USER MOD reduce.3.24.130724 H: found=0, std=0, add=747, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 751 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 75 ASN : amide:sc= -1.79 K(o=-4,f=-7.9!) USER MOD Set 1.2: A 76 MET CE :methyl 146:sc= -2.21 (180deg=-1.67) USER MOD Single : A 4 ASN :FLIP amide:sc= -1.03 F(o=-4.2,f=-1) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.101 USER MOD Single : A 10 GLN : amide:sc= -0.0643 X(o=-0.064,f=-0.47) USER MOD Single : A 13 GLN : amide:sc= -1.28 X(o=-1.3,f=-1.2) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 75:sc= 0.719 USER MOD Single : A 24 THR OG1 : rot -74:sc= 0.946 USER MOD Single : A 29 SER OG : rot -127:sc= 0.579 USER MOD Single : A 31 SER OG : rot -168:sc= 1.41 USER MOD Single : A 32 HIS :FLIP no HE2:sc= -0.183 F(o=-1.6,f=-0.18) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.0858 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 23:sc= -6.53! USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0489 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.125 USER MOD Single : A 65 THR OG1 : rot 57:sc= -4.75! USER MOD Single : A 67 THR OG1 : rot -170:sc= -0.911 USER MOD Single : A 69 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.3) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 THR OG1 : rot 61:sc= 0.0523! USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00715) USER MOD Single : A 89 TYR OH : rot -122:sc= -2.82 USER MOD Single : A 92 GLN : amide:sc= -0.168 X(o=-0.17,f=-0.39) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.0123 X(o=-0.012,f=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 49 N ASN A 4 -8.683 7.825 7.830 1.00 0.00 N ATOM 50 CA ASN A 4 -8.192 7.322 6.558 1.00 0.00 C ATOM 51 C ASN A 4 -8.552 5.841 6.427 1.00 0.00 C ATOM 52 O ASN A 4 -8.790 5.165 7.426 1.00 0.00 O ATOM 53 CB ASN A 4 -6.669 7.448 6.467 1.00 0.00 C ATOM 54 CG ASN A 4 -6.094 6.437 5.474 1.00 0.00 C ATOM 55 OD1 ASN A 4 -5.598 5.342 6.042 1.00 0.00 O flip ATOM 56 ND2 ASN A 4 -6.100 6.638 4.270 1.00 0.00 N flip ATOM 0 HA ASN A 4 -8.651 7.910 5.763 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -6.402 8.459 6.158 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -6.228 7.288 7.451 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -6.497 7.501 3.899 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -5.708 5.943 3.635 1.00 0.00 H new ATOM 63 N ASP A 5 -8.582 5.380 5.185 1.00 0.00 N ATOM 64 CA ASP A 5 -8.910 3.992 4.909 1.00 0.00 C ATOM 65 C ASP A 5 -7.618 3.180 4.795 1.00 0.00 C ATOM 66 O ASP A 5 -7.464 2.155 5.457 1.00 0.00 O ATOM 67 CB ASP A 5 -9.671 3.857 3.589 1.00 0.00 C ATOM 68 CG ASP A 5 -10.978 4.648 3.513 1.00 0.00 C ATOM 69 OD1 ASP A 5 -11.213 5.572 4.306 1.00 0.00 O ATOM 70 OD2 ASP A 5 -11.786 4.278 2.578 1.00 0.00 O ATOM 0 H ASP A 5 -8.384 5.944 4.358 1.00 0.00 H new ATOM 0 HA ASP A 5 -9.534 3.625 5.724 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -9.020 4.181 2.777 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -9.891 2.803 3.420 1.00 0.00 H new ATOM 76 N ILE A 6 -6.722 3.670 3.951 1.00 0.00 N ATOM 77 CA ILE A 6 -5.448 3.003 3.741 1.00 0.00 C ATOM 78 C ILE A 6 -4.392 4.040 3.355 1.00 0.00 C ATOM 79 O ILE A 6 -4.681 4.982 2.620 1.00 0.00 O ATOM 80 CB ILE A 6 -5.597 1.870 2.724 1.00 0.00 C ATOM 81 CG1 ILE A 6 -4.258 1.171 2.481 1.00 0.00 C ATOM 82 CG2 ILE A 6 -6.223 2.379 1.423 1.00 0.00 C ATOM 83 CD1 ILE A 6 -4.460 -0.172 1.777 1.00 0.00 C ATOM 0 H ILE A 6 -6.853 4.521 3.404 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.110 2.530 4.663 1.00 0.00 H new ATOM 0 HB ILE A 6 -6.277 1.126 3.139 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -3.615 1.810 1.876 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.748 1.014 3.431 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.318 1.554 0.717 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -7.210 2.793 1.632 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -5.588 3.153 0.992 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -3.493 -0.648 1.616 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -5.083 -0.817 2.396 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -4.948 -0.009 0.816 1.00 0.00 H new ATOM 95 N THR A 7 -3.188 3.832 3.870 1.00 0.00 N ATOM 96 CA THR A 7 -2.087 4.737 3.588 1.00 0.00 C ATOM 97 C THR A 7 -1.165 4.141 2.523 1.00 0.00 C ATOM 98 O THR A 7 -1.316 2.980 2.146 1.00 0.00 O ATOM 99 CB THR A 7 -1.375 5.039 4.908 1.00 0.00 C ATOM 100 OG1 THR A 7 -1.408 3.801 5.612 1.00 0.00 O ATOM 101 CG2 THR A 7 -2.172 5.995 5.798 1.00 0.00 C ATOM 0 H THR A 7 -2.952 3.050 4.481 1.00 0.00 H new ATOM 0 HA THR A 7 -2.445 5.678 3.172 1.00 0.00 H new ATOM 0 HB THR A 7 -0.395 5.468 4.701 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.965 3.906 6.480 1.00 0.00 H new ATOM 0 HG21 THR A 7 -1.622 6.176 6.722 1.00 0.00 H new ATOM 0 HG22 THR A 7 -2.323 6.939 5.275 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.140 5.552 6.033 1.00 0.00 H new ATOM 109 N PHE A 8 -0.231 4.962 2.068 1.00 0.00 N ATOM 110 CA PHE A 8 0.716 4.530 1.054 1.00 0.00 C ATOM 111 C PHE A 8 1.932 5.457 1.009 1.00 0.00 C ATOM 112 O PHE A 8 1.791 6.664 0.816 1.00 0.00 O ATOM 113 CB PHE A 8 -0.010 4.595 -0.292 1.00 0.00 C ATOM 114 CG PHE A 8 -1.342 3.843 -0.317 1.00 0.00 C ATOM 115 CD1 PHE A 8 -1.355 2.484 -0.362 1.00 0.00 C ATOM 116 CD2 PHE A 8 -2.514 4.534 -0.295 1.00 0.00 C ATOM 117 CE1 PHE A 8 -2.592 1.786 -0.385 1.00 0.00 C ATOM 118 CE2 PHE A 8 -3.750 3.836 -0.318 1.00 0.00 C ATOM 119 CZ PHE A 8 -3.763 2.477 -0.363 1.00 0.00 C ATOM 0 H PHE A 8 -0.109 5.925 2.383 1.00 0.00 H new ATOM 0 HA PHE A 8 1.068 3.523 1.279 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -0.189 5.640 -0.546 1.00 0.00 H new ATOM 0 HB3 PHE A 8 0.641 4.186 -1.065 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -0.425 1.935 -0.380 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -2.504 5.613 -0.260 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -2.602 0.707 -0.420 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -4.680 4.384 -0.300 1.00 0.00 H new ATOM 0 HZ PHE A 8 -4.703 1.946 -0.381 1.00 0.00 H new ATOM 129 N PHE A 9 3.100 4.858 1.190 1.00 0.00 N ATOM 130 CA PHE A 9 4.340 5.614 1.172 1.00 0.00 C ATOM 131 C PHE A 9 4.446 6.464 -0.095 1.00 0.00 C ATOM 132 O PHE A 9 3.746 6.214 -1.075 1.00 0.00 O ATOM 133 CB PHE A 9 5.484 4.598 1.188 1.00 0.00 C ATOM 134 CG PHE A 9 6.867 5.221 1.391 1.00 0.00 C ATOM 135 CD1 PHE A 9 7.016 6.291 2.217 1.00 0.00 C ATOM 136 CD2 PHE A 9 7.947 4.704 0.745 1.00 0.00 C ATOM 137 CE1 PHE A 9 8.299 6.869 2.405 1.00 0.00 C ATOM 138 CE2 PHE A 9 9.230 5.282 0.934 1.00 0.00 C ATOM 139 CZ PHE A 9 9.379 6.352 1.759 1.00 0.00 C ATOM 0 H PHE A 9 3.213 3.857 1.350 1.00 0.00 H new ATOM 0 HA PHE A 9 4.379 6.284 2.031 1.00 0.00 H new ATOM 0 HB2 PHE A 9 5.303 3.874 1.983 1.00 0.00 H new ATOM 0 HB3 PHE A 9 5.480 4.047 0.248 1.00 0.00 H new ATOM 0 HD1 PHE A 9 6.158 6.701 2.730 1.00 0.00 H new ATOM 0 HD2 PHE A 9 7.828 3.854 0.089 1.00 0.00 H new ATOM 0 HE1 PHE A 9 8.418 7.719 3.061 1.00 0.00 H new ATOM 0 HE2 PHE A 9 10.088 4.871 0.422 1.00 0.00 H new ATOM 0 HZ PHE A 9 10.355 6.792 1.902 1.00 0.00 H new ATOM 149 N GLN A 10 5.328 7.451 -0.036 1.00 0.00 N ATOM 150 CA GLN A 10 5.535 8.340 -1.167 1.00 0.00 C ATOM 151 C GLN A 10 5.760 7.529 -2.444 1.00 0.00 C ATOM 152 O GLN A 10 5.143 7.801 -3.473 1.00 0.00 O ATOM 153 CB GLN A 10 6.704 9.292 -0.909 1.00 0.00 C ATOM 154 CG GLN A 10 7.138 9.989 -2.200 1.00 0.00 C ATOM 155 CD GLN A 10 7.245 11.502 -1.998 1.00 0.00 C ATOM 156 OE1 GLN A 10 7.588 11.989 -0.934 1.00 0.00 O ATOM 157 NE2 GLN A 10 6.932 12.215 -3.076 1.00 0.00 N ATOM 0 H GLN A 10 5.908 7.655 0.778 1.00 0.00 H new ATOM 0 HA GLN A 10 4.638 8.946 -1.297 1.00 0.00 H new ATOM 0 HB2 GLN A 10 6.414 10.038 -0.169 1.00 0.00 H new ATOM 0 HB3 GLN A 10 7.544 8.737 -0.491 1.00 0.00 H new ATOM 0 HG2 GLN A 10 8.100 9.593 -2.525 1.00 0.00 H new ATOM 0 HG3 GLN A 10 6.421 9.774 -2.992 1.00 0.00 H new ATOM 0 HE21 GLN A 10 6.653 11.743 -3.936 1.00 0.00 H new ATOM 0 HE22 GLN A 10 6.971 13.234 -3.043 1.00 0.00 H new ATOM 166 N ARG A 11 6.644 6.548 -2.337 1.00 0.00 N ATOM 167 CA ARG A 11 6.958 5.696 -3.471 1.00 0.00 C ATOM 168 C ARG A 11 5.679 5.081 -4.043 1.00 0.00 C ATOM 169 O ARG A 11 5.452 5.126 -5.251 1.00 0.00 O ATOM 170 CB ARG A 11 7.919 4.575 -3.068 1.00 0.00 C ATOM 171 CG ARG A 11 9.186 5.143 -2.426 1.00 0.00 C ATOM 172 CD ARG A 11 10.440 4.605 -3.119 1.00 0.00 C ATOM 173 NE ARG A 11 10.635 5.291 -4.416 1.00 0.00 N ATOM 174 CZ ARG A 11 11.576 4.946 -5.320 1.00 0.00 C ATOM 175 NH1 ARG A 11 12.417 3.918 -5.076 1.00 0.00 N ATOM 176 NH2 ARG A 11 11.661 5.628 -6.447 1.00 0.00 N ATOM 0 H ARG A 11 7.153 6.324 -1.482 1.00 0.00 H new ATOM 0 HA ARG A 11 7.438 6.316 -4.229 1.00 0.00 H new ATOM 0 HB2 ARG A 11 7.424 3.901 -2.369 1.00 0.00 H new ATOM 0 HB3 ARG A 11 8.185 3.986 -3.946 1.00 0.00 H new ATOM 0 HG2 ARG A 11 9.172 6.231 -2.486 1.00 0.00 H new ATOM 0 HG3 ARG A 11 9.210 4.882 -1.368 1.00 0.00 H new ATOM 0 HD2 ARG A 11 11.311 4.758 -2.482 1.00 0.00 H new ATOM 0 HD3 ARG A 11 10.346 3.531 -3.277 1.00 0.00 H new ATOM 0 HE ARG A 11 10.020 6.073 -4.641 1.00 0.00 H new ATOM 0 HH11 ARG A 11 12.344 3.396 -4.203 1.00 0.00 H new ATOM 0 HH12 ARG A 11 13.125 3.664 -5.765 1.00 0.00 H new ATOM 0 HH21 ARG A 11 11.021 6.403 -6.624 1.00 0.00 H new ATOM 0 HH22 ARG A 11 12.366 5.380 -7.141 1.00 0.00 H new ATOM 189 N PHE A 12 4.878 4.522 -3.149 1.00 0.00 N ATOM 190 CA PHE A 12 3.628 3.899 -3.550 1.00 0.00 C ATOM 191 C PHE A 12 2.676 4.927 -4.164 1.00 0.00 C ATOM 192 O PHE A 12 1.981 4.633 -5.135 1.00 0.00 O ATOM 193 CB PHE A 12 2.990 3.322 -2.285 1.00 0.00 C ATOM 194 CG PHE A 12 3.356 1.861 -2.014 1.00 0.00 C ATOM 195 CD1 PHE A 12 2.794 0.871 -2.757 1.00 0.00 C ATOM 196 CD2 PHE A 12 4.242 1.554 -1.029 1.00 0.00 C ATOM 197 CE1 PHE A 12 3.134 -0.485 -2.506 1.00 0.00 C ATOM 198 CE2 PHE A 12 4.582 0.198 -0.778 1.00 0.00 C ATOM 199 CZ PHE A 12 4.020 -0.793 -1.521 1.00 0.00 C ATOM 0 H PHE A 12 5.070 4.487 -2.148 1.00 0.00 H new ATOM 0 HA PHE A 12 3.819 3.128 -4.297 1.00 0.00 H new ATOM 0 HB2 PHE A 12 3.293 3.926 -1.430 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.906 3.405 -2.367 1.00 0.00 H new ATOM 0 HD1 PHE A 12 2.089 1.115 -3.538 1.00 0.00 H new ATOM 0 HD2 PHE A 12 4.687 2.341 -0.438 1.00 0.00 H new ATOM 0 HE1 PHE A 12 2.689 -1.272 -3.097 1.00 0.00 H new ATOM 0 HE2 PHE A 12 5.287 -0.046 0.003 1.00 0.00 H new ATOM 0 HZ PHE A 12 4.277 -1.824 -1.329 1.00 0.00 H new ATOM 209 N GLN A 13 2.673 6.112 -3.571 1.00 0.00 N ATOM 210 CA GLN A 13 1.818 7.185 -4.048 1.00 0.00 C ATOM 211 C GLN A 13 2.159 7.532 -5.498 1.00 0.00 C ATOM 212 O GLN A 13 1.270 7.625 -6.344 1.00 0.00 O ATOM 213 CB GLN A 13 1.932 8.418 -3.149 1.00 0.00 C ATOM 214 CG GLN A 13 0.606 8.705 -2.441 1.00 0.00 C ATOM 215 CD GLN A 13 -0.047 9.974 -2.994 1.00 0.00 C ATOM 216 OE1 GLN A 13 0.147 10.355 -4.137 1.00 0.00 O ATOM 217 NE2 GLN A 13 -0.829 10.604 -2.123 1.00 0.00 N ATOM 0 H GLN A 13 3.249 6.352 -2.764 1.00 0.00 H new ATOM 0 HA GLN A 13 0.784 6.842 -4.010 1.00 0.00 H new ATOM 0 HB2 GLN A 13 2.717 8.262 -2.409 1.00 