.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 12.030 6.873 2.338 1.00 0.00 H new ATOM 228 N GLU A 17 7.352 8.157 1.439 1.00 0.00 N ATOM 229 CA GLU A 17 6.875 7.295 2.508 1.00 0.00 C ATOM 230 C GLU A 17 6.000 6.186 1.940 1.00 0.00 C ATOM 231 O GLU A 17 6.180 5.010 2.260 1.00 0.00 O ATOM 232 CB GLU A 17 6.092 8.107 3.542 1.00 0.00 C ATOM 233 CG GLU A 17 6.900 8.453 4.783 1.00 0.00 C ATOM 234 CD GLU A 17 7.306 7.225 5.574 1.00 0.00 C ATOM 235 OE1 GLU A 17 6.456 6.690 6.317 1.00 0.00 O ATOM 236 OE2 GLU A 17 8.474 6.799 5.453 1.00 0.00 O ATOM 0 H GLU A 17 7.050 9.129 1.513 1.00 0.00 H new ATOM 0 HA GLU A 17 7.737 6.845 3.000 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.742 9.029 3.078 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.208 7.544 3.840 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.794 9.003 4.489 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.314 9.115 5.421 1.00 0.00 H new ATOM 243 N PHE A 18 5.053 6.569 1.092 1.00 0.00 N ATOM 244 CA PHE A 18 4.148 5.607 0.480 1.00 0.00 C ATOM 245 C PHE A 18 4.871 4.783 -0.578 1.00 0.00 C ATOM 246 O PHE A 18 4.808 3.556 -0.567 1.00 0.00 O ATOM 247 CB PHE A 18 2.943 6.325 -0.140 1.00 0.00 C ATOM 248 CG PHE A 18 1.679 5.499 -0.210 1.00 0.00 C ATOM 249 CD1 PHE A 18 1.505 4.362 0.573 1.00 0.00 C ATOM 250 CD2 PHE A 18 0.655 5.874 -1.067 1.00 0.00 C ATOM 251 CE1 PHE A 18 0.339 3.623 0.499 1.00 0.00 C ATOM 252 CE2 PHE A 18 -0.512 5.136 -1.143 1.00 0.00 C ATOM 253 CZ PHE A 18 -0.670 4.011 -0.360 1.00 0.00 C ATOM 0 H PHE A 18 4.893 7.537 0.814 1.00 0.00 H new ATOM 0 HA PHE A 18 3.792 4.932 1.258 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.739 7.227 0.437 1.00 0.00 H new ATOM 0 HB3 PHE A 18 3.208 6.644 -1.148 1.00 0.00 H new ATOM 0 HD1 PHE A 18 2.290 4.053 1.247 1.00 0.00 H new ATOM 0 HD2 PHE A 18 0.771 6.754 -1.683 1.00 0.00 H new ATOM 0 HE1 PHE A 18 0.217 2.743 1.113 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.300 5.440 -1.816 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.582 3.435 -0.419 1.00 0.00 H new ATOM 263 N SER A 19 5.569 5.462 -1.484 1.00 0.00 N ATOM 264 CA SER A 19 6.308 4.777 -2.539 1.00 0.00 C ATOM 265 C SER A 19 7.274 3.767 -1.933 1.00 0.00 C ATOM 266 O SER A 19 7.283 2.592 -2.309 1.00 0.00 O ATOM 267 CB SER A 19 7.074 5.787 -3.397 1.00 0.00 C ATOM 268 OG SER A 19 6.211 6.434 -4.315 1.00 0.00 O ATOM 0 H SER A 19 5.638 6.479 -1.509 1.00 0.00 H new ATOM 0 HA SER A 19 5.597 4.249 -3.174 1.00 0.00 H new ATOM 0 HB2 SER A 19 7.549 6.529 -2.755 1.00 0.00 H new ATOM 0 HB3 SER A 19 7.871 5.278 -3.939 1.00 0.00 H new ATOM 0 HG SER A 19 6.724 7.075 -4.850 1.00 0.00 H new ATOM 274 N VAL A 20 8.075 4.229 -0.980 1.00 0.00 N ATOM 275 CA VAL A 20 9.032 3.365 -0.308 1.00 0.00 C ATOM 276 C VAL A 20 8.302 2.291 0.492 1.00 0.00 C ATOM 277 O VAL A 20 8.793 1.174 0.632 1.00 0.00 O ATOM 278 CB VAL A 20 9.959 4.169 0.629 1.00 0.00 C ATOM 279 CG1 VAL A 20 10.889 3.243 1.400 1.00 0.00 C ATOM 280 CG2 VAL A 20 10.761 5.189 -0.166 1.00 0.00 C ATOM 0 H VAL A 20 8.079 5.196 -0.657 1.00 0.00 H new ATOM 0 HA VAL A 20 9.647 2.894 -1.075 1.00 0.00 H new ATOM 0 HB VAL A 20 9.337 4.700 1.350 1.00 0.00 H new ATOM 0 HG11 VAL A 20 11.532 3.834 2.053 1.00 0.00 H new ATOM 0 HG12 VAL A 20 10.298 2.552 2.001 1.00 0.00 H new ATOM 0 HG13 VAL A 20 11.504 2.679 0.699 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.410 5.748 0.509 1.00 0.00 H new ATOM 0 HG22 VAL A 20 11.369 4.674 -0.910 1.00 0.00 H new ATOM 0 HG23 VAL A 20 10.080 5.877 -0.667 1.00 0.00 H new ATOM 290 N LEU A 21 7.125 2.635 1.011 1.00 0.00 N ATOM 291 CA LEU A 21 6.332 1.691 1.791 1.00 0.00 C ATOM 292 C LEU A 21 5.889 0.515 0.923 1.00 0.00 C ATOM 293 O LEU A 21 5.997 -0.642 1.329 1.00 0.00 O ATOM 294 CB LEU A 21 5.108 2.397 2.388 1.00 0.00 C ATOM 295 CG LEU A 21 4.060 1.477 3.024 1.00 0.00 C ATOM 296 CD1 LEU A 21 4.332 1.300 4.509 1.00 0.00 C ATOM 297 CD2 LEU A 21 2.661 2.033 2.802 1.00 0.00 C ATOM 0 H LEU A 21 6.702 3.557 0.905 1.00 0.00 H new ATOM 0 HA LEU A 21 6.951 1.308 2.602 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.451 3.104 3.143 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.626 2.978 1.602 1.00 0.00 H new ATOM 0 HG LEU A 21 4.125 0.500 2.545 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.577 0.644 4.942 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.319 0.859 4.648 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.295 2.271 5.004 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.928 1.368 3.260 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.586 3.022 3.255 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.465 2.108 1.732 1.00 0.00 H new ATOM 309 N LEU A 22 5.396 0.818 -0.274 1.00 0.00 N ATOM 310 CA LEU A 22 4.947 -0.223 -1.193 1.00 0.00 C ATOM 311 C LEU A 22 6.131 -1.059 -1.656 1.00 0.00 C ATOM 312 O LEU A 22 6.018 -2.271 -1.841 1.00 0.00 O ATOM 313 CB LEU A 22 4.230 0.389 -2.403 1.00 0.00 C ATOM 314 CG LEU A 22 3.235 1.505 -2.074 1.00 0.00 C ATOM 315 CD1 LEU A 22 3.203 2.537 -3.191 1.00 0.00 C ATOM 316 CD2 LEU A 22 1.848 0.934 -1.835 1.00 0.00 C ATOM 0 H LEU A 22 5.298 1.769 -0.629 1.00 0.00 H new ATOM 0 HA LEU A 22 4.242 -0.865 -0.665 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.980 0.783 -3.089 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.701 -0.404 -2.931 1.00 0.00 H new ATOM 0 HG LEU A 22 3.564 1.998 -1.159 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.490 3.323 -2.940 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.195 2.972 -3.313 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.901 2.057 -4.122 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.156 1.744 -1.603 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.510 0.413 -2.731 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.881 0.235 -1.000 1.00 0.00 H new ATOM 328 N ASN A 23 7.272 -0.401 -1.834 1.00 0.00 N ATOM 329 CA ASN A 23 8.487 -1.078 -2.269 1.00 0.00 C ATOM 330 C ASN A 23 9.206 -1.735 -1.090 1.00 0.00 C ATOM 331 O ASN A 23 10.050 -2.609 -1.283 1.00 0.00 O ATOM 332 CB ASN A 23 9.423 -0.089 -2.967 1.00 0.00 C ATOM 333 CG ASN A 23 9.410 -0.248 -4.475 1.00 0.00 C ATOM 334 OD1 ASN A 23 10.050 -1.146 -5.023 1.00 0.00 O ATOM 335 ND2 ASN A 23 8.679 0.628 -5.155 1.00 0.00 N ATOM 0 H ASN A 23 7.380 0.602 -1.683 1.00 0.00 H new ATOM 0 HA ASN A 23 8.202 -1.860 -2.973 1.00 0.00 H new ATOM 0 HB2 ASN A 23 9.130 0.929 -2.709 1.00 0.00 H new ATOM 0 HB3 ASN A 23 10.439 -0.232 -2.598 1.00 0.00 H new ATOM 0 HD21 ASN A 23 8.632 0.572 -6.172 1.00 0.00 H new ATOM 0 HD22 ASN A 23 8.164 1.356 -4.660 1.00 0.00 H new ATOM 342 N GLN A 24 8.878 -1.307 0.128 1.00 0.00 N ATOM 343 CA GLN A 24 9.510 -1.861 1.322 1.00 0.00 C ATOM 344 C GLN A 24 8.561 -2.762 2.104 1.00 0.00 C ATOM 345 O GLN A 24 8.867 -3.157 3.229 1.00 0.00 O ATOM 346 CB GLN A 24 10.035 -0.745 2.226 1.00 0.00 C ATOM 347 CG GLN A 24 11.267 -0.048 1.675 1.00 0.00 C ATOM 348 CD GLN A 24 12.200 0.439 2.767 1.00 0.00 C ATOM 349 OE1 GLN A 24 13.382 0.098 2.787 1.00 0.00 O ATOM 350 NE2 GLN A 24 11.671 1.243 3.683 1.00 0.00 N ATOM 0 H GLN A 24 8.183 -0.583 0.313 1.00 0.00 H new ATOM 0 HA GLN A 24 10.348 -2.471 0.985 1.00 0.00 H new ATOM 0 HB2 GLN A 24 9.246 -0.008 2.375 1.00 0.00 H new ATOM 0 HB3 GLN A 24 10.271 -1.162 3.205 1.00 0.00 H new ATOM 0 HG2 GLN A 24 11.806 -0.734 1.021 1.00 0.00 H new ATOM 0 HG3 GLN A 24 10.957 0.799 1.063 1.00 0.00 H new ATOM 0 HE21 GLN A 24 10.686 1.500 3.628 1.00 0.00 H new ATOM 0 HE22 GLN A 24 12.250 1.603 4.441 1.00 0.00 H new ATOM 359 N GLN A 25 7.430 -3.120 1.498 1.00 0.00 N ATOM 360 CA GLN A 25 6.482 -4.017 2.156 1.00 0.00 C ATOM 361 C GLN A 25 7.260 -5.227 2.656 1.00 0.00 C ATOM 362 O GLN A 25 8.378 -5.459 2.195 1.00 0.00 O ATOM 363 CB GLN A 25 5.382 -4.454 1.184 1.00 0.00 C ATOM 364 CG GLN A 25 3.998 -3.954 1.563 1.00 0.00 C ATOM 365 CD GLN A 25 3.634 -4.261 3.003 1.00 0.00 C ATOM 366 OE1 GLN A 25 4.414 -4.868 3.736 1.00 0.00 O ATOM 367 NE2 GLN A 25 2.444 -3.842 3.416 1.00 0.00 N ATOM 0 H GLN A 25 7.151 -2.809 0.568 1.00 0.00 H new ATOM 0 HA GLN A 25 5.997 -3.505 2.987 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.628 -4.094 0.185 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.364 -5.543 1.135 1.00 0.00 H new ATOM 0 HG2 GLN A 25 3.950 -2.877 1.403 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.260 -4.408 0.902 1.00 0.00 H new ATOM 0 HE21 GLN A 25 1.828 -3.342 2.774 1.00 0.00 H new ATOM 0 HE22 GLN A 25 2.145 -4.020 4.375 1.00 0.00 H new ATOM 376 N VAL A 26 6.718 -6.004 3.586 1.00 0.00 N ATOM 377 CA VAL A 26 7.446 -7.158 4.085 1.00 0.00 C ATOM 378 C VAL A 26 6.815 -8.453 3.603 1.00 0.00 C ATOM 379 O VAL A 26 5.604 -8.644 3.701 1.00 0.00 O ATOM 380 CB VAL A 26 7.495 -7.168 