0.00 H new ATOM 0 HB3 GLN A 13 2.224 9.282 -3.746 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -0.069 7.859 -2.569 1.00 0.00 H new ATOM 0 HG3 GLN A 13 0.778 8.817 -1.370 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -0.948 10.231 -1.181 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -1.310 11.461 -2.396 1.00 0.00 H new ATOM 226 N ASP A 14 3.448 7.714 -5.743 1.00 0.00 N ATOM 227 CA ASP A 14 3.918 8.048 -7.076 1.00 0.00 C ATOM 228 C ASP A 14 3.487 6.952 -8.053 1.00 0.00 C ATOM 229 O ASP A 14 2.990 7.244 -9.140 1.00 0.00 O ATOM 230 CB ASP A 14 5.444 8.142 -7.116 1.00 0.00 C ATOM 231 CG ASP A 14 6.048 8.283 -8.514 1.00 0.00 C ATOM 232 OD1 ASP A 14 5.488 8.966 -9.386 1.00 0.00 O ATOM 233 OD2 ASP A 14 7.155 7.647 -8.697 1.00 0.00 O ATOM 0 H ASP A 14 4.182 7.636 -5.039 1.00 0.00 H new ATOM 0 HA ASP A 14 3.490 9.012 -7.352 1.00 0.00 H new ATOM 0 HB2 ASP A 14 5.756 8.996 -6.514 1.00 0.00 H new ATOM 0 HB3 ASP A 14 5.860 7.251 -6.645 1.00 0.00 H new ATOM 239 N ASP A 15 3.692 5.713 -7.631 1.00 0.00 N ATOM 240 CA ASP A 15 3.331 4.572 -8.455 1.00 0.00 C ATOM 241 C ASP A 15 1.816 4.564 -8.672 1.00 0.00 C ATOM 242 O ASP A 15 1.334 4.073 -9.692 1.00 0.00 O ATOM 243 CB ASP A 15 3.718 3.257 -7.776 1.00 0.00 C ATOM 244 CG ASP A 15 4.496 2.278 -8.658 1.00 0.00 C ATOM 245 OD1 ASP A 15 4.109 1.110 -8.811 1.00 0.00 O ATOM 246 OD2 ASP A 15 5.556 2.765 -9.208 1.00 0.00 O ATOM 0 H ASP A 15 4.104 5.474 -6.729 1.00 0.00 H new ATOM 0 HA ASP A 15 3.863 4.659 -9.402 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.318 3.484 -6.894 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.810 2.765 -7.426 1.00 0.00 H new ATOM 252 N ILE A 16 1.108 5.113 -7.696 1.00 0.00 N ATOM 253 CA ILE A 16 -0.342 5.175 -7.767 1.00 0.00 C ATOM 254 C ILE A 16 -0.753 6.203 -8.823 1.00 0.00 C ATOM 255 O ILE A 16 -1.622 5.934 -9.651 1.00 0.00 O ATOM 256 CB ILE A 16 -0.935 5.444 -6.382 1.00 0.00 C ATOM 257 CG1 ILE A 16 -0.887 4.188 -5.511 1.00 0.00 C ATOM 258 CG2 ILE A 16 -2.352 6.011 -6.494 1.00 0.00 C ATOM 259 CD1 ILE A 16 -0.838 4.552 -4.026 1.00 0.00 C ATOM 0 H ILE A 16 1.511 5.519 -6.852 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.750 4.214 -8.082 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.323 6.200 -5.889 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.763 3.570 -5.709 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.012 3.593 -5.772 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.751 6.193 -5.496 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.326 6.947 -7.051 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.990 5.297 -7.015 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.804 3.641 -3.429 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.052 5.149 -3.827 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -1.726 5.126 -3.763 1.00 0.00 H new ATOM 271 N LEU A 17 -0.109 7.359 -8.759 1.00 0.00 N ATOM 272 CA LEU A 17 -0.397 8.429 -9.700 1.00 0.00 C ATOM 273 C LEU A 17 -0.152 7.929 -11.125 1.00 0.00 C ATOM 274 O LEU A 17 -0.728 8.451 -12.077 1.00 0.00 O ATOM 275 CB LEU A 17 0.401 9.685 -9.343 1.00 0.00 C ATOM 276 CG LEU A 17 1.408 10.160 -10.392 1.00 0.00 C ATOM 277 CD1 LEU A 17 0.704 10.901 -11.531 1.00 0.00 C ATOM 278 CD2 LEU A 17 2.509 11.007 -9.751 1.00 0.00 C ATOM 0 H LEU A 17 0.611 7.578 -8.071 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.446 8.718 -9.639 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.302 10.495 -9.150 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.937 9.499 -8.412 1.00 0.00 H new ATOM 0 HG LEU A 17 1.888 9.283 -10.826 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.442 11.228 -12.263 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.012 10.234 -12.011 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.180 11.769 -11.131 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.212 11.332 -10.518 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.065 11.880 -9.273 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.036 10.413 -9.004 1.00 0.00 H new ATOM 290 N ALA A 18 0.703 6.922 -11.225 1.00 0.00 N ATOM 291 CA ALA A 18 1.031 6.345 -12.518 1.00 0.00 C ATOM 292 C ALA A 18 -0.132 5.473 -12.993 1.00 0.00 C ATOM 293 O ALA A 18 -0.118 4.970 -14.115 1.00 0.00 O ATOM 294 CB ALA A 18 2.341 5.562 -12.410 1.00 0.00 C ATOM 0 H ALA A 18 1.179 6.491 -10.432 1.00 0.00 H new ATOM 0 HA ALA A 18 1.180 7.129 -13.261 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.587 5.129 -13.380 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.141 6.233 -12.098 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.229 4.765 -11.675 1.00 0.00 H new ATOM 300 N GLY A 19 -1.112 5.319 -12.114 1.00 0.00 N ATOM 301 CA GLY A 19 -2.281 4.515 -12.429 1.00 0.00 C ATOM 302 C GLY A 19 -1.884 3.075 -12.756 1.00 0.00 C ATOM 303 O GLY A 19 -2.360 2.503 -13.736 1.00 0.00 O ATOM 0 H GLY A 19 -1.120 5.737 -11.184 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -2.971 4.523 -11.585 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -2.809 4.952 -13.276 1.00 0.00 H new ATOM 307 N ARG A 20 -1.016 2.529 -11.917 1.00 0.00 N ATOM 308 CA ARG A 20 -0.549 1.165 -12.105 1.00 0.00 C ATOM 309 C ARG A 20 -1.173 0.242 -11.057 1.00 0.00 C ATOM 310 O ARG A 20 -0.724 0.204 -9.912 1.00 0.00 O ATOM 311 CB ARG A 20 0.975 1.086 -12.002 1.00 0.00 C ATOM 312 CG ARG A 20 1.596 0.697 -13.346 1.00 0.00 C ATOM 313 CD ARG A 20 1.272 1.736 -14.421 1.00 0.00 C ATOM 314 NE ARG A 20 1.540 1.175 -15.764 1.00 0.00 N ATOM 315 CZ ARG A 20 1.188 1.778 -16.920 1.00 0.00 C ATOM 316 NH1 ARG A 20 0.548 2.966 -16.906 1.00 0.00 N ATOM 317 NH2 ARG A 20 1.478 1.186 -18.064 1.00 0.00 N ATOM 0 H ARG A 20 -0.624 3.006 -11.105 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.851 0.845 -13.102 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.372 2.049 -11.679 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.254 0.355 -11.243 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.677 0.605 -13.238 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.222 -0.279 -13.654 1.00 0.00 H new ATOM 0 HD2 ARG A 20 0.227 2.036 -14.345 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.873 2.632 -14.265 1.00 0.00 H new ATOM 0 HE ARG A 20 2.020 0.277 -15.820 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.326 3.416 -16.018 1.00 0.00 H new ATOM 0 HH12 ARG A 20 0.286 3.414 -17.784 1.00 0.00 H new ATOM 0 HH21 ARG A 20 1.961 0.287 -18.065 1.00 0.00 H new ATOM 0 HH22 ARG A 20 1.219 1.627 -18.947 1.00 0.00 H new ATOM 330 N LYS A 21 -2.198 -0.480 -11.485 1.00 0.00 N ATOM 331 CA LYS A 21 -2.888 -1.401 -10.598 1.00 0.00 C ATOM 332 C LYS A 21 -1.866 -2.096 -9.696 1.00 0.00 C ATOM 333 O LYS A 21 -1.170 -3.013 -10.132 1.00 0.00 O ATOM 334 CB LYS A 21 -3.758 -2.369 -11.402 1.00 0.00 C ATOM 335 CG LYS A 21 -2.895 -3.319 -12.236 1.00 0.00 C ATOM 336 CD LYS A 21 -3.450 -3.459 -13.655 1.00 0.00 C ATOM 337 CE LYS A 21 -2.329 -3.752 -14.654 1.00 0.00 C ATOM 338 NZ LYS A 21 -2.648 -4.957 -15.453 1.00 0.00 N ATOM 0 H LYS A 21 -2.568 -0.446 -12.435 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.573 -0.860 -9.946 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.389 -2.945 -10.725 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.424 -1.807 -12.057 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.872 -2.946 -12.277 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.858 -4.298 -11.758 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.187 -4.262 -13.684 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.966 -2.542 -13.940 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.190 -2.896 -15.315 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.389 -3.900 -14.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.877 -5.142 -16.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.758 -5.774 -14.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -3.534 -4.803 -15.976 1.00 0.00 H new ATOM 351 N THR A 22 -1.806 -1.634 -8.456 1.00 0.00 N ATOM 352 CA THR A 22 -0.881 -2.200 -7.490 1.00 0.00 C ATOM 353 C THR A 22 -1.642 -2.754 -6.284 1.00 0.00 C ATOM 354 O THR A 22 -2.711 -2.255 -5.937 1.00 0.00 O ATOM 355 CB THR A 22 0.138 -1.119 -7.122 1.00 0.00 C ATOM 356 OG1 THR A 22 1.081 -1.153 -8.190 1.00 0.00 O ATOM 357 CG2 THR A 22 0.962 -1.487 -5.886 1.00 0.00 C ATOM 0 H THR A 22 -2.384 -0.873 -8.098 1.00 0.00 H new ATOM 0 HA THR A 22 -0.340 -3.048 -7.910 1.00 0.00 H new ATOM 0 HB THR A 22 -0.381 -0.177 -6.945 1.00 0.00 H new ATOM 0 HG1 THR A 22 0.690 -0.735 -8.985 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.669 -0.687 -5.669 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.297 -1.625 -5.033 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.507 -2.412 -6.074 1.00 0.00 H new ATOM 365 N ILE A 23 -1.060 -3.778 -5.677 1.00 0.00 N ATOM 366 CA ILE A 23 -1.670 -4.405 -4.517 1.00 0.00 C ATOM 367 C ILE A 23 -1.067 -3.808 -3.244 1.00 0.00 C ATOM 368 O ILE A 23 0.014 -3.223 -3.280 1.00 0.00 O ATOM 369 CB ILE A 23 -1.543 -5.928 -4.602 1.00 0.00 C ATOM 370 CG1 ILE A 23 -1.201 -6.371 -6.026 1.00 0.00 C ATOM 371 CG2 ILE A 23 -2.806 -6.614 -4.076 1.00 0.00 C ATOM 372 CD1 ILE A 23 0.313 -6.430 -6.234 1.00 0.00 C ATOM 0 H ILE A 23 -0.173 -4.189 -5.967 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.740 -4.198 -4.491 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.718 -6.238 -3.961 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -1.637 -7.351 -6.220 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.643 -5.678 -6.742 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.689 -7.695 -4.148 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -2.965 -6.334 -3.035 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.664 -6.301 -4.671 1.00 0.00 H new ATOM 0 HD11 ILE A 23 0.528 -6.748 -7.254 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.742 -5.443 -6.063 1.00 0.00 H new ATOM 0 HD13 ILE A 23 0.749 -7.142 -5.533 1.00 0.00 H new ATOM 384 N THR A 24 -1.792 -3.977 -2.148 1.00 0.00 N ATOM 385 CA THR A 24 -1.342 -3.462 -0.866 1.00 0.00 C ATOM 386 C THR A 24 -1.447 -4.545 0.210 1.00 0.00 C ATOM 387 O THR A 24 -1.972 -5.628 -0.043 1.00 0.00 O ATOM 388 CB THR A 24 -2.159 -2.208 -0.548 1.00 0.00 C ATOM 389 OG1 THR A 24 -3.492 -2.689 -0.401 1.00 0.00 O ATOM 390 CG2 THR A 24 -2.239 -1.245 -1.733 1.00 0.00 C ATOM 0 H THR A 24 -2.688 -4.463 -2.121 1.00 0.00 H new ATOM 0 HA THR A 24 -0.289 -3.182 -0.899 1.00 0.00 H new ATOM 0 HB THR A 24 -1.718 -1.695 0.307 1.00 0.00 H new ATOM 0 HG1 THR A 24 -3.859 -2.910 -1.282 1.00 0.00 H new ATOM 0 HG21 THR A 24 -2.830 -0.373 -1.454 1.00 0.00 H new ATOM 0 HG22 THR A 24 -1.234 -0.928 -2.013 1.00 0.00 H new ATOM 0 HG23 THR A 24 -2.710 -1.747 -2.578 1.00 0.00 H new ATOM 398 N ILE A 25 -0.939 -4.215 1.388 1.00 0.00 N ATOM 399 CA ILE A 25 -0.969 -5.145 2.503 1.00 0.00 C ATOM 400 C ILE A 25 -1.539 -4.440 3.736 1.00 0.00 C ATOM 401 O ILE A 25 -1.199 -3.290 4.010 1.00 0.00 O ATOM 402 CB ILE A 25 0.416 -5.755 2.730 1.00 0.00 C ATOM 403 CG1 ILE A 25 0.954 -6.386 1.444 1.00 0.00 C ATOM 404 CG2 ILE A 25 0.394 -6.751 3.891 1.00 0.00 C ATOM 405 CD1 ILE A 25 1.824 -5.395 