5.625 1.00 0.00 C ATOM 381 CG1 VAL A 26 8.425 -8.264 6.123 1.00 0.00 C ATOM 382 CG2 VAL A 26 7.930 -5.809 6.153 1.00 0.00 C ATOM 0 H VAL A 26 5.797 -5.859 4.001 1.00 0.00 H new ATOM 0 HA VAL A 26 8.462 -7.084 3.696 1.00 0.00 H new ATOM 0 HB VAL A 26 6.493 -7.375 6.001 1.00 0.00 H new ATOM 0 HG11 VAL A 26 8.447 -8.255 7.213 1.00 0.00 H new ATOM 0 HG12 VAL A 26 8.066 -9.232 5.775 1.00 0.00 H new ATOM 0 HG13 VAL A 26 9.430 -8.091 5.739 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.959 -5.834 7.242 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.922 -5.570 5.769 1.00 0.00 H new ATOM 0 HG23 VAL A 26 7.221 -5.048 5.826 1.00 0.00 H new ATOM 392 N PHE A 27 7.650 -9.344 3.095 1.00 0.00 N ATOM 393 CA PHE A 27 7.189 -10.632 2.609 1.00 0.00 C ATOM 394 C PHE A 27 7.611 -11.723 3.573 1.00 0.00 C ATOM 395 O PHE A 27 8.764 -11.790 3.999 1.00 0.00 O ATOM 396 CB PHE A 27 7.708 -10.881 1.191 1.00 0.00 C ATOM 397 CG PHE A 27 7.304 -9.797 0.222 1.00 0.00 C ATOM 398 CD1 PHE A 27 7.805 -8.507 0.348 1.00 0.00 C ATOM 399 CD2 PHE A 27 6.413 -10.065 -0.807 1.00 0.00 C ATOM 400 CE1 PHE A 27 7.425 -7.513 -0.534 1.00 0.00 C ATOM 401 CE2 PHE A 27 6.033 -9.072 -1.691 1.00 0.00 C ATOM 402 CZ PHE A 27 6.539 -7.796 -1.554 1.00 0.00 C ATOM 0 H PHE A 27 8.656 -9.197 3.009 1.00 0.00 H new ATOM 0 HA PHE A 27 6.100 -10.638 2.558 1.00 0.00 H new ATOM 0 HB2 PHE A 27 8.795 -10.954 1.215 1.00 0.00 H new ATOM 0 HB3 PHE A 27 7.332 -11.840 0.834 1.00 0.00 H new ATOM 0 HD1 PHE A 27 8.499 -8.279 1.144 1.00 0.00 H new ATOM 0 HD2 PHE A 27 6.011 -11.061 -0.919 1.00 0.00 H new ATOM 0 HE1 PHE A 27 7.821 -6.514 -0.425 1.00 0.00 H new ATOM 0 HE2 PHE A 27 5.340 -9.295 -2.489 1.00 0.00 H new ATOM 0 HZ PHE A 27 6.242 -7.020 -2.244 1.00 0.00 H new ATOM 452 N LEU A 31 2.088 -16.391 4.184 1.00 0.00 N ATOM 453 CA LEU A 31 1.817 -15.040 3.708 1.00 0.00 C ATOM 454 C LEU A 31 0.431 -14.570 4.133 1.00 0.00 C ATOM 455 O LEU A 31 -0.499 -15.367 4.253 1.00 0.00 O ATOM 456 CB LEU A 31 1.938 -14.987 2.183 1.00 0.00 C ATOM 457 CG LEU A 31 3.354 -14.756 1.651 1.00 0.00 C ATOM 458 CD1 LEU A 31 3.518 -15.363 0.268 1.00 0.00 C ATOM 459 CD2 LEU A 31 3.672 -13.270 1.619 1.00 0.00 C ATOM 0 HA LEU A 31 2.554 -14.373 4.155 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.560 -15.923 1.772 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.293 -14.192 1.810 1.00 0.00 H new ATOM 0 HG LEU A 31 4.056 -15.249 2.324 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.533 -15.186 -0.089 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.333 -16.436 0.317 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.807 -14.903 -0.418 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.683 -13.122 1.238 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.961 -12.760 0.969 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.601 -12.861 2.627 1.00 0.00 H new ATOM 471 N VAL A 32 0.305 -13.267 4.355 1.00 0.00 N ATOM 472 CA VAL A 32 -0.963 -12.677 4.762 1.00 0.00 C ATOM 473 C VAL A 32 -1.939 -12.623 3.588 1.00 0.00 C ATOM 474 O VAL A 32 -1.524 -12.614 2.429 1.00 0.00 O ATOM 475 CB VAL A 32 -0.755 -11.257 5.321 1.00 0.00 C ATOM 476 CG1 VAL A 32 -0.150 -10.347 4.262 1.00 0.00 C ATOM 477 CG2 VAL A 32 -2.065 -10.690 5.836 1.00 0.00 C ATOM 0 H VAL A 32 1.069 -12.598 4.259 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.382 -13.308 5.545 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.057 -11.315 6.157 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -0.011 -9.349 4.677 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.814 -10.746 3.947 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.819 -10.293 3.403 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.898 -9.686 6.227 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -2.788 -10.647 5.021 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.451 -11.329 6.630 1.00 0.00 H new ATOM 487 N SER A 33 -3.236 -12.621 3.889 1.00 0.00 N ATOM 488 CA SER A 33 -4.259 -12.609 2.847 1.00 0.00 C ATOM 489 C SER A 33 -4.478 -11.214 2.274 1.00 0.00 C ATOM 490 O SER A 33 -3.962 -10.224 2.790 1.00 0.00 O ATOM 491 CB SER A 33 -5.576 -13.154 3.401 1.00 0.00 C ATOM 492 OG SER A 33 -6.191 -14.038 2.480 1.00 0.00 O ATOM 0 H SER A 33 -3.602 -12.628 4.841 1.00 0.00 H new ATOM 0 HA SER A 33 -3.906 -13.247 2.036 1.00 0.00 H new ATOM 0 HB2 SER A 33 -5.391 -13.674 4.341 1.00 0.00 H new ATOM 0 HB3 SER A 33 -6.251 -12.327 3.622 1.00 0.00 H new ATOM 0 HG SER A 33 -7.030 -14.374 2.859 1.00 0.00 H new ATOM 498 N GLU A 34 -5.241 -11.160 1.185 1.00 0.00 N ATOM 499 CA GLU A 34 -5.534 -9.906 0.504 1.00 0.00 C ATOM 500 C GLU A 34 -6.424 -9.004 1.349 1.00 0.00 C ATOM 501 O GLU A 34 -6.347 -7.780 1.248 1.00 0.00 O ATOM 502 CB GLU A 34 -6.201 -10.181 -0.846 1.00 0.00 C ATOM 503 CG GLU A 34 -5.657 -9.325 -1.979 1.00 0.00 C ATOM 504 CD GLU A 34 -6.622 -8.234 -2.401 1.00 0.00 C ATOM 505 OE1 GLU A 34 -7.757 -8.568 -2.804 1.00 0.00 O ATOM 506 OE2 GLU A 34 -6.243 -7.047 -2.329 1.00 0.00 O ATOM 0 H GLU A 34 -5.670 -11.979 0.754 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.588 -9.388 0.342 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.068 -11.233 -1.100 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -7.273 -10.008 -0.754 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.716 -8.872 -1.667 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.436 -9.961 -2.836 1.00 0.00 H new ATOM 513 N GLU A 35 -7.264 -9.603 2.186 1.00 0.00 N ATOM 514 CA GLU A 35 -8.154 -8.832 3.042 1.00 0.00 C ATOM 515 C GLU A 35 -7.347 -7.975 4.006 1.00 0.00 C ATOM 516 O GLU A 35 -7.740 -6.855 4.345 1.00 0.00 O ATOM 517 CB GLU A 35 -9.083 -9.763 3.824 1.00 0.00 C ATOM 518 CG GLU A 35 -8.345 -10.765 4.696 1.00 0.00 C ATOM 519 CD GLU A 35 -8.339 -10.369 6.161 1.00 0.00 C ATOM 520 OE1 GLU A 35 -9.369 -10.575 6.836 1.00 0.00 O ATOM 521 OE2 GLU A 35 -7.303 -9.854 6.632 1.00 0.00 O ATOM 0 H GLU A 35 -7.346 -10.614 2.289 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.760 -8.181 2.412 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.741 -9.163 4.452 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.718 -10.303 3.122 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.810 -11.745 4.590 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.318 -10.860 4.345 1.00 0.00 H new ATOM 528 N ASP A 36 -6.203 -8.500 4.431 1.00 0.00 N ATOM 529 CA ASP A 36 -5.334 -7.772 5.342 1.00 0.00 C ATOM 530 C ASP A 36 -4.668 -6.618 4.611 1.00 0.00 C ATOM 531 O ASP A 36 -4.555 -5.515 5.142 1.00 0.00 O ATOM 532 CB ASP A 36 -4.279 -8.701 5.939 1.00 0.00 C ATOM 533 CG ASP A 36 -4.130 -8.518 7.437 1.00 0.00 C ATOM 534 OD1 ASP A 36 -4.963 -9.068 8.188 1.00 0.00 O ATOM 535 OD2 ASP A 36 -3.179 -7.827 7.859 1.00 0.00 O ATOM 0 H ASP A 36 -5.859 -9.421 4.160 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.939 -7.374 6.157 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.548 -9.736 5.727 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.320 -8.515 5.456 1.00 0.00 H new ATOM 540 N MET A 37 -4.249 -6.872 3.377 1.00 0.00 N ATOM 541 CA MET A 37 -3.622 -5.841 2.570 1.00 0.00 C ATOM 542 C MET A 37 -4.632 -4.737 2.285 1.00 0.00 C ATOM 543 O MET A 37 -4.327 -3.552 2.408 1.00 0.00 O ATOM 544 CB MET A 37 -3.098 -6.427 1.259 1.00 0.00 C ATOM 545 CG MET A 37 -2.362 -5.414 0.393 1.00 0.00 C ATOM 546 SD MET A 37 -0.715 -5.970 -0.085 1.00 0.00 S ATOM 547 CE MET A 37 0.087 -6.078 1.512 1.00 0.00 C ATOM 0 H MET A 37 -4.333 -7.779 2.918 1.00 0.00 H new ATOM 0 HA MET A 37 -2.777 -5.427 3.119 1.00 0.00 H new ATOM 0 HB2 MET A 37 -2.428 -7.257 1.483 1.00 0.00 H new ATOM 0 HB3 MET A 37 -3.935 -6.837 0.693 1.00 0.00 H new ATOM 0 HG2 MET A 37 -2.948 -5.216 -0.504 1.00 0.00 H new ATOM 0 HG3 MET A 37 -2.280 -4.472 0.935 1.00 0.00 H new ATOM 0 HE1 MET A 37 1.166 -5.986 1.384 1.00 0.00 H new ATOM 0 HE2 MET A 37 -0.272 -5.274 2.155 1.00 0.00 H new ATOM 0 HE3 MET A 37 -0.144 -7.040 1.971 1.00 0.00 H new ATOM 557 N VAL A 38 -5.841 -5.144 1.904 1.00 0.00 N ATOM 558 CA VAL A 38 -6.904 -4.198 1.599 1.00 0.00 C ATOM 559 C VAL A 38 -7.151 -3.260 2.776 1.00 0.00 C ATOM 560 O VAL A 38 -7.223 -2.044 2.598 1.00 0.00 O ATOM 561 CB VAL A 38 -8.220 -4.919 1.245 1.00 0.00 C ATOM 562 CG1 VAL A 38 -9.301 -3.916 0.861 1.00 0.00 C ATOM 563 CG2 VAL A 38 -7.994 -5.925 0.124 1.00 0.00 C ATOM 0 H VAL A 38 -6.106 -6.124 1.800 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.576 -3.620 0.735 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.560 -5.461 2.128 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -10.220 -4.448 0.615 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -9.485 -3.241 1.697 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -8.973 -3.341 -0.004 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -8.934 -6.424 -0.112 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -7.626 -5.407 -0.761 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.260 -6.665 0.442 1.00 0.00 H new ATOM 573 N THR A 39 -7.276 -3.817 3.980 1.00 0.00 N ATOM 574 CA THR A 39 -7.506 -2.994 5.162 1.00 0.00 C ATOM 575 C THR A 39 -6.328 -2.050 5.385 1.00 0.00 C ATOM 576 O THR A 39 -6.512 -0.863 5.653 1.00 0.00 O ATOM 577 CB THR A 39 -7.748 -3.878 6.396 1.00 0.00 C ATOM 578 OG1 THR A 39 -8.751 -3.315 7.222 1.00 0.00 O ATOM 579 CG2 THR A 39 -6.519 -4.092 7.259 1.00 0.00 C ATOM 0 H THR A 39 -7.223 -4.820 4.160 1.00 0.00 H new ATOM 0 HA THR A 39 -8.400 -2.391 5.002 1.00 0.00 H new ATOM 0 HB THR A 39 -8.049 -4.844 5.990 1.00 0.00 H new ATOM 0 HG1 THR A 39 -8.894 -3.891 8.002 1.00 0.00 H new ATOM 0 HG21 THR A 39 -6.776 -4.726 8.108 1.00 0.00 H new ATOM 0 HG22 THR A 39 -5.739 -4.574 6.669 1.00 0.00 H new ATOM 0 HG23 THR A 39 -6.157 -3.130 7.622 1.00 0.00 H new ATOM 587 N VAL A 40 -5.117 -2.585 5.264 1.00 0.00 N ATOM 588 CA VAL A 40 -3.909 -1.789 5.442 1.00 0.00 C ATOM 589 C VAL A 40 -3.874 -0.634 4.448 1.00 0.00 C ATOM 590 O VAL A 40 -3.547 0.497 4.806 1.00 0.00 O ATOM 591 CB VAL A 40 -2.638 -2.646 5.271 1.00 0.00 C ATOM 592 CG1 VAL A 40 -1.389 -1.810 5.513 1.00 0.00 C ATOM 593 CG2 VAL A 40 -2.673 -3.845 6.207 1.00 0.00 C ATOM 0 H VAL A 40 -4.947 -3.566 5.043 1.00 0.00 H new ATOM 0 HA VAL A 40 -3.930 -1.394 6.458 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.607 -3.013 4.245 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.504 -2.434 5.387 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.358 -0.987 4.799 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.410 -1.410 6.527 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.768 -4.438 6.072 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.730 -3.499 7.239 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.546 -4.458 5.981 1.00 0.00 H new ATOM 603 N VAL A 41 -4.224 -0.924 3.197 1.00 0.00 N ATOM 604 CA VAL A 41 -4.239 0.096 2.156 1.00 0.00 C ATOM 605 C VAL A 41 -5.330 1.125 2.430 1.00 0.00 C ATOM 606 O VAL A 41 -5.084 2.331 2.393 1.00 0.00 O ATOM 607 CB VAL A 41 -4.466 -0.521 0.763 1.00 0.00 C ATOM 608 CG1 VAL A 41 -4.338 0.540 -0.320 1.00 0.00 C ATOM 609 CG2 VAL A 41 -3.489 -1.663 0.518 1.00 0.00 C ATOM 0 H VAL A 41 -4.500 -1.854 2.882 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.264 0.583 2.168 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.478 -0.924 0.726 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.502 0.085 -1.297 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -5.081 1.320 -0.154 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.340 0.976 -0.286 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.665 -2.086 -0.471 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.468 -1.287 0.575 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.634 -2.435 1.274 1.00 0.00 H new ATOM 619 N GLU A 42 -6.536 0.640 2.714 1.00 0.00 N ATOM 620 CA GLU A 42 -7.662 1.519 3.004 1.00 0.00 C ATOM 621 C GLU A 42 -7.332 2.435 4.176 1.00 0.00 C ATOM 622 O GLU A 42 -7.490 3.654 4.090 1.00 0.00 O ATOM 623 CB GLU A 42 -8.915 0.696 3.314 1.00 0.00 C ATOM 624 CG GLU A 42 -10.126 1.108 2.494 1.00 0.00 C ATOM 625 CD GLU A 42 -11.386 1.213 3.331 1.00 0.00 C ATOM 626 OE1 GLU A 42 -11.834 0.176 3.864 1.00 0.00 O ATOM 627 OE2 GLU A 42 -11.928 2.333 3.452 1.00 0.00 O ATOM 0 H GLU A 42 -6.757 -0.355 2.749 1.00 0.00 H new ATOM 0 HA GLU A 42 -7.856 2.133 2.125 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -8.703 -0.357 3.131 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -9.152 0.794 4.373 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.929 2.069 2.018 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.284 0.383 1.695 1.00 0.00 H new ATOM 634 N ASP A 43 -6.864 1.840 5.268 1.00 0.00 N ATOM 635 CA ASP A 43 -6.496 2.603 6.454 1.00 0.00 C ATOM 636 C ASP A 43 -5.392 3.595 6.118 1.00 0.00 C ATOM 637 O ASP A 43 -5.423 4.744 6.555 1.00 0.00 O ATOM 638 CB ASP A 43 -6.036 1.664 7.571 1.00 0.00 C ATOM 639 CG ASP A 43 -6.453 2.152 8.945 1.00 0.00 C ATOM 640 OD1 ASP A 43 -7.660 2.081 9.258 1.00 0.00 O ATOM 641 OD2 ASP A 43 -5.573 2.605 9.706 1.00 0.00 O ATOM 0 H ASP A 43 -6.731 0.833 5.356 1.00 0.00 H new ATOM 0 HA ASP A 43 -7.372 3.153 6.799 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -6.450 0.670 7.400 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -4.951 1.567 7.537 1.00 0.00 H new ATOM 646 N TRP A 44 -4.426 3.143 5.325 1.00 0.00 N ATOM 647 CA TRP A 44 -3.310 3.986 4.908 1.00 0.00 C ATOM 648 C TRP A 44 -3.818 5.191 4.123 1.00 0.00 C ATOM 649 O TRP A 44 -3.353 6.314 4.314 1.00 0.00 O ATOM 650 CB TRP A 44 -2.340 3.181 4.034 1.00 0.00 C ATOM 651 CG TRP A 44 -1.298 2.427 4.807 1.00 0.00 C ATOM 652 CD1 TRP A 44 -0.906 2.651 6.095 1.00 0.00 C ATOM 653 CD2 TRP A 44 -0.508 1.326 4.332 1.00 0.00 C ATOM 654 NE1 TRP A 44 0.077 1.759 6.452 1.00 0.00 N ATOM 655 CE2 TRP A 44 0.339 0.935 5.388 1.00 0.00 C ATOM 656 CE3 TRP A 44 -0.434 0.629 3.118 1.00 0.00 C ATOM 657 CZ2 TRP A 44 1.246 -0.116 5.266 1.00 0.00 C ATOM 658 CZ3 TRP A 44 0.466 -0.412 3.001 1.00 0.00 C ATOM 659 CH2 TRP A 44 1.295 -0.776 4.069 1.00 0.00 C ATOM 0 H TRP A 44 -4.393 2.193 4.956 1.00 0.00 H new ATOM 0 HA TRP A 44 -2.790 4.335 5.800 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.912 2.475 3.432 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -1.842 3.860 3.342 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.309 3.418 6.740 1.00 0.00 H new ATOM 0 HE1 TRP A 44 0.537 1.717 7.361 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -1.070 0.901 2.289 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 1.887 -0.399 6.087 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 0.531 -0.955 2.070 1.00 0.00 H new ATOM 0 HH2 TRP A 44 1.988 -1.595 3.945 1.00 0.00 H new ATOM 670 N MET A 45 -4.760 4.938 3.220 1.00 0.00 N ATOM 671 CA MET A 45 -5.325 5.987 2.379 1.00 0.00 C ATOM 672 C MET A 45 -6.024 7.067 3.196 1.00 0.00 C ATOM 673 O MET A 45 -5.754 8.254 3.015 1.00 0.00 O ATOM 674 CB MET A 45 -6.300 5.379 1.368 1.00 0.00 C ATOM 675 CG MET A 45 -6.857 6.386 0.374 1.00 0.00 C ATOM 676 SD MET A 45 -6.605 5.887 -1.341 1.00 0.00 S ATOM 677 CE MET A 45 -7.085 4.163 -1.268 1.00 0.00 C ATOM 0 H MET A 45 -5.150 4.011 3.052 1.00 0.00 H new ATOM 0 HA MET A 45 -4.498 6.463 1.851 1.00 0.00 H new ATOM 0 HB2 MET A 45 -5.793 4.584 0.821 1.00 0.00 H new ATOM 0 HB3 MET A 45 -7.128 4.918 1.907 1.00 0.00 H new ATOM 0 HG2 MET A 45 -7.924 6.518 0.556 1.00 0.00 H new ATOM 0 HG3 MET A 45 -6.383 7.354 0.540 1.00 0.00 H new ATOM 0 HE1 MET A 45 -7.543 3.873 -2.213 1.00 0.00 H new ATOM 0 HE2 MET A 45 -6.204 3.547 -1.088 1.00 0.00 H new ATOM 0 HE3 MET A 45 -7.801 4.018 -0.459 1.00 0.00 H new ATOM 687 N ASN A 46 -6.916 6.669 4.100 1.00 0.00 N ATOM 688 CA ASN A 46 -7.625 7.636 4.929 1.00 0.00 C ATOM 689 C ASN A 46 -6.658 8.296 5.900 1.00 0.00 C ATOM 690 O ASN A 46 -6.762 9.490 6.182 1.00 0.00 O ATOM 691 CB ASN A 46 -8.757 6.954 5.698 1.00 0.00 C ATOM 692 CG ASN A 46 -10.064 6.961 4.929 1.00 0.00 C ATOM 693 OD1 ASN A 46 -10.734 7.989 4.830 1.00 0.00 O ATOM 694 ND2 ASN A 46 -10.433 5.810 4.378 1.00 0.00 N ATOM 0 H ASN A 46 -7.162 5.695 4.275 1.00 0.00 H new ATOM 0 HA ASN A 46 -8.057 8.400 4.282 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -8.474 5.925 5.919 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -8.898 7.458 6.654 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -11.302 5.754 3.848 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -9.847 4.982 4.485 1.00 0.00 H new ATOM 701 N PHE A 47 -5.707 7.512 6.397 1.00 0.00 N ATOM 702 CA PHE A 47 -4.709 8.025 7.322 1.00 0.00 C ATOM 703 C PHE A 47 -3.922 9.150 6.660 1.00 0.00 C ATOM 704 O PHE A 47 -3.631 10.166 7.286 1.00 0.00 O ATOM 705 CB PHE A 47 -3.767 6.898 7.777 1.00 0.00 C ATOM 706 CG PHE A 47 -2.305 7.260 7.749 1.00 0.00 C ATOM 707 CD1 PHE A 47 -1.765 8.095 8.713 1.00 0.00 C ATOM 708 CD2 PHE A 47 -1.478 6.765 6.754 1.00 0.00 C ATOM 709 CE1 PHE A 47 -0.425 8.432 8.684 1.00 0.00 C ATOM 710 CE2 PHE A 47 -0.137 7.098 6.721 1.00 0.00 C ATOM 711 CZ PHE A 47 0.389 7.932 7.686 1.00 0.00 C ATOM 0 H PHE A 47 -5.608 6.522 6.174 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.213 8.421 8.204 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -4.036 6.603 8.791 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -3.926 6.028 7.139 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -2.398 8.487 9.496 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -1.885 6.112 5.996 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -0.015 9.085 9.440 1.00 0.00 H new ATOM 0 HE2 PHE A 47 0.498 6.706 5.941 1.00 0.00 H new ATOM 0 HZ PHE A 47 1.436 8.194 7.661 1.00 0.00 H new ATOM 721 N TYR A 48 -3.588 8.961 5.386 1.00 0.00 N ATOM 722 CA TYR A 48 -2.839 9.961 4.642 1.00 0.00 C ATOM 723 C TYR A 48 -3.702 11.183 4.357 1.00 0.00 C ATOM 724 O TYR A 48 -3.279 12.317 4.568 1.00 0.00 O ATOM 725 CB TYR A 48 -2.325 9.365 3.332 1.00 0.00 C ATOM 726 CG TYR A 48 -0.976 8.692 3.457 1.00 0.00 C ATOM 727 CD1 TYR A 48 0.089 9.335 4.074 1.00 0.00 C ATOM 728 CD2 TYR A 48 -0.770 7.412 2.957 1.00 0.00 C ATOM 729 CE1 TYR A 48 1.322 8.723 4.190 1.00 0.00 C ATOM 730 CE2 TYR A 48 0.460 6.793 3.069 1.00 0.00 C ATOM 731 CZ TYR A 48 1.503 7.451 3.686 1.00 0.00 C ATOM 732 OH TYR A 48 2.729 6.838 3.799 1.00 0.00 O ATOM 0 H TYR A 48 -3.825 8.125 4.851 1.00 0.00 H new ATOM 0 HA TYR A 48 -1.990 10.275 5.249 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -3.050 8.639 2.964 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -2.259 10.156 2.585 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -0.049 10.330 4.470 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -1.584 6.893 2.473 1.00 0.00 H new ATOM 0 HE1 TYR A 48 2.140 9.237 4.673 1.00 0.00 H new ATOM 0 HE2 TYR A 48 0.604 5.798 2.675 1.00 0.00 H new ATOM 0 HH TYR A 48 2.687 5.946 3.394 1.00 0.00 H new ATOM 742 N ILE A 49 -4.907 10.943 3.860 1.00 0.00 N ATOM 743 CA ILE A 49 -5.828 12.020 3.521 1.00 0.00 C ATOM 744 C ILE A 49 -6.043 12.964 4.710 1.00 0.00 C ATOM 745 O ILE A 49 -5.833 14.175 4.597 1.00 0.00 O ATOM 746 CB ILE A 49 -7.184 11.433 3.052 1.00 0.00 C ATOM 747 CG1 ILE A 49 -7.112 11.064 1.569 1.00 0.00 C ATOM 748 CG2 ILE A 49 -8.336 12.396 3.305 1.00 0.00 C ATOM 749 CD1 ILE A 49 -6.821 12.242 0.666 1.00 0.00 C ATOM 0 H ILE A 49 -5.272 10.007 3.682 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.387 12.598 2.709 1.00 0.00 H new ATOM 0 HB ILE A 49 -7.377 10.534 3.637 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -6.339 10.309 1.428 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -8.057 10.612 1.269 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -9.268 11.947 2.962 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -8.406 12.607 4.372 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -8.160 13.325 2.762 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -6.784 11.906 -0.370 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -7.607 12.989 0.778 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -5.862 12.681 0.939 1.00 0.00 H new ATOM 761 N ASN A 50 -6.450 12.411 5.845 1.00 0.00 N ATOM 762 CA ASN A 50 -6.683 13.216 7.040 1.00 0.00 C ATOM 763 C ASN A 50 -5.369 13.767 7.593 1.00 0.00 C ATOM 764 O ASN A 50 -5.326 14.872 8.134 1.00 0.00 O ATOM 765 CB ASN A 50 -7.388 12.383 8.111 1.00 0.00 C ATOM 766 CG ASN A 50 -8.870 12.221 7.836 1.00 0.00 C ATOM 767 OD1 ASN A 50 -9.645 13.169 7.967 1.00 0.00 O ATOM 768 ND2 ASN A 50 -9.273 11.015 7.451 1.00 0.00 N ATOM 0 H ASN A 50 -6.625 11.413 5.965 1.00 0.00 H new ATOM 0 HA ASN A 50 -7.320 14.056 6.762 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -6.922 11.399 8.167 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.251 12.856 9.083 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -10.259 10.846 7.251 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -8.596 10.258 7.355 1.00 0.00 H new ATOM 775 N TYR A 51 -4.306 12.982 7.464 1.00 0.00 N ATOM 776 CA TYR A 51 -2.990 13.372 7.959 1.00 0.00 C ATOM 777 C TYR A 51 -2.434 14.582 7.210 1.00 0.00 C ATOM 778 O TYR A 51 -1.892 15.503 7.819 1.00 0.00 O ATOM 779 CB TYR A 51 -2.029 12.186 7.840 1.00 0.00 C ATOM 780 CG TYR A 51 -0.576 12.518 8.096 1.00 0.00 C ATOM 781 CD1 TYR A 51 -0.213 13.542 8.960 1.00 0.00 C ATOM 782 CD2 TYR A 51 0.430 11.799 7.469 1.00 0.00 C ATOM 783 CE1 TYR A 51 1.117 13.839 9.190 1.00 0.00 C ATOM 784 CE2 TYR A 51 1.760 12.087 7.695 1.00 0.00 C ATOM 785 CZ TYR A 51 2.100 13.108 8.557 1.00 0.00 C ATOM 786 OH TYR A 51 3.425 13.399 8.786 1.00 0.00 O ATOM 0 H TYR A 51 -4.330 12.065 7.018 1.00 0.00 H new ATOM 0 HA TYR A 51 -3.093 13.660 9.005 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.340 11.413 8.543 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -2.119 11.762 6.840 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -0.981 14.115 9.459 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.168 11.000 6.792 1.00 0.00 H new ATOM 0 HE1 TYR A 51 1.385 14.640 9.863 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.531 11.516 7.199 1.00 0.00 H new ATOM 0 HH TYR A 51 3.593 14.343 8.582 1.00 0.00 H new ATOM 796 N TYR A 52 -2.563 14.569 5.891 1.00 0.00 N ATOM 797 CA TYR A 52 -2.060 15.663 5.065 1.00 0.00 C ATOM 798 C TYR A 52 -2.957 16.888 5.152 1.00 0.00 C ATOM 799 O TYR A 52 -2.479 18.014 5.081 1.00 0.00 O ATOM 800 CB TYR A 52 -1.943 15.233 3.602 1.00 0.00 C ATOM 801 CG TYR A 52 -0.897 14.176 3.342 1.00 0.00 C ATOM 802 CD1 TYR A 52 0.450 14.423 3.575 1.00 0.00 C ATOM 803 CD2 TYR A 52 -1.259 12.929 2.856 1.00 0.00 C ATOM 804 CE1 TYR A 52 1.406 13.457 3.333 1.00 0.00 C ATOM 805 CE2 TYR A 52 -0.313 11.959 2.612 1.00 0.00 C ATOM 806 CZ TYR A 52 1.015 12.223 2.850 1.00 0.00 C ATOM 807 OH TYR A 52 1.952 11.247 2.610 1.00 0.00 O ATOM 0 H TYR A 52 -3.010 13.816 5.369 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.073 15.922 5.449 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.911 14.859 3.268 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.714 16.110 2.996 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.755 15.388 3.952 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.300 12.715 2.666 1.00 0.00 H new ATOM 0 HE1 TYR A 52 2.449 13.664 3.519 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -0.614 10.993 2.234 1.00 0.00 H new ATOM 0 HH TYR A 52 1.620 10.386 2.941 1.00 0.00 H new ATOM 817 N ARG A 53 -4.258 16.671 5.306 1.00 0.00 N ATOM 818 CA ARG A 53 -5.203 17.777 5.392 1.00 0.00 C ATOM 819 C ARG A 53 -4.911 18.669 6.595 1.00 0.00 C ATOM 820 O ARG A 53 -5.182 19.869 6.567 1.00 0.00 O ATOM 821 CB ARG A 53 -6.635 17.237 5.475 1.00 0.00 C ATOM 822 CG ARG A 53 -7.695 18.313 5.666 1.00 0.00 C ATOM 823 CD ARG A 53 -8.949 17.747 6.313 1.00 0.00 C ATOM 824 NE ARG A 53 -9.679 16.861 5.410 1.00 0.00 N ATOM 825 CZ ARG A 53 -10.507 17.288 4.458 1.00 0.00 C ATOM 826 NH1 ARG A 53 -10.712 18.588 4.281 1.00 0.00 N ATOM 827 NH2 ARG A 53 -11.129 16.413 3.681 1.00 0.00 N ATOM 0 H ARG A 53 -4.680 15.745 5.374 1.00 0.00 H new ATOM 0 HA ARG A 53 -5.094 18.382 4.492 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.856 16.682 4.563 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.698 16.529 6.302 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -7.294 19.115 6.286 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.948 18.752 4.701 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.676 17.200 7.215 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -9.599 18.566 6.621 1.00 0.00 H new ATOM 0 HE ARG A 53 -9.547 15.855 5.515 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -10.234 19.265 4.876 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -11.347 18.909 3.550 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -10.974 15.414 3.812 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -11.763 16.739 2.952 1.00 0.00 H new ATOM 841 N GLN A 54 -4.387 18.075 7.658 1.00 0.00 N ATOM 842 CA GLN A 54 -4.095 18.822 8.875 1.00 0.00 C ATOM 843 C GLN A 54 -2.638 19.276 8.956 1.00 0.00 C ATOM 844 O GLN A 54 -2.280 20.045 9.849 1.00 0.00 O ATOM 845 CB GLN A 54 -4.434 17.968 10.099 1.00 0.00 C ATOM 846 CG GLN A 54 -5.917 17.948 10.433 1.00 0.00 C ATOM 847 CD GLN A 54 -6.271 16.882 11.452 1.00 0.00 C ATOM 848 OE1 GLN A 54 -6.541 17.184 12.614 1.00 0.00 O ATOM 849 NE2 GLN A 54 -6.270 15.628 11.019 1.00 0.00 N ATOM 0 H GLN A 54 -4.156 17.083 7.703 1.00 0.00 H new ATOM 0 HA GLN A 54 -4.712 19.720 8.854 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -4.095 16.947 9.925 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -3.881 18.345 10.959 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -6.212 18.925 10.817 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -6.489 17.778 9.521 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -6.040 15.424 10.046 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -6.500 14.867 11.659 1.00 0.00 H new ATOM 858 N GLN A 55 -1.786 18.793 8.053 1.00 0.00 N ATOM 859 CA GLN A 55 -0.373 19.163 8.093 1.00 0.00 C ATOM 860 C GLN A 55 0.060 20.007 6.885 1.00 0.00 C ATOM 861 O GLN A 55 1.197 19.911 6.426 1.00 0.00 O ATOM 862 CB GLN A 55 0.494 17.901 8.246 1.00 0.00 C ATOM 863 CG GLN A 55 1.032 17.321 6.949 1.00 0.00 C ATOM 864 CD GLN A 55 1.690 15.970 7.147 1.00 0.00 