0.669 1.00 0.00 C ATOM 0 H ILE A 25 -0.504 -3.316 1.594 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.629 -5.983 2.281 1.00 0.00 H new ATOM 0 HB ILE A 25 1.101 -4.953 3.007 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.537 -7.274 1.687 1.00 0.00 H new ATOM 0 HG13 ILE A 25 0.122 -6.711 0.819 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.391 -7.169 4.030 1.00 0.00 H new ATOM 0 HG22 ILE A 25 0.084 -6.240 4.803 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -0.309 -7.554 3.668 1.00 0.00 H new ATOM 0 HD11 ILE A 25 2.193 -5.869 -0.240 1.00 0.00 H new ATOM 0 HD12 ILE A 25 1.232 -4.519 0.406 1.00 0.00 H new ATOM 0 HD13 ILE A 25 2.668 -5.090 1.288 1.00 0.00 H new ATOM 417 N ARG A 26 -2.396 -5.158 4.445 1.00 0.00 N ATOM 418 CA ARG A 26 -3.017 -4.615 5.642 1.00 0.00 C ATOM 419 C ARG A 26 -3.000 -5.653 6.766 1.00 0.00 C ATOM 420 O ARG A 26 -2.658 -6.812 6.540 1.00 0.00 O ATOM 421 CB ARG A 26 -4.462 -4.192 5.369 1.00 0.00 C ATOM 422 CG ARG A 26 -4.790 -4.290 3.878 1.00 0.00 C ATOM 423 CD ARG A 26 -4.104 -3.172 3.091 1.00 0.00 C ATOM 424 NE ARG A 26 -3.456 -2.221 4.022 1.00 0.00 N ATOM 425 CZ ARG A 26 -4.077 -1.155 4.568 1.00 0.00 C ATOM 426 NH1 ARG A 26 -5.370 -0.893 4.280 1.00 0.00 N ATOM 427 NH2 ARG A 26 -3.401 -0.371 5.388 1.00 0.00 N ATOM 0 H ARG A 26 -2.676 -6.111 4.214 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.445 -3.738 5.944 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -5.143 -4.825 5.937 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -4.616 -3.169 5.712 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -4.470 -5.259 3.495 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -5.869 -4.231 3.735 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -3.361 -3.595 2.415 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -4.835 -2.649 2.474 1.00 0.00 H new ATOM 0 HE ARG A 26 -2.479 -2.382 4.266 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -5.885 -1.503 3.645 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -5.832 -0.085 4.697 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -2.424 -0.576 5.600 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -3.855 0.439 5.809 1.00 0.00 H new ATOM 440 N ASP A 27 -3.375 -5.199 7.953 1.00 0.00 N ATOM 441 CA ASP A 27 -3.407 -6.073 9.113 1.00 0.00 C ATOM 442 C ASP A 27 -4.834 -6.581 9.324 1.00 0.00 C ATOM 443 O ASP A 27 -5.780 -5.794 9.348 1.00 0.00 O ATOM 444 CB ASP A 27 -2.979 -5.326 10.378 1.00 0.00 C ATOM 445 CG ASP A 27 -3.250 -6.067 11.689 1.00 0.00 C ATOM 446 OD1 ASP A 27 -3.763 -7.196 11.690 1.00 0.00 O ATOM 447 OD2 ASP A 27 -2.908 -5.429 12.756 1.00 0.00 O ATOM 0 H ASP A 27 -3.659 -4.237 8.136 1.00 0.00 H new ATOM 0 HA ASP A 27 -2.719 -6.899 8.932 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.912 -5.113 10.312 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -3.495 -4.366 10.407 1.00 0.00 H new ATOM 453 N GLU A 28 -4.946 -7.893 9.471 1.00 0.00 N ATOM 454 CA GLU A 28 -6.243 -8.515 9.679 1.00 0.00 C ATOM 455 C GLU A 28 -6.998 -7.805 10.805 1.00 0.00 C ATOM 456 O GLU A 28 -8.186 -7.515 10.674 1.00 0.00 O ATOM 457 CB GLU A 28 -6.093 -10.008 9.977 1.00 0.00 C ATOM 458 CG GLU A 28 -7.351 -10.562 10.648 1.00 0.00 C ATOM 459 CD GLU A 28 -8.569 -10.421 9.732 1.00 0.00 C ATOM 460 OE1 GLU A 28 -8.655 -11.110 8.705 1.00 0.00 O ATOM 461 OE2 GLU A 28 -9.446 -9.559 10.121 1.00 0.00 O ATOM 0 H GLU A 28 -4.160 -8.543 9.450 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.822 -8.417 8.761 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.902 -10.550 9.051 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.231 -10.169 10.624 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.201 -11.612 10.900 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.532 -10.032 11.583 1.00 0.00 H new ATOM 469 N SER A 29 -6.276 -7.545 11.886 1.00 0.00 N ATOM 470 CA SER A 29 -6.863 -6.874 13.033 1.00 0.00 C ATOM 471 C SER A 29 -7.445 -5.524 12.609 1.00 0.00 C ATOM 472 O SER A 29 -8.257 -4.941 13.326 1.00 0.00 O ATOM 473 CB SER A 29 -5.831 -6.681 14.146 1.00 0.00 C ATOM 474 OG SER A 29 -5.025 -5.526 13.932 1.00 0.00 O ATOM 0 H SER A 29 -5.291 -7.787 11.991 1.00 0.00 H new ATOM 0 HA SER A 29 -7.665 -7.502 13.422 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.343 -6.593 15.104 1.00 0.00 H new ATOM 0 HB3 SER A 29 -5.193 -7.563 14.205 1.00 0.00 H new ATOM 0 HG SER A 29 -4.078 -5.774 13.980 1.00 0.00 H new ATOM 480 N GLU A 30 -7.007 -5.066 11.446 1.00 0.00 N ATOM 481 CA GLU A 30 -7.474 -3.795 10.918 1.00 0.00 C ATOM 482 C GLU A 30 -7.953 -3.964 9.475 1.00 0.00 C ATOM 483 O GLU A 30 -8.095 -2.984 8.745 1.00 0.00 O ATOM 484 CB GLU A 30 -6.381 -2.728 11.011 1.00 0.00 C ATOM 485 CG GLU A 30 -6.327 -2.121 12.415 1.00 0.00 C ATOM 486 CD GLU A 30 -5.736 -0.710 12.379 1.00 0.00 C ATOM 487 OE1 GLU A 30 -6.239 0.154 11.645 1.00 0.00 O ATOM 488 OE2 GLU A 30 -4.719 -0.525 13.151 1.00 0.00 O ATOM 0 H GLU A 30 -6.334 -5.552 10.854 1.00 0.00 H new ATOM 0 HA GLU A 30 -8.316 -3.460 11.523 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.415 -3.169 10.764 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.570 -1.943 10.278 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.330 -2.088 12.840 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.725 -2.755 13.066 1.00 0.00 H new ATOM 496 N SER A 31 -8.190 -5.214 9.106 1.00 0.00 N ATOM 497 CA SER A 31 -8.651 -5.524 7.763 1.00 0.00 C ATOM 498 C SER A 31 -10.127 -5.926 7.796 1.00 0.00 C ATOM 499 O SER A 31 -10.452 -7.086 8.043 1.00 0.00 O ATOM 500 CB SER A 31 -7.811 -6.639 7.136 1.00 0.00 C ATOM 501 OG SER A 31 -7.626 -6.445 5.737 1.00 0.00 O ATOM 0 H SER A 31 -8.071 -6.025 9.714 1.00 0.00 H new ATOM 0 HA SER A 31 -8.538 -4.631 7.148 1.00 0.00 H new ATOM 0 HB2 SER A 31 -6.839 -6.681 7.628 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.297 -7.599 7.308 1.00 0.00 H new ATOM 0 HG SER A 31 -7.250 -7.259 5.341 1.00 0.00 H new ATOM 507 N HIS A 32 -10.980 -4.944 7.544 1.00 0.00 N ATOM 508 CA HIS A 32 -12.414 -5.181 7.542 1.00 0.00 C ATOM 509 C HIS A 32 -13.088 -4.241 6.540 1.00 0.00 C ATOM 510 O HIS A 32 -13.087 -3.025 6.728 1.00 0.00 O ATOM 511 CB HIS A 32 -12.988 -5.053 8.954 1.00 0.00 C ATOM 512 CG HIS A 32 -12.510 -3.833 9.703 1.00 0.00 C ATOM 513 ND1 HIS A 32 -11.871 -2.710 9.263 1.00 0.00 N flip ATOM 514 CD2 HIS A 32 -12.673 -3.679 11.069 1.00 0.00 C flip ATOM 515 CE1 HIS A 32 -11.658 -1.914 10.304 1.00 0.00 C flip ATOM 516 NE2 HIS A 32 -12.154 -2.513 11.424 1.00 0.00 N flip ATOM 0 H HIS A 32 -10.706 -3.983 7.340 1.00 0.00 H new ATOM 0 HA HIS A 32 -12.617 -6.203 7.222 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -14.076 -5.025 8.892 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -12.724 -5.943 9.525 1.00 0.00 H new ATOM 0 HD1 HIS A 32 -11.603 -2.515 8.298 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -13.144 -4.389 11.733 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -11.172 -0.950 10.269 1.00 0.00 H new ATOM 524 N PHE A 33 -13.646 -4.839 5.499 1.00 0.00 N ATOM 525 CA PHE A 33 -14.322 -4.071 4.468 1.00 0.00 C ATOM 526 C PHE A 33 -14.899 -4.989 3.388 1.00 0.00 C ATOM 527 O PHE A 33 -15.326 -6.105 3.681 1.00 0.00 O ATOM 528 CB PHE A 33 -13.274 -3.154 3.833 1.00 0.00 C ATOM 529 CG PHE A 33 -13.808 -1.774 3.444 1.00 0.00 C ATOM 530 CD1 PHE A 33 -14.659 -1.115 4.275 1.00 0.00 C ATOM 531 CD2 PHE A 33 -13.432 -1.208 2.266 1.00 0.00 C ATOM 532 CE1 PHE A 33 -15.154 0.166 3.913 1.00 0.00 C ATOM 533 CE2 PHE A 33 -13.928 0.073 1.904 1.00 0.00 C ATOM 534 CZ PHE A 33 -14.778 0.733 2.735 1.00 0.00 C ATOM 0 H PHE A 33 -13.644 -5.848 5.347 1.00 0.00 H new ATOM 0 HA PHE A 33 -15.146 -3.507 4.906 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -12.446 -3.028 4.530 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -12.871 -3.640 2.944 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -14.958 -1.565 5.210 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -12.757 -1.732 1.606 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -15.829 0.690 4.573 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -13.630 0.523 0.968 1.00 0.00 H new ATOM 0 HZ PHE A 33 -15.155 1.707 2.460 1.00 0.00 H new ATOM 544 N LYS A 34 -14.894 -4.486 2.163 1.00 0.00 N ATOM 545 CA LYS A 34 -15.411 -5.247 1.039 1.00 0.00 C ATOM 546 C LYS A 34 -14.804 -4.709 -0.259 1.00 0.00 C ATOM 547 O LYS A 34 -14.459 -3.531 -0.345 1.00 0.00 O ATOM 548 CB LYS A 34 -16.941 -5.244 1.049 1.00 0.00 C ATOM 549 CG LYS A 34 -17.486 -3.822 1.192 1.00 0.00 C ATOM 550 CD LYS A 34 -17.815 -3.504 2.652 1.00 0.00 C ATOM 551 CE LYS A 34 -18.001 -2.000 2.857 1.00 0.00 C ATOM 552 NZ LYS A 34 -18.272 -1.701 4.281 1.00 0.00 N ATOM 0 H LYS A 34 -14.540 -3.560 1.924 1.00 0.00 H new ATOM 0 HA LYS A 34 -15.116 -6.293 1.120 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -17.315 -5.690 0.127 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -17.304 -5.861 1.871 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -16.752 -3.108 0.817 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -18.382 -3.709 0.581 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -18.723 -4.030 2.947 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -17.014 -3.866 3.296 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -17.106 -1.469 2.532 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -18.826 -1.642 2.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -18.396 -0.676 4.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -19.138 -2.192 4.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -17.472 -2.025 4.862 1.00 0.00 H new ATOM 565 N THR A 35 -14.692 -5.597 -1.235 1.00 0.00 N ATOM 566 CA THR A 35 -14.132 -5.227 -2.524 1.00 0.00 C ATOM 567 C THR A 35 -15.132 -4.382 -3.316 1.00 0.00 C ATOM 568 O THR A 35 -16.313 -4.330 -2.976 1.00 0.00 O ATOM 569 CB THR A 35 -13.715 -6.510 -3.244 1.00 0.00 C ATOM 570 OG1 THR A 35 -12.851 -7.163 -2.318 1.00 0.00 O ATOM 571 CG2 THR A 35 -12.823 -6.236 -4.457 1.00 0.00 C ATOM 0 H THR A 35 -14.980 -6.573 -1.159 1.00 0.00 H new ATOM 0 HA THR A 35 -13.247 -4.602 -2.407 1.00 0.00 H new ATOM 0 HB THR A 35 -14.605 -7.053 -3.562 1.00 0.00 H new ATOM 0 HG1 THR A 35 -12.535 -8.006 -2.704 1.00 0.00 H new ATOM 0 HG21 THR A 35 -12.555 -7.180 -4.932 1.00 0.00 H new ATOM 0 HG22 THR A 35 -13.360 -5.610 -5.170 1.00 0.00 H new ATOM 0 HG23 THR A 35 -11.917 -5.723 -4.134 1.00 0.00 H new ATOM 579 N GLY A 36 -14.623 -3.743 -4.359 1.00 0.00 N ATOM 580 CA GLY A 36 -15.456 -2.904 -5.203 1.00 0.00 C ATOM 581 C GLY A 36 -15.871 -1.627 -4.468 1.00 0.00 C ATOM 582 O GLY A 36 -16.779 -0.922 -4.905 1.00 0.00 O ATOM 0 H GLY A 36 -13.643 -3.790 -4.639 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -14.914 -2.645 -6.112 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -16.344 -3.457 -5.508 1.00 0.00 H new ATOM 586 N ASP A 37 -15.185 -1.369 -3.364 1.00 0.00 N ATOM 587 CA ASP A 37 -15.471 -0.190 -2.564 1.00 0.00 C ATOM 588 C ASP A 37 -14.386 0.861 -2.808 1.00 0.00 C ATOM 589 O ASP A 37 -13.565 0.713 -3.712 1.00 0.00 O ATOM 590 CB ASP A 37 -15.478 -0.525 -1.072 1.00 0.00 C ATOM 591 CG ASP A 37 -16.865 -0.597 -0.432 1.00 0.00 C ATOM 592 OD1 ASP A 37 -17.196 0.191 0.467 1.00 0.00 O ATOM 593 OD2 ASP A 37 -17.633 -1.523 -0.898 1.00 0.00 O ATOM 0 H ASP A 37 -14.432 -1.956 -3.005 1.00 0.00 H new ATOM 0 HA ASP A 37 -16.453 0.184 -2.854 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -14.978 -1.483 -0.928 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -14.889 0.225 -0.544 1.00 0.00 H new ATOM 599 N VAL A 38 -14.417 1.899 -1.985 1.00 0.00 N ATOM 600 CA VAL A 38 -13.446 2.974 -2.099 1.00 0.00 C ATOM 601 C VAL A 38 -12.362 2.793 -1.035 1.00 0.00 C ATOM 602 O VAL A 38 -12.627 2.255 0.040 1.00 0.00 O ATOM 603 CB VAL A 38 -14.152 4.328 -2.009 1.00 0.00 C ATOM 604 CG1 VAL A 38 -13.461 5.240 -0.994 1.00 0.00 C ATOM 605 CG2 VAL A 38 -14.232 4.998 -3.382 1.00 0.00 C ATOM 0 H VAL A 38 -15.099 2.018 -1.236 1.00 0.00 H new ATOM 0 HA VAL A 38 -12.954 2.942 -3.071 1.00 0.00 H new ATOM 0 HB VAL A 38 -15.170 4.152 -1.663 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -13.983 6.196 -0.950 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -13.480 4.770 -0.011 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -12.427 5.405 -1.298 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -14.738 5.959 -3.289 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -13.225 5.154 -3.770 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -14.789 4.359 -4.067 1.00 0.00 H new ATOM 615 N LEU A 39 -11.165 3.251 -1.370 1.00 0.00 N ATOM 616 CA LEU A 39 -10.041 3.146 -0.456 1.00 0.00 C ATOM 617 C LEU A 39 -9.277 4.472 -0.440 1.00 0.00 C ATOM 618 O LEU A 39 -8.527 4.772 -1.369 1.00 0.00 O ATOM 619 CB LEU A 39 -9.171 1.939 -0.814 1.00 0.00 C ATOM 620 CG LEU A 39 -9.612 0.597 -0.227 1.00 0.00 C ATOM 621 CD1 LEU A 39 -8.937 -0.568 -0.953 1.00 0.00 C ATOM 622 CD2 LEU A 39 -9.366 0.551 1.283 1.00 0.00 C ATOM 0 H LEU A 39 -10.949 3.696 -2.262 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.391 2.967 0.561 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -9.142 1.846 -1.900 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.152 2.140 -0.484 1.00 0.00 H new ATOM 0 HG LEU A 39 -10.686 0.494 -0.382 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -9.268 -1.510 -0.516 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.206 -0.544 -2.009 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.855 -0.482 -0.852 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.688 -0.414 1.675 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.303 0.687 1.483 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -9.931 1.347 1.768 1.00 0.00 H new ATOM 634 N ARG A 40 -9.493 5.230 0.624 1.00 0.00 N ATOM 635 CA ARG A 40 -8.834 6.516 0.773 1.00 0.00 C ATOM 636 C ARG A 40 -7.319 6.357 0.630 1.00 0.00 C ATOM 637 O ARG A 40 -6.713 5.523 1.301 1.00 0.00 O ATOM 638 CB ARG A 40 -9.147 7.141 2.134 1.00 0.00 C ATOM 639 CG ARG A 40 -9.505 8.621 1.989 1.00 0.00 C ATOM 640 CD ARG A 40 -10.643 9.006 2.937 1.00 0.00 C ATOM 641 NE ARG A 40 -11.914 9.108 2.187 1.00 0.00 N ATOM 642 CZ ARG A 40 -13.088 9.487 2.735 1.00 0.00 C ATOM 643 NH1 ARG A 40 -13.162 9.805 4.045 1.00 0.00 N ATOM 644 NH2 ARG A 40 -14.163 9.542 1.970 1.00 0.00 N ATOM 0 H ARG A 40 -10.115 4.978 1.392 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.210 7.173 -0.012 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.974 6.607 2.601 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -8.286 7.035 2.794 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.628 9.233 2.200 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -9.798 8.829 0.960 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.736 8.261 3.727 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.419 9.957 3.420 1.00 0.00 H new ATOM 0 HE ARG A 40 -11.903 8.877 1.193 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -12.327 9.760 4.629 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -14.053 10.090 4.451 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -14.098 9.300 0.981 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -15.058 9.826 2.368 1.00 0.00 H new ATOM 657 N VAL A 41 -6.751 7.168 -0.250 1.00 0.00 N ATOM 658 CA VAL A 41 -5.319 7.127 -0.491 1.00 0.00 C ATOM 659 C VAL A 41 -4.701 8.468 -0.089 1.00 0.00 C ATOM 660 O VAL A 41 -5.317 9.518 -0.265 1.00 0.00 O ATOM 661 CB VAL A 41 -5.044 6.755 -1.949 1.00 0.00 C ATOM 662 CG1 VAL A 41 -5.704 7.751 -2.904 1.00 0.00 C ATOM 663 CG2 VAL A 41 -3.540 6.655 -2.215 1.00 0.00 C ATOM 0 H VAL A 41 -7.257 7.858 -0.805 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.850 6.356 0.121 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.483 5.774 -2.132 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.492 7.463 -3.934 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -6.782 7.751 -2.741 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -5.309 8.750 -2.718 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.372 6.389 -3.259 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.069 7.615 -2.005 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.107 5.889 -1.571 1.00 0.00 H new ATOM 673 N GLY A 42 -3.489 8.389 0.442 1.00 0.00 N ATOM 674 CA GLY A 42 -2.781 9.583 0.869 1.00 0.00 C ATOM 675 C GLY A 42 -1.347 9.250 1.288 1.00 0.00 C ATOM 676 O GLY A 42 -1.089 8.176 1.831 1.00 0.00 O ATOM 0 H GLY A 42 -2.980 7.517 0.586 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.767 10.311 0.058 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.309 10.045 1.703 1.00 0.00 H new ATOM 680 N ARG A 43 -0.453 10.190 1.022 1.00 0.00 N ATOM 681 CA ARG A 43 0.948 10.009 1.364 1.00 0.00 C ATOM 682 C ARG A 43 1.155 10.200 2.868 1.00 0.00 C ATOM 683 O ARG A 43 0.753 11.218 3.430 1.00 0.00 O ATOM 684 CB ARG A 43 1.833 11.000 0.605 1.00 0.00 C ATOM 685 CG ARG A 43 2.868 10.266 -0.250 1.00 0.00 C ATOM 686 CD ARG A 43 3.158 11.036 -1.540 1.00 0.00 C ATOM 687 NE ARG A 43 3.279 12.482 -1.250 1.00 0.00 N ATOM 688 CZ ARG A 43 3.388 13.437 -2.198 1.00 0.00 C ATOM 689 NH1 ARG A 43 3.393 13.107 -3.507 1.00 0.00 N ATOM 690 NH2 ARG A 43 3.490 14.700 -1.825 1.00 0.00 N ATOM 0 H ARG A 43 -0.671 11.080 0.573 1.00 0.00 H new ATOM 0 HA ARG A 43 1.231 8.995 1.080 1.00 0.00 H new ATOM 0 HB2 ARG A 43 1.214 11.633 -0.031 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.340 11.656 1.312 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.790 10.139 0.317 1.00 0.00 H new ATOM 0 HG3 ARG A 43 2.503 9.268 -0.492 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.079 10.669 -1.993 1.00 0.00 H new ATOM 0 HD3 ARG A 43 2.359 10.867 -2.262 1.00 0.00 H new ATOM 0 HE ARG A 43 3.280 12.775 -0.273 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.314 12.129 -3.787 1.00 0.00 H new ATOM 0 HH12 ARG A 43 3.476 13.835 -4.216 1.00 0.00 H new ATOM 0 HH21 ARG A 43 3.486 14.941 -0.834 1.00 0.00 H new ATOM 0 HH22 ARG A 43 3.573 15.434 -2.528 1.00 0.00 H new ATOM 813 N CYS A 51 -6.385 11.849 -1.907 1.00 0.00 N ATOM 814 CA CYS A 51 -7.398 11.445 -2.867 1.00 0.00 C ATOM 815 C CYS A 51 -7.978 10.102 -2.418 1.00 0.00 C ATOM 816 O CYS A 51 -7.631 9.598 -1.351 1.00 0.00 O ATOM 817 CB CYS A 51 -6.835 11.376 -4.288 1.00 0.00 C ATOM 818 SG CYS A 51 -6.013 12.955 -4.713 1.00 0.00 S ATOM 0 HA CYS A 51 -8.192 12.191 -2.896 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -6.124 10.554 -4.367 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -7.638 11.172 -4.997 1.00 0.00 H new ATOM 0 HG CYS A 51 -5.537 12.885 -5.921 1.00 0.00 H new ATOM 824 N THR A 52 -8.851 9.561 -3.254 1.00 0.00 N ATOM 825 CA THR A 52 -9.482 8.286 -2.956 1.00 0.00 C ATOM 826 C THR A 52 -9.422 7.364 -4.175 1.00 0.00 C ATOM 827 O THR A 52 -9.396 7.832 -5.312 1.00 0.00 O ATOM 828 CB THR A 52 -10.908 8.566 -2.475 1.00 0.00 C ATOM 829 OG1 THR A 52 -10.729 9.317 -1.278 1.00 0.00 O ATOM 830 CG2 THR A 52 -11.629 7.297 -2.015 1.00 0.00 C ATOM 0 H THR A 52 -9.137 9.982 -4.138 1.00 0.00 H new ATOM 0 HA THR A 52 -8.953 7.758 -2.162 1.00 0.00 H new ATOM 0 HB THR A 52 -11.477 9.036 -3.277 1.00 0.00 H new ATOM 0 HG1 THR A 52 -11.604 9.543 -0.900 1.00 0.00 H new ATOM 0 HG21 THR A 52 -12.636 7.550 -1.684 1.00 0.00 H new ATOM 0 HG22 THR A 52 -11.686 6.591 -2.843 1.00 0.00 H new ATOM 0 HG23 THR A 52 -11.079 6.845 -1.190 1.00 0.00 H new ATOM 838 N ILE A 53 -9.402 6.068 -3.896 1.00 0.00 N ATOM 839 CA ILE A 53 -9.345 5.076 -4.955 1.00 0.00 C ATOM 840 C ILE A 53 -10.395 3.994 -4.691 1.00 0.00 C ATOM 841 O ILE A 53 -11.036 3.989 -3.642 1.00 0.00 O ATOM 842 CB ILE A 53 -7.924 4.530 -5.103 1.00 0.00 C ATOM 843 CG1 ILE A 53 -7.662 3.403 -4.102 1.00 0.00 C ATOM 844 CG2 ILE A 53 -6.891 5.653 -4.986 1.00 0.00 C ATOM 845 CD1 ILE A 53 -6.306 2.743 -4.361 1.00 0.00 C ATOM 0 H ILE A 53 -9.424 5.683 -2.952 1.00 0.00 H new ATOM 0 HA ILE A 53 -9.588 5.530 -5.915 1.00 0.00 H new ATOM 0 HB ILE A 53 -7.824 4.103 -6.101 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -7.689 3.800 -3.087 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -8.453 2.657 -4.174 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.889 5.238 -5.095 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -7.065 6.391 -5.769 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -6.982 6.131 -4.011 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -6.145 1.946 -3.636 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -6.291 2.326 -5.368 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -5.515 3.487 -4.264 1.00 0.00 H new ATOM 857 N GLU A 54 -10.537 3.103 -5.662 1.00 0.00 N ATOM 858 CA GLU A 54 -11.497 2.019 -5.547 1.00 0.00 C ATOM 859 C GLU A 54 -10.777 0.669 -5.556 1.00 0.00 C ATOM 860 O GLU A 54 -9.776 0.500 -6.249 1.00 0.00 O ATOM 861 CB GLU A 54 -12.541 2.090 -6.664 1.00 0.00 C ATOM 862 CG GLU A 54 -13.942 2.317 -6.091 1.00 0.00 C ATOM 863 CD GLU A 54 -14.865 2.950 -7.135 1.00 0.00 C ATOM 864 OE1 GLU A 54 -15.342 2.255 -8.044 1.00 0.00 O ATOM 865 OE2 GLU A 54 -15.082 4.212 -6.976 1.00 0.00 O ATOM 0 H GLU A 54 -10.003 3.110 -6.531 1.00 0.00 H new ATOM 0 HA GLU A 54 -12.021 2.124 -4.597 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -12.290 2.898 -7.351 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -12.525 1.165 -7.241 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -14.361 1.367 -5.758 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -13.880 2.963 -5.215 1.00 0.00 H new ATOM 873 N VAL A 55 -11.316 -0.258 -4.777 1.00 0.00 N ATOM 874 CA VAL A 55 -10.738 -1.588 -4.686 1.00 0.00 C ATOM 875 C VAL A 55 -10.995 -2.342 -5.992 1.00 0.00 C ATOM 876 O VAL A 55 -11.937 -2.029 -6.718 1.00 0.00 O ATOM 877 CB VAL A 55 -11.287 -2.315 -3.457 1.00 0.00 C ATOM 878 CG1 VAL A 55 -10.248 -3.276 -2.878 1.00 0.00 C ATOM 879 CG2 VAL A 55 -11.763 -1.318 -2.398 1.00 0.00 C ATOM 0 H VAL A 55 -12.147 -0.114 -4.203 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.658 -1.526 -4.554 1.00 0.00 H new ATOM 0 HB VAL A 55 -12.148 -2.905 -3.773 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -10.664 -3.779 -2.005 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -9.979 -4.017 -3.630 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.359 -2.717 -2.585 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -12.149 -1.860 -1.535 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -10.928 -0.690 -2.088 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -12.552 -0.693 -2.816 1.00 0.00 H new ATOM 889 N THR A 56 -10.142 -3.322 -6.250 1.00 0.00 N ATOM 890 CA THR A 56 -10.266 -4.123 -7.456 1.00 0.00 C ATOM 891 C THR A 56 -10.276 -5.613 -7.108 1.00 0.00 C ATOM 892 O THR A 56 -11.063 -6.379 -7.662 1.00 0.00 O ATOM 893 CB THR A 56 -9.132 -3.728 -8.405 1.00 0.00 C ATOM 894 OG1 THR A 56 -9.427 -4.431 -9.609 1.00 0.00 O ATOM 895 CG2 THR A 56 -7.779 -4.292 -7.966 1.00 0.00 C ATOM 0 H THR A 56 -9.362 -3.580 -5.645 1.00 0.00 H new ATOM 0 HA THR A 56 -11.213 -3.933 -7.961 1.00 0.00 H new ATOM 0 HB THR A 56 -9.070 -2.641 -8.465 1.00 0.00 H new ATOM 0 HG1 THR A 56 -8.742 -4.231 -10.281 1.00 0.00 H new ATOM 0 HG21 THR A 56 -7.009 -3.983 -8.673 1.00 0.00 H new ATOM 0 HG22 THR A 56 -7.533 -3.915 -6.973 1.00 0.00 H new ATOM 0 HG23 THR A 56 -7.830 -5.380 -7.939 1.00 0.00 H new ATOM 903 N ALA A 57 -9.392 -5.979 -6.191 1.00 0.00 N ATOM 904 CA ALA A 57 -9.289 -7.364 -5.762 1.00 0.00 C ATOM 905 C ALA A 57 -8.575 -7.423 -4.410 1.00 0.00 C ATOM 906 O ALA A 57 -8.016 -6.426 -3.956 1.00 0.00 O ATOM 907 CB ALA A 57 -8.569 -8.179 -6.838 1.00 0.00 C ATOM 0 H ALA A 57 -8.741 -5.341 -5.733 1.00 0.00 H new ATOM 0 HA ALA A 57 -10.279 -7.800 -5.631 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -8.492 -9.218 -6.517 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -9.132 -8.129 -7.770 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -7.570 -7.772 -6.995 1.00 0.00 H new ATOM 913 N THR A 58 -8.617 -8.601 -3.806 1.00 0.00 N ATOM 914 CA THR A 58 -7.981 -8.802 -2.515 1.00 0.00 C ATOM 915 C THR A 58 -7.493 -10.247 -2.380 1.00 0.00 C ATOM 916 O THR A 58 -8.062 -11.156 -2.983 1.00 0.00 O ATOM 917 CB THR A 58 -8.977 -8.394 -1.428 1.00 0.00 C ATOM 918 OG1 THR A 58 -8.790 -6.987 -1.298 1.00 0.00 O ATOM 919 CG2 THR A 58 -8.602 -8.948 -0.052 1.00 0.00 C ATOM 0 H THR A 58 -9.081 -9.426 -4.186 1.00 0.00 H new ATOM 0 HA THR A 58 -7.092 -8.180 -2.411 1.00 0.00 H new ATOM 0 HB THR A 58 -9.974 -8.742 -1.700 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.402 -6.631 -2.124 1.00 0.00 H new ATOM 0 HG21 THR A 58 -9.341 -8.629 0.683 1.00 0.00 H new ATOM 0 HG22 THR A 58 -8.577 -10.037 -0.093 1.00 0.00 H new ATOM 0 HG23 THR A 58 -7.620 -8.573 0.236 1.00 0.00 H new ATOM 927 N SER A 59 -6.446 -10.412 -1.587 1.00 0.00 N ATOM 928 CA SER A 59 -5.875 -11.730 -1.365 1.00 0.00 C ATOM 929 C SER A 59 -5.119 -11.757 -0.036 1.00 0.00 C ATOM 930 O SER A 59 -4.884 -10.712 0.569 1.00 0.00 O ATOM 931 CB SER A 59 -4.945 -12.128 -2.513 1.00 0.00 C ATOM 932 OG SER A 59 -4.733 -11.053 -3.425 1.00 0.00 O ATOM 0 H SER A 59 -5.977 -9.655 -1.090 1.00 0.00 H new ATOM 0 HA SER A 59 -6.690 -12.453 -1.326 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.987 -12.454 -2.107 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.371 -12.978 -3.047 1.00 0.00 H new ATOM 0 HG SER A 59 -4.133 -11.346 -4.142 1.00 0.00 H new ATOM 938 N THR A 60 -4.759 -12.962 0.380 1.00 0.00 N ATOM 939 CA THR A 60 -4.034 -13.138 1.627 1.00 0.00 C ATOM 940 C THR A 60 -2.606 -13.615 1.351 1.00 0.00 C ATOM 941 O THR A 60 -2.393 -14.770 0.987 1.00 0.00 O ATOM 942 CB THR A 60 -4.835 -14.099 2.508 1.00 0.00 C ATOM 943 OG1 THR A 60 -5.636 -14.831 1.585 1.00 0.00 O ATOM 944 CG2 THR A 60 -5.853 -13.372 3.390 1.00 0.00 C ATOM 0 H THR A 60 -4.956 -13.826 -0.124 1.00 0.00 H new ATOM 0 HA THR A 60 -3.931 -12.193 2.161 1.00 0.00 H new ATOM 0 HB THR A 60 -4.152 -14.671 3.136 1.00 0.00 H new ATOM 0 HG1 THR A 60 -6.187 -15.479 2.072 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.395 -14.099 3.995 1.00 0.00 H new ATOM 0 HG22 THR A 60 -5.333 -12.671 4.043 1.00 0.00 H new ATOM 0 HG23 THR A 60 -6.557 -12.828 2.760 1.00 0.00 H new ATOM 952 N VAL A 61 -1.666 -12.700 1.534 1.00 0.00 N ATOM 953 CA VAL A 61 -0.264 -13.012 1.309 1.00 0.00 C ATOM 954 C VAL A 61 0.605 -12.053 2.125 1.00 0.00 C ATOM 955 O VAL A 61 0.097 -11.102 2.718 1.00 0.00 O ATOM 956 CB VAL A 61 0.047 -12.974 -0.188 1.00 0.00 C ATOM 957 CG1 VAL A 61 1.019 -14.090 -0.575 1.00 0.00 C ATOM 958 CG2 VAL A 61 -1.237 -13.053 -1.017 1.00 0.00 C ATOM 0 H VAL A 61 -1.847 -11.743 1.835 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.039 -14.023 1.648 1.00 0.00 H new ATOM 0 HB VAL A 61 0.528 -12.021 -0.406 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.223 -14.040 -1.645 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.950 -13.969 -0.022 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.577 -15.057 -0.335 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.988 -13.024 -2.078 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.759 -13.983 -0.792 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.881 -12.208 -0.772 1.00 0.00 H new ATOM 968 N THR A 62 1.899 -12.336 2.130 1.00 0.00 N ATOM 969 CA THR A 62 2.843 -11.510 2.863 1.00 0.00 C ATOM 970 C THR A 62 2.956 -10.128 2.218 1.00 0.00 C ATOM 971 O THR A 62 2.016 -9.659 1.577 1.00 0.00 O ATOM 972 CB THR A 62 4.175 -12.261 2.930 1.00 0.00 C ATOM 973 OG1 THR A 62 3.800 -13.635 2.917 1.00 0.00 O ATOM 974 CG2 THR A 62 4.882 -12.079 4.275 1.00 0.00 C ATOM 0 H THR A 62 2.316 -13.126 1.638 1.00 0.00 H new ATOM 0 HA THR A 62 2.503 -11.330 3.883 1.00 0.00 H new ATOM 0 HB THR A 62 4.827 -11.916 2.128 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.604 -14.194 2.956 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.821 -12.632 4.270 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.085 -11.021 4.439 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.244 -12.455 5.075 1.00 0.00 H new ATOM 982 N LEU A 63 4.115 -9.514 2.408 1.00 0.00 N ATOM 983 CA LEU A 63 4.363 -8.195 1.853 1.00 0.00 C ATOM 984 C LEU A 63 5.265 -8.325 0.624 1.00 0.00 C ATOM 985 O LEU A 63 4.816 -8.127 -0.504 1.00 0.00 O ATOM 986 CB LEU A 63 4.918 -7.257 2.926 1.00 0.00 C ATOM 987 CG LEU A 63 6.037 -7.826 3.801 1.00 0.00 C ATOM 988 CD1 LEU A 63 7.347 -7.069 3.578 1.00 0.00 C ATOM 989 CD2 LEU A 63 5.627 -7.840 5.275 1.00 0.00 C ATOM 0 H LEU A 63 4.893 -9.906 2.939 1.00 0.00 H new ATOM 0 HA LEU A 63 3.430 -7.742 1.518 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.289 -6.356 2.437 1.00 0.00 H new ATOM 0 HB3 LEU A 63 4.096 -6.952 3.574 1.00 0.00 H new ATOM 0 HG LEU A 63 6.209 -8.861 3.505 1.00 0.00 H new ATOM 0 HD11 LEU A 63 8.125 -7.494 4.212 1.00 0.00 H new ATOM 0 HD12 LEU A 63 7.644 -7.155 2.533 1.00 0.00 H new ATOM 0 HD13 LEU A 63 7.207 -6.018 3.830 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.440 -8.249 5.875 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.411 -6.823 5.602 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.738 -8.458 5.399 1.00 0.00 H new ATOM 1001 N ASP A 64 6.521 -8.657 0.884 1.00 0.00 N ATOM 1002 CA ASP A 64 7.490 -8.817 -0.187 1.00 0.00 C ATOM 1003 C ASP A 64 6.978 -9.861 -1.181 1.00 0.00 C ATOM 1004 O ASP A 64 7.556 -10.039 -2.252 1.00 0.00 O ATOM 1005 CB ASP A 64 8.836 -9.300 0.356 1.00 0.00 C ATOM 1006 CG ASP A 64 10.050 -8.498 -0.117 1.00 0.00 C ATOM 1007 OD1 ASP A 64 9.935 -7.615 -0.980 1.00 0.00 O ATOM 1008 OD2 ASP A 64 11.166 -8.815 0.446 1.00 0.00 O ATOM 0 H ASP A 64 6.890 -8.820 1.821 1.00 0.00 H new ATOM 0 HA ASP A 64 7.623 -7.849 -0.669 1.00 0.00 H new ATOM 0 HB2 ASP A 64 8.803 -9.271 1.445 1.00 0.00 H new ATOM 0 HB3 ASP A 64 8.974 -10.342 0.069 1.00 0.00 H new ATOM 1014 N THR A 65 5.900 -10.525 -0.790 1.00 0.00 N ATOM 1015 CA THR A 65 5.304 -11.547 -1.634 1.00 0.00 C ATOM 1016 C THR A 65 4.544 -10.904 -2.795 1.00 0.00 C ATOM 1017 O THR A 65 4.025 -11.602 -3.665 1.00 0.00 O ATOM 1018 CB THR A 65 4.425 -12.436 -0.750 1.00 0.00 C ATOM 1019 OG1 THR A 65 3.907 -11.544 0.233 1.00 0.00 O ATOM 1020 CG2 THR A 65 5.241 -13.448 0.057 1.00 0.00 C ATOM 0 H THR A 65 5.424 -10.375 0.100 1.00 0.00 H new ATOM 0 HA THR A 65 6.067 -12.174 -2.095 1.00 0.00 H new ATOM 0 HB THR A 65 3.703 -12.965 -1.371 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.433 -10.809 -0.209 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.570 -14.053 0.667 1.00 0.00 H new ATOM 0 HG22 THR A 65 5.795 -14.094 -0.624 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.940 -12.918 0.704 1.00 0.00 H new ATOM 1028 N LEU A 66 4.502 -9.580 -2.772 1.00 0.00 N ATOM 1029 CA LEU A 66 3.815 -8.835 -3.813 1.00 0.00 C ATOM 1030 C LEU A 66 4.091 -7.341 -3.632 1.00 0.00 C ATOM 1031 O LEU A 66 4.301 -6.622 -4.608 1.00 0.00 O ATOM 1032 CB LEU A 66 2.326 -9.187 -3.829 1.00 0.00 C ATOM 1033 CG LEU A 66 1.581 -9.014 -2.503 1.00 0.00 C ATOM 1034 CD1 LEU A 66 0.846 -7.673 -2.458 1.00 0.00 C ATOM 1035 CD2 LEU A 66 0.640 -10.193 -2.245 1.00 0.00 C ATOM 0 H LEU A 66 4.933 -9.004 -2.049 1.00 0.00 H new ATOM 0 HA LEU A 66 4.196 -9.113 -4.795 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.835 -8.570 -4.582 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.222 -10.224 -4.149 1.00 0.00 H new ATOM 0 HG LEU A 66 2.315 -9.006 -1.697 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.325 -7.575 -1.506 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.565 -6.860 -2.563 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.124 -7.626 -3.273 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.123 -10.045 -1.297 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.091 -10.258 -3.051 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.217 -11.117 -2.204 1.00 0.00 H new ATOM 1047 N THR A 67 4.083 -6.918 -2.376 1.00 0.00 N ATOM 1048 CA THR A 67 4.330 -5.523 -2.055 1.00 0.00 C ATOM 1049 C THR A 67 5.508 -4.988 -2.872 1.00 0.00 C ATOM 1050 O THR A 67 6.375 -5.753 -3.291 1.00 0.00 O ATOM 1051 CB THR A 67 4.541 -5.416 -0.543 1.00 0.00 C ATOM 1052 OG1 THR A 67 4.133 -4.087 -0.229 1.00 0.00 O ATOM 1053 CG2 THR A 67 6.020 -5.453 -0.154 1.00 0.00 C ATOM 0 H THR A 67 3.909 -7.517 -1.569 1.00 0.00 H new ATOM 0 HA THR A 67 3.478 -4.899 -2.324 1.00 0.00 H new ATOM 0 HB THR A 67 4.014 -6.230 -0.045 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.382 -3.878 0.695 1.00 0.00 H new ATOM 0 HG21 THR A 67 6.113 -5.374 0.929 1.00 0.00 H new ATOM 0 HG22 THR A 67 6.461 -6.392 -0.488 1.00 0.00 H new ATOM 0 HG23 THR A 67 6.541 -4.620 -0.625 1.00 0.00 H new ATOM 1061 N GLU A 68 5.501 -3.678 -3.074 1.00 0.00 N ATOM 1062 CA GLU A 68 6.558 -3.033 -3.833 1.00 0.00 C ATOM 1063 C GLU A 68 7.929 -3.453 -3.299 1.00 0.00 C ATOM 1064 O GLU A 68 8.927 -3.377 -4.013 1.00 0.00 O ATOM 1065 CB GLU A 68 6.402 -1.511 -3.804 1.00 0.00 C ATOM 1066 CG GLU A 68 5.654 -1.013 -5.042 1.00 0.00 C ATOM 1067 CD GLU A 68 6.608 -0.322 -6.019 1.00 0.00 C ATOM 1068 OE1 GLU A 68 7.718 0.069 -5.629 1.00 0.00 O ATOM 1069 OE2 GLU A 68 6.160 -0.199 -7.223 1.00 0.00 O ATOM 0 H GLU A 68 4.780 -3.047 -2.725 1.00 0.00 H new ATOM 0 HA GLU A 68 6.481 -3.355 -4.872 1.00 0.00 H new ATOM 0 HB2 GLU A 68 5.862 -1.214 -2.905 1.00 0.00 H new ATOM 0 HB3 GLU A 68 7.385 -1.042 -3.755 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.165 -1.852 -5.538 1.00 0.00 H new ATOM 0 HG3 GLU A 68 4.869 -0.319 -4.742 1.00 0.00 H new ATOM 1077 N LYS A 69 7.932 -3.888 -2.047 1.00 0.00 N ATOM 1078 CA LYS A 69 9.164 -4.321 -1.409 1.00 0.00 C ATOM 1079 C LYS A 69 9.900 -5.290 -2.336 1.00 0.00 C ATOM 1080 O LYS A 69 11.130 -5.330 -2.349 1.00 0.00 O ATOM 1081 CB LYS A 69 8.874 -4.898 -0.022 1.00 0.00 C ATOM 1082 CG LYS A 69 10.172 -5.151 0.749 1.00 0.00 C ATOM 1083 CD LYS A 69 9.916 -6.015 1.985 1.00 0.00 C ATOM 1084 CE LYS A 69 11.230 -6.395 2.670 1.00 0.00 C ATOM 1085 NZ LYS A 69 11.019 -7.518 3.610 1.00 0.00 N ATOM 0 H LYS A 69 7.102 -3.950 -1.458 1.00 0.00 H new ATOM 0 HA LYS A 69 9.827 -3.472 -1.244 1.00 0.00 H new ATOM 0 HB2 LYS A 69 8.243 -4.208 0.538 1.00 0.00 H new ATOM 0 HB3 LYS A 69 8.318 -5.830 -0.121 1.00 0.00 H new ATOM 0 HG2 LYS A 69 10.895 -5.645 0.099 1.00 0.00 H new ATOM 0 HG3 LYS A 69 10.611 -4.200 1.050 1.00 0.00 H new ATOM 0 HD2 LYS A 69 9.280 -5.474 2.686 1.00 0.00 H new ATOM 0 HD3 LYS A 69 9.378 -6.918 1.697 1.00 0.00 H new ATOM 0 HE2 LYS A 69 11.970 -6.675 1.920 1.00 0.00 H new ATOM 0 HE3 LYS A 69 11.629 -5.534 3.