C ATOM 865 OE1 GLN A 55 2.588 15.817 7.973 1.00 0.00 O ATOM 866 NE2 GLN A 55 1.234 14.983 6.393 1.00 0.00 N ATOM 0 H GLN A 55 -2.043 18.157 7.298 1.00 0.00 H new ATOM 0 HA GLN A 55 -0.225 19.802 8.964 1.00 0.00 H new ATOM 0 HB2 GLN A 55 1.336 18.136 8.897 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.095 17.135 8.751 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.216 17.223 6.233 1.00 0.00 H new ATOM 0 HG3 GLN A 55 1.754 18.014 6.517 1.00 0.00 H new ATOM 0 HE21 GLN A 55 0.487 15.158 5.721 1.00 0.00 H new ATOM 0 HE22 GLN A 55 1.629 14.047 6.484 1.00 0.00 H new ATOM 875 N VAL A 56 -0.827 20.875 6.399 1.00 0.00 N ATOM 876 CA VAL A 56 -0.489 21.757 5.280 1.00 0.00 C ATOM 877 C VAL A 56 -0.426 23.198 5.768 1.00 0.00 C ATOM 878 O VAL A 56 -1.037 23.541 6.779 1.00 0.00 O ATOM 879 CB VAL A 56 -1.500 21.678 4.106 1.00 0.00 C ATOM 880 CG1 VAL A 56 -0.767 21.594 2.777 1.00 0.00 C ATOM 881 CG2 VAL A 56 -2.459 20.507 4.252 1.00 0.00 C ATOM 0 H VAL A 56 -1.775 20.987 6.757 1.00 0.00 H new ATOM 0 HA VAL A 56 0.477 21.420 4.903 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.094 22.592 4.131 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.492 21.539 1.965 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.144 22.479 2.649 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.139 20.703 2.764 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.147 20.493 3.407 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.894 19.575 4.276 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.024 20.613 5.178 1.00 0.00 H new ATOM 891 N THR A 57 0.311 24.047 5.057 1.00 0.00 N ATOM 892 CA THR A 57 0.433 25.446 5.443 1.00 0.00 C ATOM 893 C THR A 57 -0.029 26.363 4.316 1.00 0.00 C ATOM 894 O THR A 57 -0.260 25.915 3.193 1.00 0.00 O ATOM 895 CB THR A 57 1.882 25.768 5.812 1.00 0.00 C ATOM 896 OG1 THR A 57 2.767 25.330 4.796 1.00 0.00 O ATOM 897 CG2 THR A 57 2.324 25.130 7.111 1.00 0.00 C ATOM 0 H THR A 57 0.829 23.791 4.216 1.00 0.00 H new ATOM 0 HA THR A 57 -0.205 25.615 6.311 1.00 0.00 H new ATOM 0 HB THR A 57 1.917 26.851 5.927 1.00 0.00 H new ATOM 0 HG1 THR A 57 3.689 25.546 5.049 1.00 0.00 H new ATOM 0 HG21 THR A 57 3.361 25.398 7.314 1.00 0.00 H new ATOM 0 HG22 THR A 57 1.691 25.485 7.925 1.00 0.00 H new ATOM 0 HG23 THR A 57 2.239 24.046 7.032 1.00 0.00 H new ATOM 905 N GLY A 58 -0.162 27.649 4.622 1.00 0.00 N ATOM 906 CA GLY A 58 -0.596 28.607 3.623 1.00 0.00 C ATOM 907 C GLY A 58 -2.101 28.787 3.607 1.00 0.00 C ATOM 908 O GLY A 58 -2.766 28.602 4.626 1.00 0.00 O ATOM 0 H GLY A 58 0.023 28.045 5.544 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.120 29.569 3.816 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -0.262 28.278 2.639 1.00 0.00 H new ATOM 912 N GLU A 59 -2.639 29.152 2.448 1.00 0.00 N ATOM 913 CA GLU A 59 -4.076 29.357 2.303 1.00 0.00 C ATOM 914 C GLU A 59 -4.815 28.021 2.260 1.00 0.00 C ATOM 915 O GLU A 59 -4.208 26.973 2.047 1.00 0.00 O ATOM 916 CB GLU A 59 -4.373 30.163 1.036 1.00 0.00 C ATOM 917 CG GLU A 59 -4.534 31.653 1.289 1.00 0.00 C ATOM 918 CD GLU A 59 -3.715 32.500 0.334 1.00 0.00 C ATOM 919 OE1 GLU A 59 -2.533 32.164 0.107 1.00 0.00 O ATOM 920 OE2 GLU A 59 -4.255 33.498 -0.188 1.00 0.00 O ATOM 0 H GLU A 59 -2.102 29.312 1.596 1.00 0.00 H new ATOM 0 HA GLU A 59 -4.428 29.917 3.170 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.566 30.009 0.320 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.284 29.780 0.577 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.586 31.922 1.196 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -4.237 31.878 2.313 1.00 0.00 H new ATOM 927 N PRO A 60 -6.144 28.044 2.466 1.00 0.00 N ATOM 928 CA PRO A 60 -6.967 26.831 2.451 1.00 0.00 C ATOM 929 C PRO A 60 -7.051 26.198 1.065 1.00 0.00 C ATOM 930 O PRO A 60 -7.236 24.988 0.936 1.00 0.00 O ATOM 931 CB PRO A 60 -8.345 27.325 2.898 1.00 0.00 C ATOM 932 CG PRO A 60 -8.359 28.774 2.553 1.00 0.00 C ATOM 933 CD PRO A 60 -6.945 29.253 2.729 1.00 0.00 C ATOM 0 HA PRO A 60 -6.551 26.054 3.092 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -9.143 26.788 2.385 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -8.493 27.171 3.967 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -8.699 28.928 1.529 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -9.041 29.323 3.202 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.702 30.056 2.033 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.773 29.639 3.734 1.00 0.00 H new ATOM 941 N GLN A 61 -6.915 27.022 0.031 1.00 0.00 N ATOM 942 CA GLN A 61 -6.978 26.536 -1.344 1.00 0.00 C ATOM 943 C GLN A 61 -5.814 25.600 -1.644 1.00 0.00 C ATOM 944 O GLN A 61 -5.985 24.560 -2.284 1.00 0.00 O ATOM 945 CB GLN A 61 -6.976 27.709 -2.329 1.00 0.00 C ATOM 946 CG GLN A 61 -5.951 28.785 -2.001 1.00 0.00 C ATOM 947 CD GLN A 61 -4.964 29.014 -3.129 1.00 0.00 C ATOM 948 OE1 GLN A 61 -4.641 30.155 -3.464 1.00 0.00 O ATOM 949 NE2 GLN A 61 -4.478 27.930 -3.720 1.00 0.00 N ATOM 0 H GLN A 61 -6.761 28.027 0.118 1.00 0.00 H new ATOM 0 HA GLN A 61 -7.908 25.979 -1.461 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -6.782 27.329 -3.332 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -7.969 28.159 -2.346 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -6.468 29.719 -1.781 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -5.408 28.501 -1.100 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -4.773 27.004 -3.410 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -3.809 28.022 -4.484 1.00 0.00 H new ATOM 958 N GLU A 62 -4.630 25.969 -1.171 1.00 0.00 N ATOM 959 CA GLU A 62 -3.439 25.158 -1.384 1.00 0.00 C ATOM 960 C GLU A 62 -3.584 23.809 -0.696 1.00 0.00 C ATOM 961 O GLU A 62 -3.306 22.766 -1.291 1.00 0.00 O ATOM 962 CB GLU A 62 -2.200 25.879 -0.856 1.00 0.00 C ATOM 963 CG GLU A 62 -1.619 26.887 -1.834 1.00 0.00 C ATOM 964 CD GLU A 62 -1.859 28.322 -1.407 1.00 0.00 C ATOM 965 OE1 GLU A 62 -1.545 28.656 -0.245 1.00 0.00 O ATOM 966 OE2 GLU A 62 -2.364 29.111 -2.233 1.00 0.00 O ATOM 0 H GLU A 62 -4.470 26.824 -0.638 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.323 24.997 -2.456 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.456 26.391 0.072 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.436 25.140 -0.612 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.547 26.716 -1.932 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.059 26.727 -2.819 1.00 0.00 H new ATOM 973 N ARG A 63 -4.031 23.830 0.558 1.00 0.00 N ATOM 974 CA ARG A 63 -4.221 22.598 1.312 1.00 0.00 C ATOM 975 C ARG A 63 -5.140 21.659 0.545 1.00 0.00 C ATOM 976 O ARG A 63 -4.828 20.484 0.341 1.00 0.00 O ATOM 977 CB ARG A 63 -4.836 22.905 2.676 1.00 0.00 C ATOM 978 CG ARG A 63 -4.097 23.978 3.453 1.00 0.00 C ATOM 979 CD ARG A 63 -4.133 23.695 4.943 1.00 0.00 C ATOM 980 NE ARG A 63 -3.517 24.768 5.722 1.00 0.00 N ATOM 981 CZ ARG A 63 -4.170 25.521 6.609 1.00 0.00 C ATOM 982 NH1 ARG A 63 -5.463 25.326 6.843 1.00 0.00 N ATOM 983 NH2 ARG A 63 -3.526 26.475 7.265 1.00 0.00 N ATOM 0 H ARG A 63 -4.266 24.681 1.068 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.251 22.122 1.455 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.870 23.219 2.536 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -4.858 21.990 3.269 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -3.062 24.029 3.114 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -4.546 24.951 3.253 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -5.167 23.564 5.262 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -3.616 22.757 5.146 1.00 0.00 H new ATOM 0 HE ARG A 63 -2.524 24.953 5.578 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -5.967 24.594 6.342 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -5.952 25.908 7.523 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -2.533 26.632 7.091 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -4.023 27.052 7.944 1.00 0.00 H new ATOM 997 N ASP A 64 -6.285 22.193 0.135 1.00 0.00 N ATOM 998 CA ASP A 64 -7.270 21.416 -0.598 1.00 0.00 C ATOM 999 C ASP A 64 -6.669 20.789 -1.850 1.00 0.00 C ATOM 1000 O ASP A 64 -6.952 19.630 -2.160 1.00 0.00 O ATOM 1001 CB ASP A 64 -8.464 22.295 -0.976 1.00 0.00 C ATOM 1002 CG ASP A 64 -9.734 21.493 -1.176 1.00 0.00 C ATOM 1003 OD1 ASP A 64 -9.768 20.657 -2.104 1.00 0.00 O ATOM 1004 OD2 ASP A 64 -10.695 21.699 -0.405 1.00 0.00 O ATOM 0 H ASP A 64 -6.552 23.164 0.300 1.00 0.00 H new ATOM 0 HA ASP A 64 -7.607 20.610 0.054 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -8.626 23.038 -0.195 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -8.234 22.840 -1.891 1.00 0.00 H new ATOM 1009 N LYS A 65 -5.836 21.537 -2.577 1.00 0.00 N ATOM 1010 CA LYS A 65 -5.221 21.004 -3.786 1.00 0.00 C ATOM 1011 C LYS A 65 -4.380 19.781 -3.455 1.00 0.00 C ATOM 1012 O LYS A 65 -4.506 18.734 -4.088 1.00 0.00 O ATOM 1013 CB LYS A 65 -4.357 22.079 -4.450 1.00 0.00 C ATOM 1014 CG LYS A 65 -3.593 21.593 -5.671 1.00 0.00 C ATOM 1015 CD LYS A 65 -2.471 22.549 -6.037 1.00 0.00 C ATOM 1016 CE LYS A 65 -2.950 23.637 -6.984 1.00 0.00 C ATOM 1017 NZ LYS A 65 -2.579 23.348 -8.396 1.00 0.00 N ATOM 0 H LYS A 65 -5.577 22.498 -2.352 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.007 20.706 -4.479 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.995 22.914 -4.742 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.646 22.462 -3.718 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -3.181 20.603 -5.474 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.277 21.492 -6.514 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -2.070 23.004 -5.131 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.656 21.994 -6.502 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -4.033 23.735 -6.906 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -2.521 24.593 -6.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -2.924 24.114 -9.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -1.544 23.280 -8.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -3.009 22.448 -8.691 1.00 0.00 H new ATOM 1031 N ALA A 66 -3.523 19.923 -2.455 1.00 0.00 N ATOM 1032 CA ALA A 66 -2.663 18.828 -2.034 1.00 0.00 C ATOM 1033 C ALA A 66 -3.498 17.612 -1.656 1.00 0.00 C ATOM 1034 O ALA A 66 -3.089 16.472 -1.873 1.00 0.00 O ATOM 1035 CB ALA A 66 -1.790 19.260 -0.864 1.00 0.00 C ATOM 0 H ALA A 66 -3.405 20.784 -1.921 1.00 0.00 H new ATOM 0 HA ALA A 66 -2.015 18.555 -2.867 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -1.152 18.430 -0.560 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.169 20.104 -1.165 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.423 19.556 -0.028 1.00 0.00 H new ATOM 1041 N LEU A 67 -4.675 17.867 -1.091 1.00 0.00 N ATOM 1042 CA LEU A 67 -5.578 16.798 -0.681 1.00 0.00 C ATOM 1043 C LEU A 67 -6.129 16.043 -1.885 1.00 0.00 C ATOM 1044 O LEU A 67 -6.247 14.816 -1.856 1.00 0.00 O ATOM 1045 CB LEU A 67 -6.728 17.370 0.148 1.00 0.00 C ATOM 1046 CG LEU A 67 -6.581 17.201 1.660 1.00 0.00 C ATOM 1047 CD1 LEU A 67 -5.222 17.705 2.125 1.00 0.00 C ATOM 1048 CD2 LEU A 67 -7.702 17.934 2.384 1.00 0.00 C ATOM 0 H LEU A 67 -5.025 18.807 -0.907 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.009 16.094 -0.073 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.824 18.432 -0.076 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.656 16.893 -0.167 1.00 0.00 H new ATOM 0 HG LEU A 67 -6.650 16.140 1.899 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.136 17.576 3.204 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.434 17.139 1.628 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.121 18.761 1.876 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.585 17.805 3.460 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.661 18.995 2.139 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.664 17.527 2.072 1.00 0.00 H new ATOM 1060 N GLN A 68 -6.458 16.770 -2.949 1.00 0.00 N ATOM 1061 CA GLN A 68 -6.982 16.141 -4.153 1.00 0.00 C ATOM 1062 C GLN A 68 -5.880 15.351 -4.851 1.00 0.00 C ATOM 1063 O GLN A 68 -6.078 14.205 -5.258 1.00 0.00 O ATOM 1064 CB GLN A 68 -7.591 17.195 -5.094 1.00 0.00 C ATOM 1065 CG GLN A 68 -6.654 17.684 -6.191 1.00 0.00 C ATOM 1066 CD GLN A 68 -7.228 18.852 -6.969 1.00 0.00 C ATOM 1067 OE1 GLN A 68 -8.269 19.402 -6.608 1.00 0.00 O ATOM 1068 NE2 GLN A 68 -6.552 19.237 -8.045 1.00 0.00 N ATOM 0 H GLN A 68 -6.372 17.785 -3.001 1.00 0.00 H new ATOM 0 HA GLN A 68 -7.776 15.449 -3.873 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.484 16.776 -5.558 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.912 18.051 -4.500 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -5.704 17.980 -5.747 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -6.444 16.863 -6.877 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -5.694 18.753 -8.308 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -6.891 20.017 -8.608 1.00 0.00 H new ATOM 1077 N GLU A 69 -4.712 15.973 -4.973 1.00 0.00 N ATOM 1078 CA GLU A 69 -3.572 15.331 -5.604 1.00 0.00 C ATOM 1079 C GLU A 69 -3.153 14.102 -4.809 1.00 0.00 C ATOM 1080 O GLU A 69 -2.696 13.113 -5.376 1.00 0.00 O ATOM 1081 CB GLU A 69 -2.402 16.311 -5.721 1.00 0.00 C ATOM 1082 CG GLU A 69 -1.998 16.608 -7.156 1.00 0.00 C ATOM 1083 CD GLU A 69 -0.904 17.654 -7.248 1.00 0.00 C ATOM 1084 OE1 GLU A 69 0.268 17.310 -6.989 1.00 0.00 O ATOM 1085 OE2 GLU A 69 -1.219 18.817 -7.580 1.00 0.00 O ATOM 0 H GLU A 69 -4.533 16.921 -4.642 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.862 15.018 -6.607 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.671 17.245 -5.227 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.543 15.904 -5.187 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.657 15.688 -7.632 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.871 16.950 -7.712 1.00 0.00 H new ATOM 1092 N LEU A 70 -3.325 14.166 -3.491 1.00 0.00 N ATOM 1093 CA LEU A 70 -2.975 13.044 -2.632 1.00 0.00 C ATOM 1094 C LEU A 70 -3.888 11.866 -2.931 1.00 0.00 C ATOM 1095 O LEU A 70 -3.431 10.738 -3.122 1.00 0.00 O ATOM 1096 CB LEU A 70 -3.088 13.439 -1.157 1.00 0.00 C ATOM 1097 CG LEU A 70 -1.783 13.365 -0.362 1.00 0.00 C ATOM 1098 CD1 LEU A 70 -1.359 11.918 -0.169 1.00 0.00 C ATOM 1099 CD2 LEU A 70 -0.686 14.156 -1.060 1.00 0.00 C ATOM 0 H LEU A 70 -3.702 14.977 -3.000 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.942 12.758 -2.831 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.473 14.457 -1.098 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.823 12.792 -0.679 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.952 13.808 0.620 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.429 11.884 0.398 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.136 11.381 0.375 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.208 11.450 -1.142 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.234 14.092 -0.480 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.517 13.744 -2.055 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.988 15.200 -1.146 1.00 0.00 H new ATOM 1111 N ARG A 71 -5.188 12.139 -2.962 1.00 0.00 N ATOM 1112 CA ARG A 71 -6.180 11.106 -3.229 1.00 0.00 C ATOM 1113 C ARG A 71 -5.880 10.397 -4.545 1.00 0.00 C ATOM 1114 O ARG A 71 -5.896 9.167 -4.613 1.00 0.00 O ATOM 1115 CB ARG A 71 -7.582 11.717 -3.272 1.00 0.00 C ATOM 1116 CG ARG A 71 -8.697 10.683 -3.296 1.00 0.00 C ATOM 1117 CD ARG A 71 -9.382 10.625 -4.653 1.00 0.00 C ATOM 1118 NE ARG A 71 -10.067 11.874 -4.977 1.00 0.00 N ATOM 1119 CZ ARG A 71 -9.571 12.815 -5.782 1.00 0.00 C ATOM 1120 NH1 ARG A 71 -8.377 12.664 -6.343 1.00 0.00 N ATOM 1121 NH2 ARG A 71 -10.272 13.914 -6.023 1.00 0.00 N ATOM 0 H ARG A 71 -5.579 13.068 -2.805 1.00 0.00 H new ATOM 0 HA ARG A 71 -6.136 10.374 -2.423 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -7.715 12.362 -2.403 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -7.666 12.350 -4.155 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -8.289 9.702 -3.052 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -9.432 10.922 -2.527 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -8.642 10.408 -5.423 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -10.101 9.805 -4.661 1.00 0.00 H new ATOM 0 HE ARG A 71 -10.984 12.037 -4.561 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -7.830 11.823 -6.160 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -8.007 13.389 -6.957 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -11.189 14.039 -5.593 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -9.895 14.635 -6.638 1.00 0.00 H new ATOM 1135 N GLN A 72 -5.585 11.172 -5.586 1.00 0.00 N ATOM 1136 CA GLN A 72 -5.264 10.591 -6.882 1.00 0.00 C ATOM 1137 C GLN A 72 -3.913 9.881 -6.818 1.00 0.00 C ATOM 1138 O GLN A 72 -3.688 8.877 -7.499 1.00 0.00 O ATOM 1139 CB GLN A 72 -5.269 11.673 -7.974 1.00 0.00 C ATOM 1140 CG GLN A 72 -3.967 12.456 -8.095 1.00 0.00 C ATOM 1141 CD GLN A 72 -3.186 12.098 -9.344 1.00 0.00 C ATOM 1142 OE1 GLN A 72 -3.027 10.922 -9.676 1.00 0.00 O ATOM 1143 NE2 GLN A 72 -2.692 13.112 -10.045 1.00 0.00 N ATOM 0 H GLN A 72 -5.562 12.191 -5.557 1.00 0.00 H new ATOM 0 HA GLN A 72 -6.026 9.855 -7.138 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -5.485 11.202 -8.933 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -6.081 12.372 -7.772 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -4.188 13.523 -8.103 