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 11.908 -8.045 3.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 10.713 -7.146 4.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 10.287 -8.154 3.233 1.00 0.00 H new ATOM 1098 N HIS A 70 9.117 -6.048 -3.090 1.00 0.00 N ATOM 1099 CA HIS A 70 9.680 -7.014 -4.019 1.00 0.00 C ATOM 1100 C HIS A 70 10.420 -6.279 -5.138 1.00 0.00 C ATOM 1101 O HIS A 70 11.597 -6.538 -5.383 1.00 0.00 O ATOM 1102 CB HIS A 70 8.596 -7.957 -4.544 1.00 0.00 C ATOM 1103 CG HIS A 70 8.937 -8.612 -5.862 1.00 0.00 C ATOM 1104 ND1 HIS A 70 8.607 -8.053 -7.084 1.00 0.00 N ATOM 1105 CD2 HIS A 70 9.583 -9.782 -6.134 1.00 0.00 C ATOM 1106 CE1 HIS A 70 9.039 -8.860 -8.043 1.00 0.00 C ATOM 1107 NE2 HIS A 70 9.643 -9.931 -7.452 1.00 0.00 N ATOM 0 H HIS A 70 8.098 -6.013 -3.077 1.00 0.00 H new ATOM 0 HA HIS A 70 10.406 -7.641 -3.502 1.00 0.00 H new ATOM 0 HB2 HIS A 70 8.413 -8.733 -3.801 1.00 0.00 H new ATOM 0 HB3 HIS A 70 7.667 -7.399 -4.657 1.00 0.00 H new ATOM 0 HD2 HIS A 70 9.979 -10.470 -5.402 1.00 0.00 H new ATOM 0 HE1 HIS A 70 8.932 -8.698 -9.105 1.00 0.00 H new ATOM 0 HE2 HIS A 70 10.070 -10.717 -7.942 1.00 0.00 H new ATOM 1115 N ALA A 71 9.699 -5.377 -5.788 1.00 0.00 N ATOM 1116 CA ALA A 71 10.273 -4.603 -6.876 1.00 0.00 C ATOM 1117 C ALA A 71 11.509 -3.858 -6.369 1.00 0.00 C ATOM 1118 O ALA A 71 12.489 -3.707 -7.096 1.00 0.00 O ATOM 1119 CB ALA A 71 9.213 -3.657 -7.443 1.00 0.00 C ATOM 0 H ALA A 71 8.723 -5.165 -5.582 1.00 0.00 H new ATOM 0 HA ALA A 71 10.593 -5.258 -7.687 1.00 0.00 H new ATOM 0 HB1 ALA A 71 9.643 -3.076 -8.259 1.00 0.00 H new ATOM 0 HB2 ALA A 71 8.369 -4.238 -7.816 1.00 0.00 H new ATOM 0 HB3 ALA A 71 8.871 -2.982 -6.658 1.00 0.00 H new ATOM 1125 N GLU A 72 11.422 -3.411 -5.125 1.00 0.00 N ATOM 1126 CA GLU A 72 12.521 -2.684 -4.512 1.00 0.00 C ATOM 1127 C GLU A 72 13.684 -3.633 -4.214 1.00 0.00 C ATOM 1128 O GLU A 72 14.838 -3.312 -4.489 1.00 0.00 O ATOM 1129 CB GLU A 72 12.062 -1.963 -3.243 1.00 0.00 C ATOM 1130 CG GLU A 72 12.508 -0.500 -3.252 1.00 0.00 C ATOM 1131 CD GLU A 72 11.473 0.393 -2.564 1.00 0.00 C ATOM 1132 OE1 GLU A 72 10.267 0.116 -2.641 1.00 0.00 O ATOM 1133 OE2 GLU A 72 11.961 1.405 -1.931 1.00 0.00 O ATOM 0 H GLU A 72 10.607 -3.538 -4.525 1.00 0.00 H new ATOM 0 HA GLU A 72 12.867 -1.926 -5.215 1.00 0.00 H new ATOM 0 HB2 GLU A 72 10.976 -2.015 -3.163 1.00 0.00 H new ATOM 0 HB3 GLU A 72 12.471 -2.466 -2.367 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.469 -0.406 -2.746 1.00 0.00 H new ATOM 0 HG3 GLU A 72 12.655 -0.167 -4.279 1.00 0.00 H new ATOM 1141 N GLN A 73 13.338 -4.784 -3.655 1.00 0.00 N ATOM 1142 CA GLN A 73 14.338 -5.782 -3.316 1.00 0.00 C ATOM 1143 C GLN A 73 15.257 -6.039 -4.512 1.00 0.00 C ATOM 1144 O GLN A 73 16.455 -6.261 -4.343 1.00 0.00 O ATOM 1145 CB GLN A 73 13.680 -7.079 -2.841 1.00 0.00 C ATOM 1146 CG GLN A 73 14.453 -7.689 -1.670 1.00 0.00 C ATOM 1147 CD GLN A 73 14.920 -9.108 -2.001 1.00 0.00 C ATOM 1148 OE1 GLN A 73 16.069 -9.350 -2.331 1.00 0.00 O ATOM 1149 NE2 GLN A 73 13.966 -10.029 -1.896 1.00 0.00 N ATOM 0 H GLN A 73 12.379 -5.047 -3.429 1.00 0.00 H new ATOM 0 HA GLN A 73 14.942 -5.398 -2.494 1.00 0.00 H new ATOM 0 HB2 GLN A 73 12.652 -6.880 -2.538 1.00 0.00 H new ATOM 0 HB3 GLN A 73 13.637 -7.792 -3.664 1.00 0.00 H new ATOM 0 HG2 GLN A 73 15.315 -7.065 -1.434 1.00 0.00 H new ATOM 0 HG3 GLN A 73 13.820 -7.708 -0.783 1.00 0.00 H new ATOM 0 HE21 GLN A 73 13.024 -9.758 -1.614 1.00 0.00 H new ATOM 0 HE22 GLN A 73 14.177 -11.007 -2.097 1.00 0.00 H new ATOM 1158 N GLU A 74 14.661 -6.001 -5.695 1.00 0.00 N ATOM 1159 CA GLU A 74 15.411 -6.227 -6.919 1.00 0.00 C ATOM 1160 C GLU A 74 15.751 -4.894 -7.587 1.00 0.00 C ATOM 1161 O GLU A 74 15.878 -4.822 -8.809 1.00 0.00 O ATOM 1162 CB GLU A 74 14.639 -7.138 -7.875 1.00 0.00 C ATOM 1163 CG GLU A 74 15.198 -8.562 -7.846 1.00 0.00 C ATOM 1164 CD GLU A 74 15.504 -9.059 -9.261 1.00 0.00 C ATOM 1165 OE1 GLU A 74 14.984 -8.503 -10.239 1.00 0.00 O ATOM 1166 OE2 GLU A 74 16.314 -10.061 -9.323 1.00 0.00 O ATOM 0 H GLU A 74 13.667 -5.817 -5.832 1.00 0.00 H new ATOM 0 HA GLU A 74 16.343 -6.731 -6.663 1.00 0.00 H new ATOM 0 HB2 GLU A 74 13.585 -7.152 -7.598 1.00 0.00 H new ATOM 0 HB3 GLU A 74 14.698 -6.741 -8.888 1.00 0.00 H new ATOM 0 HG2 GLU A 74 16.106 -8.588 -7.243 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.480 -9.229 -7.370 1.00 0.00 H new ATOM 1174 N ASN A 75 15.888 -3.870 -6.757 1.00 0.00 N ATOM 1175 CA ASN A 75 16.211 -2.543 -7.253 1.00 0.00 C ATOM 1176 C ASN A 75 17.027 -1.794 -6.198 1.00 0.00 C ATOM 1177 O ASN A 75 18.163 -1.396 -6.453 1.00 0.00 O ATOM 1178 CB ASN A 75 14.942 -1.735 -7.530 1.00 0.00 C ATOM 1179 CG ASN A 75 15.164 -0.738 -8.669 1.00 0.00 C ATOM 1180 OD1 ASN A 75 16.241 -0.193 -8.850 1.00 0.00 O ATOM 1181 ND2 ASN A 75 14.089 -0.530 -9.424 1.00 0.00 N ATOM 0 H ASN A 75 15.781 -3.933 -5.745 1.00 0.00 H new ATOM 0 HA ASN A 75 16.775 -2.657 -8.178 1.00 0.00 H new ATOM 0 HB2 ASN A 75 14.126 -2.410 -7.787 1.00 0.00 H new ATOM 0 HB3 ASN A 75 14.642 -1.201 -6.628 1.00 0.00 H new ATOM 0 HD21 ASN A 75 14.135 0.119 -10.210 1.00 0.00 H new ATOM 0 HD22 ASN A 75 13.218 -1.019 -9.217 1.00 0.00 H new ATOM 1188 N MET A 76 16.416 -1.623 -5.034 1.00 0.00 N ATOM 1189 CA MET A 76 17.072 -0.929 -3.939 1.00 0.00 C ATOM 1190 C MET A 76 17.840 -1.909 -3.050 1.00 0.00 C ATOM 1191 O MET A 76 17.813 -3.116 -3.283 1.00 0.00 O ATOM 1192 CB MET A 76 16.025 -0.192 -3.102 1.00 0.00 C ATOM 1193 CG MET A 76 15.174 0.731 -3.976 1.00 0.00 C ATOM 1194 SD MET A 76 16.219 1.905 -4.823 1.00 0.00 S ATOM 1195 CE MET A 76 15.813 1.516 -6.517 1.00 0.00 C ATOM 0 H MET A 76 15.474 -1.953 -4.826 1.00 0.00 H new ATOM 0 HA MET A 76 17.782 -0.216 -4.359 1.00 0.00 H new ATOM 0 HB2 MET A 76 15.383 -0.914 -2.598 1.00 0.00 H new ATOM 0 HB3 MET A 76 16.520 0.391 -2.326 1.00 0.00 H new ATOM 0 HG2 MET A 76 14.612 0.142 -4.701 1.00 0.00 H new ATOM 0 HG3 MET A 76 14.445 1.258 -3.360 1.00 0.00 H new ATOM 0 HE1 MET A 76 15.846 2.425 -7.117 1.00 0.00 H new ATOM 0 HE2 MET A 76 16.533 0.797 -6.908 1.00 0.00 H new ATOM 0 HE3 MET A 76 14.812 1.088 -6.562 1.00 0.00 H new ATOM 1205 N THR A 77 18.506 -1.352 -2.049 1.00 0.00 N ATOM 1206 CA THR A 77 19.281 -2.162 -1.124 1.00 0.00 C ATOM 1207 C THR A 77 18.394 -2.660 0.020 1.00 0.00 C ATOM 1208 O THR A 77 17.183 -2.446 0.009 1.00 0.00 O ATOM 1209 CB THR A 77 20.473 -1.329 -0.650 1.00 0.00 C ATOM 1210 OG1 THR A 77 21.155 -2.186 0.261 1.00 0.00 O ATOM 1211 CG2 THR A 77 20.050 -0.135 0.208 1.00 0.00 C ATOM 0 H THR A 77 18.525 -0.350 -1.858 1.00 0.00 H new ATOM 0 HA THR A 77 19.666 -3.059 -1.610 1.00 0.00 H new ATOM 0 HB THR A 77 21.033 -0.974 -1.515 1.00 0.00 H new ATOM 0 HG1 THR A 77 21.450 -2.994 -0.208 1.00 0.00 H new ATOM 0 HG21 THR A 77 20.934 0.422 0.518 1.00 0.00 H new ATOM 0 HG22 THR A 77 19.396 0.516 -0.372 1.00 0.00 H new ATOM 0 HG23 THR A 77 19.518 -0.491 1.090 1.00 0.00 H new ATOM 1219 N LEU A 78 19.032 -3.314 0.979 1.00 0.00 N ATOM 1220 CA LEU A 78 18.317 -3.843 2.128 1.00 0.00 C ATOM 1221 C LEU A 78 17.854 -2.684 3.013 1.00 0.00 C ATOM 1222 O LEU A 78 16.751 -2.717 3.556 1.00 0.00 O ATOM 1223 CB LEU A 78 19.174 -4.875 2.864 1.00 0.00 C ATOM 1224 CG LEU A 78 18.965 -6.334 2.456 1.00 0.00 C ATOM 1225 CD1 LEU A 78 19.738 -6.663 1.178 1.00 0.00 C ATOM 1226 CD2 LEU A 78 19.324 -7.281 3.603 1.00 0.00 C ATOM 0 H LEU A 78 20.037 -3.490 0.984 1.00 0.00 H new ATOM 0 HA LEU A 78 17.422 -4.377 1.807 1.00 0.00 H new ATOM 0 HB2 LEU A 78 20.223 -4.622 2.711 1.00 0.00 H new ATOM 0 HB3 LEU A 78 18.977 -4.786 3.932 1.00 0.00 H new ATOM 0 HG LEU A 78 17.907 -6.479 2.238 1.00 0.00 H new ATOM 0 HD11 LEU A 78 19.572 -7.707 0.911 1.00 0.00 H new ATOM 0 HD12 LEU A 78 19.392 -6.021 0.368 1.00 0.00 H new ATOM 0 HD13 LEU A 78 20.802 -6.496 1.343 1.00 0.00 H new ATOM 0 HD21 LEU A 78 19.166 -8.312 3.286 1.00 0.00 H new ATOM 0 HD22 LEU A 78 20.370 -7.141 3.876 1.00 0.00 H new ATOM 0 HD23 LEU A 78 18.692 -7.065 4.464 1.00 0.00 H new ATOM 1238 N THR A 79 18.719 -1.688 3.130 1.00 0.00 N ATOM 1239 CA THR A 79 18.412 -0.521 3.940 1.00 0.00 C ATOM 1240 C THR A 79 17.109 0.127 3.469 1.00 0.00 C ATOM 1241 O THR A 79 16.203 0.359 4.268 1.00 0.00 O ATOM 1242 CB THR A 79 19.615 0.422 3.884 1.00 0.00 C ATOM 1243 OG1 THR A 79 20.414 0.033 4.998 1.00 0.00 O ATOM 1244 CG2 THR A 79 19.236 1.873 4.186 1.00 0.00 C ATOM 0 H THR A 79 19.633 -1.665 2.677 1.00 0.00 H new ATOM 0 HA THR A 79 18.244 -0.795 4.981 1.00 0.00 H new ATOM 0 HB THR A 79 20.075 0.365 2.897 1.00 0.00 H new ATOM 0 HG1 THR A 79 21.217 0.593 5.036 1.00 0.00 H new ATOM 0 HG21 THR A 79 20.126 2.500 4.133 1.00 0.00 H new ATOM 0 HG22 THR A 79 18.505 2.218 3.455 1.00 0.00 H new ATOM 0 HG23 THR A 79 18.806 1.936 5.186 1.00 0.00 H new ATOM 1252 N GLU A 80 17.056 0.401 2.174 1.00 0.00 N ATOM 1253 CA GLU A 80 15.879 1.018 1.587 1.00 0.00 C ATOM 1254 C GLU A 80 14.640 0.163 1.860 1.00 0.00 C ATOM 1255 O GLU A 80 13.586 0.688 2.216 1.00 0.00 O ATOM 1256 CB GLU A 80 16.069 1.244 0.086 1.00 0.00 C ATOM 1257 CG GLU A 80 16.210 2.735 -0.231 1.00 0.00 C ATOM 1258 CD GLU A 80 16.452 2.958 -1.725 1.00 0.00 C ATOM 1259 OE1 GLU A 80 15.501 3.227 -2.474 1.00 0.00 O ATOM 1260 OE2 GLU A 80 17.681 2.842 -2.101 1.00 0.00 O ATOM 0 H GLU A 80 17.810 0.207 1.514 1.00 0.00 H new ATOM 0 HA GLU A 80 15.734 1.993 2.052 1.00 0.00 H new ATOM 0 HB2 GLU A 80 16.956 0.710 -0.256 1.00 0.00 H new ATOM 0 HB3 GLU A 80 15.219 0.832 -0.458 1.00 0.00 H new ATOM 0 HG2 GLU A 80 15.308 3.263 0.077 1.00 0.00 H new ATOM 0 HG3 GLU A 80 17.037 3.155 0.342 1.00 0.00 H new ATOM 1268 N LEU A 81 14.808 -1.139 1.683 1.00 0.00 N ATOM 1269 CA LEU A 81 13.716 -2.072 1.905 1.00 0.00 C ATOM 1270 C LEU A 81 13.214 -1.929 3.344 1.00 0.00 C ATOM 1271 O LEU A 81 12.012 -1.994 3.595 1.00 0.00 O ATOM 1272 CB LEU A 81 14.144 -3.495 1.542 1.00 0.00 C ATOM 1273 CG LEU A 81 14.195 -3.819 0.047 1.00 0.00 C ATOM 1274 CD1 LEU A 81 13.011 -4.696 -0.363 1.00 0.00 C ATOM 1275 CD2 LEU A 81 14.279 -2.540 -0.788 1.00 0.00 C ATOM 0 H LEU A 81 15.684 -1.570 1.388 1.00 0.00 H new ATOM 0 HA LEU A 81 12.877 -1.840 1.249 1.00 0.00 H new ATOM 0 HB2 LEU A 81 15.131 -3.676 1.967 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.458 -4.193 2.022 1.00 0.00 H new ATOM 0 HG LEU A 81 15.102 -4.391 -0.149 1.00 0.00 H new ATOM 0 HD11 LEU A 81 13.070 -4.912 -1.430 1.00 0.00 H new ATOM 0 HD12 LEU A 81 13.038 -5.630 0.198 1.00 0.00 H new ATOM 0 HD13 LEU A 81 12.079 -4.172 -0.150 1.00 0.00 H new ATOM 0 HD21 LEU A 81 14.314 -2.798 -1.846 1.00 0.00 H new ATOM 0 HD22 LEU A 81 13.403 -1.921 -0.594 1.00 0.00 H new ATOM 0 HD23 LEU A 81 15.180 -1.988 -0.519 1.00 0.00 H new ATOM 1287 N LYS A 82 14.161 -1.737 4.251 1.00 0.00 N ATOM 1288 CA LYS A 82 13.831 -1.585 5.657 1.00 0.00 C ATOM 1289 C LYS A 82 13.134 -0.239 5.870 1.00 0.00 C ATOM 1290 O LYS A 82 12.291 -0.106 6.756 1.00 0.00 O ATOM 1291 CB LYS A 82 15.077 -1.775 6.524 1.00 0.00 C ATOM 1292 CG LYS A 82 14.757 -2.608 7.768 1.00 0.00 C ATOM 1293 CD LYS A 82 15.102 -4.082 7.545 1.00 0.00 C ATOM 1294 CE LYS A 82 15.021 -4.868 8.854 1.00 0.00 C ATOM 1295 NZ LYS A 82 15.166 -6.318 8.598 1.00 0.00 N ATOM 0 H LYS A 82 15.157 -1.683 4.039 1.00 0.00 H new ATOM 0 HA LYS A 82 13.132 -2.361 5.970 1.00 0.00 H new ATOM 0 HB2 LYS A 82 15.857 -2.267 5.943 1.00 0.00 H new ATOM 0 HB3 LYS A 82 15.468 -0.803 6.824 1.00 0.00 H new ATOM 0 HG2 LYS A 82 15.317 -2.225 8.621 1.00 0.00 H new ATOM 0 HG3 LYS A 82 13.699 -2.511 8.012 1.00 0.00 H new ATOM 0 HD2 LYS A 82 14.417 -4.513 6.815 1.00 0.00 H new ATOM 0 HD3 LYS A 82 16.106 -4.165 7.128 1.00 0.00 H new ATOM 0 HE2 LYS A 82 15.803 -4.533 9.535 1.00 0.00 H new ATOM 0 HE3 LYS A 82 14.067 -4.673 9.