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -3.349 12.265 -7.217 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -2.848 14.071 -9.734 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -2.157 12.932 -10.895 1.00 0.00 H new ATOM 1152 N GLU A 73 -3.021 10.408 -5.983 1.00 0.00 N ATOM 1153 CA GLU A 73 -1.696 9.831 -5.813 1.00 0.00 C ATOM 1154 C GLU A 73 -1.789 8.411 -5.273 1.00 0.00 C ATOM 1155 O GLU A 73 -1.133 7.504 -5.783 1.00 0.00 O ATOM 1156 CB GLU A 73 -0.849 10.692 -4.871 1.00 0.00 C ATOM 1157 CG GLU A 73 0.480 11.122 -5.469 1.00 0.00 C ATOM 1158 CD GLU A 73 0.316 12.135 -6.585 1.00 0.00 C ATOM 1159 OE1 GLU A 73 0.296 13.348 -6.287 1.00 0.00 O ATOM 1160 OE2 GLU A 73 0.208 11.715 -7.756 1.00 0.00 O ATOM 0 H GLU A 73 -3.195 11.236 -5.413 1.00 0.00 H new ATOM 0 HA GLU A 73 -1.216 9.802 -6.791 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -1.418 11.580 -4.594 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -0.661 10.135 -3.953 1.00 0.00 H new ATOM 0 HG2 GLU A 73 1.106 11.548 -4.685 1.00 0.00 H new ATOM 0 HG3 GLU A 73 1.002 10.246 -5.853 1.00 0.00 H new ATOM 1167 N LEU A 74 -2.622 8.215 -4.253 1.00 0.00 N ATOM 1168 CA LEU A 74 -2.810 6.897 -3.667 1.00 0.00 C ATOM 1169 C LEU A 74 -3.499 5.972 -4.658 1.00 0.00 C ATOM 1170 O LEU A 74 -3.114 4.817 -4.823 1.00 0.00 O ATOM 1171 CB LEU A 74 -3.633 7.000 -2.381 1.00 0.00 C ATOM 1172 CG LEU A 74 -3.167 8.080 -1.401 1.00 0.00 C ATOM 1173 CD1 LEU A 74 -4.358 8.731 -0.712 1.00 0.00 C ATOM 1174 CD2 LEU A 74 -2.210 7.490 -0.377 1.00 0.00 C ATOM 0 H LEU A 74 -3.175 8.953 -3.818 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.832 6.482 -3.424 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.672 7.195 -2.647 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.609 6.035 -1.874 1.00 0.00 H new ATOM 0 HG LEU A 74 -2.638 8.850 -1.963 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -4.005 9.495 -0.020 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.005 9.190 -1.460 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.918 7.975 -0.162 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.888 8.271 0.312 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.714 6.700 0.179 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.341 7.076 -0.888 1.00 0.00 H new ATOM 1186 N ASN A 75 -4.536 6.491 -5.307 1.00 0.00 N ATOM 1187 CA ASN A 75 -5.299 5.712 -6.277 1.00 0.00 C ATOM 1188 C ASN A 75 -4.376 5.088 -7.319 1.00 0.00 C ATOM 1189 O ASN A 75 -4.550 3.932 -7.701 1.00 0.00 O ATOM 1190 CB ASN A 75 -6.343 6.594 -6.966 1.00 0.00 C ATOM 1191 CG ASN A 75 -7.460 7.009 -6.029 1.00 0.00 C ATOM 1192 OD1 ASN A 75 -7.777 8.193 -5.909 1.00 0.00 O ATOM 1193 ND2 ASN A 75 -8.066 6.035 -5.360 1.00 0.00 N ATOM 0 H ASN A 75 -4.868 7.447 -5.179 1.00 0.00 H new ATOM 0 HA ASN A 75 -5.808 4.911 -5.741 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -5.856 7.485 -7.363 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -6.766 6.056 -7.815 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -8.826 6.255 -4.716 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -7.771 5.067 -5.490 1.00 0.00 H new ATOM 1200 N THR A 76 -3.392 5.856 -7.766 1.00 0.00 N ATOM 1201 CA THR A 76 -2.439 5.368 -8.758 1.00 0.00 C ATOM 1202 C THR A 76 -1.352 4.515 -8.102 1.00 0.00 C ATOM 1203 O THR A 76 -1.064 3.407 -8.550 1.00 0.00 O ATOM 1204 CB THR A 76 -1.799 6.541 -9.501 1.00 0.00 C ATOM 1205 OG1 THR A 76 -1.679 7.667 -8.650 1.00 0.00 O ATOM 1206 CG2 THR A 76 -2.577 6.972 -10.725 1.00 0.00 C ATOM 0 H THR A 76 -3.231 6.816 -7.460 1.00 0.00 H new ATOM 0 HA THR A 76 -2.983 4.747 -9.469 1.00 0.00 H new ATOM 0 HB THR A 76 -0.821 6.181 -9.821 1.00 0.00 H new ATOM 0 HG1 THR A 76 -2.531 8.150 -8.624 1.00 0.00 H new ATOM 0 HG21 THR A 76 -2.067 7.808 -11.204 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.645 6.139 -11.425 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.580 7.280 -10.429 1.00 0.00 H new ATOM 1214 N LEU A 77 -0.745 5.054 -7.049 1.00 0.00 N ATOM 1215 CA LEU A 77 0.326 4.363 -6.332 1.00 0.00 C ATOM 1216 C LEU A 77 -0.113 2.985 -5.832 1.00 0.00 C ATOM 1217 O LEU A 77 0.692 2.055 -5.775 1.00 0.00 O ATOM 1218 CB LEU A 77 0.805 5.213 -5.154 1.00 0.00 C ATOM 1219 CG LEU A 77 2.111 5.973 -5.395 1.00 0.00 C ATOM 1220 CD1 LEU A 77 2.356 6.979 -4.283 1.00 0.00 C ATOM 1221 CD2 LEU A 77 3.276 5.002 -5.507 1.00 0.00 C ATOM 0 H LEU A 77 -0.977 5.972 -6.670 1.00 0.00 H new ATOM 0 HA LEU A 77 1.145 4.215 -7.036 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.025 5.932 -4.903 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.933 4.566 -4.287 1.00 0.00 H new ATOM 0 HG LEU A 77 2.026 6.518 -6.335 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.289 7.510 -4.472 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.533 7.693 -4.250 1.00 0.00 H new ATOM 0 HD13 LEU A 77 2.422 6.457 -3.328 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.198 5.558 -5.678 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.363 4.430 -4.583 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.103 4.321 -6.340 1.00 0.00 H new ATOM 1233 N ALA A 78 -1.377 2.865 -5.447 1.00 0.00 N ATOM 1234 CA ALA A 78 -1.904 1.605 -4.927 1.00 0.00 C ATOM 1235 C ALA A 78 -2.115 0.563 -6.025 1.00 0.00 C ATOM 1236 O ALA A 78 -2.044 -0.639 -5.767 1.00 0.00 O ATOM 1237 CB ALA A 78 -3.208 1.853 -4.185 1.00 0.00 C ATOM 0 H ALA A 78 -2.058 3.623 -5.484 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.160 1.202 -4.240 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -3.593 0.908 -3.801 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.030 2.537 -3.355 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.937 2.292 -4.867 1.00 0.00 H new ATOM 1243 N ASN A 79 -2.388 1.020 -7.242 1.00 0.00 N ATOM 1244 CA ASN A 79 -2.623 0.111 -8.364 1.00 0.00 C ATOM 1245 C ASN A 79 -1.477 -0.889 -8.545 1.00 0.00 C ATOM 1246 O ASN A 79 -1.712 -2.093 -8.658 1.00 0.00 O ATOM 1247 CB ASN A 79 -2.825 0.906 -9.654 1.00 0.00 C ATOM 1248 CG ASN A 79 -3.806 0.239 -10.598 1.00 0.00 C ATOM 1249 OD1 ASN A 79 -4.901 -0.154 -10.198 1.00 0.00 O ATOM 1250 ND2 ASN A 79 -3.415 0.107 -11.861 1.00 0.00 N ATOM 0 H ASN A 79 -2.452 2.010 -7.479 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.525 -0.457 -8.137 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.184 1.906 -9.409 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -1.866 1.026 -10.157 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -4.032 -0.335 -12.542 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -2.498 0.448 -12.149 1.00 0.00 H new ATOM 1257 N PRO A 80 -0.218 -0.411 -8.590 1.00 0.00 N ATOM 1258 CA PRO A 80 0.950 -1.282 -8.774 1.00 0.00 C ATOM 1259 C PRO A 80 1.216 -2.193 -7.578 1.00 0.00 C ATOM 1260 O PRO A 80 1.572 -3.362 -7.747 1.00 0.00 O ATOM 1261 CB PRO A 80 2.108 -0.298 -8.962 1.00 0.00 C ATOM 1262 CG PRO A 80 1.654 0.954 -8.298 1.00 0.00 C ATOM 1263 CD PRO A 80 0.164 1.007 -8.490 1.00 0.00 C ATOM 0 HA PRO A 80 0.806 -1.964 -9.612 1.00 0.00 H new ATOM 0 HB2 PRO A 80 3.025 -0.675 -8.510 1.00 0.00 H new ATOM 0 HB3 PRO A 80 2.318 -0.132 -10.019 1.00 0.00 H new ATOM 0 HG2 PRO A 80 1.911 0.949 -7.239 1.00 0.00 H new ATOM 0 HG3 PRO A 80 2.136 1.827 -8.739 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -0.332 1.499 -7.653 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -0.106 1.560 -9.390 1.00 0.00 H new ATOM 1271 N PHE A 81 1.038 -1.669 -6.367 1.00 0.00 N ATOM 1272 CA PHE A 81 1.258 -2.450 -5.156 1.00 0.00 C ATOM 1273 C PHE A 81 0.271 -3.610 -5.080 1.00 0.00 C ATOM 1274 O PHE A 81 0.659 -4.771 -4.926 1.00 0.00 O ATOM 1275 CB PHE A 81 1.104 -1.540 -3.932 1.00 0.00 C ATOM 1276 CG PHE A 81 1.163 -2.251 -2.608 1.00 0.00 C ATOM 1277 CD1 PHE A 81 1.961 -3.370 -2.430 1.00 0.00 C ATOM 1278 CD2 PHE A 81 0.421 -1.784 -1.533 1.00 0.00 C ATOM 1279 CE1 PHE A 81 2.018 -4.011 -1.205 1.00 0.00 C ATOM 1280 CE2 PHE A 81 0.472 -2.417 -0.308 1.00 0.00 C ATOM 1281 CZ PHE A 81 1.272 -3.532 -0.143 1.00 0.00 C ATOM 0 H PHE A 81 0.742 -0.707 -6.200 1.00 0.00 H new ATOM 0 HA PHE A 81 2.266 -2.864 -5.176 1.00 0.00 H new ATOM 0 HB2 PHE A 81 1.888 -0.784 -3.958 1.00 0.00 H new ATOM 0 HB3 PHE A 81 0.152 -1.015 -4.005 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.545 -3.746 -3.257 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -0.205 -0.913 -1.657 1.00 0.00 H new ATOM 0 HE1 PHE A 81 2.643 -4.883 -1.078 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -0.112 -2.042 0.520 1.00 0.00 H new ATOM 0 HZ PHE A 81 1.315 -4.029 0.815 1.00 0.00 H new ATOM 1291 N LEU A 82 -1.012 -3.282 -5.195 1.00 0.00 N ATOM 1292 CA LEU A 82 -2.064 -4.285 -5.143 1.00 0.00 C ATOM 1293 C LEU A 82 -1.858 -5.341 -6.221 1.00 0.00 C ATOM 1294 O