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 15.109 -6.837 9.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 14.405 -6.637 7.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 16.087 -6.501 8.151 1.00 0.00 H new ATOM 1308 N LYS A 83 13.511 0.724 5.042 1.00 0.00 N ATOM 1309 CA LYS A 83 12.933 2.054 5.128 1.00 0.00 C ATOM 1310 C LYS A 83 11.450 1.986 4.758 1.00 0.00 C ATOM 1311 O LYS A 83 10.596 2.446 5.514 1.00 0.00 O ATOM 1312 CB LYS A 83 13.734 3.043 4.279 1.00 0.00 C ATOM 1313 CG LYS A 83 14.139 4.269 5.100 1.00 0.00 C ATOM 1314 CD LYS A 83 12.969 5.244 5.241 1.00 0.00 C ATOM 1315 CE LYS A 83 13.186 6.193 6.421 1.00 0.00 C ATOM 1316 NZ LYS A 83 14.334 7.091 6.160 1.00 0.00 N ATOM 0 H LYS A 83 14.210 0.609 4.308 1.00 0.00 H new ATOM 0 HA LYS A 83 12.990 2.428 6.150 1.00 0.00 H new ATOM 0 HB2 LYS A 83 14.625 2.553 3.887 1.00 0.00 H new ATOM 0 HB3 LYS A 83 13.139 3.356 3.421 1.00 0.00 H new ATOM 0 HG2 LYS A 83 14.476 3.955 6.088 1.00 0.00 H new ATOM 0 HG3 LYS A 83 14.980 4.771 4.621 1.00 0.00 H new ATOM 0 HD2 LYS A 83 12.858 5.820 4.322 1.00 0.00 H new ATOM 0 HD3 LYS A 83 12.042 4.688 5.383 1.00 0.00 H new ATOM 0 HE2 LYS A 83 12.286 6.784 6.590 1.00 0.00 H new ATOM 0 HE3 LYS A 83 13.366 5.618 7.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 14.436 7.762 6.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 15.203 6.527 6.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 14.170 7.616 5.277 1.00 0.00 H new ATOM 1329 N VAL A 84 11.189 1.408 3.595 1.00 0.00 N ATOM 1330 CA VAL A 84 9.824 1.273 3.115 1.00 0.00 C ATOM 1331 C VAL A 84 9.028 0.405 4.091 1.00 0.00 C ATOM 1332 O VAL A 84 7.855 0.671 4.349 1.00 0.00 O ATOM 1333 CB VAL A 84 9.823 0.722 1.687 1.00 0.00 C ATOM 1334 CG1 VAL A 84 10.756 1.533 0.786 1.00 0.00 C ATOM 1335 CG2 VAL A 84 10.197 -0.761 1.672 1.00 0.00 C ATOM 0 H VAL A 84 11.900 1.027 2.970 1.00 0.00 H new ATOM 0 HA VAL A 84 9.336 2.247 3.074 1.00 0.00 H new ATOM 0 HB VAL A 84 8.812 0.816 1.292 1.00 0.00 H new ATOM 0 HG11 VAL A 84 10.737 1.121 -0.223 1.00 0.00 H new ATOM 0 HG12 VAL A 84 10.425 2.571 0.760 1.00 0.00 H new ATOM 0 HG13 VAL A 84 11.772 1.486 1.178 1.00 0.00 H new ATOM 0 HG21 VAL A 84 10.189 -1.128 0.646 1.00 0.00 H new ATOM 0 HG22 VAL A 84 11.193 -0.889 2.095 1.00 0.00 H new ATOM 0 HG23 VAL A 84 9.476 -1.324 2.264 1.00 0.00 H new ATOM 1345 N ILE A 85 9.698 -0.615 4.608 1.00 0.00 N ATOM 1346 CA ILE A 85 9.068 -1.523 5.550 1.00 0.00 C ATOM 1347 C ILE A 85 8.640 -0.744 6.795 1.00 0.00 C ATOM 1348 O ILE A 85 7.585 -1.012 7.368 1.00 0.00 O ATOM 1349 CB ILE A 85 9.990 -2.706 5.852 1.00 0.00 C ATOM 1350 CG1 ILE A 85 9.844 -3.799 4.792 1.00 0.00 C ATOM 1351 CG2 ILE A 85 9.749 -3.242 7.265 1.00 0.00 C ATOM 1352 CD1 ILE A 85 9.114 -5.019 5.358 1.00 0.00 C ATOM 0 H ILE A 85 10.671 -0.832 4.392 1.00 0.00 H new ATOM 0 HA ILE A 85 8.165 -1.954 5.117 1.00 0.00 H new ATOM 0 HB ILE A 85 11.021 -2.355 5.812 1.00 0.00 H new ATOM 0 HG12 ILE A 85 9.296 -3.408 3.935 1.00 0.00 H new ATOM 0 HG13 ILE A 85 10.829 -4.095 4.432 1.00 0.00 H new ATOM 0 HG21 ILE A 85 10.417 -4.082 7.454 1.00 0.00 H new ATOM 0 HG22 ILE A 85 9.944 -2.453 7.992 1.00 0.00 H new ATOM 0 HG23 ILE A 85 8.715 -3.573 7.357 1.00 0.00 H new ATOM 0 HD11 ILE A 85 9.024 -5.781 4.584 1.00 0.00 H new ATOM 0 HD12 ILE A 85 9.677 -5.422 6.200 1.00 0.00 H new ATOM 0 HD13 ILE A 85 8.120 -4.724 5.695 1.00 0.00 H new ATOM 1364 N ALA A 86 9.480 0.206 7.178 1.00 0.00 N ATOM 1365 CA ALA A 86 9.202 1.027 8.344 1.00 0.00 C ATOM 1366 C ALA A 86 8.138 2.067 7.989 1.00 0.00 C ATOM 1367 O ALA A 86 7.412 2.540 8.862 1.00 0.00 O ATOM 1368 CB ALA A 86 10.500 1.667 8.840 1.00 0.00 C ATOM 0 H ALA A 86 10.354 0.426 6.701 1.00 0.00 H new ATOM 0 HA ALA A 86 8.808 0.417 9.157 1.00 0.00 H new ATOM 0 HB1 ALA A 86 10.291 2.283 9.715 1.00 0.00 H new ATOM 0 HB2 ALA A 86 11.212 0.886 9.108 1.00 0.00 H new ATOM 0 HB3 ALA A 86 10.924 2.289 8.051 1.00 0.00 H new ATOM 1374 N ASP A 87 8.079 2.392 6.706 1.00 0.00 N ATOM 1375 CA ASP A 87 7.116 3.367 6.225 1.00 0.00 C ATOM 1376 C ASP A 87 5.750 2.695 6.068 1.00 0.00 C ATOM 1377 O ASP A 87 4.715 3.342 6.214 1.00 0.00 O ATOM 1378 CB ASP A 87 7.529 3.923 4.860 1.00 0.00 C ATOM 1379 CG ASP A 87 7.658 5.446 4.794 1.00 0.00 C ATOM 1380 OD1 ASP A 87 8.770 5.991 4.737 1.00 0.00 O ATOM 1381 OD2 ASP A 87 6.539 6.088 4.802 1.00 0.00 O ATOM 0 H ASP A 87 8.683 1.997 5.985 1.00 0.00 H new ATOM 0 HA ASP A 87 7.072 4.182 6.948 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.484 3.480 4.578 1.00 0.00 H new ATOM 0 HB3 ASP A 87 6.798 3.603 4.118 1.00 0.00 H new ATOM 1387 N ILE A 88 5.793 1.404 5.771 1.00 0.00 N ATOM 1388 CA ILE A 88 4.572 0.637 5.593 1.00 0.00 C ATOM 1389 C ILE A 88 4.067 0.165 6.958 1.00 0.00 C ATOM 1390 O ILE A 88 2.940 0.468 7.345 1.00 0.00 O ATOM 1391 CB ILE A 88 4.795 -0.499 4.593 1.00 0.00 C ATOM 1392 CG1 ILE A 88 3.529 -0.766 3.775 1.00 0.00 C ATOM 1393 CG2 ILE A 88 5.298 -1.760 5.298 1.00 0.00 C ATOM 1394 CD1 ILE A 88 3.878 -1.155 2.337 1.00 0.00 C ATOM 0 H ILE A 88 6.654 0.870 5.649 1.00 0.00 H new ATOM 0 HA ILE A 88 3.789 1.261 5.162 1.00 0.00 H new ATOM 0 HB ILE A 88 5.572 -0.190 3.893 1.00 0.00 H new ATOM 0 HG12 ILE A 88 2.952 -1.564 4.242 1.00 0.00 H new ATOM 0 HG13 ILE A 88 2.899 0.123 3.772 1.00 0.00 H new ATOM 0 HG21 ILE A 88 5.448 -2.552 4.564 1.00 0.00 H new ATOM 0 HG22 ILE A 88 6.242 -1.545 5.798 1.00 0.00 H new ATOM 0 HG23 ILE A 88 4.562 -2.083 6.035 1.00 0.00 H new ATOM 0 HD11 ILE A 88 2.961 -1.339 1.777 1.00 0.00 H new ATOM 0 HD12 ILE A 88 4.434 -0.345 1.866 1.00 0.00 H new ATOM 0 HD13 ILE A 88 4.488 -2.059 2.342 1.00 0.00 H new ATOM 1406 N TYR A 89 4.926 -0.570 7.649 1.00 0.00 N ATOM 1407 CA TYR A 89 4.582 -1.087 8.962 1.00 0.00 C ATOM 1408 C TYR A 89 5.576 -2.162 9.406 1.00 0.00 C ATOM 1409 O TYR A 89 6.082 -2.923 8.583 1.00 0.00 O ATOM 1410 CB TYR A 89 3.196 -1.720 8.816 1.00 0.00 C ATOM 1411 CG TYR A 89 3.095 -2.740 7.681 1.00 0.00 C ATOM 1412 CD1 TYR A 89 3.741 -3.955 7.785 1.00 0.00 C ATOM 1413 CD2 TYR A 89 2.357 -2.446 6.552 1.00 0.00 C ATOM 1414 CE1 TYR A 89 3.645 -4.916 6.716 1.00 0.00 C ATOM 1415 CE2 TYR A 89 2.261 -3.406 5.484 1.00 0.00 C ATOM 1416 CZ TYR A 89 2.910 -4.594 5.618 1.00 0.00 C ATOM 1417 OH TYR A 89 2.820 -5.501 4.609 1.00 0.00 O ATOM 0 H TYR A 89 5.860 -0.820 7.324 1.00 0.00 H new ATOM 0 HA TYR A 89 4.602 -0.290 9.705 1.00 0.00 H new ATOM 0 HB2 TYR A 89 2.930 -2.208 9.754 1.00 0.00 H new ATOM 0 HB3 TYR A 89 2.463 -0.931 8.648 1.00 0.00 H new ATOM 0 HD1 TYR A 89 4.319 -4.186 8.668 1.00 0.00 H new ATOM 0 HD2 TYR A 89 1.851 -1.495 6.470 1.00 0.00 H new ATOM 0 HE1 TYR A 89 4.145 -5.871 6.785 1.00 0.00 H new ATOM 0 HE2 TYR A 89 1.686 -3.188 4.596 1.00 0.00 H new ATOM 0 HH TYR A 89 3.151 -5.100 3.778 1.00 0.00 H new ATOM 1427 N PRO A 90 5.832 -2.191 10.742 1.00 0.00 N ATOM 1428 CA PRO A 90 6.756 -3.160 11.305 1.00 0.00 C ATOM 1429 C PRO A 90 6.125 -4.552 11.361 1.00 0.00 C ATOM 1430 O PRO A 90 5.001 -4.710 11.837 1.00 0.00 O ATOM 1431 CB PRO A 90 7.111 -2.613 12.678 1.00 0.00 C ATOM 1432 CG PRO A 90 6.023 -1.608 13.020 1.00 0.00 C ATOM 1433 CD PRO A 90 5.251 -1.306 11.746 1.00 0.00 C ATOM 0 HA PRO A 90 7.652 -3.288 10.698 1.00 0.00 H new ATOM 0 HB2 PRO A 90 7.151 -3.412 13.418 1.00 0.00 H new ATOM 0 HB3 PRO A 90 8.092 -2.138 12.668 1.00 0.00 H new ATOM 0 HG2 PRO A 90 5.357 -2.011 13.783 1.00 0.00 H new ATOM 0 HG3 PRO A 90 6.460 -0.696 13.427 1.00 0.00 H new ATOM 0 HD2 PRO A 90 4.186 -1.498 11.874 1.00 0.00 H new ATOM 0 HD3 PRO A 90 5.354 -0.260 11.459 1.00 0.00 H new ATOM 1441 N GLY A 91 6.874 -5.528 10.868 1.00 0.00 N ATOM 1442 CA GLY A 91 6.401 -6.901 10.856 1.00 0.00 C ATOM 1443 C GLY A 91 6.526 -7.512 9.459 1.00 0.00 C ATOM 1444 O GLY A 91 5.948 -7.001 8.501 1.00 0.00 O ATOM 0 H GLY A 91 7.805 -5.394 10.474 1.00 0.00 H new ATOM 0 HA2 GLY A 91 6.975 -7.493 11.569 1.00 0.00 H new ATOM 0 HA3 GLY A 91 5.361 -6.934 11.179 1.00 0.00 H new ATOM 1448 N GLN A 92 7.284 -8.596 9.387 1.00 0.00 N ATOM 1449 CA GLN A 92 7.492 -9.281 8.122 1.00 0.00 C ATOM 1450 C GLN A 92 6.896 -10.689 8.178 1.00 0.00 C ATOM 1451 O GLN A 92 7.629 -11.675 8.240 1.00 0.00 O ATOM 1452 CB GLN A 92 8.978 -9.329 7.762 1.00 0.00 C ATOM 1453 CG GLN A 92 9.174 -9.344 6.245 1.00 0.00 C ATOM 1454 CD GLN A 92 9.069 -10.766 5.692 1.00 0.00 C ATOM 1455 OE1 GLN A 92 9.686 -11.698 6.182 1.00 0.00 O ATOM 1456 NE2 GLN A 92 8.254 -10.882 4.647 1.00 0.00 N ATOM 0 H GLN A 92 7.762 -9.017 10.184 1.00 0.00 H new ATOM 0 HA GLN A 92 6.981 -8.721 7.339 1.00 0.00 H new ATOM 0 HB2 GLN A 92 9.488 -8.466 8.190 1.00 0.00 H new ATOM 0 HB3 GLN A 92 9.434 -10.217 8.200 1.00 0.00 H new ATOM 0 HG2 GLN A 92 8.424 -8.710 5.772 1.00 0.00 H new ATOM 0 HG3 GLN A 92 10.149 -8.925 5.997 1.00 0.00 H new ATOM 0 HE21 GLN A 92 7.768 -10.061 4.286 1.00 0.00 H new ATOM 0 HE22 GLN A 92 8.116 -11.792 4.207 1.00 0.00 H new ATOM 1465 N THR A 93 5.572 -10.739 8.152 1.00 0.00 N ATOM 1466 CA THR A 93 4.870 -12.009 8.199 1.00 0.00 C ATOM 1467 C THR A 93 3.573 -11.932 7.390 1.00 0.00 C ATOM 1468 O THR A 93 2.992 -10.858 7.244 1.00 0.00 O ATOM 1469 CB THR A 93 4.648 -12.374 9.668 1.00 0.00 C ATOM 1470 OG1 THR A 93 3.582 -11.522 10.080 1.00 0.00 O ATOM 1471 CG2 THR A 93 5.822 -11.959 10.558 1.00 0.00 C ATOM 0 H THR A 93 4.967 -9.919 8.099 1.00 0.00 H new ATOM 0 HA THR A 93 5.458 -12.802 7.738 1.00 0.00 H new ATOM 0 HB THR A 93 4.489 -13.449 9.755 1.00 0.00 H new ATOM 0 HG1 THR A 93 3.371 -11.694 11.022 1.00 0.00 H new ATOM 0 HG21 THR A 93 5.614 -12.241 11.590 1.00 0.00 H new ATOM 0 HG22 THR A 93 6.729 -12.461 10.221 1.00 0.00 H new ATOM 0 HG23 THR A 93 5.960 -10.880 10.498 1.00 0.00 H new ATOM 1479 N GLN A 94 3.159 -13.085 6.885 1.00 0.00 N ATOM 1480 CA GLN A 94 1.942 -13.161 6.095 1.00 0.00 C ATOM 1481 C GLN A 94 0.896 -12.184 6.635 1.00 0.00 C ATOM 1482 O GLN A 94 0.804 -11.972 7.843 1.00 0.00 O ATOM 1483 CB GLN A 94 1.395 -14.590 6.067 1.00 0.00 C ATOM 1484 CG GLN A 94 2.194 -15.464 5.098 1.00 0.00 C ATOM 1485 CD GLN A 94 2.082 -16.943 5.474 1.00 0.00 C ATOM 1486 OE1 GLN A 94 1.004 -17.508 5.560 1.00 0.00 O ATOM 1487 NE2 GLN A 94 3.252 -17.535 5.694 1.00 0.00 N ATOM 0 H GLN A 94 3.645 -13.974 7.008 1.00 0.00 H new ATOM 0 HA GLN A 94 2.180 -12.878 5.070 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.437 -15.019 7.068 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.346 -14.576 5.770 1.00 0.00 H new ATOM 0 HG2 GLN A 94 1.828 -15.315 4.082 1.00 0.00 H new ATOM 0 HG3 GLN A 94 3.241 -15.161 5.108 1.00 0.00 H new ATOM 0 HE21 GLN A 94 4.118 -17.003 5.605 1.00 0.00 H new ATOM 0 HE22 GLN A 94 3.284 -18.521 5.952 1.00 0.00 H new ATOM 1496 N PHE A 95 0.133 -11.614 5.713 1.00 0.00 N ATOM 1497 CA PHE A 95 -0.903 -10.665 6.081 1.00 0.00 C ATOM 1498 C PHE A 95 -1.923 -10.501 4.953 1.00 0.00 C ATOM 1499 O PHE A 95 -1.820 -11.158 3.918 1.00 0.00 O ATOM 1500 CB PHE A 95 -0.212 -9.322 6.327 1.00 0.00 C ATOM 1501 CG PHE A 95 -0.246 -8.862 7.786 1.00 0.00 C ATOM 1502 CD1 PHE A 95 -1.379 -9.018 8.522 1.00 0.00 C ATOM 1503 CD2 PHE A 95 0.857 -8.297 8.347 1.00 0.00 C ATOM 1504 CE1 PHE A 95 -1.410 -8.591 9.876 1.00 0.00 C ATOM 1505 CE2 PHE A 95 0.826 -7.871 9.701 1.00 0.00 C ATOM 1506 CZ PHE A 95 -0.307 -8.027 10.437 1.00 0.00 C ATOM 0 H PHE A 95 0.212 -11.792 4.712 1.00 0.00 H new ATOM 0 HA PHE A 95 -1.434 -11.018 6.965 1.00 0.00 H new ATOM 0 HB2 PHE A 95 0.826 -9.395 6.004 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -0.686 -8.562 5.706 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -2.255 -9.466 8.077 1.00 0.00 H new ATOM 0 HD2 PHE A 95 1.756 -8.172 7.762 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -2.310 -8.714 10.460 1.00 0.00 H new ATOM 0 HE2 PHE A 95 1.702 -7.423 10.146 1.00 0.00 H new ATOM 0 HZ PHE A 95 -0.331 -7.703 11.467 1.00 0.00 H new ATOM 1516 N TYR A 96 -2.885 -9.621 5.191 1.00 0.00 N ATOM 1517 CA TYR A 96 -3.923 -9.363 4.208 1.00 0.00 C ATOM 1518 C TYR A 96 -3.423 -8.411 3.120 1.00 0.00 C ATOM 1519 O TYR A 96 -2.715 -7.448 3.410 1.00 0.00 O ATOM 1520 CB TYR A 96 -5.068 -8.692 4.969 1.00 0.00 C ATOM 1521 CG TYR A 96 -6.354 -9.520 5.015 1.00 0.00 C ATOM 1522 CD1 TYR A 96 -6.408 -10.669 5.778 1.00 0.00 C ATOM 1523 CD2 TYR A 96 -7.460 -9.117 4.294 1.00 0.00 C ATOM 1524 CE1 TYR A 96 -7.619 -11.447 5.821 1.00 0.00 C ATOM 1525 CE2 TYR A 96 -8.670 -9.895 4.338 1.00 0.00 C ATOM 1526 CZ TYR A 96 -8.690 -11.022 5.099 1.00 0.00 C ATOM 1527 OH TYR A 96 -9.833 -11.758 5.140 1.00 0.00 O ATOM 0 H TYR A 96 -2.967 -9.078 6.050 1.00 0.00 H new ATOM 0 HA TYR A 96 -4.230 -10.289 3.723 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -4.742 -8.488 5.989 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -5.284 -7.730 4.505 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -5.543 -10.984 6.342 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -7.417 -8.218 3.697 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -7.675 -12.348 6.414 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -9.543 -9.591 3.779 1.00 0.00 H new ATOM 0 HH TYR A 96 -10.515 -11.335 4.578 1.00 0.00 H new ATOM 1537 N VAL A 97 -3.811 -8.713 1.890 1.00 0.00 N ATOM 1538 CA VAL A 97 -3.411 -7.896 0.757 1.00 0.00 C ATOM 1539 C VAL A 97 -4.657 -7.450 -0.010 1.00 0.00 C ATOM 1540 O VAL A 97 -5.507 -8.271 -0.352 1.00 0.00 O ATOM 1541 CB VAL A 97 -2.414 -8.662 -0.116 1.00 0.00 C ATOM 1542 CG1 VAL A 97 -2.095 -7.886 -1.395 1.00 0.00 C ATOM 1543 CG2 VAL A 97 -1.138 -8.984 0.664 1.00 0.00 C ATOM 0 H VAL A 97 -4.398 -9.512 1.653 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.899 -6.996 1.098 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.877 -9.606 -0.405 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.384 -8.453 -1.997 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.011 -7.732 -1.965 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -1.662 -6.920 -1.136 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.446 -9.528 0.021 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.671 -8.057 0.997 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.386 -9.597 1.531 1.00 0.00 H new ATOM 1553 N ILE A 98 -4.726 -6.150 -0.259 1.00 0.00 N ATOM 1554 CA ILE A 98 -5.854 -5.585 -0.979 1.00 0.00 C ATOM 1555 C ILE A 98 -5.345 -4.850 -2.221 1.00 0.00 C ATOM 1556 O ILE A 98 -4.421 -4.042 -2.133 1.00 0.00 O ATOM 1557 CB ILE A 98 -6.700 -4.711 -0.051 1.00 0.00 C ATOM 1558 CG1 ILE A 98 -6.690 -5.260 1.378 1.00 0.00 C ATOM 1559 CG2 ILE A 98 -8.121 -4.550 -0.593 1.00 0.00 C ATOM 1560 CD1 ILE A 98 -7.050 -6.747 1.396 1.00 0.00 C ATOM 0 H ILE A 98 -4.019 -5.472 0.025 1.00 0.00 H new ATOM 0 HA ILE A 98 -6.518 -6.376 -1.326 1.00 0.00 H new ATOM 0 HB ILE A 98 -6.254 -3.717 -0.018 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -5.704 -5.115 1.820 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -7.399 -4.703 1.990 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -8.701 -3.924 0.086 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -8.084 -4.081 -1.576 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -8.592 -5.529 -0.675 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -7.036 -7.112 2.423 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -8.046 -6.885 0.975 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -6.325 -7.304 0.803 1.00 0.00 H new ATOM 1572 N GLU A 99 -5.969 -5.155 -3.348 1.00 0.00 N ATOM 1573 CA GLU A 99 -5.591 -4.533 -4.606 1.00 0.00 C ATOM 1574 C GLU A 99 -6.516 -3.354 -4.914 1.00 0.00 C ATOM 1575 O GLU A 99 -7.646 -3.305 -4.432 1.00 0.00 O ATOM 1576 CB GLU A 99 -5.602 -5.553 -5.747 1.00 0.00 C ATOM 1577 CG GLU A 99 -4.549 -5.207 -6.801 1.00 0.00 C ATOM 1578 CD GLU A 99 -5.045 -5.554 -8.206 1.00 0.00 C ATOM 1579 OE1 GLU A 99 -5.561 -6.660 -8.426 1.00 0.00 O ATOM 1580 OE2 GLU A 99 -4.881 -4.627 -9.088 1.00 0.00 O ATOM 0 H GLU A 99 -6.735 -5.825 -3.417 1.00 0.00 H new ATOM 0 HA GLU A 99 -4.573 -4.155 -4.511 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -5.411 -6.550 -5.350 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -6.589 -5.577 -6.208 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -4.311 -4.145 -6.748 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -3.628 -5.751 -6.592 1.00 0.00 H new ATOM 1588 N PHE A 100 -6.001 -2.434 -5.716 1.00 0.00 N ATOM 1589 CA PHE A 100 -6.766 -1.258 -6.095 1.00 0.00 C ATOM 1590 C PHE A 100 -6.383 -0.783 -7.498 1.00 0.00 C ATOM 1591 O PHE A 100 -5.289 -1.075 -7.979 1.00 0.00 O ATOM 1592 CB PHE A 100 -6.426 -0.159 -5.086 1.00 0.00 C ATOM 1593 CG PHE A 100 -4.987 0.352 -5.184 1.00 0.00 C ATOM 1594 CD1 PHE A 100 -4.594 1.073 -6.268 1.00 0.00 C ATOM 1595 CD2 PHE A 100 -4.101 0.085 -4.187 1.00 0.00 C ATOM 1596 CE1 PHE A 100 -3.259 1.547 -6.359 1.00 0.00 C ATOM 1597 CE2 PHE A 100 -2.766 0.560 -4.278 1.00 0.00 C ATOM 1598 CZ PHE A 100 -2.373 1.281 -5.362 1.00 0.00 C ATOM 0 H PHE A 100 -5.063 -2.479 -6.114 1.00 0.00 H new ATOM 0 HA PHE A 100 -7.831 -1.492 -6.098 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -7.109 0.678 -5.232 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -6.598 -0.539 -4.079 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -5.297 1.285 -7.060 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -4.413 -0.488 -3.326 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -2.947 2.119 -7.220 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -2.063 0.349 -3.486 1.00 0.00 H new ATOM 0 HZ PHE A 100 -1.358 1.642 -5.431 1.00 0.00 H new ATOM 1608 N LYS A 101 -7.305 -0.058 -8.115 1.00 0.00 N ATOM 1609 CA LYS A 101 -7.077 0.461 -9.453 1.00 0.00 C ATOM 1610 C LYS A 101 -7.775 1.815 -9.595 1.00 0.00 C ATOM 1611 O LYS A 101 -8.829 2.040 -9.002 1.00 0.00 O ATOM 1612 CB LYS A 101 -7.505 -0.565 -10.505 1.00 0.00 C ATOM 1613 CG LYS A 101 -9.027 -0.593 -10.657 1.00 0.00 C ATOM 1614 CD LYS A 101 -9.428 -0.908 -12.099 1.00 0.00 C ATOM 1615 CE LYS A 101 -10.820 -0.356 -12.414 1.00 0.00 C ATOM 1616 NZ LYS A 101 -11.850 -1.399 -12.207 1.00 0.00 N ATOM 0 H LYS A 101 -8.211 0.182 -7.713 1.00 0.00 H new ATOM 0 HA LYS A 101 -6.013 0.631 -9.621 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -7.045 -0.322 -11.463 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -7.146 -1.554 -10.220 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -9.449 -1.341 -9.987 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -9.443 0.370 -10.362 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -8.698 -0.478 -12.785 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -9.416 -1.987 -12.256 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -11.030 0.503 -11.776 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -10.853 -0.003 -13.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -12.789 -1.008 -12.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -11.657 -2.206 -12.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -11.829 -1.716 -11.217 1.00 0.00 H new ATOM 1629 N CYS A 102 -7.158 2.682 -10.385 1.00 0.00 N ATOM 1630 CA CYS A 102 -7.707 4.008 -10.614 1.00 0.00 C ATOM 1631 C CYS A 102 -8.592 3.953 -11.860 1.00 0.00 C ATOM 1632 O CYS A 102 -8.135 3.567 -12.934 1.00 0.00 O ATOM 1633 CB CYS A 102 -6.605 5.061 -10.742 1.00 0.00 C ATOM 1634 SG CYS A 102 -7.293 6.605 -11.444 1.00 0.00 S ATOM 0 H CYS A 102 -6.283 2.492 -10.874 1.00 0.00 H new ATOM 0 HA CYS A 102 -8.308 4.309 -9.756 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -6.166 5.260 -9.765 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -5.805 4.686 -11.381 1.00 0.00 H new ATOM 0 HG CYS A 102 -6.349 7.493 -11.547 1.00 0.00 H new ATOM 1640 N LEU A 103 -9.844 4.346 -11.675 1.00 0.00 N ATOM 1641 CA LEU A 103 -10.798 4.347 -12.771 1.00 0.00 C ATOM 1642 C LEU A 103 -10.430 5.454 -13.761 1.00 0.00 C ATOM 1643 O LEU A 103 -10.915 5.467 -14.891 1.00 0.00 O ATOM 1644 CB LEU A 103 -12.228 4.450 -12.237 1.00 0.00 C ATOM 1645 CG LEU A 103 -12.579 3.517 -11.076 1.00 0.00 C ATOM 1646 CD1 LEU A 103 -13.697 4.110 -10.215 1.00 0.00 C ATOM 1647 CD2 LEU A 103 -12.928 2.117 -11.584 1.00 0.00 C ATOM 0 H LEU A 103 -10.220 4.666 -10.782 1.00 0.00 H new ATOM 0 HA LEU A 103 -10.753 3.404 -13.316 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -12.402 5.477 -11.917 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -12.917 4.251 -13.058 1.00 0.00 H new ATOM 0 HG LEU A 103 -11.700 3.418 -10.439 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -13.927 3.427 -9.397 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -13.373 5.068 -9.808 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -14.587 4.258 -10.826 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -13.173 1.474 -10.739 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -13.785 2.177 -12.255 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -12.075 1.701 -12.120 1.00 0.00 H new