LEU A 82 -2.208 -6.503 -6.031 1.00 0.00 O ATOM 1295 CB LEU A 82 -3.436 -3.630 -5.305 1.00 0.00 C ATOM 1296 CG LEU A 82 -3.837 -2.676 -4.177 1.00 0.00 C ATOM 1297 CD1 LEU A 82 -5.098 -1.910 -4.549 1.00 0.00 C ATOM 1298 CD2 LEU A 82 -4.041 -3.442 -2.879 1.00 0.00 C ATOM 0 H LEU A 82 -1.346 -2.327 -5.325 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.020 -4.772 -4.169 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.450 -3.081 -6.247 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.189 -4.414 -5.382 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.030 -1.958 -4.030 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -5.368 -1.237 -3.735 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.918 -1.331 -5.455 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.912 -2.613 -4.724 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.326 -2.748 -2.088 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.830 -4.182 -3.013 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -3.114 -3.945 -2.604 1.00 0.00 H new ATOM 1310 N ALA A 83 -1.281 -4.938 -7.352 1.00 0.00 N ATOM 1311 CA ALA A 83 -1.029 -5.866 -8.445 1.00 0.00 C ATOM 1312 C ALA A 83 0.043 -6.877 -8.059 1.00 0.00 C ATOM 1313 O ALA A 83 -0.102 -8.075 -8.297 1.00 0.00 O ATOM 1314 CB ALA A 83 -0.619 -5.109 -9.699 1.00 0.00 C ATOM 0 H ALA A 83 -0.982 -3.980 -7.532 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.951 -6.409 -8.652 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.434 -5.817 -10.507 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.418 -4.427 -9.990 1.00 0.00 H new ATOM 0 HB3 ALA A 83 0.289 -4.540 -9.500 1.00 0.00 H new ATOM 1320 N LYS A 84 1.122 -6.389 -7.457 1.00 0.00 N ATOM 1321 CA LYS A 84 2.209 -7.265 -7.034 1.00 0.00 C ATOM 1322 C LYS A 84 1.704 -8.304 -6.040 1.00 0.00 C ATOM 1323 O LYS A 84 2.068 -9.480 -6.109 1.00 0.00 O ATOM 1324 CB LYS A 84 3.340 -6.450 -6.401 1.00 0.00 C ATOM 1325 CG LYS A 84 4.153 -5.653 -7.406 1.00 0.00 C ATOM 1326 CD LYS A 84 4.938 -6.564 -8.338 1.00 0.00 C ATOM 1327 CE LYS A 84 4.802 -6.130 -9.788 1.00 0.00 C ATOM 1328 NZ LYS A 84 5.173 -7.221 -10.731 1.00 0.00 N ATOM 0 H LYS A 84 1.267 -5.400 -7.252 1.00 0.00 H new ATOM 0 HA LYS A 84 2.593 -7.778 -7.916 1.00 0.00 H new ATOM 0 HB2 LYS A 84 2.916 -5.766 -5.666 1.00 0.00 H new ATOM 0 HB3 LYS A 84 4.005 -7.125 -5.862 1.00 0.00 H new ATOM 0 HG2 LYS A 84 3.488 -5.018 -7.991 1.00 0.00 H new ATOM 0 HG3 LYS A 84 4.840 -4.993 -6.877 1.00 0.00 H new ATOM 0 HD2 LYS A 84 5.990 -6.558 -8.053 1.00 0.00 H new ATOM 0 HD3 LYS A 84 4.584 -7.589 -8.229 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.775 -5.819 -9.979 1.00 0.00 H new ATOM 0 HE3 LYS A 84 5.437 -5.263 -9.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 5.067 -6.885 -11.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 6.161 -7.501 -10.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 4.551 -8.040 -10.577 1.00 0.00 H new ATOM 1342 N TYR A 85 0.857 -7.864 -5.115 1.00 0.00 N ATOM 1343 CA TYR A 85 0.314 -8.770 -4.112 1.00 0.00 C ATOM 1344 C TYR A 85 -0.802 -9.640 -4.683 1.00 0.00 C ATOM 1345 O TYR A 85 -0.924 -10.805 -4.316 1.00 0.00 O ATOM 1346 CB TYR A 85 -0.173 -8.014 -2.877 1.00 0.00 C ATOM 1347 CG TYR A 85 0.267 -8.670 -1.588 1.00 0.00 C ATOM 1348 CD1 TYR A 85 1.613 -8.911 -1.336 1.00 0.00 C ATOM 1349 CD2 TYR A 85 -0.658 -9.065 -0.629 1.00 0.00 C ATOM 1350 CE1 TYR A 85 2.025 -9.523 -0.167 1.00 0.00 C ATOM 1351 CE2 TYR A 85 -0.254 -9.675 0.544 1.00 0.00 C ATOM 1352 CZ TYR A 85 1.088 -9.902 0.770 1.00 0.00 C ATOM 1353 OH TYR A 85 1.492 -10.511 1.936 1.00 0.00 O ATOM 0 H TYR A 85 0.536 -6.899 -5.040 1.00 0.00 H new ATOM 0 HA TYR A 85 1.128 -9.427 -3.806 1.00 0.00 H new ATOM 0 HB2 TYR A 85 0.204 -6.992 -2.908 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -1.261 -7.953 -2.897 1.00 0.00 H new ATOM 0 HD1 TYR A 85 2.350 -8.615 -2.067 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -1.710 -8.893 -0.803 1.00 0.00 H new ATOM 0 HE1 TYR A 85 3.075 -9.703 0.011 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -0.986 -9.973 1.280 1.00 0.00 H new ATOM 0 HH TYR A 85 2.387 -10.193 2.178 1.00 0.00 H new ATOM 1363 N ARG A 86 -1.608 -9.089 -5.585 1.00 0.00 N ATOM 1364 CA ARG A 86 -2.690 -9.864 -6.186 1.00 0.00 C ATOM 1365 C ARG A 86 -2.110 -11.016 -7.002 1.00 0.00 C ATOM 1366 O ARG A 86 -2.631 -12.131 -6.981 1.00 0.00 O ATOM 1367 CB ARG A 86 -3.596 -8.977 -7.055 1.00 0.00 C ATOM 1368 CG ARG A 86 -3.135 -8.822 -8.498 1.00 0.00 C ATOM 1369 CD ARG A 86 -4.128 -8.010 -9.314 1.00 0.00 C ATOM 1370 NE ARG A 86 -3.572 -7.595 -10.599 1.00 0.00 N ATOM 1371 CZ ARG A 86 -4.209 -6.808 -11.463 1.00 0.00 C ATOM 1372 NH1 ARG A 86 -5.423 -6.350 -11.182 1.00 0.00 N ATOM 1373 NH2 ARG A 86 -3.631 -6.478 -12.610 1.00 0.00 N ATOM 0 H ARG A 86 -1.536 -8.126 -5.912 1.00 0.00 H new ATOM 0 HA ARG A 86 -3.307 -10.274 -5.387 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -4.603 -9.395 -7.052 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -3.660 -7.989 -6.600 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.160 -8.335 -8.520 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -3.010 -9.806 -8.949 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -5.028 -8.602 -9.483 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -4.428 -7.128 -8.747 1.00 0.00 H new ATOM 0 HE ARG A 86 -2.641 -7.928 -10.849 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -5.871 -6.601 -10.301 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -5.907 -5.747 -11.847 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.698 -6.827 -12.830 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -4.119 -5.875 -13.272 1.00 0.00 H new ATOM 1387 N ASP A 87 -1.013 -10.739 -7.703 1.00 0.00 N ATOM 1388 CA ASP A 87 -0.341 -11.752 -8.505 1.00 0.00 C ATOM 1389 C ASP A 87 0.377 -12.739 -7.591 1.00 0.00 C ATOM 1390 O ASP A 87 0.413 -13.941 -7.854 1.00 0.00 O ATOM 1391 CB ASP A 87 0.654 -11.100 -9.469 1.00 0.00 C ATOM 1392 CG ASP A 87 0.412 -11.503 -10.910 1.00 0.00 C ATOM 1393 OD1 ASP A 87 -0.705 -11.262 -11.414 1.00 0.00 O ATOM 1394 OD2 ASP A 87 1.339 -12.060 -11.536 1.00 0.00 O ATOM 0 H ASP A 87 -0.572 -9.820 -7.730 1.00 0.00 H new ATOM 0 HA ASP A 87 -1.086 -12.288 -9.093 1.00 0.00 H new ATOM 0 HB2 ASP A 87 0.583 -10.016 -9.381 1.00 0.00 H new ATOM 0 HB3 ASP A 87 1.668 -11.378 -9.182 1.00 0.00 H new ATOM 1399 N PHE A 88 0.932 -12.213 -6.503 1.00 0.00 N ATOM 1400 CA PHE A 88 1.638 -13.025 -5.519 1.00 0.00 C ATOM 1401 C PHE A 88 0.656 -13.914 -4.755 1.00 0.00 C ATOM 1402 O PHE A 88 1.000 -15.012 -4.326 1.00 0.00 O ATOM 1403 CB PHE A 88 2.382 -12.110 -4.544 1.00 0.00 C ATOM 1404 CG PHE A 88 3.436 -12.798 -3.725 1.00 0.00 C ATOM 1405 CD1 PHE A 88 4.234 -13.789 -4.274 1.00 0.00 C ATOM 1406 CD2 PHE A 88 3.632 -12.442 -2.400 1.00 0.00 C ATOM 1407 CE1 PHE A 88 5.207 -14.412 -3.516 1.00 0.00 C ATOM 1408 CE2 PHE A 88 4.603 -13.060 -1.637 1.00 0.00 C ATOM 1409 CZ PHE A 88 5.392 -14.047 -2.196 1.00 0.00 C ATOM 0 H PHE A 88 0.905 -11.218 -6.280 1.00 0.00 H new ATOM 0 HA PHE A 88 2.353 -13.666 -6.035 1.00 0.00 H new ATOM 0 HB2 PHE A 88 2.848 -11.302 -5.108 1.00 0.00 H new ATOM 0 HB3 PHE A 88 1.658 -11.652 -3.870 1.00 0.00 H new ATOM 0 HD1 PHE A 88 4.094 -14.077 -5.305 1.00 0.00 H new ATOM 0 HD2 PHE A 88 3.017 -11.671 -1.959 1.00 0.00 H new ATOM 0 HE1 PHE A 88 5.822 -15.184 -3.955 1.00 0.00 H new ATOM 0 HE2 PHE A 88 4.745 -12.773 -0.606 1.00 0.00 H new ATOM 0 HZ PHE A 88 6.152 -14.533 -1.602 1.00 0.00 H new ATOM 1419 N LEU A 89 -0.576 -13.429 -4.628 1.00 0.00 N ATOM 1420 CA LEU A 89 -1.631 -14.183 -3.952 1.00 0.00 C ATOM 1421 C LEU A 89 -2.203 -15.252 -4.881 1.00 0.00 C ATOM 1422 O LEU A 89 -2.423 -16.395 -4.481 1.00 0.00 O ATOM 1423 CB LEU A 89 -2.749 -13.247 -3.478 1.00 0.00 C ATOM 1424 CG LEU A 89 -2.433 -12.399 -2.236 1.00 0.00 C ATOM 1425 CD1 LEU A 89 -3.717 -11.965 -1.549 1.00 0.00 C ATOM 1426 CD2 LEU A 89 -1.544 -13.162 -1.262 1.00 0.00 C ATOM 0 H LEU A 89 -0.869 -12.519 -4.983 1.00 0.00 H new ATOM 0 HA LEU A 89 -1.194 -14.671 -3.081 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.006 -12.575 -4.297 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.635 -13.847 -3.269 1.00 0.00 H new ATOM 0 HG LEU A 89 -1.892 -11.511 -2.564 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -3.475 -11.365 -0.671 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -4.317 -11.372 -2.240 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.281 -12.846 -1.242 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -1.337 -12.538 -0.393 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.052 -14.072 -0.942 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.607 -13.423 -1.753 1.00 0.00 H new